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|3,0,1]=4 2 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.166 CC(N)C1=CC=C(C=C1Cl)Cl CDS000450 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl R161403 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.166 CC(O)C1=CC=C(C=C1Cl)Cl S463965 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.166 CC1=CC(=CC=C1B(O)O)O CDS020052 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])[O-] S399914 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.166 CC1=CC=C(C(=C1)Br)C(C)C S406864 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.166 CC1=CC=C(C(=C1)Cl)N(C)C S504149 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.166 CC1=CC=C(C(=C1)S)C(C)C PH007971 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.166 CN(C)C1=C(C=C(C=C1)Br)N CBR01423 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.166 CN(C)C1=C(C=C(C=C1)N)Cl CBR00671 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.166 CN(C)C1=CC=C(C=C1N)Br CDS022330 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.166 C[C@@H](O)C1=CC=C(C=C1Cl)F CDS023126 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.166 C[C@H](O)C1=CC=C(C=C1Cl)F CDS023125 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,0,0,0,0,0|0,1,0]=2 21 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,0,0,0,0,0|1,1,0]=3 22 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.25 CC[N+]1=CC=C(C=C1C)C S635375 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.25 FC1=CC(=CC=C1CS)Cl CDS003831 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.25 FC1=CC=C(C(=C1)Cl)CBr CDS001435 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.25 NCC1=CC=C(C=C1F)Br CDS003182 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.25 OCC1=C(C=C(C=C1)F)Br CDS021543 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,0,0,0,0,0|1,0,2]=4 47 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,0,0,0,0,0|2,0,1]=4 53 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.126 CC(C)(N)C1=CC=C(C=C1Cl)Cl OTV000624 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)C)C S413607 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.232 CC(=O)C1=CC(=C(C=C1C)C)N S764752 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.893 CC1=C(C(=C(C=C1)C(C)C)O)O S351784 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.893 CC1=C(C(=CC=C1[N+](=O)[O-])O)Br S196134 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.893 CC1=CC=C(C(=C1N)C)C(C)C S775371 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.1000 CC(=N)C1=C(C=C(C=C1O)O)O S638560 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.1000 CC(=O)C1=C(C=C(C=C1C)O)C S991066 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)C S462284 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C S763225 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PH009772 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.1000 CC1=CC(=NC(=C1C(C)O)C)C S432520 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.1000 [SiH](C)(C)C1=C(C=C(C=C1Cl)Cl)Cl S825506 [0,1,0,0,0,0|2,1,0]=4 80 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 81 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.1703 NC(CO)C1=CC=C(C=C1F)F PH018503 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.1703 OC(CCl)C1=CC=C(C=C1Cl)Cl R426784 [0,1,0,0,0,0|3,0,0]=4 87 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,0,0,1,0,0|1,1,1]=4 89 B10R1.59 CC1=C(N=C(S1)N)C(C)C CDS023855 [0,0,0,0,1,0|3,0,0]=4 90 B10R1.194 CC1=C(ON=C1N)C(C)C PH014982 [0,0,0,0,1,0|3,0,0]=4 91 B12R1.233 CC(=O)CC1=CC=C(C=C1C)C R226734 [0,0,0,0,0,1|2,0,1]=4 92 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)C S507415 [0,0,0,0,0,1|2,0,1]=4 93 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Cl)C S744840 [0,0,0,0,0,1|2,0,1]=4 94 B12R1.233 CC(=O)NC1=C(C=C(C=C1)I)C L168092 [0,0,0,0,0,1|2,0,1]=4 95 B12R1.233 CC(=O)NC1=C(C=C(C=C1)O)C PH007046 [0,0,0,0,0,1|1,0,1]=3 96 B12R1.233 CC(C)OC1=C(C=C(C=C1)N)Cl CDS002313 [0,0,0,0,0,1|2,0,0]=3 97 B12R1.233 CC(C)OC1=CC=C(C=C1O)Cl PH018757 [0,0,0,0,0,1|2,0,0]=3 98 B12R1.233 CC(C)OC1=CC=C(C=C1O)F PH018775 [0,0,0,0,0,1|2,0,0]=3 99 B12R1.233 CC(C)OC1=NC=C(C=C1I)Br ADE000301 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.1 CCC1=CC=[N+](C=C1)[O-] S869325 [2,0,0,0,0,0|1,0,1]=4 102 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [2,0,0,0,0,0|1,0,0]=3 111 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.15 CC1=C(C=CC=C1)NN R580260 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.15 CC1=CC=CN=C1CN CDS004048 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.15 CC1=CC=NC=C1CN CDS013951 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.15 CCN1C=CC=CC1=O S683159 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.15 NCC1=CC=CC=C1Br T151114 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.69 CC1=C(C=CC(=C1)Cl)I PH011333 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.69 CC1=C(C=CC(=C1)F)S KOB0166 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.69 CC1=C(C=CC(=C1)O)N S430048 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [2,0,0,0,0,0|1,1,0]=4 138 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.69 CC1=C(C=[N+](C=C1)[O-])C T161616 [2,0,0,0,0,0|1,0,1]=4 140 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.69 CC1=CC(=CC=C1N)N S442275 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.69 OC1=CC(=C(C=C1)Br)Cl CDS001095 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.69 OC1=CC=C(C(=C1)Br)Cl CDS020664 [2,0,0,0,0,0|2,0,0]=4 147 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [1,1,0,0,0,0|0,0,2]=4 153 B11R1.19 CC(C)(C)C1=CC=C(C=N1)O CDS010096 [1,1,0,0,0,0|1,0,0]=3 154 B11R1.19 CC(C)(C)C1=CC=[N+](C=C1)[O-] S748013 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.19 CC(C)(N)C1=CC=C(C=C1)Cl OTV000619 [1,1,0,0,0,0|1,0,0]=3 156 B11R1.19 CC(C)(N)C1=CC=C(C=C1)F OTV000626 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.19 CC1=CC=C(C=C1)C(C)(C)N PH010321 [1,1,0,0,0,0|1,0,0]=3 158 B11R1.19 CC1=CC=C(C=C1)[Te](C)(C)I S200972 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.19 C[Si](C)(C)C1=CC=C(C=C1)O S757365 [1,1,0,0,0,0|0,1,0]=3 160 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.21 CC(C)C1=CC(=C(C=C1)N)N CDS009515 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.21 CC(C)C1=CC=C(C(=C1)N)O S818887 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.21 CC(N)C1=CC=C(C(=C1)F)F CDS011131 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.21 CC(O)C1=CC=C(C(=C1)Cl)Cl S345539 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.21 CC1=CC=C(C=C1C)C(C)C S412686 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.21 CC1=CC=C(C=C1O)N(C)C PH006982 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.81 NCCC1=CC=C(C=C1F)Cl CDS022235 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.81 NCCC1=CC=C(C=C1F)F L300241 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.277 CC1=CC(=C(C=C1CCl)C)C S663352 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.277 CC1=CC(=C(C=C1CO)C)C PH015738 [1,1,0,0,0,0|2,0,0]=4 200 B11R1.277 CC1=CC(=C(C=C1CO)C)O PH007907 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.277 CC1=CC(=C(C=C1O)C)N=O PH009024 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.277 CCC1=C(C=C(C(=C1)C)C)O S360961 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.277 CCC1=CC(=C(C=C1C)C)C S504343 [1,1,0,0,0,0|1,0,0]=3 204 B11R1.278 CC1=C(C=CC(=C1C)N=O)O L168378 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.278 COC1=C(C(=C(C=C1)O)F)F CDS002829 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.279 CC1=CC(=CC=C1CBr)C#N CDS024330 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.279 COC1=CC(=C(C=C1)OC)O PH002885 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.279 COC1=CC=C(C(=C1)C)SC S323705 [1,1,0,0,0,0|1,0,0]=3 210 B11R1.279 COC1=CC=C(C(=C1)F)CCl CDS022915 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.279 COC1=CC=C(C=C1C)CO PH017423 [1,1,0,0,0,0|1,0,0]=3 212 B11R1.279 COC1=CC=C(C=C1C)NN PH017197 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.464 CC1=CC(=C(C(=C1)C)CN)C CDS021956 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.464 CC1=CC(=CC(=C1C=O)C)O CDS003970 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.464 CC1=CC(=CC(=C1N=O)C)O PH009036 [1,1,0,0,0,0|2,0,0]=4 216 B11R1.464 COC1=C(C=C(C=C1C)O)C PH009142 [1,1,0,0,0,0|1,0,0]=3 217 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [1,1,0,0,0,0|1,0,0]=3 218 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [1,1,0,0,0,0|0,0,1]=3 219 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [1,1,0,0,0,0|1,0,0]=3 220 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [1,1,0,0,0,0|1,0,0]=3 221 B11R1.53 FC(F)C1=CC=CC=C1CBr CDS024371 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [1,1,0,0,0,0|1,0,0]=3 224 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [1,1,0,0,0,0|0,1,0]=3 226 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.159 CC1=C(C(=CC=C1)[C@H](C)N)C CDS015873 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.167 CC1=CN=C(N=C1C(C)C)Cl PH018547 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [1,1,0,0,0,0|2,0,0]=4 239 B13R1.163 CC(C)C(=O)C1=CC=C(C=C1O)O PH003918 [0,1,0,0,0,1|1,0,0]=3 240 B13R1.653 COC1=CC(=C(C=C1)CC(C)Br)C S319856 [0,1,0,0,0,1|1,0,0]=3 241 B13R1.653 COC1=CC(=C(C=C1)NC(=O)C)C PH011098 [0,1,0,0,0,1|1,0,1]=4 242 B13R1.653 COC1=CC=C(C(=C1)O)CN(C)C PH019177 [0,1,0,0,0,1|2,0,0]=4 243 B13R1.53 COC1=C(C=CC(=C1)C)C(C)(C)C R278661 [0,2,0,0,0,0|1,0,0]=3 244 B13R1.99 COC1=CC=C(C(=C1)OC)C(C)O PH017427 [0,2,0,0,0,0|1,0,0]=3 245 B13R1.165 CC(C)C1=CC(=CC=C1N(C)C)O S837458 [0,2,0,0,0,0|1,0,0]=3 246 B13R1.165 CC(C)C1=CC=C(C=C1N(C)C)O S818860 [0,2,0,0,0,0|0,0,0]=2 247 B13R1.2398 COC1=CC(=C(C=C1C(C)C)Br)C OTV000707 [0,2,0,0,0,0|1,0,0]=3 248 B13R1.2398 COC1=CC(=C(C=C1C(C)C)Cl)C S720410 [0,2,0,0,0,0|1,0,0]=3 249 B13R1.877 CC(C)(C)C1=CC(=O)C(=CC1=O)Cl R164070 [0,2,0,0,0,0|2,0,0]=4 250 B13R1.884 CC1=C(C(=C(C=C1)C(C)(C)C)O)O S367168 [0,2,0,0,0,0|2,0,0]=4 251 B13R1.4183 CC(C)(CN)C1=CC=C(C=C1Cl)Cl OTV000622 [0,2,0,0,0,0|2,0,0]=4 252 B13R1.651 CC1=C(C=C(C(=C1)O)C(C)C)N=O S953520 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.2811 CC(=O)C1=C(C(=C(C(=C1)C)O)C)C R733431 [0,2,0,0,0,0|1,0,1]=4 254 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.120 CC1=C(N=CC(=C1)B(O)O)N(C)C PH019199 [0,2,0,0,0,0|2,0,0]=4 256 B13R1.3230 CC1=CC=C(C(=C1C=O)O)C(C)C ASX00139 [0,2,0,0,0,0|2,0,0]=4 257 B13R1.3230 CC\1=CC=C(C(=O)/C1=N/O)C(C)C R397059 [0,2,0,0,0,0|2,0,0]=4 258 B11R2.36 BrC1=CC=C2CNCC2=C1 CDS019338 [1,0,0,1,0,0|2,0,0]=4 259 B11R2.36 CC1=CC2=C(C=C1)NCC2 CDS000231 [1,0,0,1,0,0|2,0,0]=4 260 B11R2.36 ClC1=CC2=C(C=C1)NCC2 CDS003126 [1,0,0,1,0,0|2,0,0]=4 261 B11R2.36 ClC1=NC2=C(C=C1)CCC2 CBR01977 [1,0,0,1,0,0|2,0,0]=4 262 B11R2.36 FC1=CC2=C(C=C1)NCC2 CDS005250 [1,0,0,1,0,0|2,0,0]=4 263 B11R2.36 FC1=CC=C2CCNC2=C1 CDS008960 [1,0,0,1,0,0|2,0,0]=4 264 B11R2.36 IC1=CC=C2CCNC2=C1 CDS022471 [1,0,0,1,0,0|2,0,0]=4 265 B11R2.36 IC1=CC=C2OCCC2=C1 CDS003452 [1,0,0,1,0,0|2,0,0]=4 266 B11R2.36 IC1=CC=C2OCCC2=C1 SYX00284 [1,0,0,1,0,0|2,0,0]=4 267 B11R2.36 NC1=CC2=C(C=C1)CCC2 T167487 [1,0,0,1,0,0|1,0,0]=3 268 B11R2.36 NC1=CC=C2NCCC2=C1 CDS019734 [1,0,0,1,0,0|2,0,0]=4 269 B11R2.36 O=C1C=CC2=C(N1)CCC2 T327182 [1,0,0,1,0,0|1,0,1]=4 270 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [1,0,0,1,0,0|2,0,0]=4 271 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [1,0,0,1,0,0|1,0,0]=3 272 B13R2.3683 CC1CNC2=CC(=CC=C2S1)Br VBP00195 [0,0,0,1,0,1|2,0,0]=4 273 B13R2.3108 CC1(CNC2=C1C=CC(=C2)N)C CVT00129 [0,1,0,1,0,0|1,0,0]=3 274 B13R2.3108 CC1=CC2=C(C=C1)C(C=C2)(C)C S127973 [0,1,0,1,0,0|1,0,1]=4 275 B13R2.5179 CC1CCCC2=C1C=CC(=C2)O S956082 [0,1,0,1,0,0|0,0,0]=2 276 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O PH011288 [0,1,0,1,0,0|1,0,1]=4 277 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [0,1,0,1,0,0|1,0,1]=4 278 B13R2.2130 CN1CCC2=CC(=CC=C12)C=O OTV000668 [0,1,0,1,0,0|1,0,1]=4 279 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,0|1,0,1]=4 280 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,0,0,0,0,1|0,0,2]=4 281 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,0,0,0,0,1|1,0,1]=4 282 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,0,0,0,0,1|1,0,1]=4 283 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,0,0,0,0,1|1,0,0]=3 284 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,0,0,0,0,1|1,0,0]=3 285 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,0,0,0,0,1|1,0,0]=3 286 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,0,0,0,0,1|1,0,0]=3 287 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,0,0,0,0,1|2,0,0]=4 288 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [1,0,0,0,0,1|1,0,1]=4 289 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,0,0,0,0,1|1,0,0]=3 290 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [1,0,0,0,0,1|2,0,0]=4 291 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [1,0,0,0,0,1|1,0,0]=3 292 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [1,0,0,0,0,1|1,0,0]=3 293 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,0,0,0,0,1|1,0,0]=3 294 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [1,0,0,0,0,1|2,0,0]=4 295 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C S369373 [0,0,0,0,1,1|1,0,0]=3 296 B11R1.74 CC1=NC(=CC(=N1)Cl)C(C)C CDS021138 [0,0,0,0,1,1|2,0,0]=4