0 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [0,0,0,0,0,0|3,0,1]=4 12 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,0,0,0,0,0|2,0,2]=4 15 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,0,0,0,0,0|2,0,2]=4 16 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,0,0,0,0,0|2,0,2]=4 17 B12R1.252 N=C(N)CCCC1=CC=CC=N1 PH015391 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,0,0,0,0,0|2,1,0]=3 23 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [0,0,0,0,0,0|2,1,0]=3 29 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,0,0,0,0,0|0,0,3]=4 38 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,0,0,0,0,0|2,0,0]=3 41 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [1,0,0,0,0,0|3,0,0]=4 45 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,0,0,0,0,0|2,0,1]=4 46 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,1,0,0,0,0|1,0,1]=3 47 B13R1.45 CC(=O)N/N=C(\C)/C1=CC=CC=C1 PH009310 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,1,0,0,0,0|2,0,1]=4 49 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,1,0,0,0,0|0,0,1]=2 50 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [0,1,0,0,0,0|0,0,0]=1 51 B13R1.45 CC(C)NCC(Cl)C1=CC=CC=C1 PH007698 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 PH006879 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 PH009924 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.149 CC(=O)N/N=C/C1=CC(=CC=C1)F S925101 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br EME00137 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.158 CC(=O)N/N=C/C1=C(C=CC=C1)O S779687 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,1,0,0,0,0|2,0,0]=3 60 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.158 N=C(N)CCCC1=C(C=CC=C1)Cl PH015537 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F EME00439 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [0,1,0,0,0,0|2,0,0]=3 64 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,1,0,0,0,0|1,0,2]=4 66 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,1,0,0,0,0|2,1,0]=4 69 B13R1.348 CN(C)CC(Cl)CC1=CC=CC=C1 PH012586 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.351 CC(=O)/C(=N/NC1=CC=CC=C1)/C S17265 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.351 CC(=O)/C(=N\NC1=CC=CC=C1)/Cl S282227 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,0|2,0,0]=3 76 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 PH000319 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,1,0,0,0,0|3,0,0]=4 78 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)C R709700 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)Cl R709999 [0,1,0,0,0,0|2,0,1]=4 82 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)O R749648 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.513 CN(C)CCCC1=CC=C(C=C1)N CDS004275 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [0,1,0,0,0,0|3,0,0]=4 88 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [0,1,0,0,0,0|3,0,0]=4 91 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [0,1,0,0,0,0|3,0,0]=4 92 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,1,0,0,0,0|1,0,0]=2 93 B13R1.718 COC(=O)CCNC1=NC=CC=C1 EME00312 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,1,0,0,0,0|2,0,0]=3 96 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,1,0,0,0,0|2,0,0]=3 97 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 CDS006204 [0,1,0,0,0,0|1,0,0]=2 99 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 R397792 [0,1,0,0,0,0|1,0,0]=2 100 B13R1.3523 CS(=O)(=O)CCOC1=CC=CC=C1 PH007511 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.3523 CS(=O)(=O)NCCC1=CC=CC=C1 PH004503 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.10 BrC1=NOC(C1)C2=CC=CC=C2 SYX00179 [0,0,0,1,0,0|3,0,0]=4 103 B13R2.10 CC1=CC(=NO1)C2=CC=CC=C2 PH004014 [0,0,0,1,0,0|2,0,1]=4 104 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 CDS000772 [0,0,0,1,0,0|2,0,1]=4 105 B13R2.10 CC1=NNC(C1)C2=CC=CC=C2 PH013767 [0,0,0,1,0,0|3,0,0]=4 106 B13R2.10 N1N=C(CC1=O)C2=CC=CC=C2 S944661 [0,0,0,1,0,0|2,0,1]=4 107 B13R2.10 O=C1C=CN(C1)C2=CC=CC=C2 R464171 [0,0,0,1,0,0|2,0,1]=4 108 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,1,0,0|3,0,0]=4 109 B13R2.10 O=C1[CH-][N+](=NO1)C2=CC=CC=C2 R818488 [0,0,0,1,0,0|2,0,1]=4 110 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,1,0,0|2,1,0]=4 111 B13R2.72 CC(=O)C1=NNC2=CC=CC=C12 CDS005905 [0,0,0,1,0,0|3,0,0]=4 112 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [0,0,0,1,0,0|2,0,0]=3 113 B13R2.72 NC(=S)N1CCC2=C1C=CC=C2 CBR00555 [0,0,0,1,0,0|2,1,0]=4 114 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 MNO000013 [0,0,0,1,0,0|2,0,1]=4 115 B13R2.72 O=C(O)C1CCC2=CC=CC=C12 CDS014135 [0,0,0,1,0,0|2,0,0]=3 116 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [0,0,0,1,0,0|3,0,0]=4 117 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,0,0,1,0,0|1,0,0]=2 118 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,0,0,1,0,0|2,0,0]=3 119 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,0,0,1,0,0|3,0,0]=4 120 B13R2.163 OC1CCCC2=C(C1)C=CC=C2 S58158 [0,0,0,1,0,0|1,0,2]=4 121 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [0,0,0,1,0,0|3,0,0]=4 122 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,0,0,1,0,0|3,0,0]=4 123 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,1,0|1,0,2]=4 124 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,0,0,0,1,0|0,0,2]=3 125 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,1,0|2,0,0]=3 126 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,1,0|2,0,0]=3 127 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,1,0|2,0,1]=4 128 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,1,0|2,0,1]=4 129 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,1,0|1,0,0]=2 130 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,1,0|2,0,0]=3 131 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,1,0|1,0,0]=2 132 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,0,0,0,1,0|2,0,1]=4 133 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,0,0,0,1,0|2,0,1]=4 134 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,0,0,0,1,0|2,0,1]=4 135 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,0,0,0,1,0|1,0,1]=3 136 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,1,0|1,0,1]=3 137 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,0,0,1,0|2,0,1]=4 138 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [0,0,0,0,1,0|3,0,0]=4 139 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,0,0,0,1,0|3,0,0]=4 140 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,0,0,0,1,0|3,0,0]=4 141 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,1,0|2,0,0]=3 142 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,0,0,0,1,0|2,0,1]=4 143 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,1,0|2,0,0]=3 144 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,0,0,0,1,0|3,0,0]=4 145 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,1,0|3,0,0]=4 146 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,1,0|3,0,0]=4 147 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,1,0|2,0,0]=3 148 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,1,0|2,0,0]=3 149 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,1,0|2,0,0]=3 150 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,1,0|2,0,0]=3 151 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,1,0|2,1,0]=4 152 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,1,0|2,1,0]=4 153 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,1,0|2,1,0]=4 154 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,1,0|1,0,2]=4 155 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,1,0|2,0,0]=3 156 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,1,0|3,0,0]=4 157 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,1,0|3,0,0]=4 158 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,1,0|3,0,0]=4 159 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,1,0|3,0,0]=4 160 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,1,0|1,0,2]=4 161 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,1,0|1,0,2]=4 162 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,1,0|1,0,2]=4 163 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,1,0|2,0,0]=3 164 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,1,0|2,0,0]=3 165 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,1,0|2,0,0]=3 166 B11R1.172 CC(=O)NCCC1=CC=CO1 EME00428 [0,0,0,0,1,0|2,0,0]=3 167 B11R1.172 CC(=O)NCCC1=CN=CN1 R269115 [0,0,0,0,1,0|3,0,0]=4 168 B13R1.337 CC(=CCCOC1=CC=CC=C1)C S36987 [0,0,0,0,0,1|2,0,0]=3 169 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [0,0,0,0,0,1|0,0,0]=1 170 B13R1.337 N=C(N)NCCOC1=CC=CC=C1 PH012552 [0,0,0,0,0,1|3,0,0]=4 171 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 S620157 [0,0,0,0,0,1|2,0,0]=3 172 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [0,0,0,0,0,1|1,0,0]=2 173 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 CDS000728 [0,0,0,0,0,1|2,0,0]=3 174 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 PH010076 [0,0,0,0,0,1|2,0,0]=3 175 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [0,0,0,0,0,1|2,0,0]=3 176 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 S541575 [0,0,0,0,0,1|2,0,0]=3 177 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 S541567 [0,0,0,0,0,1|1,1,0]=3 178 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [2,0,0,0,0,0|1,0,1]=4 179 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [2,0,0,0,0,0|1,0,1]=4 182 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [2,0,0,0,0,0|2,0,0]=4 185 B10R1.17 CNCCC1=NC=CC=C1 R750492 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.17 COCCC1=CC=NC=C1 PH007374 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [2,0,0,0,0,0|1,1,0]=4 188 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [2,0,0,0,0,0|2,0,0]=4 189 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [2,0,0,0,0,0|0,1,1]=4 190 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [1,1,0,0,0,0|1,0,0]=3 192 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [1,1,0,0,0,0|0,0,2]=4 200 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.28 CCOCCC1=CC=CC(=N1)C S361399 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,1,0,0,1,0|1,0,1]=4 209 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,1,0,0,1,0|0,0,2]=4 210 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,1,0,0,1,0|0,0,2]=4 211 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,0,0,1,0|0,0,2]=4 212 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,1,0|1,0,0]=3 214 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,1,0|0,0,0]=2 215 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,1,0,0,1,0|1,0,1]=4 216 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,1,0,0,1,0|2,0,0]=4 218 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,1,0,0,1,0|2,0,0]=4 219 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,1,0|1,0,0]=3 222 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,1,0,0,1,0|2,0,0]=4 224 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,1,0,0,1,0|2,0,0]=4 225 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,1,0,0,1,0|2,0,0]=4 226 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,1,0|1,0,0]=3 228 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,1,0|1,0,0]=3 229 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,1,0|1,0,0]=3 230 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,1,0|2,0,0]=4 231 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,1,0|2,0,0]=4 232 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,1,0,0,1,0|2,0,0]=4 233 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,1,0|1,0,0]=3 235 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,1,0|1,0,0]=3 236 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,1,0,0,1,0|2,0,0]=4 237 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,1,0|1,0,0]=3 238 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,1,0,0,1,0|2,0,0]=4 239 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,1,0,0,1,0|2,0,0]=4 240 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,1,0,0,1,0|2,0,0]=4 241 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,1,0,0,1,0|2,0,0]=4 242 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,1,0,0,1,0|2,0,0]=4 243 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,1,0,0,1,0|2,0,0]=4 245 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,1,0,0,1,0|2,0,0]=4 246 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,1,0,0,1,0|1,0,0]=3 247 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [0,1,0,0,1,0|1,0,0]=3 248 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [0,1,0,0,1,0|1,0,0]=3 249 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,1,0,0,1,0|2,0,0]=4 250 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,1,0,0,1,0|2,0,0]=4 251 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,1,0,0,1,0|2,0,0]=4 252 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [0,1,0,0,1,0|2,0,0]=4 253 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,1,0,0,1,0|2,0,0]=4 255 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,1,0,0,1,0|2,0,0]=4 256 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,1,0,0,1,0|2,0,0]=4 257 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,1,0,0,1,0|1,0,0]=3 258 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,1,0,0,1,0|2,0,0]=4 259 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,1,0,0,1,0|2,0,0]=4 260 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,1,0,0,1,0|2,0,0]=4 261 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,1,0,0,1,0|1,0,0]=3 262 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,1,0,0,1,0|2,0,0]=4 263 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,1,0,0,1,0|2,0,0]=4 264 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,1,0,0,1,0|2,0,0]=4 265 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,1,0,0,1,0|1,0,0]=3 266 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,1,0,0,1,0|1,0,0]=3 267 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,0,0,1,0|2,0,0]=4 268 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [0,1,0,0,1,0|1,0,1]=4 269 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [0,1,0,0,1,0|1,1,0]=4 270 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,1,0,0,1,0|2,0,0]=4 271 B12R1.477 COC(=O)CCCC1=CC=CS1 EME00030 [0,1,0,0,1,0|2,0,0]=4 272 B14R1.159 CC(=O)NCCOC1=CC=CC=C1Cl R703737 [0,1,0,0,0,1|1,0,0]=3 273 B14R1.159 CC1=C(C=CC=C1)SCCCC(=O)O PH011741 [0,1,0,0,0,1|2,0,0]=4 274 B14R1.159 O=C(O)CCCOC1=C(C=CC=C1)Cl OTV000105 [0,1,0,0,0,1|2,0,0]=4 275 B14R1.159 O=C(O)CCOCC1=CC=CC=C1F ANV00320 [0,1,0,0,0,1|2,0,0]=4 276 B14R1.420 C/C(=C\CNC(C)C1=CC=CC=C1)/Cl CDS017601 [0,1,0,0,0,1|2,0,0]=4 277 B14R1.423 CC(=O)NNC(=O)CC1=CC=CC=C1 S669989 [0,1,0,0,0,1|1,0,1]=4 278 B14R1.423 CC(=O)OC[C@@H](C)CC1=CC=CC=C1 T287105 [0,1,0,0,0,1|0,0,0]=2 279 B14R1.423 O=C(O)CCS(=O)CC1=CC=CC=C1 PH010240 [0,1,0,0,0,1|2,0,0]=4 280 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)C R413992 [0,1,0,0,0,1|1,0,0]=3 281 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)Cl R415103 [0,1,0,0,0,1|1,0,0]=3 282 B14R1.677 CC(=O)NCCOC1=CC=C(C=C1)F R703745 [0,1,0,0,0,1|1,0,0]=3 283 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Br JRD1063 [0,1,0,0,0,1|2,0,0]=4 284 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)Cl JRD1061 [0,1,0,0,0,1|2,0,0]=4 285 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F JRD1062 [0,1,0,0,0,1|2,0,0]=4 286 B14R1.677 O=C(O)CCCOC1=CC=C(C=C1)F OTV000983 [0,1,0,0,0,1|2,0,0]=4 287 B14R1.716 CCC(=O)OCCCC1=CC=CC=C1 S528544 [0,1,0,0,0,1|0,0,0]=2 288 B14R1.716 CCC(=O)OCCOC1=CC=CC=C1 S528463 [0,1,0,0,0,1|0,0,0]=2 289 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 PH011057 [0,1,0,0,0,1|1,0,0]=3 290 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 S614165 [0,1,0,0,0,1|1,0,0]=3 291 B14R1.716 COC(=O)NNCCC1=CC=CC=C1 PH007754 [0,1,0,0,0,1|1,0,0]=3 292 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 TMT00612 [0,1,0,0,0,1|1,0,0]=3 293 B14R1.716 O=C(CCl)OCC=CC1=CC=CC=C1 S240230 [0,1,0,0,0,1|0,0,1]=3 294 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 S357170 [0,1,0,0,0,1|1,0,1]=4 295 B14R1.818 CC(=O)OC(C)CCC1=CC=CC=C1 S460575 [0,1,0,0,0,1|0,0,0]=2 296 B14R1.818 CC(=O)OC(C)COC1=CC=CC=C1 PH006975 [0,1,0,0,0,1|0,0,0]=2 297 B14R1.3331 CS(=O)(=O)NCCOC1=CC=CC=C1 TMT00207 [0,1,0,0,0,1|2,0,0]=4 298 B14R1.3331 CS(=O)(=O)OCCCC1=CC=CC=C1 PH008812 [0,1,0,0,0,1|1,0,0]=3 299 B14R1.3331 CS(=O)(=O)OCCOC1=CC=CC=C1 S877239 [0,1,0,0,0,1|1,0,0]=3 300 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O PH010724 [0,1,0,0,0,1|2,0,0]=4 301 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O PH010500 [0,1,0,0,0,1|2,0,0]=4 302 B14R1.6449 NC(CCOC1=CC=CC=C1)C(=O)O PH012937 [0,1,0,0,0,1|2,0,0]=4 303 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O S635022 [0,1,0,0,0,1|2,0,0]=4 304 B14R1.163 C(=C/C(C)C1=CC=CC=C1)\C(=O)OC T297879 [0,2,0,0,0,0|1,0,1]=4 305 B14R1.163 COC(=O)CNC(C)C1=CC=CC=C1 S448311 [0,2,0,0,0,0|2,0,0]=4 306 B14R1.417 CC(=O)OC(C)C(C)C1=CC=CC=C1 S495166 [0,2,0,0,0,0|0,0,0]=2 307 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Br PH005212 [0,2,0,0,0,0|1,0,1]=4 308 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)Cl PH000535 [0,2,0,0,0,0|1,0,1]=4 309 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)Br S82261 [0,2,0,0,0,0|0,0,1]=3 310 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O T195227 [0,2,0,0,0,0|2,0,0]=4 311 B14R1.813 CC(=O)CCS(=O)(=O)C1=CC=CC=C1 T223158 [0,2,0,0,0,0|2,0,0]=4 312 B14R1.687 CC1=CC=C(C=C1C)CCCC(=O)O S714461 [0,2,0,0,0,0|2,0,0]=4 313 B14R1.6072 CC1=CC=C(C(=C1)CCCC(=O)O)C S347213 [0,2,0,0,0,0|2,0,0]=4 314 B14R1.96 COC1=C(C=CC=C1)CCNC(=O)C R269107 [0,2,0,0,0,0|1,0,0]=3 315 B14R1.96 COC1=CC=CC=C1CCCC(=O)O R245194 [0,2,0,0,0,0|2,0,0]=4 316 B14R1.743 C[C@H](CC1=CC=CC=C1)NC(=O)CCl PH008164 [0,2,0,0,0,0|1,0,0]=3 317 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [0,2,0,0,0,0|1,0,0]=3 318 B14R1.679 CC1=CC=C(C=C1)CCC(O)C(=O)O PH008648 [0,2,0,0,0,0|2,0,0]=4 319 B14R1.756 CNC(=O)C(=O)NCC1=CC=CC=C1 PH002913 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.756 COC(=O)C(C)CSC1=CC=CC=C1 S614033 [0,2,0,0,0,0|2,0,0]=4 321 B14R1.756 COC(=O)C(N)CCC1=CC=CC=C1 CDS006089 [0,2,0,0,0,0|1,0,0]=3 322 B14R1.756 COC(=O)C(O)CCC1=CC=CC=C1 PH000808 [0,2,0,0,0,0|1,0,0]=3 323 B14R1.756 COC(=O)[C@H](N)CCC1=CC=CC=C1 PH019536 [0,2,0,0,0,0|1,0,0]=3 324 B14R1.4 CSC1=CC=C(C=C1)CCCC(=O)O JRD0698 [0,2,0,0,0,0|2,0,0]=4 325 B14R1.13 CCC(=O)NCCC1=CC=C(C=C1)Br R343358 [0,2,0,0,0,0|1,0,0]=3 326 B14R1.13 COC(=O)CCOC1=CC=C(C=C1)N CDS021206 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.13 COC(=O)CCSC1=CC=C(C=C1)Cl S614327 [0,2,0,0,0,0|2,0,0]=4 328 B14R1.13 COC(=O)CSCC1=CC=C(C=C1)Cl S620289 [0,2,0,0,0,0|2,0,0]=4 329 B14R1.13 O=C(CCl)NCCC1=CC=C(C=C1)Cl TMT00614 [0,2,0,0,0,0|1,0,0]=3 330 B14R1.292 O=S(=O)(CCl)CCCC1=CC=CC=C1 T163767 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 R343404 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.520 CCOC(=O)CCCC1=CC=CC=C1 S349542 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 S380792 [0,2,0,0,0,0|2,0,0]=4 334 B14R1.520 CCOC(=O)CCSC1=CC=CC=C1 PH010286 [0,2,0,0,0,0|2,0,0]=4 335 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CDS003234 [0,2,0,0,0,0|2,0,0]=4 336 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 S366129 [0,2,0,0,0,0|1,0,0]=3 337 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [1,0,0,1,0,0|1,0,1]=4 338 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [1,0,0,1,0,0|1,0,1]=4 339 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [1,0,0,1,0,0|1,0,1]=4 340 B12R2.41 C1=CC2=C(C=C1)CCCC=C2 T254290 [1,0,0,1,0,0|1,0,1]=4 341 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [1,0,0,1,0,0|1,0,0]=3 342 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [1,0,0,1,0,0|2,0,0]=4 343 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [1,0,0,1,0,0|2,0,0]=4 344 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [1,0,0,1,0,0|2,0,0]=4 345 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [1,0,0,1,0,0|2,0,0]=4 346 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [1,0,0,1,0,0|2,0,0]=4 347 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [1,0,0,1,0,0|1,0,1]=4 348 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [1,0,0,1,0,0|2,0,0]=4 349 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,1,0|2,0,0]=4 350 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,1,0|2,0,0]=4 351 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,1,0|1,0,0]=3 352 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,1,0|0,0,2]=4 353 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,1,0|1,1,0]=4 354 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,0,0,1,1,0|2,0,0]=4 355 B14R2.2 O=C(O)CC1CCC2=CC=CC=C12 CDS007741 [0,0,0,1,0,1|2,0,0]=4 356 B14R2.2 O=C([O-])CC1CNC2=C1C=CC=C2 R464317 [0,0,0,1,0,1|2,0,0]=4 357 B14R2.19 O=C1C=C(CO1)NC2=CC=CC=C2 S811505 [0,0,0,1,0,1|0,0,2]=4 358 B14R2.19 O=C1CN(CN1)CC2=CC=CC=C2 PH015293 [0,0,0,1,0,1|1,0,0]=3 359 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 PH000320 [0,0,0,1,0,1|1,0,0]=3 360 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 T313149 [0,0,0,1,0,1|2,0,0]=4 361 B14R2.21 O=C1CCCN(N1)C2=CC=CC=C2 S274887 [0,0,0,1,0,1|2,0,0]=4 362 B14R2.21 O=C1COC[C@H](N1)C2=CC=CC=C2 KOB0138 [0,0,0,1,0,1|1,0,0]=3 363 B14R2.436 O=C1CC(C1)OCC2=CC=CC=C2 KOB0140 [0,0,0,1,0,1|1,0,0]=3 364 B14R2.790 CC(=O)NC1CC1C2=CC=CC=C2 T199419 [0,0,0,1,0,1|1,0,0]=3 365 B14R2.31359 CC(=O)N1CCCC2=C1C=CC=C2 EME00252 [0,0,0,1,0,1|1,0,0]=3 366 B14R2.31359 NC(=O)N1CCCC2=C1C=CC=C2 S682365 [0,0,0,1,0,1|2,0,0]=4 367 B14R2.31359 O=C(O)C1=CCCC2=C1C=CC=C2 PH016008 [0,0,0,1,0,1|2,0,0]=4 368 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 CDS007913 [0,0,0,1,0,1|2,0,0]=4 369 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 PH009976 [0,0,0,1,0,1|2,0,0]=4 370 B14R2.9455 C1(C2C=CCC1C=C2)COC(=O)C T198730 [0,0,0,1,0,1|0,0,2]=4 371 B14R2.68 O=C1CCP(CC1)C2=CC=CC=C2 R224480 [0,1,0,1,0,0|2,0,0]=4 372 B14R2.403 CC1(OCC(O1)C2=CC=CC=C2)C S793531 [0,1,0,1,0,0|0,0,2]=4 373 B14R2.403 O=S1(=O)CCC(C1)C2=CC=CC=C2 T322024 [0,1,0,1,0,0|2,0,0]=4 374 B14R2.22 NC1=CC(=CC=C1)C2CNC(=O)C2 CDS021160 [0,1,0,1,0,0|1,0,0]=3 375 B14R2.300 CC(=O)N1CCC2=C1C=CC(=C2)Cl PH010279 [0,1,0,1,0,0|1,0,0]=3 376 B14R2.300 CC(=O)N1CCC2=C1C=CC(=C2)I PH004226 [0,1,0,1,0,0|1,0,0]=3 377 B14R2.300 CC(=O)N1CCC2=C1C=CC(=C2)N S540528 [0,1,0,1,0,0|1,0,0]=3 378 B14R2.300 NC(=O)N1CCC2=C1C=CC(=C2)Cl S656992 [0,1,0,1,0,0|2,0,0]=4 379 B14R2.4476 O=C(O)C1CC1C2=CC=CC(=C2)F CDS023747 [0,1,0,1,0,0|2,0,0]=4 380 B14R2.280 O=C1CCC2=CC=CC=C2CCN1 T176400 [0,1,0,1,0,0|1,0,0]=3 381 B14R2.412 O=S1(=O)CCCC2=CC=CC=C2C1 T176060 [0,1,0,1,0,0|2,0,0]=4 382 B14R2.768 CC(=O)OC1=NC2=C(S1)C=CC=C2 R786063 [0,1,0,1,0,0|1,0,1]=4 383 B14R2.768 O=C(O)CC1CC2=C(C1)C=CC=C2 PH011454 [0,1,0,1,0,0|2,0,0]=4 384 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 CBR01242 [0,1,0,1,0,0|2,0,0]=4 385 B14R2.781 O=C(O)C1CCC2=C(N1)C=CC=C2 CDS021780 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.781 O=C(O)C1CCC2=C(O1)C=CC=C2 CDS008154 [0,1,0,1,0,0|2,0,0]=4 387 B14R2.781 O=C(O)[C@@H]1CCC2=CC=CC=C2O1 PH017369 [0,1,0,1,0,0|2,0,0]=4 388 B14R2.781 O=C(O)[C@H]1CCC2=CC=CC=C2O1 PH017370 [0,1,0,1,0,0|2,0,0]=4 389 B14R2.5443 CC1=CC=CC=C1[C@H]2C[C@@H]2C(=O)O PH018831 [0,1,0,1,0,0|2,0,0]=4 390 B14R2.5443 O=C(O)C1CC1C2=CC=CC=C2F CDS023677 [0,1,0,1,0,0|2,0,0]=4 391 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [0,1,0,1,0,0|1,0,0]=3 392 B14R2.598 C[C@H]1NC(=O)O[C@H]1C2=CC=CC=C2 PH000361 [0,1,0,1,0,0|2,0,0]=4 393 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 S841420 [0,1,0,1,0,0|1,0,1]=4 394 B14R2.260 CN1CC(CC1=O)C2=CC=CC=C2 PH007835 [0,1,0,1,0,0|1,0,0]=3 395 B14R2.427 O=C1CN(C1=O)CC2=CC=CC=C2 T251178 [0,1,0,1,0,0|2,0,0]=4 396 B14R2.427 O=C1CN(C1=O)CC2=CC=CC=C2 T263419 [0,1,0,1,0,0|2,0,0]=4 397 B14R2.20 O=C1CCN(C1)C2=CC=C(C=C2)F CBR00490 [0,1,0,1,0,0|2,0,0]=4 398 B14R2.8 CCC1OCC(O1)C2=CC=CC=C2 S941239 [0,1,0,1,0,0|0,0,2]=4 399 B14R2.95 COC(=O)C1NCC2=CC=CC=C12 PH019012 [0,1,0,1,0,0|2,0,0]=4 400 B14R2.95 O=C(CCl)N1CCC2=C1C=CC=C2 S907952 [0,1,0,1,0,0|1,0,0]=3 401 B14R2.279 CN1C(=O)CCCC2=CC=CC=C12 T167576 [0,1,0,1,0,0|1,0,0]=3 402 B14R2.958 CNC(=O)C1CC1C2=CC=CC=C2 T199354 [0,1,0,1,0,0|1,0,0]=3 403 B14R2.958 COC(=O)C1OC1C2=CC=CC=C2 S353248 [0,1,0,1,0,0|2,0,0]=4 404 B14R2.4514 C=C1C(=O)OCC1C2=CC=CC=C2 T262382 [0,1,0,1,0,0|0,0,1]=3 405 B14R2.286 CS(=O)(=O)N1CCC2=C1C=CC=C2 R703540 [0,1,0,1,0,0|2,0,0]=4 406 B14R3.608 CC1=CC2CC1C3=CC=CC=C23 T201189 [0,0,0,2,0,0|2,0,0]=4 407 B14R3.608 O=C1CC2CC1C3=C2C=CC=C3 T201596 [0,0,0,2,0,0|1,0,0]=3 408 B14R3.8288 O=C1CC2C1C3=C(C2)C=CC=C3 S52656 [0,0,0,2,0,0|1,0,0]=3 409 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,2,0|1,0,0]=3 410 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,2,0|1,0,0]=3 411 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,2,0|1,0,0]=3 412 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,2,0|2,0,0]=4 413 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,2,0|1,0,0]=3 414 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,2,0|1,0,0]=3 415 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,2,0|2,0,0]=4 416 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,2,0|2,0,0]=4 417 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,2,0|2,0,0]=4 418 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,2,0|2,0,0]=4 419 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,2,0|2,0,0]=4 420 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,2,0|2,0,0]=4 421 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,2,0|1,1,0]=4 422 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,2,0|2,0,0]=4 423 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,2,0|2,0,0]=4 424 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,2,0|2,0,0]=4 425 B10R1.66 CC(=O)CCN1C=CC=N1 S533009 [0,0,0,0,2,0|2,0,0]=4 426 B14R1.422 CC(=O)OCCCSC1=CC=CC=C1 S866563 [0,0,0,0,0,2|0,0,0]=2 427 B14R1.422 N=C(N)NOCCOC1=CC=CC=C1 PH008972 [0,0,0,0,0,2|2,0,0]=4 428 B14R1.422 O=C(O)CCCCOC1=CC=CC=C1 PH010984 [0,0,0,0,0,2|2,0,0]=4