0 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 COCC1=CC=CC=N1 S363146 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 IC#CC1=NC=CC=C1 RNI00054 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 O=C=NC1=CC=CN=C1 CDS004476 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,0,0,0,0,0|1,1,1]=3 20 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,0,0,0,0,0|1,1,1]=3 21 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,0,0,0,0,0|1,1,1]=3 22 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 C1(C=CCC=C1)CO T175528 [1,0,0,0,0,0|0,0,3]=4 28 B8R1.2 C=CC1=CC=CC=C1 S460680 [1,0,0,0,0,0|0,0,1]=2 29 B8R1.2 C=CC1=CC=CC=C1 S461830 [1,0,0,0,0,0|0,0,1]=2 30 B8R1.2 C=CC1=CC=CC=C1 S462152 [1,0,0,0,0,0|0,0,1]=2 31 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 NCC1=CC=CC=C1 S696684 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 NCC1=CN=CC=C1 S763780 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 NCC1=CN=CC=N1 CDS009594 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.2 OCC1=CC=CN=N1 CDS015970 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [0,1,0,0,0,0|2,0,0]=3 42 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.1 CC1=CC=C(C=C1)C#CI RNI00066 [0,1,0,0,0,0|1,0,2]=4 44 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,1,0,0,0,0|1,0,1]=3 62 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [0,1,0,0,0,0|1,0,2]=4 64 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [0,1,0,0,0,0|1,0,2]=4 65 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [0,1,0,0,0,0|2,0,0]=3 68 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [0,1,0,0,0,0|1,0,0]=2 69 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.4 C=CCN1C=CC=CC1=O T161047 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,1,0,0,0,0|1,0,1]=3 77 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.4 CCNC1=CC=CC=C1C S571016 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.4 CCOC1=CC=CC=C1F S362085 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.4 ClC1=CC=CC=C1C#CI RNI00102 [0,1,0,0,0,0|1,0,2]=4 87 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,1,0,0,0,0|1,0,1]=3 88 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.4 O=C1C=CC=CN1CCO T161284 [0,1,0,0,0,0|1,0,2]=4 93 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [0,1,0,0,0,0|0,0,0]=1 94 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,1,0,0,0,0|1,0,1]=3 103 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.10 ClC1=CC(=CC=C1)C#CI RNI00103 [0,1,0,0,0,0|1,0,2]=4 111 B10R1.10 FC1=CC=CC(=C1)C#CI RNI00108 [0,1,0,0,0,0|1,0,2]=4 112 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.10 N#CCC1=CC(=CN=C1)Br PHB00054 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.10 N#CCC1=C[N+](=CC=C1)[O-] PH004983 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [0,1,0,0,0,0|1,0,2]=4 116 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [0,1,0,0,0,0|0,0,0]=1 121 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,0|0,0,2]=3 142 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,1,0,0,0,0|0,0,0]=1 153 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,1,0,0,0,0|1,0,2]=4 161 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,1,0,0,0,0|0,1,1]=3 162 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,1,0,0,0,0|1,1,1]=4 163 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,1,0,0,0,0|1,0,1]=3 166 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,1,0,0,0,0|1,0,1]=3 167 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.17 [N-]=[N+]=NCC1=CN=CC=C1 CBR01635 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,1,0,0,0,0|1,0,1]=3 171 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,1,0,0,0,0|1,0,0]=2 188 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,1,0,0,0,0|1,0,0]=2 192 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [0,0,0,1,0,0|1,1,0]=3 193 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,1,0,0|1,1,1]=4 194 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [0,0,0,1,0,0|1,1,0]=3 195 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [0,0,0,1,0,0|2,0,1]=4 196 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [0,0,0,1,0,0|2,0,1]=4 197 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [0,0,0,1,0,0|1,0,2]=4 198 B10R2.7 C1=CC2=NC=NN2C=C1 SYX00359 [0,0,0,1,0,0|3,0,0]=4 199 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [0,0,0,1,0,0|1,0,2]=4 200 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [0,0,0,1,0,0|2,0,1]=4 201 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [0,0,0,1,0,0|1,1,0]=3 202 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [0,0,0,1,0,0|0,0,0]=1 203 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [0,0,0,1,0,0|1,0,2]=4 204 B8R1.8 CCCN1C=CC=C1 PH010280 [0,0,0,0,1,0|2,0,1]=4 205 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,0,0,0,1,0|3,0,0]=4 206 B8R1.8 CNCC1=CC=CS1 PH012021 [0,0,0,0,1,0|3,0,0]=4 207 B8R1.8 CNCC1=CSC=C1 PH015792 [0,0,0,0,1,0|3,0,0]=4 208 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,0,0,0,1,0|2,0,1]=4 209 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,0,0,0,1,0|2,0,1]=4 210 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,0,0,0,1,0|3,0,0]=4 211 B8R1.8 O=CNC1=NC=CS1 PH004567 [0,0,0,0,1,0|3,0,0]=4 212 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,0,0,0,1,0|1,0,2]=4 213 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|1,0,0]=3 214 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|1,0,0]=3 215 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|1,0,0]=3 216 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|2,0,0]=4 217 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,0]=3 218 B7R1.3 O=C1C=CNC=C1 T161470 [2,0,0,0,0,0|1,0,0]=3 219 B7R1.3 O=C1C=CSC=C1 T162035 [2,0,0,0,0,0|1,0,0]=3 220 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|1,0,1]=4 221 B7R1.3 S=C1C=CSC=C1 S874310 [2,0,0,0,0,0|1,1,0]=4 222 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [2,0,0,0,0,0|0,0,1]=3 223 B7R1.3 [S-]C1=CC=CC=C1 S578991 [2,0,0,0,0,0|0,1,0]=3 224 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [0,1,1,0,0,0|0,0,2]=4 225 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|1,0,0]=3 227 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|0,1,0]=3 228 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.1 CSC1=CC=C(C=C1)N S418595 [1,1,0,0,0,0|1,0,1]=4 237 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.1 NCC1=CC=C(C=C1)F R750263 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.1 [C-]#[N+]C1=CC=C(C=C1)F PH015011 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.2 C#CC1=CC(=CC=C1)Br CDS007533 [1,1,0,0,0,0|0,0,2]=4 246 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|1,0,1]=4 249 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [1,1,0,0,0,0|0,1,0]=3 250 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [1,1,0,0,0,0|1,0,1]=4 256 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [1,1,0,0,0,0|0,0,1]=3 257 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|1,0,1]=4 258 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|1,0,1]=4 259 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|1,0,1]=4 260 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [1,1,0,0,0,0|1,0,1]=4 261 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.2 N#CC1=CC=CC(=C1)N S679151 [1,1,0,0,0,0|1,0,1]=4 263 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [1,1,0,0,0,0|1,0,0]=3 264 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [1,1,0,0,0,0|1,0,1]=4 271 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [1,1,0,0,0,0|1,0,1]=4 273 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [1,1,0,0,0,0|1,0,1]=4 274 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|1,0,1]=4 275 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,1,0,0,0,0|1,0,1]=4 278 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,1,0,0,0,0|1,0,1]=4 280 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,1,0,0,0,0|0,0,1]=3 281 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,1,0,0,0,0|1,0,1]=4 283 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,1,0,0,0,0|1,0,0]=3 287 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,1,0,0,0,0|1,0,0]=3 288 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,1,0,0,0,0|1,0,0]=3 289 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,1,0,0,0,0|0,0,2]=4 291 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,1,0,0,0,0|0,0,0]=2 292 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,1,0,0,0,0|0,0,0]=2 294 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,1,0,0,0,0|1,0,0]=3 296 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|2,0,0]=4 301 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|2,0,0]=4 302 B9R1.15 CCN1C=CC=CC1=O S683159 [1,1,0,0,0,0|1,0,1]=4 303 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,1,0,0,0,0|1,0,1]=4 305 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.15 NC1=C(C=CN=C1)CO ADE000287 [1,1,0,0,0,0|1,0,1]=4 310 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,1,0,0,0,0|1,0,0]=3 314 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.15 OCC1=C(C=NC=C1)Cl MNO000070 [1,1,0,0,0,0|1,0,1]=4 319 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.15 OCC1=CC=CC=N1O S459240 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.15 OCC1=CC=NC=C1Br MNO000077 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.15 OCC1=NC=CC=C1O R578177 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [0,1,0,0,1,0|1,0,1]=4 324 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,1,0,0,1,0|1,0,0]=3 325 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,1,0,0,1,0|2,0,0]=4 326 B9R1.13 CC(=O)NC1=CSC=C1 S943886 [0,1,0,0,1,0|2,0,0]=4 327 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,1,0,0,1,0|1,0,0]=3 328 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,1,0,0,1,0|1,0,0]=3 329 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,1,0,0,1,0|2,0,0]=4 330 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,1,0,0,1,0|2,0,0]=4 331 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,1,0,0,1,0|2,0,0]=4 332 B9R1.13 O=C(O)CN1C=CN=C1 CDS000415 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,2,0,0,0,0|1,0,1]=4 334 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,2,0,0,0,0|1,0,1]=4 335 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,2,0,0,0,0|1,0,1]=4 336 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [0,2,0,0,0,0|1,0,1]=4 341 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,2,0,0,0,0|1,0,1]=4 342 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [0,2,0,0,0,0|1,0,1]=4 343 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,2,0,0,0,0|1,0,1]=4 344 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,2,0,0,0,0|0,0,2]=4 346 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,2,0,0,0,0|1,0,1]=4 347 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,2,0,0,0,0|1,0,1]=4 348 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,2,0,0,0,0|1,0,1]=4 349 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,2,0,0,0,0|1,0,1]=4 350 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,2,0,0,0,0|1,0,1]=4 351 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,2,0,0,0,0|1,0,1]=4 353 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,2,0,0,0,0|1,0,1]=4 354 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,2,0,0,0,0|1,0,1]=4 355 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,2,0,0,0,0|1,0,1]=4 356 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,2,0,0,0,0|1,0,1]=4 357 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,2,0,0,0,0|1,0,1]=4 358 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,2,0,0,0,0|0,0,2]=4 361 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,2,0,0,0,0|1,0,1]=4 363 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,2,0,0,0,0|1,0,1]=4 364 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,2,0,0,0,0|0,0,0]=2 367 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,2,0,0,0,0|0,0,0]=2 368 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [0,2,0,0,0,0|1,0,0]=3 369 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,2,0,0,0,0|0,0,2]=4 370 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,2,0,0,0,0|0,0,2]=4 371 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,2,0,0,0,0|0,0,2]=4 372 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,2,0,0,0,0|1,0,1]=4 373 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,2,0,0,0,0|1,0,0]=3 374 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,2,0,0,0,0|1,0,1]=4 375 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,2,0,0,0,0|0,0,0]=2 376 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,2,0,0,0,0|0,0,0]=2 377 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,2,0,0,0,0|1,0,0]=3 381 B11R1.20 CC(=O)NC1=CC=C(C=N1)F CDS020931 [0,2,0,0,0,0|2,0,0]=4 382 B11R1.20 CC(=O)NC1=NC=C(C=C1)C S803375 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,2,0,0,0,0|1,0,0]=3 384 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,2,0,0,0,0|0,0,0]=2 385 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,2,0,0,0,0|0,0,0]=2 386 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S614556 [0,2,0,0,0,0|2,0,0]=4 387 B11R1.20 CC1=CC=C(C=C1)NC(=N)N S862371 [0,2,0,0,0,0|2,0,0]=4 388 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.20 CC1=CC=C(C=C1)NC(=S)N R612898 [0,2,0,0,0,0|1,1,0]=4 390 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.20 N=C(N)NC1=CC=C(C=C1)F S614564 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,2,0,0,0,0|0,0,0]=2 395 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,2,0,0,0,0|1,0,0]=3 396 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,2,0,0,0,0|0,1,0]=3 398 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br PH010901 [0,2,0,0,0,0|1,1,0]=4 399 B11R1.20 NC(=S)NC1=CC=C(C=C1)Cl PH010858 [0,2,0,0,0,0|1,1,0]=4 400 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,2,0,0,0,0|0,0,1]=3 401 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,2,0,0,0,0|1,0,0]=3 403 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,2,0,0,0,0|1,0,0]=3 404 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,2,0,0,0,0|1,1,0]=4 405 B11R1.20 S=C(Cl)SC1=CC=C(C=C1)Cl PH007816 [0,2,0,0,0,0|1,1,0]=4 406 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,2,0,0,0,0|1,0,0]=3 408 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,2,0,0,0,0|1,0,1]=4 412 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,2,0,0,0,0|1,0,1]=4 413 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,2,0,0,0,0|1,0,1]=4 415 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,2,0,0,0,0|1,0,1]=4 417 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,2,0,0,0,0|1,0,1]=4 421 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,2,0,0,0,0|0,0,2]=4 422 B11R1.81 C(=O)NC1=C(C=C(C=C1)Cl)Cl S576786 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.81 C=CCC1=CC=C(N=C1Cl)Br ADE000576 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.81 CC1=C(C=CC(=C1)Br)NC=O S624586 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.81 CC1=C(C=CC(=C1)Cl)NC=O S576395 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [0,2,0,0,0,0|0,0,0]=2 427 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.81 O=CNC1=C(C=C(C=C1)Br)Cl S746355 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.83 C#CC1=CC=C(C=C1)CCC CDS004646 [0,2,0,0,0,0|1,0,1]=4 431 B11R1.83 CCC1=CC=C(C=C1)CC#N PH014677 [0,2,0,0,0,0|1,0,1]=4 432 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.83 CCC1=CC=C(C=C1)NC=O S623113 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.83 CSC1=CC=C(C=C1)CNN PH018710 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.83 N#CC1=CC=C(C=C1)CCBr CDS023693 [0,2,0,0,0,0|1,0,1]=4 440 B11R1.83 N#CC1=CC=C(C=C1)CCO CDS014190 [0,2,0,0,0,0|0,0,2]=4 441 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.192 C(=O)NC1=CC(=C(C=C1)C)C S399191 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.192 C(=O)NC1=CC(=C(C=C1)Cl)Cl S580163 [0,2,0,0,0,0|1,0,0]=3 444 B11R1.192 C/C=N/C1=CC(=C(C=C1)Cl)Cl R466204 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.192 CC1=C(C=C(C=C1)NC=O)Cl S714062 [0,2,0,0,0,0|1,0,0]=3 446 B11R1.192 CC1=CC=C(C=C1C)CCN CDS003135 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.192 CC1=CC=C(C=C1C)CON PH013762 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.192 CCCC1=CC=C(C(=C1)N)O R703311 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.192 N#CCC1=CC(=C(C=C1)O)O PH005053 [0,2,0,0,0,0|1,0,1]=4 451 B11R1.192 OCCC1=CC(=C(C=C1)F)Cl CDS022215 [0,2,0,0,0,0|0,0,2]=4 452 B11R1.192 OCCC1=CC=C(C(=C1)Br)O S739227 [0,2,0,0,0,0|0,0,2]=4 453 B11R1.13 CC1=C(C(=CC=C1)NC=O)C PH010206 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.13 CC1=C(C=CC=C1Cl)NC=O S576794 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.13 CCCC1=C(C(=CC=C1)C)O S405507 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.13 NCCC1=CC=CC(=C1Cl)Cl L300195 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.13 O=CNC1=C(C(=CC=C1)Cl)Cl S623296 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.13 OCCC1=CC=CC(=C1F)Cl CDS022327 [0,2,0,0,0,0|0,0,2]=4 459 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.17 C=CCOC1=C(C=CN=C1)I PH017301 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,2,0,0,0,0|1,0,0]=3 463 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.17 C=CCON1C=CC=CC1=O T163252 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,2,0,0,0,0|1,0,0]=3 466 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,2,0,0,0,0|1,0,1]=4 467 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,2,0,0,0,0|1,0,1]=4 468 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,2,0,0,0,0|1,0,1]=4 472 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,2,0,0,0,0|1,0,1]=4 473 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,2,0,0,0,0|1,0,1]=4 474 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,2,0,0,0,0|0,0,2]=4 475 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [0,2,0,0,0,0|1,0,1]=4 477 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,2,0,0,0,0|1,0,1]=4 481 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [0,2,0,0,0,0|1,0,1]=4 482 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,2,0,0,0,0|1,0,1]=4 484 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,2,0,0,0,0|0,0,2]=4 485 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.41 CSC1=CC=CC=C1CC#N PH002491 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,2,0,0,0,0|1,0,1]=4 489 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,2,0,0,0,0|0,0,0]=2 491 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.86 CC(=O)NC1=C(C=CN=C1)O ADE000679 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.86 CC(=O)NC1=C(C=NC=C1)O ADE000677 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.86 CC(=O)NC1=CC=CN=C1O ADE000688 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.86 CC(=O)NC1=NC=CC=C1Cl T300071 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.86 CC(=O)NC1=NC=CC=C1O ADE000678 [0,2,0,0,0,0|2,0,0]=4 499 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,2,0,0,0,0|1,0,0]=3 500 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,2,0,0,0,0|0,0,0]=2 502 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,2,0,0,0,0|1,0,0]=3 507 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,2,0,0,0,0|0,0,0]=2 508 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,2,0,0,0,0|0,0,0]=2 509 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,2,0,0,0,0|0,0,0]=2 510 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,2,0,0,0,0|0,0,0]=2 511 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,2,0,0,0,0|1,0,0]=3 515 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,2,0,0,0,0|0,0,0]=2 516 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.86 O=C(O)CN1C=CC=NC1=O CBR00231 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.182 C=CCC1=CC(=CN=C1Cl)C ADE000755 [0,2,0,0,0,0|2,0,0]=4 521 B11R1.182 CC1=C(C=C(C=C1)Cl)NC=O S623288 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.182 CC1=C(C=C(C=C1)F)CC#N PH011498 [0,2,0,0,0,0|1,0,1]=4 523 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [0,2,0,0,0,0|0,0,0]=2 524 B11R1.182 CC1=CC=C(C(=C1)CCN)O PH019198 [0,2,0,0,0,0|1,0,1]=4 525 B11R1.182 CC1=CC=C(C(=C1)CCO)C S347248 [0,2,0,0,0,0|0,0,2]=4 526 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.182 N#CCC1=CC(=CC=C1Cl)Cl R594105 [0,2,0,0,0,0|1,0,1]=4 529 B11R1.182 NCCC1=CC(=CC=C1F)F L300276 [0,2,0,0,0,0|1,0,1]=4 530 B11R1.182 NCCC1=CC(=CC=C1N)Cl PH018969 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.182 NCCC1=CC(=CC=C1O)Cl PH019172 [0,2,0,0,0,0|1,0,1]=4 532 B11R1.182 O=CNC1=CC(=CC=C1Cl)Cl PH000061 [0,2,0,0,0,0|1,0,0]=3 533 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,2,0,0,0,0|1,0,1]=4 534 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,2,0,0,0,0|1,0,1]=4 535 B11R1.605 C(=O)NC1=C(C=CC=C1C)C S396656 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.605 C(=O)NC1=C(C=CC=C1C)Cl S625477 [0,2,0,0,0,0|1,0,0]=3 537 B11R1.605 C=CCC1=C(C=CN=C1Cl)I ADE000600 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.605 NC1=CC=CC(=C1CCO)Cl PH014566 [0,2,0,0,0,0|0,0,2]=4 539 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.605 NNCC1=C(C=CC=C1Cl)Cl S761540 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.605 O=C=NC1=C(C=CC=C1F)Cl CDS013093 [0,2,0,0,0,0|1,0,1]=4 542 B11R1.605 OCCC1=C(C=CC=C1Cl)Cl PH011763 [0,2,0,0,0,0|0,0,2]=4 543 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,2,0,0,0,0|1,0,1]=4 544 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,2,0,0,0,0|1,0,1]=4 545 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,2,0,0,0,0|1,0,1]=4 546 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,2,0,0,0,0|1,0,1]=4 547 B11R1.24 C#CCOC1=CC(=CC=C1)Br CDS023209 [0,2,0,0,0,0|1,0,1]=4 548 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,2,0,0,0,0|1,0,1]=4 549 B11R1.24 CC1=CC(=CC=C1)CSC#N S411485 [0,2,0,0,0,0|1,0,1]=4 550 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [0,2,0,0,0,0|1,0,1]=4 551 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,2,0,0,0,0|1,0,1]=4 552 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,2,0,0,0,0|0,0,2]=4 553 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,2,0,0,0,0|1,0,1]=4 554 B11R1.24 CC1=CC=CC(=C1)CN=[N+]=[N-] CDS015331 [0,2,0,0,0,0|2,0,0]=4 555 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,2,0,0,0,0|1,0,1]=4 556 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,2,0,0,0,0|1,0,1]=4 557 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,2,0,0,0,0|1,0,1]=4 558 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,2,0,0,0,0|1,0,1]=4 559 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,2,0,0,0,0|0,0,2]=4 560 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,2,0,0,0,0|0,0,2]=4 562 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,2,0,0,0,0|0,0,2]=4 563 B11R1.34 CC1=CC(=CC(=C1)CNN)C PH019430 [0,2,0,0,0,0|2,0,0]=4 564 B11R1.34 CC1=CC(=CC(=C1)NC=O)C S625418 [0,2,0,0,0,0|1,0,0]=3 565 B11R1.34 N#CCC1=CC(=CC(=C1)Cl)Cl OTV000840 [0,2,0,0,0,0|1,0,1]=4 566 B11R1.34 O=CNC1=CC(=CC(=C1)F)F S767824 [0,2,0,0,0,0|1,0,0]=3 567 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,2,0,0,0,0|0,0,0]=2 568 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,2,0,0,0,0|1,0,0]=3 569 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,2,0,0,0,0|1,0,0]=3 572 B11R1.157 CC(=O)NC1=CC(=CC=N1)C ADE001301 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.157 CC(=O)NC1=NC(=CC=C1)C S803367 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,2,0,0,0,0|1,0,1]=4 575 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.157 NC(=S)NC1=CC=CC(=C1)Cl S549614 [0,2,0,0,0,0|1,1,0]=4 581 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,2,0,0,0,0|0,0,0]=2 582 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [0,2,0,0,0,0|0,0,0]=2 584 B11R1.189 C(=O)NC1=CC(=CC=C1)OC S516600 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.189 COCC1=CC=CC(=C1)CBr CDS024084 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.189 N#CCC1=CC(=CC=C1)C=O CDS015965 [0,2,0,0,0,0|1,0,1]=4 587 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,2,0,0,0,0|1,0,1]=4 588 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,2,0,0,0,0|1,0,1]=4 591 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.12 C(=O)C(C=O)C1=CC=NC=C1 L307416 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,2,0,0,0,0|1,0,1]=4 594 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,2,0,0,0,0|1,0,1]=4 595 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,2,0,0,0,0|0,0,2]=4 597 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,2,0,0,0,0|0,0,0]=2 598 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,2,0,0,0,0|0,0,0]=2 599 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,2,0,0,0,0|0,0,1]=3 602 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,2,0,0,0,0|0,1,1]=4 603 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,2,0,0,0,0|1,0,1]=4 605 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,2,0,0,0,0|1,0,1]=4 606 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,2,0,0,0,0|1,0,1]=4 607 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,2,0,0,0,0|1,0,1]=4 610 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,2,0,0,0,0|0,0,2]=4 611 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,2,0,0,0,0|1,0,1]=4 613 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,2,0,0,0,0|1,0,1]=4 614 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,2,0,0,0,0|0,0,2]=4 615 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,2,0,0,0,0|1,0,1]=4 618 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,2,0,0,0,0|0,0,0]=2 619 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,2,0,0,0,0|0,0,0]=2 622 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,2,0,0,0,0|1,0,1]=4 623 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,2,0,0,0,0|1,0,1]=4 624 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,2,0,0,0,0|0,0,2]=4 626 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,2,0,0,0,0|0,0,2]=4 627 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,2,0,0,0,0|0,0,2]=4 628 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,2,0,0,0,0|0,0,2]=4 629 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,2,0,0,0,0|0,0,2]=4 630 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,2,0,0,0,0|0,0,2]=4 631 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,2,0,0,0,0|0,0,0]=2 633 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,2,0,0,0,0|0,0,0]=2 634 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,2,0,0,0,0|0,0,0]=2 635 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,2,0,0,0,0|0,0,2]=4 638 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,2,0,0,0,0|1,0,1]=4 640 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,2,0,0,0,0|1,0,1]=4 646 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,2,0,0,0,0|1,0,1]=4 647 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,2,0,0,0,0|1,0,1]=4 648 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,2,0,0,0,0|0,0,2]=4 649 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,2,0,0,0,0|1,0,1]=4 650 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,2,0,0,0,0|0,0,2]=4 651 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,2,0,0,0,0|0,0,2]=4 652 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,2,0,0,0,0|0,1,1]=4 653 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,2,0,0,0,0|1,0,1]=4 655 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,2,0,0,0,0|1,0,1]=4 656 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,2,0,0,0,0|1,0,1]=4 657 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,2,0,0,0,0|1,0,1]=4 658 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,2,0,0,0,0|1,0,1]=4 659 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,2,0,0,0,0|1,0,1]=4 660 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,2,0,0,0,0|0,0,2]=4 661 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,2,0,0,0,0|0,0,2]=4 662 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,2,0,0,0,0|0,0,1]=3 663 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,2,0,0,0,0|0,0,2]=4 664 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,2,0,0,0,0|0,0,2]=4 665 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,2,0,0,0,0|1,0,1]=4 669 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,2,0,0,0,0|1,0,1]=4 670 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,2,0,0,0,0|1,0,1]=4 671 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,2,0,0,0,0|1,1,0]=4 672 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,2,0,0,0,0|0,0,2]=4 673 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,2,0,0,0,0|0,0,1]=3 675 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,2,0,0,0,0|1,0,0]=3 679 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,2,0,0,0,0|1,1,0]=4 681 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,2,0,0,0,0|1,1,0]=4 682 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,2,0,0,0,0|0,0,1]=3 683 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,2,0,0,0,0|0,0,1]=3 684 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,2,0,0,0,0|0,0,0]=2 688 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,2,0,0,0,0|0,0,2]=4 690 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,2,0,0,0,0|0,0,1]=3 691 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,2,0,0,0,0|0,0,2]=4 692 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,2,0,0,0,0|1,0,0]=3 694 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,2,0,0,0,0|0,0,0]=2 697 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,2,0,0,0,0|1,0,1]=4 700 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,2,0,0,0,0|1,0,1]=4 701 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,2,0,0,0,0|1,0,1]=4 704 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,2,0,0,0,0|1,0,1]=4 708 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,2,0,0,0,0|1,0,1]=4 709 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,2,0,0,0,0|0,0,0]=2 715 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,2,0,0,0,0|0,0,0]=2 716 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,2,0,0,0,0|0,1,0]=3 718 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,2,0,0,0,0|0,1,0]=3 719 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,2,0,0,0,0|0,0,1]=3 721 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,2,0,0,0,0|1,0,1]=4 722 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,2,0,0,0,0|0,0,1]=3 729 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,2,0,0,0,0|0,0,1]=3 730 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,2,0,0,0,0|0,0,1]=3 731 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,2,0,0,0,0|0,0,0]=2 732 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,2,0,0,0,0|0,0,0]=2 733 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.91 O=[N+]([O-])/C=C/C1=CC=CN=C1 R437166 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.509 O=S(=O)(Cl)CC1=CC=CN=C1 CDS010417 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 CDS007189 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,2,0,0,0,0|1,0,0]=3 747 B9R1.50 O=C1C=CC=CC=CC1 T179078 [0,0,1,1,0,0|2,0,0]=4 748 B11R2.36 BrC1=CC2=C(C=C1)SC=N2 CDS006877 [0,1,0,1,0,0|1,1,0]=4 749 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [0,1,0,1,0,0|2,0,0]=4 750 B11R2.36 BrC1=CC=C2OC=NC2=C1 BML00292 [0,1,0,1,0,0|1,0,1]=4 751 B11R2.36 BrC1=CC=C2OC=NC2=C1 CDS016654 [0,1,0,1,0,0|1,0,1]=4 752 B11R2.36 BrC1=CC=C2SC=CC2=C1 CDS014001 [0,1,0,1,0,0|0,1,1]=4 753 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [0,1,0,1,0,0|1,0,1]=4 754 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [0,1,0,1,0,0|1,0,1]=4 755 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [0,1,0,1,0,0|1,0,1]=4 756 B11R2.36 FC1=CC2=C(C=C1)OC=N2 CDS022749 [0,1,0,1,0,0|1,0,1]=4 757 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [0,1,0,1,0,0|1,0,1]=4 758 B11R2.36 FC1=CC=C2NC=NC2=C1 CDS008386 [0,1,0,1,0,0|2,0,0]=4 759 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [0,1,0,1,0,0|1,0,1]=4 760 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [0,1,0,1,0,0|0,0,2]=4 761 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [0,1,0,1,0,0|0,0,2]=4 762 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [0,1,0,1,0,0|1,0,1]=4 763 B11R2.36 NC1=CC2=C(C=C1)NC=N2 CDS003539 [0,1,0,1,0,0|2,0,0]=4 764 B11R2.36 NC1=CC=C2N=COC2=C1 CDS013806 [0,1,0,1,0,0|1,0,1]=4 765 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [0,1,0,1,0,0|1,0,1]=4 766 B11R2.36 OC1=CC=C2NC=NC2=C1 CBR02476 [0,1,0,1,0,0|2,0,0]=4 767 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,1,0,1,0,0|0,0,2]=4 768 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,1,0,1,0,0|2,0,0]=4 769 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,1,0,1,0,0|2,0,0]=4 770 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,1,0,1,0,0|2,0,0]=4 771 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,1,0,1,0,0|1,0,1]=4 772 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,1,0,1,0,0|1,0,1]=4 773 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,1,0,1,0,0|1,0,1]=4 774 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,1,0,1,0,0|0,1,1]=4 775 B11R2.10 [C@H]12C=CC=C[C@H]1CC(=O)C2 T183474 [0,1,0,1,0,0|0,0,2]=4 776 B11R2.10 [S-]C1=NC2=C(S1)C=CC=C2 S813435 [0,1,0,1,0,0|1,1,0]=4 777 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,1,0,1,0,0|1,0,1]=4 778 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,1,0,1,0,0|1,0,1]=4 779 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,1,0,1,0,0|1,0,1]=4 780 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,1,0,1,0,0|1,0,0]=3 781 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,1,0,1,0,0|0,0,2]=4 782 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,1,0,1,0,0|1,0,0]=3 783 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [0,1,0,1,0,0|1,0,1]=4 784 B11R2.106 BrC1=CC=CC2=C1OC=C2 CDS022937 [0,1,0,1,0,0|0,0,2]=4 785 B11R2.106 OC1=CC=CC2=C1N=CN2 CDS008334 [0,1,0,1,0,0|2,0,0]=4 786 B11R2.106 OC1=CC=CC2=C1N=CO2 CDS009144 [0,1,0,1,0,0|1,0,1]=4 787 B11R2.106 OC1=CC=CC2=C1NC=C2 CDS005198 [0,1,0,1,0,0|1,0,1]=4 788 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [0,1,0,1,0,0|1,0,1]=4 789 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [0,1,0,1,0,0|1,0,1]=4 790 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,1,0,1,0,0|0,0,2]=4 791 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,1,0,1,0,0|2,0,0]=4 792 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,1,0,1,0,0|2,0,0]=4 793 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,1,0,1,0,0|1,1,0]=4 794 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,1,0,1,0,0|2,0,0]=4 795 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,1,0,1,0,0|2,0,0]=4 796 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,1,0,1,0,0|2,0,0]=4 797 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,1,0,1,0,0|2,0,0]=4 798 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,1,0,1,0,0|2,0,0]=4 799 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,1,0,1,0,0|0,0,2]=4 800 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,1,0,1,0,0|0,0,0]=2 801 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,1,0,1,0,0|1,0,0]=3 802 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,1,0,1,0,0|0,1,1]=4 803 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,1,0,1,0,0|1,0,1]=4 804 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,1,0,1,0,0|1,0,1]=4 805 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,1,0,1,0,0|1,0,1]=4 806 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,0,0,0,1,0|2,0,0]=4 807 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,1,0|2,0,0]=4 808 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,0,0,0,1,0|2,0,0]=4 809 B7R1.1 O=CC1=NNC=C1 CDS009918 [1,0,0,0,1,0|2,0,0]=4 810 B7R1.1 O=CC1=NOC=C1 CDS009683 [1,0,0,0,1,0|2,0,0]=4 811 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,1,0|1,0,1]=4 812 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,1,0|1,1,0]=4