0 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.166 CC(C)C1=CC[C@H](CC1=O)C T203688 [0,0,0,0,0,0|0,0,4]=4 4 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC1=CC(=C(C=N1)C(=O)O)O PH011699 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,0,0,0,0,0|1,0,0]=1 10 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,0,0,0,0,0|0,1,0]=1 13 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.25 COC1=CN=C(N=C1O)C S217115 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,0,0,0,0|1,0,2]=4 50 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,0,0,0,0|1,0,0]=2 60 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [1,0,0,0,0,0|3,0,0]=4 61 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,0,0,0,0,0|2,0,1]=4 66 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.126 CC(C)(N)C1=CC=C(C=C1Cl)Cl OTV000624 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.126 CC1=CC=C(C(=C1)Br)C(F)(F)F CDS023525 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.126 OC1=C(C=CC(=C1)F)C(F)(F)F MNO000015 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)C JRD0550 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.232 CC1=C(C=C(C(=C1)O)C(=O)O)Cl JRD0551 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,1,0,0,0,0|0,0,0]=1 79 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,1,0,0,0,0|0,0,0]=1 80 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,1,0,0,0,0|0,0,0]=1 81 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.893 CC1=C(C(=C(C=C1)C(C)C)O)O S351784 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.893 CC1=CC=C(C(=C1N)C)C(C)C S775371 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.1000 CC(=N)C1=C(C=C(C=C1O)O)O S638560 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O S84299 [0,1,0,0,0,0|2,0,1]=4 90 B12R1.1000 CC1=CC(=C(C(=C1)O)[N+](=O)[O-])C S809179 [0,1,0,0,0,0|3,0,0]=4 91 B12R1.1000 CC1=CC(=NC(=C1C(C)O)C)C S432520 [0,1,0,0,0,0|3,0,0]=4 92 B12R1.1000 [SiH](C)(C)C1=C(C=C(C=C1Cl)Cl)Cl S825506 [0,1,0,0,0,0|2,1,0]=4 93 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.1703 NC(CO)C1=CC=C(C=C1F)F PH018503 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.1703 OC(CCl)C1=CC=C(C=C1Cl)Cl R426784 [0,1,0,0,0,0|3,0,0]=4 107 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,0,0,1,0,0|2,0,1]=4 109 B10R1.59 CC1=NN(C(=C1)N)C(C)C CBR01652 [0,0,0,0,1,0|3,0,0]=4 110 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,0,0,0,0,1|2,0,1]=4 111 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)C T331570 [0,0,0,0,0,1|2,0,1]=4 112 B12R1.233 CC(=S)NC1=C(C=C(C=C1)C)Br R428477 [0,0,0,0,0,1|2,0,1]=4 113 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [0,0,0,0,0,1|2,0,0]=3 114 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,0,0,0,0,1|1,0,0]=2 115 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,0,0,0,0,1|1,0,0]=2 116 B12R1.233 CC(C)OC1=NC=C(C=C1I)Br ADE000301 [0,0,0,0,0,1|3,0,0]=4 117 B12R1.233 CC1=CC=C(C(=C1)O)CC(=O)O PH016856 [0,0,0,0,0,1|2,0,1]=4 118 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|1,0,0]=3 119 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [2,0,0,0,0,0|1,0,0]=3 132 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.15 CCN1C=CC=CC1=O S683159 [2,0,0,0,0,0|1,0,1]=4 138 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.15 NCC1=CC=CC=C1Br T151114 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.15 OCC1=CC=CC=N1O S459240 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.15 OCC1=NC=CC=C1O R578177 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [2,0,0,0,0,0|2,0,0]=4 152 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.69 NC1=CC=C(C(=C1)O)N S579009 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.69 OC1=CC(=CC=C1Cl)Br CDS003254 [2,0,0,0,0,0|2,0,0]=4 161 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [1,1,0,0,0,0|0,0,1]=3 162 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [1,1,0,0,0,0|0,0,0]=2 163 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [1,1,0,0,0,0|0,0,2]=4 167 B11R1.3 ClCC1=CC=C(C=C1)C(Cl)Cl PH007301 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] S748013 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [1,1,0,0,0,0|0,0,0]=2 173 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Br)Br S200956 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.19 CC1=CC=C(C=C1)[Te](C)(Cl)Cl S200948 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [1,1,0,0,0,0|1,1,0]=4 177 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,1,0,0,0,0|1,0,1]=4 178 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [1,1,0,0,0,0|0,0,0]=2 183 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,1,0,0,0,0|1,0,0]=3 202 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.81 COCC1=C(N=C(N=C1)C)O PH003344 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.277 CC1=CC(=C(C=C1Br)C=O)O CDS009877 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.277 CCC1=C(C=C([N+](=C1)[O-])C)N S320536 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.278 CC1=C(C(=C(C=C1)C=O)O)C ASX00132 [1,1,0,0,0,0|1,0,1]=4 219 B11R1.278 COC1=CC=C(C(=C1O)O)Br L134910 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.279 BrCC1=CC=C(C(=C1)Br)CBr T306096 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.279 CCC1=CC(=C(C=C1)CN)F PH018848 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.279 COC1=CC=C(C=C1Br)SC PH001313 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.279 COC1=CC=C(C=C1Cl)CS PH002997 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [1,1,0,0,0,0|0,0,1]=3 232 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [1,1,0,0,0,0|1,1,0]=4 237 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [1,1,0,0,0,0|2,0,0]=4 247 B13R1.163 CC(C)C(=O)C1=CC=C(C=C1O)O PH003918 [0,1,0,0,0,1|1,0,0]=3 248 B13R1.653 COC1=CC(=C(C=C1)CC(C)Br)C S319856 [0,1,0,0,0,1|2,0,0]=4 249 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)O S671819 [0,1,0,0,0,1|1,0,1]=4 250 B13R1.653 COC1=CC=C(C(=C1)O)CN(C)C PH019177 [0,1,0,0,0,1|1,0,0]=3 251 B13R1.876 CC(=O)NC1=C(C=C(C(=C1)Cl)C)O S582514 [0,1,0,0,0,1|1,0,1]=4 252 B13R1.2808 CN(C)CC1=C(C=C(C=C1Cl)Cl)O PH016463 [0,1,0,0,0,1|2,0,0]=4 253 B13R1.53 COC1=C(C=CC(=C1)C)C(C)(C)C R278661 [0,2,0,0,0,0|0,0,0]=2 254 B13R1.99 COC1=CC=C(C(=C1)OC)C(C)O PH017427 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.165 CC(C)C1=CC=C(C=C1N(C)C)O S818860 [0,2,0,0,0,0|2,0,0]=4 256 B13R1.2398 COC1=C(C=C(C(=C1)C)Cl)C(=O)C JRD1261 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.2398 COC1=CC(=C(C=C1C(C)C)Br)C OTV000707 [0,2,0,0,0,0|0,0,0]=2 258 B13R1.2398 COC1=CC(=C(C=C1C(C)C)Cl)C S720410 [0,2,0,0,0,0|0,0,0]=2 259 B13R1.877 CC(C)(C)C1=CC(=O)C(=CC1=O)Cl R164070 [0,2,0,0,0,0|1,0,1]=4 260 B13R1.884 CC1=C(C(=C(C=C1)C(C)(C)C)O)O S367168 [0,2,0,0,0,0|0,0,0]=2 261 B13R1.4183 CC(C)(CN)C1=CC=C(C=C1Cl)Cl OTV000622 [0,2,0,0,0,0|2,0,0]=4 262 B13R1.651 CC1=C(C=C(C(=C1)O)C(C)C)N=O S953520 [0,2,0,0,0,0|0,0,0]=2 263 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)C)O PH011664 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.95 COC1=CC=C(C(=C1)O)C(=O)CCl R462276 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.3096 COC1=C(C(=C(C=C1)C(=O)C)O)O TMT00632 [0,2,0,0,0,0|1,0,1]=4 267 B13R1.3230 CC1=CC=C(C(=C1C=O)O)C(C)C ASX00139 [0,2,0,0,0,0|0,0,0]=2 268 B13R1.3230 CC\1=CC=C(C(=O)/C1=N/O)C(C)C R397059 [0,2,0,0,0,0|0,0,1]=3 269 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)C)C PH004672 [0,2,0,0,0,0|1,0,1]=4 270 B13R1.961 CCN(CC)C1=CC=C(C=C1Cl)C S502820 [0,2,0,0,0,0|2,0,0]=4 271 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,0,1,1,0,0|2,0,0]=4 272 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,1,0,0|2,0,0]=4 273 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,1,0,0|2,0,0]=4 274 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,1,0,0|2,0,0]=4 275 B11R2.36 IC1=CC=C2OCOC2=C1 CDS003005 [1,0,0,1,0,0|2,0,0]=4 276 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,1,0,0|2,0,0]=4 277 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,1,0,0|1,0,1]=4 278 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [1,0,0,1,0,0|1,0,0]=3 279 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [1,0,0,1,0,0|1,0,0]=3 280 B13R2.3683 CC1CNC2=CC(=CC=C2S1)Br VBP00195 [0,0,0,1,0,1|2,0,0]=4 281 B13R2.3108 CC1(CNC2=C1C=CC(=C2)N)C CVT00129 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.3108 CC1=CC2=C(C=C1)C(C=C2)(C)C S127973 [0,1,0,1,0,0|1,0,0]=3 283 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 PH002854 [0,1,0,1,0,0|1,0,1]=4 284 B13R2.5179 CC1CCCC2=C1C=CC(=C2)O S956082 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,1,0,1,0,0|1,0,1]=4 286 B13R2.11642 CC1=CC2=C(C(=O)O1)C(CO2)O KOB0072 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [1,0,0,0,1,0|2,0,0]=4 288 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,0,0,0,0,1|1,0,1]=4 289 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [1,0,0,0,0,1|1,0,1]=4 290 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,0,0,0,0,1|1,0,0]=3 291 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,0,0,0,0,1|1,0,0]=3 292 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,0,0,0,0,1|1,0,0]=3 293 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,0,0,0,0,1|1,0,0]=3 294 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,0,0,0,0,1|2,0,0]=4 295 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [1,0,0,0,0,1|2,0,0]=4 296 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,0,0,0,0,1|1,0,0]=3 297 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [1,0,0,0,0,1|2,0,0]=4 298 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [1,0,0,0,0,1|1,0,0]=3 299 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [1,0,0,0,0,1|1,0,0]=3 300 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,0,0,0,0,1|2,0,0]=4 301 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [1,0,0,0,0,1|1,0,0]=3 302 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C S369373 [0,0,0,0,1,1|1,0,0]=3