0 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 N=C(N)NN=C1C=CC(=O)C=C1 R414492 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,0,0,0,0,0|1,0,2]=3 20 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,0,0,0,0,0|0,0,0]=0 21 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.21 NC(=O)CSC1=NN=C(C=C1)Cl PH007715 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [1,0,0,0,0,0|0,0,2]=3 37 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [1,0,0,0,0,0|1,0,2]=4 38 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [1,0,0,0,0,0|1,0,2]=4 39 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,0,0,0,0,0|1,0,0]=2 46 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,0,0,0,0,0|0,0,0]=1 47 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,0,0,0,0,0|1,0,2]=4 49 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,0|1,0,2]=4 51 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,0,0|1,0,1]=3 59 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,0,0,0,0,0|2,0,1]=4 60 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [1,0,0,0,0,0|2,0,0]=3 64 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [1,0,0,0,0,0|1,0,0]=2 67 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,0|1,0,0]=2 69 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [1,0,0,0,0,0|1,1,0]=3 71 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,0|1,1,0]=3 72 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,0|1,0,2]=4 74 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [1,0,0,0,0,0|3,0,0]=4 78 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [1,0,0,0,0,0|3,0,0]=4 79 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,0|1,0,2]=4 80 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,0|1,0,2]=4 81 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,0|1,0,2]=4 82 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,0|2,0,0]=3 84 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,0|3,0,0]=4 85 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)N R397091 [0,1,0,0,0,0|1,0,1]=3 86 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)[O-] S928836 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.3 CC(=O)OCC1=CC=C(C=C1)C#N BOG00136 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,1,0,0,0,0|1,0,2]=4 89 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,1,0,0,0,0|1,0,0]=2 90 B13R1.3 COC1=CC=C(C=C1)CCC(C)N PH009720 [0,1,0,0,0,0|1,0,1]=3 91 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,1,0,0,0,0|1,0,2]=4 94 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.14 CNC(C)COC1=CC=C(C=C1)O S397989 [0,1,0,0,0,0|2,0,1]=4 96 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,1,0,0,0,0|1,0,2]=4 97 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,0,0,0,0|3,0,0]=4 98 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl JRD0868 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.132 NC(=O)NC(=O)C1=CC=C(C=C1)N PH007186 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,1,0,0,0,0|1,0,0]=2 114 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,1,0,0,0,0|2,0,0]=3 119 B13R1.133 CC1=CC=C(C=C1)CN(C)C(=N)N PH014484 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.133 CN(CC1=CC=C(C=C1)Cl)C(=N)N PH014512 [0,1,0,0,0,0|3,0,0]=4 121 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [0,1,0,0,0,0|2,0,1]=4 123 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)[O-] R750271 [0,1,0,0,0,0|3,0,0]=4 124 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,1,0,0,0,0|3,0,0]=4 125 B13R1.164 CC1=CC(=CC=C1OCC(=O)N)Cl R631132 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,1,0,0,0,0|3,0,0]=4 129 B13R1.164 N=C(N)SCC1=C(C=C(C=C1)Cl)Cl PH000337 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.164 NC(=O)/C=C/C1=CC=C(C=C1Cl)Cl PH010730 [0,1,0,0,0,0|1,0,2]=4 131 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br EME00177 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.164 NC(=S)COC1=CC=C(C=C1Cl)Cl PH016696 [0,1,0,0,0,0|2,1,0]=4 133 B13R1.164 O=C(Cl)COC1=C(C=C(C=C1)Cl)Cl PH014592 [0,1,0,0,0,0|3,0,0]=4 134 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,1,0,0,0,0|3,0,0]=4 136 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O PH008620 [0,1,0,0,0,0|3,0,0]=4 137 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl R343048 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.511 N=C(N)NCC1=CC(=C(C=C1)Cl)Cl PH014599 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.512 CC(C)(O)CCC1=CC=C(C=C1)O S350885 [0,1,0,0,0,0|1,0,2]=4 144 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 ADE001276 [0,0,0,1,0,0|3,0,0]=4 145 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,0,0,1,0,0|1,0,0]=2 146 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,0,0,1,0,0|2,0,0]=3 147 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,0,0,1,0,0|1,0,0]=2 148 B13R2.155 O=C1COC2=NC=C(C=C2N1)Br ADE001263 [0,0,0,1,0,0|3,0,0]=4 149 B13R2.155 O=C1COC2=NC=C(C=C2N1)I ADE001266 [0,0,0,1,0,0|3,0,0]=4 150 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,0,0,1,0,0|2,0,0]=3 151 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,0,0,0,1,0|2,0,0]=3 152 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,0,0,1,0|2,0,0]=3 153 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,0,0,1,0|1,0,0]=2 154 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,0,0,0,1,0|3,0,0]=4 155 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,0,0,1,0|3,0,0]=4 156 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,0,0,1,0|3,0,0]=4 157 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,0,0,1,0|2,0,1]=4 158 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,1,0|3,0,0]=4 159 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,0,0,1,0|2,0,0]=3 160 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,0,0,1,0|1,0,0]=2 161 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,0,0,0,1,0|3,0,0]=4 162 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,0,0,0,1,0|3,0,0]=4 163 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,0,0,1,0|2,0,0]=3 164 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,0,0,0,1,0|2,1,0]=4 165 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,0,0,0,1,0|3,0,0]=4 166 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,0,0,0,1,0|2,0,0]=3 167 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,0,0,0,1,0|3,0,0]=4 168 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,0,0,0,1,0|1,0,0]=2 169 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,0,0,0,1,0|2,0,0]=3 170 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,0,0,0,1,0|2,0,0]=3 171 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,0,0,0,1,0|1,1,0]=3 172 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,0,0,0,1,0|2,1,0]=4 173 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,0,0,0,1,0|2,1,0]=4 174 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,0,0,0,1,0|2,0,1]=4 175 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,0,0,0,1,0|3,0,0]=4 176 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,0,0,0,1,0|3,0,0]=4 177 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,0,0,0,1,0|3,0,0]=4 178 B11R1.75 CC1=CC=C(O1)CCC(=O)N T311464 [0,0,0,0,1,0|2,0,0]=3 179 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)O R749648 [0,0,0,0,0,1|2,0,1]=4 180 B13R1.513 CC1=CC=C(C=C1)/C=N/NC(=O)N R697982 [0,0,0,0,0,1|2,0,1]=4 181 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [0,0,0,0,0,1|2,0,0]=3 182 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [0,0,0,0,0,1|2,0,0]=3 183 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,0,0,0,0,1|1,0,0]=2 184 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [0,0,0,0,0,1|1,0,0]=2 185 B13R1.513 NC(=O)N/N=C/C1=CC=C(C=C1)Cl R697532 [0,0,0,0,0,1|2,0,1]=4 186 B13R1.513 NC(=O)N/N=C/C1=CC=C(C=C1)O R699055 [0,0,0,0,0,1|1,0,1]=3 187 B13R1.513 NC(=S)N/N=C/C1=CC=C(C=C1)O R699101 [0,0,0,0,0,1|1,1,1]=4 188 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [0,0,0,0,0,1|2,0,0]=3 189 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,0,0,0,0,1|2,0,0]=3 190 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [0,0,0,0,0,1|2,0,0]=3 191 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [0,0,0,0,0,1|2,0,0]=3 192 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [2,0,0,0,0,0|2,0,0]=4 193 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [2,0,0,0,0,0|1,0,1]=4 197 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|1,0,0]=3 202 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|1,0,0]=3 205 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [2,0,0,0,0,0|2,0,0]=4 206 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|1,0,1]=4 207 B12R1.1 CC1=CC=C(C=C1)OCCNN PH019543 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [1,1,0,0,0,0|0,0,0]=2 211 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [1,1,0,0,0,0|1,0,0]=3 215 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|1,0,0]=3 219 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [1,1,0,0,0,0|1,1,0]=4 221 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [1,1,0,0,0,0|1,0,1]=4 223 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,1,0,0,0,0|0,0,0]=2 225 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [1,1,0,0,0,0|1,1,0]=4 227 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|0,0,0]=2 230 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|0,0,0]=2 231 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|0,0,0]=2 232 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [1,1,0,0,0,0|1,1,0]=4 236 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,1,0,0,0,0|1,0,0]=3 239 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,1,0,0,0,0|1,0,0]=3 240 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [1,1,0,0,0,0|0,0,2]=4 243 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [1,1,0,0,0,0|1,0,1]=4 246 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [1,1,0,0,0,0|1,1,0]=4 249 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [1,1,0,0,0,0|1,0,0]=3 253 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl T282057 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [1,1,0,0,0,0|1,0,0]=3 255 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.226 N=C(N)SCC1=CC(=CC=C1)Cl S533416 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,1,0,0,1,0|1,0,0]=3 273 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,0,0,1,0|0,0,0]=2 274 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,1,0,0,1,0|2,0,0]=4 275 B12R1.4 COC1=CC=C(C=C1)NC(=N)N S614491 [0,1,0,0,1,0|2,0,0]=4 276 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,0,0,1,0|1,0,0]=3 277 B12R1.4 COC1=CC=C(C=C1)NC(=S)N S223034 [0,1,0,0,1,0|1,1,0]=4 278 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [0,1,0,0,1,0|1,1,0]=4 279 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [0,1,0,0,1,0|2,0,0]=4 280 B12R1.19 CC1=CC=C(C=C1C)NC(=O)N S576050 [0,1,0,0,1,0|2,0,0]=4 281 B12R1.19 CC1=CC=C(C=C1Cl)NC(=O)N S534447 [0,1,0,0,1,0|2,0,0]=4 282 B12R1.19 N=C(N)CC1=CC(=C(C=C1)F)F PH015013 [0,1,0,0,1,0|2,0,0]=4 283 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,0,0,1,0|2,0,0]=4 284 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,1,0,0,1,0|2,0,0]=4 285 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,1,0|1,0,0]=3 286 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,1,0|2,0,0]=4 287 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,1,0|2,0,0]=4 288 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,1,0|2,0,0]=4 290 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,1,0|2,0,0]=4 291 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,1,0|2,0,0]=4 292 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,1,0|2,0,0]=4 293 B12R1.233 CC1=CC(=CC=C1NC(=O)N)Cl S601519 [0,1,0,0,1,0|2,0,0]=4 294 B12R1.233 CC1=CC=C(C(=C1)C)NC(=O)N S411590 [0,1,0,0,1,0|2,0,0]=4 295 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,1,0|2,0,0]=4 296 B12R1.233 NC(=O)NC1=CC=C(C=C1Cl)Cl S764116 [0,1,0,0,1,0|2,0,0]=4 297 B12R1.233 NC(=O)NC1=CC=C(C=C1F)F S730564 [0,1,0,0,1,0|2,0,0]=4 298 B12R1.233 NC(=S)CC1=C(C=C(C=C1)F)Cl PH015040 [0,1,0,0,1,0|1,1,0]=4 299 B14R1.4 C=C(C)COCC1=CC=C(C=C1)OC T268909 [0,1,0,0,0,1|2,0,0]=4 300 B14R1.4 COC1=CC=C(C=C1)/C=N/NC(=O)N R705640 [0,1,0,0,0,1|1,0,1]=4 301 B14R1.4 COC1=CC=C(C=C1)CCNC(=S)N PH010896 [0,1,0,0,0,1|0,1,0]=3 302 B14R1.4 COC1=CC=C(C=C1)CNNC(=S)N PH007039 [0,1,0,0,0,1|1,1,0]=4 303 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O S542938 [0,1,0,0,0,1|1,0,0]=3 304 B14R1.4 CSC1=CC=C(C=C1)CCCC(=O)O JRD0698 [0,1,0,0,0,1|1,1,0]=4 305 B14R1.4 N#CC1=CC=C(C=C1)CSCC(=O)O EME00127 [0,1,0,0,0,1|2,0,0]=4 306 B14R1.4 N#CC1=CC=C(C=C1)CSCC(=O)O OTV000786 [0,1,0,0,0,1|2,0,0]=4 307 B14R1.13 CCC(=O)NCCC1=CC=C(C=C1)Br R343358 [0,1,0,0,0,1|2,0,0]=4 308 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N CDS021206 [0,1,0,0,0,1|2,0,0]=4 309 B14R1.13 COC(=O)CCSC1=CC=C(C=C1)Cl S614327 [0,1,0,0,0,1|2,0,0]=4 310 B14R1.13 COC(=O)CSCC1=CC=C(C=C1)Cl S620289 [0,1,0,0,0,1|2,0,0]=4 311 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl TMT00614 [0,1,0,0,0,1|2,0,0]=4 312 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)N R548197 [0,1,0,0,0,1|1,0,1]=4 313 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O T195227 [0,1,0,0,0,1|2,0,0]=4 314 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Br R169897 [0,1,0,0,0,1|1,0,1]=4 315 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)Cl R648221 [0,1,0,0,0,1|1,0,1]=4 316 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)N PH010085 [0,1,0,0,0,1|1,0,1]=4 317 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O PH002256 [0,1,0,0,0,1|2,0,0]=4 318 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O T136271 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.678 O=C(O)CSC(=S)C1=CC=C(C=C1)O PH007939 [0,1,0,0,0,1|1,0,1]=4 320 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [0,1,0,0,0,1|2,0,0]=4 321 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [0,1,0,0,0,1|2,0,0]=4 322 B14R1.687 CC1=CC=C(C=C1C)CCCC(=O)O S714461 [0,1,0,0,0,1|2,0,0]=4 323 B14R1.687 CC1=CC=C(C=C1C)OCCC(=O)O PH009804 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [0,1,0,0,0,1|2,0,0]=4 325 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [0,1,0,0,0,1|2,0,0]=4 326 B14R1.4464 NC(=O)N/N=C/C1=C(C=C(C=C1)O)O R700169 [0,1,0,0,0,1|1,0,1]=4 327 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Br)F EME00121 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Cl)Cl EME00130 [0,1,0,0,0,1|2,0,0]=4 329 B14R1.2 CCC1=CC=C(C=C1)C(C)CC(=O)O T135844 [0,2,0,0,0,0|2,0,0]=4 330 B14R1.2 CCC1=CC=C(C=C1)C(N)CC(=O)O KOB0038 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)N PH003869 [0,2,0,0,0,0|0,0,0]=2 332 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R594881 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R595446 [0,2,0,0,0,0|1,0,0]=3 334 B14R1.2 N#CC1=CC=C(C=C1)C(N)CC(=O)O KOB0005 [0,2,0,0,0,0|2,0,0]=4 335 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [0,2,0,0,0,0|1,0,0]=3 336 B14R1.3 COC1=CC=C(C=C1)CN(C)C(=N)N PH014986 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.5 CCC(=O)NCC1=CC=C(C=C1)OC R343323 [0,2,0,0,0,0|2,0,0]=4 338 B14R1.5 CNC(=O)OCC1=CC=C(C=C1)OC PH009130 [0,2,0,0,0,0|1,0,0]=3 339 B14R1.5 COC(=O)CCC1=CC=C(C=C1)CN CDS000982 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN CDS004132 [0,2,0,0,0,0|0,0,0]=2 341 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl R468185 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.103 COC1=CC=C(C(=C1)C)CCC(=O)O R238368 [0,2,0,0,0,0|1,0,0]=3 343 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O PH011716 [0,2,0,0,0,0|1,0,0]=3 344 B14R1.142 CCOC1=CC=C(C=C1)OCC(=N)N PH014483 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.419 CC(=O)NCC1=CC=C(C=C1)B(O)O CDS005489 [0,2,0,0,0,0|2,0,0]=4 346 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O PH011524 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O CBR00814 [0,2,0,0,0,0|2,0,0]=4 348 B14R1.419 NC(=O)COC1=CC=C(C=C1)C(=O)O CDS011498 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.419 NC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] EME00142 [0,2,0,0,0,0|1,0,1]=4 350 B14R1.419 O=C(O)CCC1=CC=C(C=C1)B(O)O CDS004842 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.419 O=C(O)CSC1=CC=C(C=C1)C(=O)O R586900 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br S102350 [0,2,0,0,0,0|1,0,0]=3 353 B14R1.3653 COC1=CC=C(C=C1C)CCC(=O)O S953792 [0,2,0,0,0,0|1,0,0]=3 354 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CDS006461 [0,2,0,0,0,0|1,0,0]=3 355 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CDS000077 [0,2,0,0,0,0|1,0,1]=4 356 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C S900125 [0,2,0,0,0,0|2,0,0]=4 359 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O S582131 [0,2,0,0,0,0|1,0,0]=3 360 B14R1.502 CNCC(=O)NCC1=CC=C(C=C1)F PH017400 [0,2,0,0,0,0|2,0,0]=4 361 B14R1.727 NNC(=O)COC1=CC=C(C=C1Cl)Cl PH011443 [0,2,0,0,0,0|2,0,0]=4 362 B14R1.727 O=C(COC1=C(C=C(C=C1)Cl)Cl)NO PH003650 [0,2,0,0,0,0|2,0,0]=4 363 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)Br L128104 [0,2,0,0,0,0|2,0,0]=4 364 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl BBO000722 [0,2,0,0,0,0|2,0,0]=4 365 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl CDS006137 [0,2,0,0,0,0|2,0,0]=4 366 B14R1.694 CC(=O)CC(C)(C)C1=CC=C(C=C1)C S941557 [0,2,0,0,0,0|2,0,0]=4 367 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O CDS010801 [0,2,0,0,0,0|2,0,0]=4 368 B14R1.694 CC1=CC=C(C=C1)S(=O)(=O)CC(=O)N S400106 [0,2,0,0,0,0|2,0,0]=4 369 B14R1.694 NC(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl S614467 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.694 NC(=O)CS(=O)(=O)C1=CC=C(C=C1)N R993239 [0,2,0,0,0,0|2,0,0]=4 371 B14R1.1019 CCC(CC(=O)O)C1=CC=C(C=C1)C T135925 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.6048 NC(CC(=O)O)C1=CC=C(C=C1Cl)Cl BBO000367 [0,2,0,0,0,0|2,0,0]=4 373 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [0,2,0,0,0,0|2,0,0]=4 375 B14R1.686 CC1=C(C=C(C=C1)OC(C)C(=O)N)C EME00052 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.6049 CC1=CC=C(C(=C1)C)C[C@@H](N)C(=O)O CDS005520 [0,2,0,0,0,0|2,0,0]=4 377 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [0,2,0,0,0,0|2,0,0]=4 378 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [0,2,0,0,0,0|2,0,0]=4 379 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,2,0,0,0,0|2,0,0]=4 380 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Br)C(=O)N S824909 [0,2,0,0,0,0|2,0,0]=4 381 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)N PH011082 [0,2,0,0,0,0|2,0,0]=4 382 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [0,2,0,0,0,0|1,0,0]=3 383 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)N PH002851 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.3152 NC(=O)COC1=C(C=C(C=C1I)I)I S420212 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.15552 CC(=O)CCC1=CC(=C(C(=C1)C)O)C S290920 [0,2,0,0,0,0|1,0,0]=3 386 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [1,0,0,1,0,0|0,0,1]=3 387 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [1,0,0,1,0,0|2,0,0]=4 388 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [1,0,0,1,0,0|2,0,0]=4 389 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [1,0,0,1,0,0|1,0,0]=3 390 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [1,0,0,1,0,0|1,0,1]=4 391 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CDS003171 [0,0,0,1,1,0|2,0,0]=4 392 B12R2.606 NC1=NC2=C(S1)C=C(C=C2)O CDS007524 [0,0,0,1,1,0|1,1,0]=4 393 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,1,0|2,0,0]=4 394 B12R2.606 O=C1NC2=CC=C(C=C2N1)Br CDS007377 [0,0,0,1,1,0|2,0,0]=4 395 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,1,1,0|2,0,0]=4 396 B14R2.20 NC1=NCC(N1)C2=CC=C(C=C2)Cl PH013621 [0,0,0,1,0,1|2,0,0]=4 397 B14R2.20 O=C1CCN(C1)C2=CC=C(C=C2)F CBR00490 [0,0,0,1,0,1|2,0,0]=4 398 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 IDF00007 [0,1,0,1,0,0|1,0,0]=3 399 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 JRD0383 [0,1,0,1,0,0|1,0,0]=3 400 B14R2.134 O=C1COC2=CC=C(C=C2N1)CO JRD0945 [0,1,0,1,0,0|1,0,0]=3 401 B14R2.134 O=C1COC2=CN=C(C=C2N1)CO PH018586 [0,1,0,1,0,0|2,0,0]=4 402 B14R2.4513 CN1C(=O)COC2=CC=C(C=C12)N CBR00203 [0,1,0,1,0,0|2,0,0]=4 403 B14R2.29365 O=C1COC2=C(N1)C=C(C=C2Cl)Cl PH011058 [0,1,0,1,0,0|2,0,0]=4 404 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [0,1,0,1,0,0|2,0,0]=4 405 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [0,1,0,1,0,0|2,0,0]=4 406 B14R2.8239 CC1=C(C=C2CCC(=O)CC2=C1)Br PH018806 [0,1,0,1,0,0|2,0,0]=4 407 B14R2.8239 CC1=CC2=C(C=C1Cl)CCC(=O)O2 IDF00016 [0,1,0,1,0,0|2,0,0]=4 408 B14R2.8239 CC1OC2=C(C=C(C=C2)N)NC1=O JRD0674 [0,1,0,1,0,0|2,0,0]=4 409 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Br JRD0725 [0,1,0,1,0,0|2,0,0]=4 410 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)Cl OTV000335 [0,1,0,1,0,0|2,0,0]=4 411 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)F JRD0727 [0,1,0,1,0,0|2,0,0]=4 412 B14R2.8239 CC1OC2=CC=C(C=C2NC1=O)N OTV000478 [0,1,0,1,0,0|2,0,0]=4 413 B14R2.8239 CC1SC2=CC=C(C=C2NC1=O)Br VBP00194 [0,1,0,1,0,0|2,0,0]=4 414 B14R2.8239 NC1=CC2=C(C=C1Cl)NC(=O)CO2 T316199 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.8239 O=C1COC2=C(N1)C=C(C(=C2)Br)Br L168203 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [1,0,0,0,1,0|2,0,0]=4 417 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,1,0|2,0,0]=4 418 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,1,0|2,0,0]=4 419 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,1,0|2,0,0]=4 420 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,1,0|2,0,0]=4 421 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,1,0|2,0,0]=4 422 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,1,0|2,0,0]=4 423 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,1,0|1,0,0]=3 424 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,1,0|1,0,0]=3 425 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,1,0|2,0,0]=4 426 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,1,0|2,0,0]=4 427 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,1,0|2,0,0]=4 428 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,1,0|2,0,0]=4 429 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [0,0,0,0,2,0|2,0,0]=4 430 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [0,0,0,0,2,0|2,0,0]=4 431 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [0,0,0,0,2,0|2,0,0]=4 432 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,0,0,2,0|1,0,0]=3 433 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,0,0,2,0|1,0,0]=3 434 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,0,0,2,0|1,0,0]=3 435 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,0,0,2,0|1,0,0]=3 436 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,0,0,2,0|0,1,0]=3 437 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,0,0,2,0|2,0,0]=4 438 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,0,0,2,0|2,0,0]=4 439 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,0,0,0,2,0|2,0,0]=4 440 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,0,0,2,0|2,0,0]=4 441 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,0,1|1,0,0]=3 442 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,0,1|1,0,0]=3 443 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,0,1|1,0,0]=3 444 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [1,0,0,0,0,1|2,0,0]=4 445 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,0,0,0,0,1|2,0,0]=4 446 B12R1.252 N=C(N)CCCC1=CC=CC=N1 PH015391 [1,0,0,0,0,1|2,0,0]=4 447 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,0,0,0,1|1,0,0]=3 448 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,0,0,0,1|0,0,0]=2 449 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [1,0,0,0,0,1|0,0,0]=2 450 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,0,0,0,1|0,0,0]=2 451 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,0,0,0,1|0,1,0]=3 452 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [1,0,0,0,0,1|1,0,0]=3 453 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,0,0,0,0,1|1,0,0]=3 454 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,0,0,0,0,1|1,0,0]=3 455 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,0,0,0,0,1|1,0,0]=3 456 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [1,0,0,0,0,1|2,0,0]=4 457 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)C R413992 [0,0,0,0,0,2|2,0,0]=4 458 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)Cl R415103 [0,0,0,0,0,2|2,0,0]=4 459 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)F R703745 [0,0,0,0,0,2|2,0,0]=4 460 B14R1.677 N=C(N)NCCOC1=CC=C(C=C1)Cl PH012592 [0,0,0,0,0,2|2,0,0]=4 461 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br JRD1063 [0,0,0,0,0,2|2,0,0]=4 462 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl JRD1061 [0,0,0,0,0,2|2,0,0]=4 463 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F JRD1062 [0,0,0,0,0,2|2,0,0]=4 464 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F OTV000983 [0,0,0,0,0,2|2,0,0]=4