0 B11R1.91 CC(=O)CSC1=CC=CC=C1 OR8634 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(N)CCC1=CC=CC=C1 OR5082 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 CN(C)CCC1=NC=CC=C1 OR28892 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.91 C[C@@H](O)CCC1=CC=CC=C1 OR304056 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.91 N=C(N)COC1=CC=CC=C1 OR29775 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 N=C(N)CSC1=CC=CC=C1 OR29804 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.91 NC(=O)NCC1=CC=CN=C1 OR61328 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 NC(=O)OCC1=CC=CC=C1 OR40596 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.91 NC(=S)NCC1=CC=CC=C1 OR4845 [0,0,0,0,0,0|2,1,0]=3 9 B11R1.91 NC(N)=NCC1=CC=CC=C1 OR61212 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 OR28743 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.91 O=C(O)C#CC1=CC=CN=C1 OR470617 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.91 O=C(O)C=CC1=CC=CC=N1 OR6591 [0,0,0,0,0,0|1,0,2]=3 13 B11R1.91 O=C(O)CCC1=CC=CC=C1 OR10046 [0,0,0,0,0,0|0,0,0]=0 14 B11R1.91 O=C(O)CCC1=CC=CN=C1 OR0840 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.91 O=C(O)CCC1=CC=NC=C1 OR1370 [0,0,0,0,0,0|1,0,0]=1 16 B11R1.91 O=C(O)COC1=CN=CC=C1 OR300774 [0,0,0,0,0,0|2,0,0]=2 17 B11R1.91 O=C(O)CSC1=CC=NC=C1 OR18288 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 OR2364 [0,0,0,0,0,0|0,0,2]=2 19 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 OR30410 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 OR6984 [0,0,0,0,0,0|1,0,2]=3 21 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 OR51907 [0,0,0,0,0,0|1,0,3]=4 22 B11R1.91 OB(O)CCC1=CC=CC=C1 OR4006 [0,0,0,0,0,0|1,0,1]=2 23 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 OR10578 [0,0,0,0,0,0|1,0,3]=4 24 B10R1.17 BrCCCC1=CC=CC=C1 OR10084 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.17 BrCCOC1=CC=CC=C1 OR0698 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 C#CCOC1=CC=CC=C1 OR25609 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 C=CCCC1=CC=CC=C1 OR51831 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.17 CCNCC1=CC=CC=C1 OR5309 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 CNCCC1=CC=NC=C1 OR12592 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 CNCCC1=NC=CC=C1 OR22222 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 ClCCSC1=CC=CC=C1 OR10842 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.17 N#CCOC1=CC=CC=C1 OR27351 [1,0,0,0,0,0|2,0,1]=4 33 B10R1.17 NCCCC1=CC=CC=C1 OR5083 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 NCCOC1=CC=CC=C1 OR27353 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.17 O=C=NCC1=CC=CC=C1 OR30456 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.17 O=CC#CC1=CC=CC=C1 OR322250 [1,0,0,0,0,0|0,0,2]=3 37 B10R1.17 O=CC=CC1=CC=CC=C1 OR55404 [1,0,0,0,0,0|0,0,2]=3 38 B10R1.17 O=C\C=C\C1=CC=CC=C1 OR9517 [1,0,0,0,0,0|0,0,2]=3 39 B10R1.17 OCC#CC1=CC=CC=C1 OR5529 [1,0,0,0,0,0|0,0,3]=4 40 B10R1.17 OCCNC1=CC=CC=C1 OR42170 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.17 OCCOC1=CC=CC=C1 OR4481 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.17 S=C=NCC1=CC=CC=C1 OR3098 [1,0,0,0,0,0|1,1,1]=4 43 B10R1.17 [O-]CCNC1=CC=CC=C1 OR55494 [1,0,0,0,0,0|1,0,2]=4 44 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 OR28913 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 OR26023 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 OR3036 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.21 CC(=O)NNC1=CC=C(Br)C=C1 OR40620 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 OR4248 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 OR18348 [0,1,0,0,0,0|0,0,2]=3 50 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 OR9863 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 OR0272 [0,1,0,0,0,0|3,0,0]=4 52 B12R1.21 NC1=CC=C(C=CC(=O)O)C=C1 OR11317 [0,1,0,0,0,0|0,0,2]=3 53 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 OR4789 [0,1,0,0,0,0|0,0,0]=1 54 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 OR5894 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 OR52691 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 OR3085 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 OR7880 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 OR6478 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 OR6534 [0,1,0,0,0,0|0,0,0]=1 60 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 OR957092 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 OR46027 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 OR6580 [0,1,0,0,0,0|0,0,2]=3 63 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 OR6578 [0,1,0,0,0,0|0,0,2]=3 64 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 OR55198 [0,1,0,0,0,0|0,0,2]=3 65 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 OR315220 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.27 C#CC(O)CCC1=CC=CC=C1 OR52547 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 OR30622 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.27 COC(=O)CCC1=CC=CC=C1 OR30978 [0,1,0,0,0,0|0,0,0]=1 69 B12R1.27 N#CC(=O)\C=C\C1=CC=CC=C1 OR1985 [0,1,0,0,0,0|1,0,2]=4 70 B12R1.27 NNC(=O)OCC1=CC=CC=C1 OR7846 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.27 NNC(=S)NCC1=CC=CC=C1 OR3584 [0,1,0,0,0,0|2,1,0]=4 72 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 OR10827 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 OR4110 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O OR18022 [0,1,0,0,0,0|0,0,1]=2 75 B12R1.43 CC(=O)N(C)CC1=CC=CN=C1 OR30154 [0,1,0,0,0,0|3,0,0]=4 76 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O OR12736 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 OR964553 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O OR14725 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O OR14723 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O OR14721 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.43 N[C@@H](CC1=NC=CC=C1)C(=O)O OR70012 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O OR0702 [0,1,0,0,0,0|0,0,0]=1 83 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O OR14726 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O OR14724 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O OR55414 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O OR14722 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 OR14807 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 OR12814 [0,1,0,0,0,0|1,0,1]=3 89 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 OR12706 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 OR29067 [0,1,0,0,0,0|0,0,2]=3 91 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 OR13352 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.107 O=C(O)C=C(Br)C1=CC=CC=C1 OR26299 [0,1,0,0,0,0|0,0,2]=3 93 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 OR13560 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl OR25346 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.125 N=C(N)COC1=CC=CC=C1Cl OR29776 [0,1,0,0,0,0|3,0,0]=4 96 B12R1.125 O=C(Cl)C=CC1=C(Cl)C=CC=C1 OR0067 [0,1,0,0,0,0|1,0,2]=4 97 B12R1.125 O=C(O)C=CC1=C(Cl)C=CC=C1 OR0066 [0,1,0,0,0,0|0,0,2]=3 98 B12R1.125 O=C(O)C=CC1=C(O)C=CC=C1 OR40640 [0,1,0,0,0,0|0,0,2]=3 99 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 OR3083 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.125 O=C(O)CCC1=CC=CC=C1I OR6479 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.226 CC(=O)C=CC1=CC(Cl)=CC=C1 OR24012 [0,1,0,0,0,0|1,0,2]=4 102 B12R1.226 N=C(N)NCC1=CC=CC(Br)=C1 OR6468 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.226 N=C(N)NCC1=CC=CC(I)=C1 OR6467 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 OR8979 [0,1,0,0,0,0|0,0,0]=1 105 B12R1.226 O=C(O)C=CC1=CC(Br)=CC=C1 OR6579 [0,1,0,0,0,0|0,0,2]=3 106 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 OR3084 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.226 O=C(O)CCC1=CC(I)=CC=C1 OR17663 [0,1,0,0,0,0|0,0,0]=1 108 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 OR13022 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 OR6577 [0,1,0,0,0,0|0,0,2]=3 110 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 OR5957 [0,1,0,0,0,0|0,0,2]=3 111 B12R1.891 CS(=O)(=O)SCC1=CC=CC=C1 OR8550T [0,1,0,0,0,0|2,0,1]=4 112 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 OR8834 [0,1,0,0,0,0|2,0,0]=3 113 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 OR7098 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.24 CC1CNC2=CC=CC=C2O1 OR40370 [0,0,0,1,0,0|2,0,1]=4 115 B12R2.24 O=C1CCC2=C(C=CC=C2)N1 OR4829 [0,0,0,1,0,0|1,0,0]=2 116 B12R2.24 O=C1CCC2=CC=CN=C2N1 OR16683 [0,0,0,1,0,0|2,0,0]=3 117 B12R2.24 O=C1COC2=CC=CN=C2N1 OR9861 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.24 O=C1CSC2=CC=CC=C2N1 OR7000 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.24 OC1=CC2=C(C=CC=C2)C=N1 OR1224 [0,0,0,1,0,0|2,0,1]=4 120 B12R2.24 OC1=NC2=CC=CC=C2C=C1 OR18280 [0,0,0,1,0,0|1,0,2]=4 121 B12R2.24 OC1=NC2=CC=CC=C2N=C1 OR11198 [0,0,0,1,0,0|2,0,1]=4 122 B12R2.24 S=C1COC2=C(C=CC=C2)N1 OR4833 [0,0,0,1,0,0|2,1,0]=4 123 B10R1.18 CC(=O)CC1=NC=CC=C1 OR302235 [0,0,0,0,1,0|2,0,0]=3 124 B10R1.18 CC(=O)NC1=CC=CN=C1 OR21124 [0,0,0,0,1,0|3,0,0]=4 125 B10R1.18 CC(=O)OC1=CC=CC=C1 OR5316 [0,0,0,0,1,0|2,0,0]=3 126 B10R1.18 CC(=S)NC1=CC=CC=C1 OR53074 [0,0,0,0,1,0|2,1,0]=4 127 B10R1.18 CC(Br)CC1=CC=CC=C1 OR323250 [0,0,0,0,1,0|2,0,1]=4 128 B10R1.18 CC(C)=CC1=CC=CC=C1 OR30976 [0,0,0,0,1,0|2,0,1]=4 129 B10R1.18 CC(C)CC1=CC=CC=C1 OR22170 [0,0,0,0,1,0|2,0,1]=4 130 B10R1.18 CC(O)CC1=CC=CC=C1 OR8956 [0,0,0,0,1,0|1,0,1]=3 131 B10R1.18 CN(C)CC1=CC=CC=C1 OR54497 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 OR150 [0,0,0,0,1,0|1,0,1]=3 133 B10R1.18 NC(=O)CC1=CC=CC=C1 OR0700 [0,0,0,0,1,0|1,0,0]=2 134 B10R1.18 NC(=O)NC1=NC=CC=C1 OR0956 [0,0,0,0,1,0|3,0,0]=4 135 B10R1.18 NC(N)=NC1=CC=CC=C1 OR8070 [0,0,0,0,1,0|3,0,0]=4 136 B10R1.18 O=C(Cl)CC1=CC=CC=C1 OR2206 [0,0,0,0,1,0|1,0,0]=2 137 B10R1.18 O=C(O)CC1=CC=CN=C1 OR5061 [0,0,0,0,1,0|1,0,0]=2 138 B10R1.18 O=C(O)CC1=CC=CN=C1 OR6262 [0,0,0,0,1,0|1,0,0]=2 139 B10R1.18 O=C(O)CC1=CC=NC=C1 OR313081 [0,0,0,0,1,0|1,0,0]=2 140 B10R1.18 O=C(O)CC1=CN=CN=C1 OR17835 [0,0,0,0,1,0|2,0,0]=3 141 B10R1.18 O=C(O)CC1=NC=CC=C1 OR20009 [0,0,0,0,1,0|1,0,0]=2 142 B10R1.18 O=C(O)CC1=NC=CN=C1 OR313069 [0,0,0,0,1,0|2,0,0]=3 143 B10R1.18 OB(O)CC1=CC=CC=C1 OR6221 [0,0,0,0,1,0|1,0,1]=3 144 B10R1.66 CC(=O)OC=C1C=CC=C1 OR321296 [0,0,0,0,1,0|2,0,1]=4 145 B10R1.66 CC(=O)OCC1=CC=CO1 OR6041 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.66 O=C(O)C=CC1=CC=CO1 OR6587 [0,0,0,0,1,0|1,0,2]=4 147 B10R1.66 O=C(O)C=CC1=CC=CS1 OR6589 [0,0,0,0,1,0|1,0,2]=4 148 B10R1.66 O=C(O)C=CC1=CSC=C1 OR6590 [0,0,0,0,1,0|1,0,2]=4 149 B10R1.66 O=C(O)CCC1=CC=CO1 OR3886 [0,0,0,0,1,0|1,0,0]=2 150 B10R1.66 O=C(O)CCC1=CNC=N1 OR4318 [0,0,0,0,1,0|2,0,0]=3 151 B10R1.66 O=C(O)CCN1C=CN=C1 OR14498 [0,0,0,0,1,0|2,0,0]=3 152 B10R1.66 O=C(O)CCN1C=NC=N1 OR7108 [0,0,0,0,1,0|3,0,0]=4 153 B12R1.252 O=C(O)CCCC1=CC=CC=C1 OR2390 [0,0,0,0,0,1|0,0,0]=1 154 B12R1.252 O=C(O)CCOC1=CC=CC=C1 OR13898 [0,0,0,0,0,1|0,0,0]=1 155 B12R1.252 O=C(O)CNCC1=CC=CC=C1 OR2793 [0,0,0,0,0,1|0,0,0]=1 156 B12R1.252 O=C(O)COCC1=CC=CC=C1 OR17515 [0,0,0,0,0,1|0,0,0]=1 157 B9R1.8 BrCCC1=CC=CC=C1 OR46084 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320066 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.8 Br[Mg]CC1=CC=CC=C1 OR320067 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 CCCC1=CC=NC=C1 OR13622 [2,0,0,0,0,0|1,0,1]=4 161 B9R1.8 CCNC1=CC=CC=C1 OR8988 [2,0,0,0,0,0|1,0,1]=4 162 B9R1.8 CNCC1=CC=CC=C1 OR12500 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.8 ClCCC1=NC=CC=C1 OR303592 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 ClCSC1=CC=CC=C1 OR0789 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 Cl[Mg]CC1=CC=CC=C1 OR320070 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.8 N#CCC1=CC=CC=C1 OR5457 [2,0,0,0,0,0|1,0,1]=4 167 B9R1.8 NCCC1=CC=NC=C1 OR2022 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.8 NCCC1=NC=CC=C1 OR28599 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.8 NNCC1=CC=CC=C1 OR5636 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.8 NOCC1=CC=CC=C1 OR15742 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.8 NOCC1=CC=CC=C1 OR30224 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.8 OCCC1=CC=CN=C1 OR0520 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.8 OCCC1=CC=NC=C1 OR13623 [2,0,0,0,0,0|1,0,0]=3 174 B9R1.8 OCCC1=NC=CC=C1 OR13610 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 ONCC1=CC=CC=C1 OR51891 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.8 O\N=C\C1=CC=CC=C1 OR4290 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.8 SCCC1=CC=NC=C1 OR8898 [2,0,0,0,0,0|1,1,0]=4 178 B9R1.8 SCCC1=NC=CC=C1 OR305591 [2,0,0,0,0,0|1,1,0]=4 179 B11R0.148 C\C=C\C=C\C=C\C=C\C(=O)O OR2255T [0,1,1,0,0,0|0,0,2]=4 180 B11R1.1 C=CCCC1=CC=C(Br)C=C1 OR01869 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.1 C=CCCC1=CC=C(C)C=C1 OR01923 [1,1,0,0,0,0|1,0,0]=3 182 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 OR01895 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.1 CCCCC1=CC=C(Br)C=C1 OR1467 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.1 CCCCC1=CC=C(Cl)C=C1 OR3170 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.1 CCCCC1=CC=C(O)C=C1 OR22100 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.1 ClCCCC1=CC=C(Cl)C=C1 OR1591 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.1 N#CCCC1=CC=C(Br)C=C1 OR3087 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.1 N#CCCC1=CC=C(O)C=C1 OR28168 [1,1,0,0,0,0|1,0,1]=4 189 B11R1.1 OCCCC1=CC=C(Br)C=C1 OR311243 [1,1,0,0,0,0|0,0,1]=3 190 B11R1.1 OCCCC1=CC=C(Cl)C=C1 OR0287 [1,1,0,0,0,0|0,0,1]=3 191 B11R1.1 OCCSC1=CC=C(Cl)C=C1 OR15484 [1,1,0,0,0,0|1,0,1]=4 192 B11R1.16 C#CCC(N)C1=CC=CC=C1 OR14851 [1,1,0,0,0,0|1,0,1]=4 193 B11R1.16 CC(NC=O)C1=CC=CC=N1 OR01596 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.16 CC(NC=O)C1=CC=CN=C1 OR01595 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.16 COC[C@H](N)C1=CC=CC=C1 OR316004 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.16 N#CCC(O)C1=CC=CC=C1 OR2846 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.16 NC(CCO)C1=CC=CC=C1 OR43504 [1,1,0,0,0,0|0,0,1]=3 198 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 OR24573 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.17 C=CCCC1=CC=CC=C1Cl OR01877 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.17 NC1=C(NCCO)C=CC=C1 OR40747 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.17 OCCOC1=C(O)C=CC=C1 OR59806 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.24 C=CCCC1=CC=CC(Br)=C1 OR01861 [1,1,0,0,0,0|1,0,0]=3 203 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 OR01885 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.24 N#CCCC1=CC(Br)=CC=C1 OR3086 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.28 BrCCCCC1=CC=CC=C1 OR8178 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.28 C#CCCCC1=CC=CC=C1 OR5277 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.28 C=CCNCC1=CC=CC=C1 OR906976 [1,1,0,0,0,0|1,0,0]=3 208 B11R1.28 CCCCNC1=CC=CC=C1 OR18275 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.28 CNCCCC1=CC=CC=C1 OR12552 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.28 CNCCOC1=CC=CC=C1 OR0179 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.28 ClCCNCC1=CC=CC=C1 OR24839 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.28 NCCCCC1=CC=CC=C1 OR5084 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.28 NCCNCC1=CC=CC=C1 OR28924 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.28 NCCOCC1=CC=CC=C1 OR14357 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.28 NCCOCC1=CC=CC=C1 OR51851 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.28 NOCCOC1=CC=CC=C1 OR12930 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.28 O=C=NCCC1=CC=CC=C1 OR11236 [1,1,0,0,0,0|0,0,1]=3 218 B11R1.28 O=CCOCC1=CC=CC=C1 OR43518 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.28 OCCCCC1=CC=CC=C1 OR0769 [1,1,0,0,0,0|0,0,1]=3 220 B11R1.28 ON=CC=CC1=CC=CC=C1 OR0305 [1,1,0,0,0,0|0,0,2]=4 221 B11R1.40 NCC(O)CC1=CC=CC=C1 OR12967 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 OR8744 [1,1,0,0,0,0|0,0,1]=3 223 B11R1.20 C=C(Br)CC1=CC=C(Cl)C=C1 OR01898 [0,1,0,0,1,0|2,0,0]=4 224 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 OR7000T [0,1,0,0,1,0|2,0,0]=4 225 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 OR4282 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 OR4345 [0,1,0,0,1,0|2,0,0]=4 227 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 OR2193 [0,1,0,0,1,0|2,0,0]=4 228 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 OR28660 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 OR3962 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 OR0782 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 OR10836 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 OR4365 [0,1,0,0,1,0|0,0,0]=2 233 B11R1.20 CC1=CC=C(OC(=O)Cl)C=C1 OR1994 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 OR346285 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 OR28890 [0,1,0,0,1,0|1,0,0]=3 236 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 OR61200 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 OR24099 [0,1,0,0,1,0|1,1,0]=4 238 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 OR10955 [0,1,0,0,1,0|0,0,0]=2 239 B11R1.20 NC1=CC=C(CC(=O)O)C=N1 OR305409 [0,1,0,0,1,0|1,0,0]=3 240 B11R1.20 O=C(Cl)OC1=CC=C(Br)C=C1 OR18595 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 OR13039 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 OR30163 [0,1,0,0,1,0|0,0,0]=2 243 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 OR5937 [0,1,0,0,1,0|0,0,0]=2 244 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 OR5988 [0,1,0,0,1,0|0,0,0]=2 245 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 OR2190 [0,1,0,0,1,0|1,0,0]=3 246 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 OR70028 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 OR13658 [0,1,0,0,1,0|0,0,1]=3 248 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 OR470879 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 OR2976 [0,1,0,0,1,0|0,0,0]=2 250 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 OR316044 [0,1,0,0,1,0|1,0,0]=3 251 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 OR316055 [0,1,0,0,1,0|1,0,0]=3 252 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 OR19581 [0,1,0,0,1,0|0,0,0]=2 253 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 OR5480 [0,1,0,0,1,0|1,0,0]=3 254 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 OR350055 [0,1,0,0,1,0|0,0,1]=3 255 B11R1.36 O=C(O)C(Br)C1=CC=CC=C1 OR350067 [0,1,0,0,1,0|0,0,0]=2 256 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 OR5460 [0,1,0,0,1,0|0,0,0]=2 257 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 OR18332 [0,1,0,0,1,0|0,0,0]=2 258 B11R1.86 CC(=O)CC1=CC=CC=C1Cl OR23885 [0,1,0,0,1,0|1,0,0]=3 259 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 OR4339 [0,1,0,0,1,0|2,0,0]=4 260 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 OR4696 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.86 CC(=O)NC1=C(Cl)C=CC=C1 OR7655 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.86 CC(=O)NC1=C(N)C=CC=C1 OR0008 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 OR3986 [0,1,0,0,1,0|0,0,0]=2 264 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 OR11296 [0,1,0,0,1,0|0,0,0]=2 265 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 OR3987 [0,1,0,0,1,0|0,0,0]=2 266 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 OR5987 [0,1,0,0,1,0|0,0,0]=2 267 B11R1.86 O=C(O)CC1=CC=CC=C1I OR26135 [0,1,0,0,1,0|0,0,0]=2 268 B11R1.86 O=C(O)CC1=CC=CN=C1Cl OR40337 [0,1,0,0,1,0|1,0,0]=3 269 B11R1.86 O=[N+]([O-])CC1=CC=CC=C1Cl OR54389 [0,1,0,0,1,0|1,0,1]=4 270 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 OR30419 [0,1,0,0,1,0|2,0,0]=4 271 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 OR27724 [0,1,0,0,1,0|2,0,0]=4 272 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 OR4364 [0,1,0,0,1,0|0,0,0]=2 273 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 OR4815 [0,1,0,0,1,0|0,0,0]=2 274 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 OR54426 [0,1,0,0,1,0|1,0,0]=3 275 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 OR3074 [0,1,0,0,1,0|0,0,0]=2 276 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 OR5991 [0,1,0,0,1,0|0,0,0]=2 277 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 OR18733 [0,1,0,0,1,0|0,0,0]=2 278 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 OR0537 [0,1,0,0,1,0|0,0,0]=2 279 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 OR1877 [0,1,0,0,1,0|1,0,1]=4 280 B11R1.509 O=P(O)(O)CC1=CC=CC=C1 OR10673 [0,1,0,0,1,0|1,0,0]=3 281 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 OR5369 [0,1,0,0,1,0|1,0,1]=4 282 B11R1.25 COC(=O)CCC1=CC=CN1 OR302239 [0,1,0,0,1,0|1,0,0]=3 283 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O OR14738 [0,1,0,0,1,0|1,0,0]=3 284 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O OR14732 [0,1,0,0,1,0|1,0,0]=3 285 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O OR14734 [0,1,0,0,1,0|1,0,0]=3 286 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O OR14715 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O OR14739 [0,1,0,0,1,0|1,0,0]=3 288 B11R1.35 N[C@H](CC1=CSC=N1)C(=O)O OR14716 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.77 NC(CC(=O)O)C1=CC=CO1 OR13343 [0,1,0,0,1,0|1,0,0]=3 290 B13R1.45 O=C(O)C=CC(=O)C1=CC=CC=C1 OR24077 [0,1,0,0,0,1|0,0,2]=4 291 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 OR6625 [0,1,0,0,0,1|0,0,0]=2 292 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O OR14697 [0,1,0,0,0,1|0,0,0]=2 293 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O OR14698 [0,1,0,0,0,1|0,0,0]=2 294 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 OR9775 [0,1,0,0,0,1|0,0,0]=2 295 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 OR28212 [0,1,0,0,0,1|0,0,2]=4 296 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 OR43526 [0,1,0,0,0,1|0,0,0]=2 297 B13R1.513 O=C(O)CCNC1=CC=C(Cl)N=N1 OR14947 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.513 O=C(O)CCOC1=CC=C(Br)C=C1 OR962585 [0,1,0,0,0,1|0,0,0]=2 299 B13R1.718 CC(CO)COCC1=CC=CC=C1 OR8171 [0,1,0,0,0,1|1,0,1]=4 300 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR307134 [0,1,0,0,0,1|1,0,1]=4 301 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 OR40516 [0,1,0,0,0,1|1,0,1]=4 302 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR307133 [0,1,0,0,0,1|1,0,1]=4 303 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 OR40517 [0,1,0,0,0,1|1,0,1]=4 304 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 OR13488 [0,1,0,0,0,1|1,0,0]=3 305 B13R1.718 OCC(O)COCC1=CC=CC=C1 OR7701T [0,1,0,0,0,1|0,0,2]=4 306 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 OR315177 [0,1,0,0,0,1|0,0,2]=4 307 B13R1.3 COC1=CC=C(C=CC(=O)O)C=C1 OR6574 [0,2,0,0,0,0|0,0,2]=4 308 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 OR13167 [0,2,0,0,0,0|0,0,2]=4 309 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 OR6585 [0,2,0,0,0,0|0,0,2]=4 310 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 OR16415 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 OR2186 [0,2,0,0,0,0|0,0,2]=4 312 B13R1.14 COC(=O)C=CC1=CC=C(O)C=C1 OR14414 [0,2,0,0,0,0|0,0,2]=4 313 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 OR15501 [0,2,0,0,0,0|0,0,2]=4 314 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 OR12181 [0,2,0,0,0,0|2,0,0]=4 315 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 OR13179 [0,2,0,0,0,0|2,0,0]=4 316 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 OR12581 [0,2,0,0,0,0|1,0,1]=4 317 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 OR13344 [0,2,0,0,0,0|0,0,0]=2 318 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 OR25614 [0,2,0,0,0,0|0,0,0]=2 319 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 OR110036 [0,2,0,0,0,0|0,0,0]=2 320 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O OR40318 [0,2,0,0,0,0|0,0,0]=2 321 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 OR14704 [0,2,0,0,0,0|0,0,0]=2 322 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR14703 [0,2,0,0,0,0|0,0,0]=2 323 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 OR14730 [0,2,0,0,0,0|0,0,0]=2 324 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O OR14695 [0,2,0,0,0,0|0,0,0]=2 325 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O OR14691 [0,2,0,0,0,0|0,0,0]=2 326 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O OR9515 [0,2,0,0,0,0|0,0,0]=2 327 B13R1.133 N[C@H](CC1=CC=C(Br)C=C1)C(=O)O OR14696 [0,2,0,0,0,0|0,0,0]=2 328 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O OR14692 [0,2,0,0,0,0|0,0,0]=2 329 B13R1.133 N[C@H](CC1=CC=C(I)C=C1)C(=O)O OR14729 [0,2,0,0,0,0|0,0,0]=2 330 B13R1.133 O=C(O)C(O)CC1=CC=C(Cl)C=C1 OR471447 [0,2,0,0,0,0|0,0,0]=2 331 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(Br)C=C1 OR471446 [0,2,0,0,0,0|0,0,0]=2 332 B13R1.164 CC1=CC(C)=C(C=CC(=O)O)C=C1 OR14481 [0,2,0,0,0,0|0,0,2]=4 333 B13R1.164 O=C(Cl)COC1=C(Cl)C=C(Cl)C=C1 OR2440 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl OR29293 [0,2,0,0,0,0|0,0,0]=2 335 B13R1.164 O=C(O)COC1=C(Br)C=C(Br)C=C1 OR0124 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 OR8283 [0,2,0,0,0,0|0,0,2]=4 337 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 OR21175 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.511 O=C(O)C=CC1=CC(Cl)=C(Cl)C=C1 OR21168 [0,2,0,0,0,0|0,0,2]=4 339 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 OR1165 [0,2,0,0,0,0|0,0,2]=4 340 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 OR4128 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 OR17914 [0,2,0,0,0,0|0,0,0]=2 342 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 OR346330 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 OR14083 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 OR2049 [0,2,0,0,0,0|2,0,0]=4 345 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 OR471312 [0,2,0,0,0,0|0,0,0]=2 346 B13R1.254 C#CC(C)(O)CCC1=CC=CC=C1 OR13227 [0,2,0,0,0,0|1,0,1]=4 347 B13R1.528 NNC(=O)COC1=CC=CC=C1Cl OR11077 [0,2,0,0,0,0|2,0,0]=4 348 B13R1.148 CC1=CC=CC(C[C@@H](N)C(=O)O)=C1 OR14702 [0,2,0,0,0,0|0,0,0]=2 349 B13R1.148 CC1=CC=CC(C[C@H](N)C(=O)O)=C1 OR14701 [0,2,0,0,0,0|0,0,0]=2 350 B13R1.148 NC(CC1=CC(O)=CC=C1)C(=O)O OR8975 [0,2,0,0,0,0|0,0,0]=2 351 B13R1.148 N[C@@H](CC1=CC(Cl)=CC=C1)C(=O)O OR14689 [0,2,0,0,0,0|0,0,0]=2 352 B13R1.148 N[C@H](CC1=CC(Cl)=CC=C1)C(=O)O OR14690 [0,2,0,0,0,0|0,0,0]=2 353 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 OR52324 [0,2,0,0,0,0|0,0,0]=2 354 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O OR315015 [0,2,0,0,0,0|0,0,0]=2 355 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 OR14700 [0,2,0,0,0,0|0,0,0]=2 356 B13R1.202 CC1=C(C[C@H](N)C(=O)O)C=CC=C1 OR14699 [0,2,0,0,0,0|0,0,0]=2 357 B13R1.202 N[C@@H](CC1=C(Br)C=CC=C1)C(=O)O OR14693 [0,2,0,0,0,0|0,0,0]=2 358 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O OR14687 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.202 N[C@H](CC1=C(Br)C=CC=C1)C(=O)O OR14694 [0,2,0,0,0,0|0,0,0]=2 360 B13R1.202 N[C@H](CC1=C(Cl)C=CC=C1)C(=O)O OR14688 [0,2,0,0,0,0|0,0,0]=2 361 B13R1.353 N[C@@H](CC1=CC=CC=C1)P(=O)(O)O OR0919 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.353 N[C@H](CC1=CC=CC=C1)P(=O)(O)O OR0920 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 OR110160 [0,2,0,0,0,0|0,0,0]=2 364 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 OR0456 [0,2,0,0,0,0|2,0,0]=4 365 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 OR30977 [0,2,0,0,0,0|0,0,0]=2 366 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 OR5366 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 OR13459 [0,2,0,0,0,0|0,0,0]=2 368 B13R1.90 C=C(C)CCC1=CC=CC=C1C#N OR01943 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.90 COC1=C(C=CC(=O)O)C=CC=C1 OR21169 [0,2,0,0,0,0|0,0,2]=4 370 B13R1.90 O=CC1=C(\C=C\C(=O)O)C=CC=C1 OR4818 [0,2,0,0,0,0|0,0,2]=4 371 B13R1.150 CC1=CC=CC(OCC(=O)O)=C1C OR2059 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.150 O=C(O)COC1=C(Cl)C(Cl)=CC=C1 OR2411 [0,2,0,0,0,0|1,0,0]=3 373 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1Cl OR14432 [0,2,0,0,0,0|0,0,2]=4 374 B13R1.157 CC(C)(O)CCC1=CC=CC=C1O OR25416 [0,2,0,0,0,0|1,0,1]=4 375 B13R1.893 O=C(O)\C=C\C1=C(Cl)C=CC(Cl)=C1 OR12077 [0,2,0,0,0,0|0,0,2]=4 376 B13R1.643 COC1=CC=CC(C=CC(=O)O)=C1 OR6573 [0,2,0,0,0,0|0,0,2]=4 377 B13R1.3420 O=C(O)C=CC1=CC(Cl)=CC(Cl)=C1 OR29254 [0,2,0,0,0,0|0,0,2]=4 378 B13R1.3420 O=C(O)CSC1=CC(Cl)=NC(Cl)=C1 OR5558 [0,2,0,0,0,0|2,0,0]=4 379 B11R2.1 CN1CCC2=CC=CC=C21 OR346348 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.1 NC1=NCC2=CC=CC=C21 OR28157 [1,0,0,1,0,0|2,0,0]=4 381 B11R2.1 NC1CCC2=C1C=CC=C2 OR11114 [1,0,0,1,0,0|1,0,1]=4 382 B11R2.1 NC1CCC2=CC=CC=C21 OR3610 [1,0,0,1,0,0|1,0,1]=4 383 B11R2.1 NN1CCC2=C1C=CC=C2 OR7783 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 OR46214 [1,0,0,1,0,0|1,0,1]=4 385 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 OR30437 [1,0,0,1,0,0|1,0,1]=4 386 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 OR30654 [1,0,0,1,0,0|1,0,1]=4 387 B11R2.1 O=C1C=CC2=C1C=CC=C2 OR301146 [1,0,0,1,0,0|0,0,2]=4 388 B11R2.1 O=C1CCC2=C1C=CC=C2 OR6561 [1,0,0,1,0,0|0,0,0]=2 389 B11R2.1 O=C1CCC2=NC=CC=C12 OR60178 [1,0,0,1,0,0|1,0,0]=3 390 B11R2.1 O=C1COC2=CC=CC=C12 OR24591 [1,0,0,1,0,0|1,0,0]=3 391 B11R2.1 O=C1NCC2=C1C=CC=C2 OR305294 [1,0,0,1,0,0|1,0,0]=3 392 B11R2.1 O=C1NCC2=C1N=CC=C2 OR53107 [1,0,0,1,0,0|2,0,0]=4 393 B11R2.1 O=C1NCC2=NC=CC=C12 OR305375 [1,0,0,1,0,0|2,0,0]=4 394 B11R2.1 O=C1NNC2=C1C=CC=C2 OR7741 [1,0,0,1,0,0|2,0,0]=4 395 B11R2.1 O=C1NSC2=C1C=CC=C2 OR906447 [1,0,0,1,0,0|2,0,0]=4 396 B11R2.1 OB1OCC2=CC=CC=C12 OR10502 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.1 OC1=CNC2=CC=CC=C12 OR3695 [1,0,0,1,0,0|1,0,1]=4 398 B11R2.1 OC1=NNC2=C1C=CC=C2 OR21771 [1,0,0,1,0,0|2,0,0]=4 399 B11R2.1 OC1=NOC2=CC=CC=C21 OR27158 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.1 OC1CCC2=C1C=CC=C2 OR6504 [1,0,0,1,0,0|0,0,1]=3 401 B11R2.4 NC1CC1C2=CC=CC=C2 OR944624 [1,0,0,1,0,0|1,0,1]=4 402 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR16696 [1,0,0,1,0,0|1,0,1]=4 403 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR310537 [1,0,0,1,0,0|1,0,1]=4 404 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 OR53161 [1,0,0,1,0,0|1,0,1]=4 405 B11R2.20 C1=CC2=C(C=C1)CNCC2 OR6521 [1,0,0,1,0,0|2,0,0]=4 406 B11R2.20 C1=CC2=C(C=C1)OCCN2 OR15168 [1,0,0,1,0,0|1,0,1]=4 407 B11R2.20 C1=CC=C2COCCC2=C1 OR28756 [1,0,0,1,0,0|2,0,0]=4 408 B11R2.20 C1=CC=C2NCCCC2=C1 OR5166 [1,0,0,1,0,0|1,0,1]=4 409 B11R2.20 C1=CC=C2OCCOC2=C1 OR4961 [1,0,0,1,0,0|1,0,1]=4 410 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 OR23096 [0,0,0,1,1,0|1,0,1]=4 411 B11R2.10 BrC1=CC2=CC=CC=C2C1 OR1077 [0,0,0,1,1,0|2,0,0]=4 412 B11R2.10 ClC1=NC2=C(C=CC=C2)O1 OR13659 [0,0,0,1,1,0|2,0,0]=4 413 B11R2.10 NC1=NC2=C(C=CC=C2)O1 OR42126 [0,0,0,1,1,0|2,0,0]=4 414 B11R2.10 O=C1CC2=C(C=CC=C2)N1 OR30278 [0,0,0,1,1,0|1,0,0]=3 415 B11R2.10 O=C1CC2=CC=CC=C2C1 OR30508 [0,0,0,1,1,0|1,0,0]=3 416 B11R2.10 O=C1NC2=C(C=CC=C2)O1 OR22178 [0,0,0,1,1,0|1,0,0]=3 417 B11R2.10 O=C1NC2=C(C=CC=N2)O1 OR29854 [0,0,0,1,1,0|2,0,0]=4 418 B11R2.10 OC1=NC2=C(C=CC=C2)N1 OR6552 [0,0,0,1,1,0|2,0,0]=4 419 B11R2.10 OC1=NC2=C(C=CC=C2)S1 OR16606 [0,0,0,1,1,0|1,1,0]=4 420 B11R2.10 OC1CC2=CC=CC=C2C1 OR30507 [0,0,0,1,1,0|1,0,1]=4 421 B11R2.10 S=C1CC2=C(C=CC=C2)N1 OR300726 [0,0,0,1,1,0|1,1,0]=4 422 B11R2.10 SC1=NC2=C(C=CC=C2)O1 OR28704 [0,0,0,1,1,0|1,1,0]=4 423 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 OR41147 [0,0,0,1,0,1|1,0,0]=3 424 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 OR8745 [0,0,0,1,0,1|1,0,0]=3 425 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 OR8746 [0,0,0,1,0,1|1,0,0]=3 426 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 OR14525 [0,0,0,1,0,1|1,1,0]=4 427 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 OR14519 [0,0,0,1,0,1|1,1,0]=4 428 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 OR14526 [0,0,0,1,0,1|1,1,0]=4 429 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 OR14520 [0,0,0,1,0,1|1,1,0]=4 430 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 OR309026 [0,0,0,1,0,1|1,0,1]=4 431 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 OR8019 [0,0,0,1,0,1|1,0,1]=4 432 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 OR7859 [0,0,0,1,0,1|0,0,1]=3 433 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 OR5873 [0,0,0,1,0,1|0,0,2]=4 434 B13R2.72 O=C(O)C1=COC2=C1C=CC=C2 OR16562 [0,0,0,1,0,1|0,0,2]=4 435 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 OR23171 [0,0,0,1,0,1|0,0,2]=4 436 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 OR5104 [0,0,0,1,0,1|1,0,1]=4 437 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 OR7099 [0,0,0,1,0,1|0,0,0]=2 438 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 OR59934 [0,0,0,1,0,1|0,0,0]=2 439 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 OR315270 [0,0,0,1,0,1|1,0,1]=4 440 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)C1 OR7045 [0,1,0,1,0,0|1,0,0]=3 441 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)C1 OR7047 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 OR30939 [0,1,0,1,0,0|0,0,2]=4 443 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 OR110727 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 OR14329 [0,1,0,1,0,0|0,0,2]=4 445 B13R2.155 O=C1CCC2=CC=C(Cl)C=C2C1 OR12937 [0,1,0,1,0,0|1,0,0]=3 446 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 OR59478 [0,1,0,1,0,0|1,0,0]=3 447 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 OR8948 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.57 BrCC1CCC2=CC=CC=C2O1 OR18107 [0,1,0,1,0,0|1,0,1]=4 449 B13R2.57 OCC1CCC2=CC=CC=C2O1 OR14501 [0,1,0,1,0,0|0,0,2]=4 450 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O OR110335 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.369 O=C1CC2=CC=CC=C2OC1=O OR9103 [0,1,0,1,0,0|0,0,1]=3 452 B13R2.435 O=C(Cl)C1CC2=CC=CC=C2O1 OR346204 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 OR6305 [0,1,0,1,0,0|0,0,2]=4 454 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 OR7075 [0,1,0,1,0,0|0,0,2]=4 455 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 OR11262 [0,1,0,1,0,0|0,0,2]=4 456 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 OR23116 [0,1,0,1,0,0|1,0,1]=4 457 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 OR23086 [0,1,0,1,0,0|1,0,1]=4 458 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 OR7662 [0,1,0,1,0,0|1,0,1]=4 459 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 OR10885 [0,1,0,1,0,0|0,0,0]=2 460 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 OR59374 [0,1,0,1,0,0|0,0,0]=2 461 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 OR23376 [0,1,0,1,0,0|0,0,0]=2 462 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 OR0737 [0,1,0,1,0,0|0,0,0]=2 463 B13R2.328 O=C1CC(=O)C2=C(C=CC=C2)O1 OR1147 [0,1,0,1,0,0|0,0,1]=3 464 B13R2.12159 O=S1(=O)CC(O)C2=C1C=CC=C2 OR303988 [0,1,0,1,0,0|1,0,1]=4 465 B13R2.222 CC1(C)CCC2=CC=CC=C2O1 OR25413 [0,1,0,1,0,0|1,0,1]=4 466 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 OR13819 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.5179 O=C1CCC2=C(O)C=CC=C2N1 OR15207 [0,1,0,1,0,0|1,0,0]=3 468 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 OR16153 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 OR27673 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 OR13747 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 OR9098 [0,1,0,1,0,0|0,0,2]=4 472 B13R2.3683 O=C1CCC2=C(N=CC(Br)=C2)N1 OR16671 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 OR10839 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 OR30464 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2C1 OR12932 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 OR12939 [0,1,0,1,0,0|1,0,0]=3 477 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 OR11065 [0,1,0,1,0,0|1,0,0]=3 478 B13R2.3683 O=C1COC2=CC(Br)=CC=C2N1 OR46043 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.6 CC(=O)C1=CC=CN=C1 OR5046 [0,0,0,0,2,0|2,0,0]=4 480 B9R1.6 CC(=O)C1=CC=NC=C1 OR5047 [0,0,0,0,2,0|2,0,0]=4 481 B9R1.6 CC(=O)C1=NC=CC=C1 OR5045 [0,0,0,0,2,0|2,0,0]=4 482 B9R1.6 CS(=O)C1=CC=CC=C1 OR30635 [0,0,0,0,2,0|2,0,0]=4 483 B9R1.6 C[C@@H](O)C1=CC=CC=C1 OR315316 [0,0,0,0,2,0|1,0,1]=4 484 B9R1.6 N=C(N)C1=CC=CC=C1 OR11123 [0,0,0,0,2,0|2,0,0]=4 485 B9R1.6 NC(=O)C1=CC=CC=C1 OR21498 [0,0,0,0,2,0|1,0,0]=3 486 B9R1.6 NC(=O)C1=CC=NC=C1 OR0914 [0,0,0,0,2,0|2,0,0]=4 487 B9R1.6 NC(=S)C1=CC=CC=C1 OR28638 [0,0,0,0,2,0|1,1,0]=4 488 B9R1.6 O=C(Cl)C1=CC=CC=C1 OR5454 [0,0,0,0,2,0|1,0,0]=3 489 B9R1.6 O=C(Cl)C1=CC=CN=C1 OR46575 [0,0,0,0,2,0|2,0,0]=4 490 B9R1.6 O=C(Cl)C1=CC=NC=C1 OR23065 [0,0,0,0,2,0|2,0,0]=4 491 B9R1.6 O=C(Cl)C1=NC=CC=C1 OR20043 [0,0,0,0,2,0|2,0,0]=4 492 B9R1.6 O=C(Cl)C1=NC=CC=C1 OR6370 [0,0,0,0,2,0|2,0,0]=4 493 B9R1.6 O=C(O)C1=CC=CC=C1 OR9594 [0,0,0,0,2,0|0,0,0]=2 494 B9R1.6 O=C(O)C1=CC=CN=N1 OR1005 [0,0,0,0,2,0|2,0,0]=4 495 B9R1.6 O=C(O)C1=CC=NC=C1 OR23064 [0,0,0,0,2,0|1,0,0]=3 496 B9R1.6 O=C(O)C1=CC=NN=C1 OR7883 [0,0,0,0,2,0|2,0,0]=4 497 B9R1.6 O=C(O)C1=CN=CN=C1 OR5339 [0,0,0,0,2,0|2,0,0]=4 498 B9R1.6 O=C(O)C1=NC=CC=C1 OR23054 [0,0,0,0,2,0|1,0,0]=3 499 B9R1.6 O=C(O)C1=NC=CC=N1 OR15942 [0,0,0,0,2,0|2,0,0]=4 500 B9R1.6 O=C(O)C1=NC=CN=C1 OR11036 [0,0,0,0,2,0|2,0,0]=4 501 B9R1.6 O=C(O)C1=NC=NC=C1 OR3737 [0,0,0,0,2,0|2,0,0]=4 502 B9R1.6 O=S([O-])C1=CC=CC=C1 OR63038 [0,0,0,0,2,0|1,0,1]=4 503 B9R1.6 OB(O)C1=CC=CC=C1 OR2447 [0,0,0,0,2,0|1,0,1]=4 504 B9R1.13 O=C(Cl)CC1=CC=CS1 OR10151 [0,0,0,0,2,0|2,0,0]=4 505 B9R1.13 O=C(O)CC1=CC=CS1 OR5059 [0,0,0,0,2,0|1,0,0]=3 506 B9R1.13 O=C(O)CC1=CNC=N1 OR51912 [0,0,0,0,2,0|2,0,0]=4 507 B9R1.13 O=C(O)CC1=COC=C1 OR307188 [0,0,0,0,2,0|1,0,0]=3 508 B9R1.13 O=C(O)CC1=CSC=C1 OR5060 [0,0,0,0,2,0|1,0,0]=3 509 B9R1.13 O=C(O)CC1=NNC=C1 OR300170 [0,0,0,0,2,0|2,0,0]=4 510 B9R1.13 O=C(O)CN1C=CN=C1 OR0882 [0,0,0,0,2,0|2,0,0]=4 511 B13R1.337 O=C(O)C=CC=CC1=CC=CC=C1 OR21264 [0,0,0,0,0,2|0,0,2]=4 512 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 OR4177 [0,0,0,0,0,2|0,0,0]=2 513 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 OR301190 [0,0,0,0,0,2|0,0,0]=2