0 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,0,0,0,0,0|0,0,2]=2 4 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 CN(C)CSC1=CC=C(C=C1)Cl PH007326 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl PH012544 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.21 N=C(N)SCC1=CC=C(C=C1)F T165948 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,0,0,0,0,0|2,0,2]=4 23 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.21 NC(=[S+]CC1=CC=C(C=C1)Cl)N R278254 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,0,0,0,0,0|1,0,1]=3 36 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,0,0,0,0,0|0,0,1]=2 37 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [1,0,0,0,0,0|1,0,1]=3 42 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,0,0,0,0,0|0,0,0]=1 50 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,0,0,0,0,0|1,0,2]=4 52 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [1,0,0,0,0,0|2,0,1]=4 53 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [1,0,0,0,0,0|1,0,2]=4 54 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [1,0,0,0,0,0|1,0,2]=4 55 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [1,0,0,0,0,0|2,0,1]=4 58 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [1,0,0,0,0,0|2,0,1]=4 59 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [1,0,0,0,0,0|2,0,0]=3 62 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,0,0|1,0,1]=3 67 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [1,0,0,0,0,0|3,0,0]=4 71 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [1,0,0,0,0,0|2,0,1]=4 73 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [1,0,0,0,0,0|3,0,0]=4 75 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [1,0,0,0,0,0|3,0,0]=4 77 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [1,0,0,0,0,0|2,0,0]=3 78 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [1,0,0,0,0,0|2,0,0]=3 79 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [1,0,0,0,0,0|2,0,0]=3 80 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [1,0,0,0,0,0|2,1,0]=4 82 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [1,0,0,0,0,0|2,1,0]=4 83 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [1,0,0,0,0,0|2,0,0]=3 86 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [1,0,0,0,0,0|3,0,0]=4 89 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [1,0,0,0,0,0|1,0,2]=4 91 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [1,0,0,0,0,0|1,0,2]=4 92 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [1,0,0,0,0,0|1,0,2]=4 93 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [1,0,0,0,0,0|3,0,0]=4 96 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)N R397091 [0,1,0,0,0,0|2,0,1]=4 97 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)[O-] S928836 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.3 CC(=O)OCC1=CC=C(C=C1)C#N BOG00136 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,1,0,0,0,0|1,0,2]=4 100 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,1,0,0,0,0|1,0,0]=2 101 B13R1.3 COC1=CC=C(C=C1)CCC(C)N PH009720 [0,1,0,0,0,0|1,0,1]=3 102 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl TMT00603 [0,1,0,0,0,0|2,0,0]=3 104 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,1,0,0,0,0|1,0,2]=4 105 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,1,0,0,0,0|1,0,2]=4 106 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.14 CNC(C)COC1=CC=C(C=C1)O S397989 [0,1,0,0,0,0|2,0,1]=4 108 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,1,0,0,0,0|1,0,2]=4 109 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,1,0,0,0,0|1,0,2]=4 110 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,1,0,0,0,0|0,0,2]=3 111 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,0,0,0,0|2,0,0]=3 114 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl JRD0868 [0,1,0,0,0,0|3,0,0]=4 116 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl TMT00613 [0,1,0,0,0,0|2,0,0]=3 117 B13R1.14 O=C(CCl)OCC1=CC=C(C=C1)Cl S34968 [0,1,0,0,0,0|2,0,0]=3 118 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,1,0,0,0,0|3,0,0]=4 119 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,1,0,0,0,0|1,0,1]=3 120 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,1,0,0,0,0|2,0,0]=3 123 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,1,0,0,0,0|1,0,0]=2 124 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [0,1,0,0,0,0|0,0,3]=4 125 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [0,1,0,0,0,0|2,0,0]=3 127 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,1,0,0,0,0|1,0,0]=2 128 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,1,0,0,0,0|1,0,0]=2 129 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,1,0,0,0,0|3,0,0]=4 130 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,1,0,0,0,0|3,0,0]=4 131 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,1,0,0,0,0|3,0,0]=4 132 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,1,0,0,0,0|2,0,0]=3 134 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,1,0,0,0,0|2,0,1]=4 135 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [0,1,0,0,0,0|2,0,1]=4 137 B13R1.164 CC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl R613541 [0,1,0,0,0,0|1,0,2]=4 138 B13R1.164 CC(=O)NNC1=C(C=C(C=C1)C)N S926396 [0,1,0,0,0,0|3,0,0]=4 139 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)[O-] R750271 [0,1,0,0,0,0|3,0,0]=4 140 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,1,0,0,0,0|3,0,0]=4 141 B13R1.164 CC1=CC(=CC=C1OCC(=O)N)Cl R631132 [0,1,0,0,0,0|3,0,0]=4 142 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,1,0,0,0,0|3,0,0]=4 143 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,1,0,0,0,0|3,0,0]=4 145 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br EME00177 [0,1,0,0,0,0|3,0,0]=4 146 B13R1.164 O=C(Cl)COC1=C(C=C(C=C1)Cl)Cl PH014592 [0,1,0,0,0,0|3,0,0]=4 147 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [0,1,0,0,0,0|2,0,0]=3 148 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,1,0,0,0,0|3,0,0]=4 149 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,1,0,0,0,0|1,0,2]=4 150 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O PH008620 [0,1,0,0,0,0|2,0,0]=3 151 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [0,1,0,0,0,0|2,0,0]=3 152 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl R343048 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,1,0,0,0,0|3,0,0]=4 154 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O PH013462 [0,1,0,0,0,0|2,0,0]=3 155 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [0,1,0,0,0,0|3,0,0]=4 156 B13R1.512 CC(C)(O)CCC1=CC=C(C=C1)O S350885 [0,1,0,0,0,0|0,0,2]=3 157 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,0,0,1,0,0|2,0,0]=3 158 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,0,0,1,0,0|2,0,0]=3 159 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,0,0,1,0,0|2,0,0]=3 160 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,0,0,1,0,0|3,0,0]=4 161 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,0,0,0,1,0|1,0,0]=2 162 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,0,0,0,1,0|2,0,1]=4 163 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,0,0,0,1,0|1,0,0]=2 164 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,0,0,0,1,0|0,0,0]=1 165 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,0,0,0,1,0|2,0,0]=3 166 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,0,0,0,1,0|2,0,0]=3 167 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,0,0,0,1,0|2,0,0]=3 168 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,0,0,0,1,0|1,0,1]=3 169 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,0,0,0,1,0|3,0,0]=4 170 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,0,0,0,1,0|3,0,0]=4 171 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,0,0,0,1,0|2,0,0]=3 172 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,0,0,0,1,0|2,0,0]=3 173 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,0,0,0,1,0|2,0,0]=3 174 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,0,0,0,1,0|3,0,0]=4 175 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,0,0,0,1,0|3,0,0]=4 176 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,0,0,0,1,0|3,0,0]=4 177 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,0,0,0,1,0|3,0,0]=4 178 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,0,0,0,1,0|2,0,0]=3 179 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,0,0,0,1,0|3,0,0]=4 180 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,0,0,0,1,0|3,0,0]=4 181 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,0,0,0,1,0|2,1,0]=4 182 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,0,0,0,1,0|2,0,1]=4 183 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,0,0,0,1,0|3,0,0]=4 184 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,0,0,0,1,0|3,0,0]=4 185 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,0,0,0,1,0|3,0,0]=4 186 B11R1.75 CC1=CC=C(O1)CCC(=O)N T311464 [0,0,0,0,1,0|3,0,0]=4 187 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)C R709700 [0,0,0,0,0,1|2,0,1]=4 188 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)Cl R709999 [0,0,0,0,0,1|2,0,1]=4 189 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)O R749648 [0,0,0,0,0,1|1,0,1]=3 190 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [0,0,0,0,0,1|2,0,0]=3 191 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [0,0,0,0,0,1|2,0,0]=3 192 B13R1.513 CC1=CC=C(C=C1)OCCN(C)C PH012060 [0,0,0,0,0,1|3,0,0]=4 193 B13R1.513 CC1=CC=C(C=C1)SCCC(C)C S832855 [0,0,0,0,0,1|2,0,1]=4 194 B13R1.513 CN(C)CCCC1=CC=C(C=C1)N CDS004275 [0,0,0,0,0,1|3,0,0]=4 195 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Br PH000198 [0,0,0,0,0,1|3,0,0]=4 196 B13R1.513 CN(C)CCOC1=CC=C(C=C1)Cl PH012067 [0,0,0,0,0,1|3,0,0]=4 197 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,0,0,0,0,1|2,0,0]=3 198 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [0,0,0,0,0,1|2,0,0]=3 199 B13R1.513 NC(=O)N/N=C/C1=CC=C(C=C1)O R699055 [0,0,0,0,0,1|2,0,1]=4 200 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [0,0,0,0,0,1|2,0,0]=3 201 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,0,0,0,0,1|2,0,0]=3 202 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [0,0,0,0,0,1|2,0,0]=3 203 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [2,0,0,0,0,0|1,0,0]=3 207 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|1,0,0]=3 215 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|1,0,0]=3 221 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [2,0,0,0,0,0|1,0,1]=4 223 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [2,0,0,0,0,0|1,0,1]=4 224 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|1,0,1]=4 225 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|2,0,0]=4 227 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|2,0,0]=4 228 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|2,0,0]=4 229 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|2,0,0]=4 230 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|0,1,1]=4 231 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [1,1,0,0,0,0|1,0,1]=4 232 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [1,1,0,0,0,0|1,0,1]=4 233 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [1,1,0,0,0,0|1,0,1]=4 234 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [1,1,0,0,0,0|1,0,1]=4 235 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,1,0,0,0,0|1,0,1]=4 236 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [1,1,0,0,0,0|0,0,0]=2 239 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [1,1,0,0,0,0|1,0,1]=4 240 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [1,1,0,0,0,0|1,0,1]=4 241 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [1,1,0,0,0,0|1,0,1]=4 242 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [1,1,0,0,0,0|0,0,2]=4 244 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [1,1,0,0,0,0|1,0,1]=4 245 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [1,1,0,0,0,0|1,0,1]=4 246 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [1,1,0,0,0,0|1,0,1]=4 247 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [1,1,0,0,0,0|1,0,1]=4 253 B12R1.71 CCCCC1=CC=C(C=C1)CN CDS001572 [1,1,0,0,0,0|1,0,1]=4 254 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [1,1,0,0,0,0|1,0,1]=4 255 B12R1.71 [C-]#[N+]CCC1=CC=C(C=C1)OC PH015493 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [1,1,0,0,0,0|0,0,2]=4 258 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|0,0,0]=2 259 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [1,1,0,0,0,0|2,0,0]=4 260 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [1,1,0,0,0,0|2,0,0]=4 261 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [1,1,0,0,0,0|1,1,0]=4 263 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [1,1,0,0,0,0|1,1,0]=4 265 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [1,1,0,0,0,0|1,0,0]=3 266 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.27 O=C(CBr)NCC1=NC=CC=C1 PH015342 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [1,1,0,0,0,0|0,0,0]=2 271 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,1,0,0,0,0|1,0,0]=3 281 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [1,1,0,0,0,0|2,0,0]=4 288 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,1,0,0,0,0|1,0,0]=3 289 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [1,1,0,0,0,0|1,0,0]=3 303 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [1,1,0,0,0,0|1,0,0]=3 312 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [1,1,0,0,0,0|1,1,0]=4 314 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [0,1,0,0,1,0|1,0,0]=3 316 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [0,1,0,0,1,0|2,0,0]=4 317 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [0,1,0,0,1,0|2,0,0]=4 319 B12R1.4 COC1=CC=C(C=C1)CC(=N)N PH014588 [0,1,0,0,1,0|2,0,0]=4 320 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [0,1,0,0,1,0|1,0,0]=3 321 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [0,1,0,0,1,0|1,1,0]=4 324 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl S753084 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)C S752061 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.19 CC(=O)NC1=CC(=C(C=C1)Cl)Cl S360244 [0,1,0,0,1,0|2,0,0]=4 327 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)Cl S388254 [0,1,0,0,1,0|2,0,0]=4 328 B12R1.19 CC(=O)NC1=CC(=C(C=C1)F)F S500682 [0,1,0,0,1,0|2,0,0]=4 329 B12R1.19 CC(=O)NC1=CC(=C(C=C1)I)C L168084 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.19 CC(=O)NC1=CC=C(C(=C1)C)N CBR02022 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C CBR00068 [0,1,0,0,1,0|2,0,0]=4 332 B12R1.19 CC(=O)OC1=CC(=C(C=C1)C)C S240591 [0,1,0,0,1,0|2,0,0]=4 333 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)Cl)Cl PH016732 [0,1,0,0,1,0|2,0,0]=4 334 B12R1.19 O=C(Cl)CC1=CC=C(C(=C1)F)F CDS012016 [0,1,0,0,1,0|2,0,0]=4 335 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CDS004577 [0,1,0,0,1,0|1,0,0]=3 336 B12R1.19 O=C(O)CC1=CC=C(C(=C1)F)Cl CDS022092 [0,1,0,0,1,0|2,0,0]=4 337 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [0,1,0,0,1,0|2,0,0]=4 338 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [0,1,0,0,1,0|2,0,0]=4 339 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [0,1,0,0,1,0|2,0,0]=4 340 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,1,0,0,1,0|2,0,0]=4 341 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,1,0,0,1,0|1,0,0]=3 342 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,1,0,0,1,0|2,0,0]=4 343 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,1,0,0,1,0|2,0,0]=4 344 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)Cl PH009147 [0,1,0,0,1,0|2,0,0]=4 345 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,1,0,0,1,0|1,0,0]=3 346 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)Br S778214 [0,1,0,0,1,0|2,0,0]=4 347 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,1,0,0,1,0|2,0,0]=4 348 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)Br PH006836 [0,1,0,0,1,0|2,0,0]=4 349 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,1,0,0,1,0|2,0,0]=4 350 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)I PH005832 [0,1,0,0,1,0|2,0,0]=4 351 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F S754757 [0,1,0,0,1,0|2,0,0]=4 352 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,1,0,0,1,0|2,0,0]=4 353 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)Cl PH011376 [0,1,0,0,1,0|2,0,0]=4 354 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,1,0,0,1,0|1,0,0]=3 355 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,1,0,0,1,0|2,0,0]=4 356 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Cl R591629 [0,1,0,0,1,0|2,0,0]=4 357 B12R1.233 CC(=O)NC1=CC=C(C=C1I)Br R648612 [0,1,0,0,1,0|2,0,0]=4 358 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,1,0,0,1,0|2,0,0]=4 359 B14R1.4 C=C(C)COCC1=CC=C(C=C1)OC T268909 [0,1,0,0,0,1|1,0,0]=3 360 B14R1.4 COC1=CC=C(C=C1)/C=N/NC(=O)C R708372 [0,1,0,0,0,1|1,0,1]=4 361 B14R1.4 COC1=CC=C(C=C1)CCNC(=S)N PH010896 [0,1,0,0,0,1|1,1,0]=4 362 B14R1.4 COC1=CC=C(C=C1)NCCN(C)C PH009971 [0,1,0,0,0,1|2,0,0]=4 363 B14R1.4 COC1=CC=C(C=C1)OCCC(=O)O S542938 [0,1,0,0,0,1|1,0,0]=3 364 B14R1.4 COC1=CC=C(C=C1)OCCN(C)C PH012069 [0,1,0,0,0,1|2,0,0]=4 365 B14R1.4 CSC1=CC=C(C=C1)CCCC(=O)O JRD0698 [0,1,0,0,0,1|1,1,0]=4 366 B14R1.4 N#CC1=CC=C(C=C1)CSCC(=O)O EME00127 [0,1,0,0,0,1|2,0,0]=4 367 B14R1.4 N#CC1=CC=C(C=C1)CSCC(=O)O OTV000786 [0,1,0,0,0,1|2,0,0]=4 368 B14R1.13 CCC(=O)NCCC1=CC=C(C=C1)Br R343358 [0,1,0,0,0,1|1,0,0]=3 369 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N CDS021206 [0,1,0,0,0,1|1,0,0]=3 370 B14R1.13 COC(=O)CCSC1=CC=C(C=C1)Cl S614327 [0,1,0,0,0,1|1,0,0]=3 371 B14R1.13 COC(=O)CSCC1=CC=C(C=C1)Cl S620289 [0,1,0,0,0,1|1,0,0]=3 372 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl TMT00614 [0,1,0,0,0,1|1,0,0]=3 373 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Br PH005212 [0,1,0,0,0,1|1,0,1]=4 374 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Cl PH000535 [0,1,0,0,0,1|1,0,1]=4 375 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br S82261 [0,1,0,0,0,1|1,0,1]=4 376 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O T195227 [0,1,0,0,0,1|2,0,0]=4 377 B14R1.678 NC1=CC=C(C=C1)C(=O)CCC(=O)O PH002256 [0,1,0,0,0,1|2,0,0]=4 378 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O T136271 [0,1,0,0,0,1|1,0,0]=3 379 B14R1.678 O=C(O)CSC(=S)C1=CC=C(C=C1)O PH007939 [0,1,0,0,0,1|1,0,1]=4 380 B14R1.679 CC(CNC1=CC=C(C=C1)Cl)C(=O)O PH010346 [0,1,0,0,0,1|2,0,0]=4 381 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [0,1,0,0,0,1|2,0,0]=4 382 B14R1.687 CC1=CC=C(C=C1C)CCCC(=O)O S714461 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.687 CC1=CC=C(C=C1C)OCCC(=O)O PH009804 [0,1,0,0,0,1|2,0,0]=4 384 B14R1.698 CC(=O)CC(=NC1=CC=C(C=C1)C)C S532290 [0,1,0,0,0,1|1,0,1]=4 385 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Br R956910 [0,1,0,0,0,1|1,0,1]=4 386 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Br S420026 [0,1,0,0,0,1|1,0,1]=4 387 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)S R622605 [0,1,0,0,0,1|0,1,1]=4 388 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [0,1,0,0,0,1|2,0,0]=4 389 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.4464 CC(=O)N/N=C/C1=C(C=C(C=C1)O)O R708593 [0,1,0,0,0,1|1,0,1]=4 391 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Br)F EME00121 [0,1,0,0,0,1|2,0,0]=4 392 B14R1.4464 O=C(O)CSCC1=C(C=C(C=C1)Cl)Cl EME00130 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.2 CCC1=CC=C(C=C1)C(C)CC(=O)O T135844 [0,2,0,0,0,0|2,0,0]=4 394 B14R1.2 CCC1=CC=C(C=C1)C(N)CC(=O)O KOB0038 [0,2,0,0,0,0|2,0,0]=4 395 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)N PH003869 [0,2,0,0,0,0|1,0,0]=3 396 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R594881 [0,2,0,0,0,0|1,0,0]=3 397 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R595446 [0,2,0,0,0,0|1,0,0]=3 398 B14R1.2 N#CC1=CC=C(C=C1)C(N)CC(=O)O KOB0005 [0,2,0,0,0,0|2,0,0]=4 399 B14R1.3 COC1=CC=C(C=C1)CC(Br)C(=O)O L129216 [0,2,0,0,0,0|1,0,0]=3 400 B14R1.5 CCC(=O)NCC1=CC=C(C=C1)OC R343323 [0,2,0,0,0,0|1,0,0]=3 401 B14R1.5 CNC(=O)OCC1=CC=C(C=C1)OC PH009130 [0,2,0,0,0,0|1,0,0]=3 402 B14R1.5 COC(=O)CCC1=CC=C(C=C1)CN CDS000982 [0,2,0,0,0,0|1,0,0]=3 403 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O EME00181 [0,2,0,0,0,0|1,0,1]=4 404 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN CDS004132 [0,2,0,0,0,0|1,0,0]=3 405 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl R468185 [0,2,0,0,0,0|1,0,0]=3 406 B14R1.103 COC1=CC=C(C(=C1)C)CCC(=O)O R238368 [0,2,0,0,0,0|1,0,0]=3 407 B14R1.142 CCOC1=CC=C(C=C1)CCC(=O)O PH011716 [0,2,0,0,0,0|1,0,0]=3 408 B14R1.211 COC1=CC=C(C=C1)CC[N+](C)(C)C S425621 [0,2,0,0,0,0|2,0,0]=4 409 B14R1.419 CC(=O)COC1=CC=C(C=C1)[N+](=O)[O-] R261998 [0,2,0,0,0,0|1,0,1]=4 410 B14R1.419 CC(=O)NCC1=CC=C(C=C1)B(O)O CDS005489 [0,2,0,0,0,0|1,0,0]=3 411 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=O)O PH011524 [0,2,0,0,0,0|1,0,0]=3 412 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(=S)N BOG00235 [0,2,0,0,0,0|1,1,0]=4 413 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(C)C S528080 [0,2,0,0,0,0|2,0,0]=4 414 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] S562262 [0,2,0,0,0,0|1,0,1]=4 415 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O CBR00814 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.419 NC(=O)COC1=CC=C(C=C1)C(=O)O CDS011498 [0,2,0,0,0,0|2,0,0]=4 417 B14R1.419 O=C(O)CCC1=CC=C(C=C1)B(O)O CDS004842 [0,2,0,0,0,0|1,0,0]=3 418 B14R1.419 O=C(O)CSC1=CC=C(C=C1)C(=O)O R586900 [0,2,0,0,0,0|2,0,0]=4 419 B14R1.3653 COC1=C(C=C(C=C1)CCC(=O)O)Br S102350 [0,2,0,0,0,0|1,0,0]=3 420 B14R1.3653 COC1=CC=C(C=C1C)CCC(=O)O S953792 [0,2,0,0,0,0|1,0,0]=3 421 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CDS006461 [0,2,0,0,0,0|1,0,0]=3 422 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CDS000077 [0,2,0,0,0,0|0,0,1]=3 423 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Br JRD1265 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)C JRD1263 [0,2,0,0,0,0|2,0,0]=4 425 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)Cl JRD1264 [0,2,0,0,0,0|2,0,0]=4 426 B14R1.134 COC(=O)C(C)OC1=CC=C(C=C1)F EME00163 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl PH016711 [0,2,0,0,0,0|1,0,0]=3 428 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)O S457787 [0,2,0,0,0,0|0,0,0]=2 429 B14R1.502 CCNC(=O)NCC1=CC=C(C=C1)C S900125 [0,2,0,0,0,0|2,0,0]=4 430 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O S582131 [0,2,0,0,0,0|0,0,0]=2 431 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Br PH009987 [0,2,0,0,0,0|2,0,0]=4 432 B14R1.502 CCOC(=O)CNC1=CC=C(C=C1)Cl PH011710 [0,2,0,0,0,0|2,0,0]=4 433 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PH010408 [0,2,0,0,0,0|2,0,0]=4 434 B14R1.502 CNCC(=O)NCC1=CC=C(C=C1)F PH017400 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.502 N#CCC(=O)NCC1=CC=C(C=C1)Cl R370649 [0,2,0,0,0,0|2,0,0]=4 436 B14R1.502 N#CCC(=O)NCC1=CC=C(C=C1)F CDS021674 [0,2,0,0,0,0|2,0,0]=4 437 B14R1.833 COC(=O)COC1=CC(=C(C=C1)N)C CDS021038 [0,2,0,0,0,0|2,0,0]=4 438 B14R1.833 O=C(CCl)NCC1=CC=C(C(=C1)Cl)Cl PH010566 [0,2,0,0,0,0|2,0,0]=4 439 B14R1.685 CC(=O)CC(=O)C1=CC(=C(C=C1)C)C PH011723 [0,2,0,0,0,0|1,0,1]=4 440 B14R1.685 CC(=O)CC(=O)C1=CC=C(C(=C1)Cl)Cl PH002890 [0,2,0,0,0,0|1,0,1]=4 441 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)Br L128104 [0,2,0,0,0,0|2,0,0]=4 442 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl BBO000722 [0,2,0,0,0,0|2,0,0]=4 443 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl CDS006137 [0,2,0,0,0,0|2,0,0]=4 444 B14R1.694 CC(=O)CC(C)(C)C1=CC=C(C=C1)C S941557 [0,2,0,0,0,0|1,0,0]=3 445 B14R1.694 CC(=O)CS(=O)(=O)C1=CC=C(C=C1)C S454745 [0,2,0,0,0,0|2,0,0]=4 446 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O CDS010801 [0,2,0,0,0,0|2,0,0]=4 447 B14R1.1019 CCC(CC(=O)O)C1=CC=C(C=C1)C T135925 [0,2,0,0,0,0|2,0,0]=4 448 B14R1.6048 CC(=O)CC(=O)C1=C(C=C(C=C1)C)O S808873 [0,2,0,0,0,0|1,0,1]=4 449 B14R1.6048 CS(=O)CC(=O)C1=CC=C(C=C1O)O PH007734 [0,2,0,0,0,0|1,0,1]=4 450 B14R1.6048 NC(CC(=O)O)C1=CC=C(C=C1Cl)Cl BBO000367 [0,2,0,0,0,0|2,0,0]=4 451 B14R1.536 COC(CC1=CC=C(C=C1)Br)C(=O)O PH018906 [0,2,0,0,0,0|2,0,0]=4 452 B14R1.536 COC(CC1=CC=C(C=C1)I)C(=O)O PH016333 [0,2,0,0,0,0|2,0,0]=4 453 B14R1.6049 CC(=O)C(C)OC1=C(C=C(C=C1)Cl)Cl EME00147 [0,2,0,0,0,0|2,0,0]=4 454 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]=4 455 B14R1.6049 CC1=CC=C(C(=C1)O)CC(N)C(=O)O S749745 [0,2,0,0,0,0|2,0,0]=4 456 B14R1.6049 NC(CC1=CC=C(C=C1Cl)Cl)C(=O)O PH010886 [0,2,0,0,0,0|2,0,0]=4 457 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,2,0,0,0,0|1,0,0]=3 458 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [0,2,0,0,0,0|1,0,0]=3 459 B14R1.3152 CC(=O)COC1=C(C=C(C=C1Br)Br)Br S17508 [0,2,0,0,0,0|2,0,0]=4 460 B14R1.6036 CC(=O)NCC1=C(C=C(C(=C1)C)C)C S356654 [0,2,0,0,0,0|2,0,0]=4 461 B14R1.15552 CC(=O)CCC1=CC(=C(C(=C1)C)O)C S290920 [0,2,0,0,0,0|0,0,0]=2 462 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [1,0,0,1,0,0|1,0,1]=4 463 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [1,0,0,1,0,0|2,0,0]=4 464 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [1,0,0,1,0,0|2,0,0]=4 465 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [1,0,0,1,0,0|1,0,1]=4 466 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [1,0,0,1,0,0|2,0,0]=4 467 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [1,0,0,1,0,0|2,0,0]=4 468 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [1,0,0,1,0,0|1,0,0]=3 469 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [1,0,0,1,0,0|2,0,0]=4 470 B12R2.606 CC1=NC2=CC(=CC=C2N1)O CBR02477 [0,0,0,1,1,0|2,0,0]=4 471 B12R2.606 CC1=NC2=CC(=CC=C2O1)O CDS003560 [0,0,0,1,1,0|2,0,0]=4 472 B12R2.606 CC1=NC2=CC=C(C=C2O1)O CDS009773 [0,0,0,1,1,0|1,0,1]=4 473 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CDS004194 [0,0,0,1,1,0|1,0,0]=3 474 B12R2.606 O=C1OC2=C(S1)C=C(C=C2)O R584991 [0,0,0,1,1,0|2,0,0]=4 475 B14R2.20 CC1=NNC(C1)C2=CC=C(C=C2)O S760544 [0,0,0,1,0,1|2,0,0]=4 476 B14R2.20 O=C1CCN(C1)C2=CC=C(C=C2)F CBR00490 [0,0,0,1,0,1|1,0,0]=3 477 B14R2.134 COC1=CC2=C(C=C1)CCC(=O)O2 IDF00007 [0,1,0,1,0,0|1,0,0]=3 478 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 JRD0383 [0,1,0,1,0,0|2,0,0]=4 479 B14R2.134 O=C1COC2=CC=C(C=C2N1)CO JRD0945 [0,1,0,1,0,0|2,0,0]=4 480 B14R2.4513 CN1C(=O)COC2=CC=C(C=C12)N CBR00203 [0,1,0,1,0,0|2,0,0]=4 481 B14R2.4529 CC1=CC=C2CC(CC2=C1)C(=O)O PH017368 [0,1,0,1,0,0|2,0,0]=4 482 B14R2.4529 CC1=CC=C2CC(SC2=C1)C(=O)O T326569 [0,1,0,1,0,0|2,0,0]=4 483 B14R2.8239 CC1=C(C=C2CCC(=O)CC2=C1)Br PH018806 [0,1,0,1,0,0|1,0,0]=3 484 B14R2.8239 CC1=CC2=C(C=C1Cl)CCC(=O)O2 IDF00016 [0,1,0,1,0,0|2,0,0]=4 485 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [1,0,0,0,1,0|2,0,0]=4 486 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,1,0|1,0,0]=3 487 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,1,0|1,0,0]=3 488 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,1,0|1,0,0]=3 489 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [1,0,0,0,1,0|2,0,0]=4 490 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,1,0|1,0,0]=3 491 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,1,0|1,0,0]=3 492 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,0,0,0,1,0|2,0,0]=4 493 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,1,0|2,0,0]=4 494 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,1,0|2,0,0]=4 495 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,1,0|2,0,0]=4 496 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,1,0|2,0,0]=4 497 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,1,0|2,0,0]=4 498 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,0,0,0,1,0|2,0,0]=4 499 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,0,0,0,1,0|2,0,0]=4 500 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,0,0,0,1,0|2,0,0]=4 501 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,1,0|2,0,0]=4 502 B10R1.66 CC(=O)CCN1C=CC=N1 S533009 [1,0,0,0,1,0|2,0,0]=4 503 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [0,0,0,0,2,0|2,0,0]=4 504 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [0,0,0,0,2,0|2,0,0]=4 506 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [0,0,0,0,2,0|2,0,0]=4 507 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [0,0,0,0,2,0|2,0,0]=4 508 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [0,0,0,0,2,0|2,0,0]=4 509 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [0,0,0,0,2,0|2,0,0]=4 510 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [0,0,0,0,2,0|2,0,0]=4 511 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [0,0,0,0,2,0|1,1,0]=4 512 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [0,0,0,0,2,0|2,0,0]=4 513 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [0,0,0,0,2,0|2,0,0]=4 514 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [0,0,0,0,2,0|2,0,0]=4 515 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [0,0,0,0,2,0|2,0,0]=4 516 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [1,0,0,0,0,1|1,0,1]=4 517 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [1,0,0,0,0,1|1,0,1]=4 518 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [1,0,0,0,0,1|0,0,0]=2 519 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [1,0,0,0,0,1|0,0,0]=2 520 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [1,0,0,0,0,1|1,0,1]=4 521 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [1,0,0,0,0,1|0,0,0]=2 522 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [1,0,0,0,0,1|1,0,0]=3 523 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [1,0,0,0,0,1|1,0,0]=3 524 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,0,0,0,0,1|1,0,1]=4 525 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,0,0,0,0,1|1,0,1]=4 526 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,0,0,0,0,1|0,0,2]=4 527 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,0,0,0,0,1|0,0,2]=4 528 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,0,0,0,0,1|0,0,2]=4 529 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,0,0,0,0,1|0,0,2]=4 530 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,0,0,0,0,1|0,0,2]=4 531 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [1,0,0,0,0,1|2,0,0]=4 532 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [1,0,0,0,0,1|1,0,0]=3 533 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [1,0,0,0,0,1|1,0,0]=3 534 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [1,0,0,0,0,1|1,0,0]=3 535 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [1,0,0,0,0,1|1,1,0]=4 536 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [1,0,0,0,0,1|1,0,0]=3 537 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [1,0,0,0,0,1|1,0,0]=3 538 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [1,0,0,0,0,1|1,0,0]=3 539 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [1,0,0,0,0,1|1,0,0]=3 540 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [1,0,0,0,0,1|2,0,0]=4 541 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,0,0,0,0,1|1,1,0]=4 542 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)C R413992 [0,0,0,0,0,2|1,0,0]=3 543 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)Cl R415103 [0,0,0,0,0,2|1,0,0]=3 544 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)F R703745 [0,0,0,0,0,2|1,0,0]=3 545 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br JRD1063 [0,0,0,0,0,2|2,0,0]=4 546 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl JRD1061 [0,0,0,0,0,2|2,0,0]=4 547 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F JRD1062 [0,0,0,0,0,2|2,0,0]=4 548 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F OTV000983 [0,0,0,0,0,2|2,0,0]=4