0 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,0,0|1,0,1]=2 17 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,0,0|1,0,0]=1 28 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,0,0|1,0,0]=1 31 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|0,1,1]=3 37 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 NC(=S)C1=NC=CC=N1 BOG00003 [1,0,0,0,0,0|2,1,0]=4 42 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.6 O=C(Cl)C1=CN=CN=C1 CDS022016 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|1,0,1]=3 52 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,1]=4 62 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|1,0,2]=4 79 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|0,0,2]=3 88 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|0,0,2]=3 89 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,1,0,0,0,0|0,0,1]=2 94 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,0,0,0,0|1,0,2]=4 98 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|1,0,0]=2 107 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,0,0|1,0,2]=4 114 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,0,0|1,0,2]=4 115 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,0,0|1,0,2]=4 116 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,0,0|0,0,0]=1 117 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,0,0|0,0,0]=1 118 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,0,0|0,0,0]=1 120 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,0,0,0,0|1,0,2]=4 147 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,1,0,0,0,0|1,0,0]=2 151 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.23 COC(=O)C1=CC(=CC=N1)Br CDS014039 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.23 COC(=O)C1=CC(=CC=N1)N CDS021624 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.23 COC(=O)C1=CC=CC(=N1)N CDS005987 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.23 COC(=O)C1=CN=CC(=C1)C PH016250 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.23 COC(=O)C1=CN=CC(=C1)F CDS020854 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.23 COC(=O)C1=C[N+](=CC=C1)C S385360 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.23 COC(=O)C1=NC(=CC=C1)I ADE000338 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000255 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.23 COC(=O)C1=NC=CC(=C1)Cl ADE000348 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.23 COC(=O)[N+]1=CC(=CC=C1)C R434086 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.36 CN(C)C(=S)C1=CC=NC=C1 PH007726 [0,1,0,0,0,0|1,1,0]=3 190 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,0,0,0,0|1,0,0]=2 194 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,0,0,0,0|1,0,2]=4 197 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,0,0|0,0,0]=1 198 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,0,0|0,0,0]=1 199 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,0,0|0,0,0]=1 200 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,0,0|0,1,0]=2 202 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.222 COC(=O)C1=CN=CC=C1N PHB00050 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.222 COC(=O)C1=NC=CC=C1O CDS005462 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,1,0,0,0,0|1,0,0]=2 214 B9R0.46 C/C=C/C/C=C/C(=O)OC S765929 [0,0,1,0,0,0|1,0,2]=4 215 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|2,0,1]=4 218 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|2,0,1]=4 220 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|0,0,0]=1 224 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,1,0]=4 226 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,0,0,1,0,0|2,0,1]=4 227 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|1,0,1]=3 228 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,0,0,0,1,0|2,0,0]=3 229 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,0,0,0,1,0|2,0,0]=3 230 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,0,0,0,1,0|2,0,1]=4 231 B9R1.11 COC(=O)C1=NNC=C1 CDS009495 [0,0,0,0,1,0|3,0,0]=4 232 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,0,0,0,0,1|2,0,1]=4 233 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,0,0,0,0,1|2,0,1]=4 234 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,0,1|1,0,0]=2 235 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,0,1|2,0,1]=4 236 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,0,1|3,0,0]=4 237 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,0,0,0,1|0,1,0]=2 238 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,0,0,0,0,1|2,0,1]=4 239 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,0,1|2,0,0]=3 240 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,0,0,0,1|1,0,1]=3 241 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,0,0,0,1|2,0,0]=3 242 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,0,0,0,1|2,0,0]=3 243 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,0,0,0,0,1|2,0,0]=3 244 B11R1.40 COC(=O)C[N+]1=CC=CN=C1 S225894 [0,0,0,0,0,1|3,0,0]=4 245 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,0,1|1,0,0]=2 246 B11R1.40 COC(=O)NC1=CN=CC=C1 R427268 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,0,0,0,0,1|1,1,0]=3 249 B11R1.40 CSC(=S)NC1=CC=CC=N1 PH002652 [0,0,0,0,0,1|2,1,0]=4 250 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,0,0,0,1|2,0,1]=4 251 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,0,0,0,1|2,0,1]=4 252 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,0,1|2,0,0]=3 253 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,0,1|1,0,0]=2 254 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,0,1|2,0,0]=3 255 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,0,1|2,0,0]=3 256 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,0,1|1,0,0]=2 257 B11R1.852 COC(=O)N1C=CC=CC=C1 T168505 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,1]=3 261 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,1]=3 262 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,1]=3 263 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|0,0,1]=3 265 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|1,0,1]=4 266 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 269 B10R0.55 COC(=O)/C=C\C=C/C(=O)O T278475 [0,1,1,0,0,0|2,0,0]=4 270 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|1,0,0]=3 282 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|0,1,0]=3 288 B10R1.13 NC(=S)C1=CC=C(C=N1)N BOG00001 [1,1,0,0,0,0|1,1,0]=4 289 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.13 O=S([O-])C1=CC=C(C=C1)Cl S614394 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)[O-] S592323 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,1,0,0,0,0|1,1,0]=4 298 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 S828351 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 S828335 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|0,0,2]=4 310 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|0,1,0]=3 311 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|1,1,0]=4 331 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.113 CC(=O)C1=CC=CC(=N1)C CDS003228 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.113 CC(=O)C1=C[N+](=CC=C1)C S303313 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|1,0,1]=4 336 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,1]=4 339 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|0,1,0]=3 340 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.113 CC1=NC(=CC=C1)C(=S)N S353418 [1,1,0,0,0,0|1,1,0]=4 342 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O L169226 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.113 C[N+]1=CC(=CC=C1)C(=O)O S414255 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,1,0,0,0,0|1,0,0]=3 348 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|0,0,0]=2 353 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.113 NC(=O)C1=NC(=CN=C1)Cl CBR02075 [1,1,0,0,0,0|2,0,0]=4 355 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.113 NC1=CC(=CC=C1)[N+](=O)[O-] R462284 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.113 NC1=CC(=NC=C1)C(=O)O PHB00041 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.113 NC1=CC=NC(=C1)C(=O)O CDS007808 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.113 O=C(O)C1=NC(=CC=C1)I ADE000333 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl ADE000290 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.113 O=C(O)C1=NC=CC(=C1)Cl CDS000043 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.113 O=C(O)C1=NC=CC(=C1)I PHB00300 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.113 O=C(O)C1=NC=CC(=C1)O CDS005228 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.113 O=C([O-])C1=NC=CC(=C1)I ADE000263 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.113 O=C1C=CC=C(O1)C(=O)O CDS020731 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.363 CC1(C=CCC=C1)C(=O)N T270628 [1,1,0,0,0,0|0,0,2]=4 371 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|0,0,1]=3 394 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|0,0,1]=3 427 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|0,0,1]=3 428 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|0,0,1]=3 430 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,1,0,0,0,0|0,0,1]=3 431 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [0,1,0,0,1,0|2,0,0]=4 432 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [0,1,0,0,1,0|2,0,0]=4 433 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [0,1,0,0,1,0|2,0,0]=4 434 B10R1.14 CCC(=O)C1=CC=C(S1)Br CBR01166 [0,1,0,0,1,0|2,0,0]=4 435 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [0,1,0,0,1,0|2,0,0]=4 436 B10R1.14 CNC(=O)C1=NNC(=C1)N CBR01592 [0,1,0,0,1,0|2,0,0]=4 437 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [0,1,0,0,1,0|2,0,0]=4 438 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,1,0,0,1,0|2,0,0]=4 439 B10R1.23 CN(C)C(=O)C1=CC=CO1 PH008437 [0,1,0,0,1,0|1,0,0]=3 440 B10R1.149 CC1=C(C=CO1)C(=O)NN CDS005915 [0,1,0,0,1,0|2,0,0]=4 441 B10R1.149 CN1C=CC=C1C(=O)NN CDS015065 [0,1,0,0,1,0|2,0,0]=4 442 B10R1.149 COC(=O)C1=COC=C1C T208701 [0,1,0,0,1,0|2,0,0]=4 443 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,1,0,0,0,1|0,0,0]=2 444 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,1,0,0,0,1|0,0,0]=2 445 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,1,0,0,0,1|0,1,0]=3 446 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,1,0,0,0,1|2,0,0]=4 448 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,1,0,0,0,1|1,0,0]=3 449 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,1,0,0,0,1|2,0,0]=4 450 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,1,0,0,0,1|1,0,0]=3 452 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,1,0,0,0,1|1,1,0]=4 453 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 R611433 [0,1,0,0,0,1|1,0,1]=4 454 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 S534161 [0,1,0,0,0,1|1,0,1]=4 455 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,1,0,0,0,1|1,0,0]=3 456 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,1,0,0,0,1|1,0,1]=4 457 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,1,0,0,0,1|1,0,0]=3 458 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,1,0,0,0,1|1,0,0]=3 459 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,1,0,0,0,1|0,0,1]=3 460 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,1,0,0,0,1|0,0,1]=3 461 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,1,0,0,0,1|1,0,0]=3 462 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,1,0,0,0,1|1,0,0]=3 463 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [0,1,0,0,0,1|2,0,0]=4 464 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [0,1,0,0,0,1|2,0,0]=4 465 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [0,1,0,0,0,1|2,0,0]=4 466 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,1,0,0,0,1|0,0,0]=2 467 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,1,0,0,0,1|1,0,1]=4 468 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,1,0,0,0,1|1,0,0]=3 469 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,1,0,0,0,1|1,0,0]=3 470 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,1,0,0,0,1|1,0,0]=3 471 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,1,0,0,0,1|1,0,0]=3 472 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [0,1,0,0,0,1|2,0,0]=4 473 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,1,0,0,0,1|1,0,0]=3 474 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [0,1,0,0,0,1|1,0,0]=3 475 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,1,0,0,0,1|1,0,0]=3 476 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [0,1,0,0,0,1|1,0,0]=3 477 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,1,0,0,0,1|0,0,0]=2 478 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,1,0,0,0,1|0,0,0]=2 479 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,1,0,0,0,1|0,0,0]=2 480 B12R1.43 CN(C)C(=O)OC1=CN=CC=C1 PH016102 [0,1,0,0,0,1|1,0,0]=3 481 B12R1.43 CN(C)C(=S)NC1=CC=CC=C1 S347302 [0,1,0,0,0,1|0,1,0]=3 482 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,1,0,0,0,1|0,1,0]=3 483 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,1,0,0,0,1|1,0,0]=3 486 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,1,0,0,0,1|1,0,0]=3 487 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,1,0,0,0,1|1,0,0]=3 488 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,1,0,0,0,1|1,0,0]=3 489 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,1,0,0,0,1|1,0,0]=3 490 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,1,0,0,0,1|1,0,0]=3 491 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,1,0,0,0,1|1,1,0]=4 492 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,0,1|0,0,0]=2 493 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,0,1|0,0,0]=2 494 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,0,1|0,0,0]=2 495 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,0,1|0,0,0]=2 496 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,0,1|0,0,0]=2 497 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,0,1|0,0,0]=2 498 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,0,1|0,0,0]=2 499 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [0,1,0,0,0,1|0,1,0]=3 500 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [0,1,0,0,0,1|0,1,0]=3 501 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,1,0,0,0,1|0,1,0]=3 502 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [0,1,0,0,0,1|0,1,0]=3 503 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [0,1,0,0,0,1|0,1,0]=3 504 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,1|1,0,1]=4 505 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,1|1,0,0]=3 506 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,1|1,0,0]=3 507 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,1|1,0,0]=3 508 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [0,1,0,0,0,1|1,0,0]=3 511 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [0,1,0,0,0,1|1,0,0]=3 512 B12R1.49 CS/C(=N/C1=CC=C(C=C1)Cl)/N PH011891 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Br S898104 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.49 N#CC(=O)NC1=CC=C(C=C1)Cl S898090 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Br PH011084 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.49 O=C(CBr)NC1=CC=C(C=C1)Cl PH010742 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S188883 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)Cl S407488 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)F S728950 [0,1,0,0,0,1|2,0,0]=4 520 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)I S878219 [0,1,0,0,0,1|2,0,0]=4 521 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [0,1,0,0,0,1|2,0,0]=4 522 B12R1.49 O=C(CI)NC1=CC=C(C=C1)Br S399272 [0,1,0,0,0,1|2,0,0]=4 523 B12R1.49 O=C(CS)NC1=CC=C(C=C1)F OTV001006 [0,1,0,0,0,1|2,0,0]=4 524 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,0,0,0,1|1,0,0]=3 525 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,0,0,0,1|1,0,0]=3 526 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS OTV001005 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,1,0,0,0,1|1,0,0]=3 529 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,1,0,0,0,1|1,0,0]=3 530 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,1|0,0,0]=2 531 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,1|0,0,0]=2 532 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,1|0,0,0]=2 533 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,1|0,0,0]=2 534 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,1,0,0,0,1|0,1,0]=3 535 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [0,1,0,0,0,1|0,1,0]=3 536 B12R1.50 COC(=O)NC1=CC(=CC=C1)C S606871 [0,1,0,0,0,1|1,0,0]=3 537 B12R1.50 COC(=O)NC1=CC(=CC=C1)Cl S594326 [0,1,0,0,0,1|1,0,0]=3 538 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)Cl TMT00606 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.50 O=C(CCl)NC1=CC(=CC=C1)F R822876 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,1|1,0,0]=3 541 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,1|1,0,0]=3 542 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,1,0,0,0,1|0,1,1]=4 543 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,1,0,0,0,1|0,0,2]=4 544 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,1,0,0,0,1|2,0,0]=4 545 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,1,0,0,0,1|1,0,0]=3 546 B12R1.371 CC1=C(C=CC=C1)NC(=O)C#N S898007 [0,1,0,0,0,1|2,0,0]=4 547 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S278939 [0,1,0,0,0,1|2,0,0]=4 548 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S292044 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.371 CC1=C(C=CC=C1)NC(=O)CCl S378208 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,1,0,0,0,1|1,0,0]=3 552 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,1|0,0,0]=2 553 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,1|0,0,0]=2 554 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [0,1,0,0,0,1|0,1,0]=3 555 B12R1.371 CNC(=S)NC1=C(C=CC=C1)Cl PH010055 [0,1,0,0,0,1|0,1,0]=3 556 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,0,1|1,0,0]=3 557 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,0,1|1,0,0]=3 558 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,0,1|1,0,0]=3 559 B12R1.371 COC(=O)C[N+]1=CC=CC=C1C R433624 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.371 COC(=O)NC1=C(C=CC=C1)C S628336 [0,1,0,0,0,1|1,0,0]=3 561 B12R1.371 COC(=O)NC1=C(C=CC=C1)Cl S634352 [0,1,0,0,0,1|1,0,0]=3 562 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)Cl S898082 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.371 N#CC(=O)NC1=C(C=CC=C1)F S898724 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,1|1,0,0]=3 565 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,1|1,0,0]=3 566 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)F R590193 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.371 O=C(CCl)NC1=C(C=CC=C1)O S501069 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.371 O=C(CCl)OC1=C(C=CC=C1)F PH008803 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.371 O=C(CI)NC1=CC=CC=C1Cl R823252 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,0,0,0,1|1,0,0]=3 571 B12R1.1564 CCOC(=O)N1C=CC=CC=C1 T281778 [0,1,0,0,0,1|2,0,0]=4 572 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)Cl TMT00215 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.9 CCS(=O)(=O)C1=CC=C(C=C1)F PH003114 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.9 CSS(=O)(=O)C1=CC=C(C=C1)C S765090 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)Br S953105 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)Cl S841382 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)I S944998 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.10 CNS(=O)(=O)C1=CC=CC(=C1)Cl T322571 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.39 CCCS(=O)(=O)C1=CC=CC=C1 PH006990 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.39 CCNS(=O)(=O)C1=CC=CC=C1 PH009839 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [0,2,0,0,0,0|0,0,2]=4 582 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 CDS008511 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 PH011695 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.195 CNS(=O)(=O)C1=C(C=CC=C1)C PH000617 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [0,2,0,0,0,0|0,0,2]=4 587 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.12 CC/C(=N\O)/C1=CC=C(C=C1)Cl PH007820 [0,2,0,0,0,0|1,0,1]=4 589 B12R1.13 CNC(C#N)C1=CC(=CC=C1)Cl L479241 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,2,0,0,0,0|1,0,1]=4 591 B12R1.243 CCN(N=O)C1=CC=CC=C1C PH007144 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [0,2,0,0,0,0|1,0,1]=4 594 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,2,0,0,0,0|1,0,1]=4 595 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,2,0,0,0,0|1,0,1]=4 596 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,2,0,0,0,0|1,0,1]=4 597 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,2,0,0,0,0|0,0,1]=3 599 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [0,2,0,0,0,0|0,0,0]=2 612 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,2,0,0,0,0|0,0,0]=2 613 B12R1.16 CCNC(=O)C1=CN=C(C=C1)Cl EME00413 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [0,2,0,0,0,0|1,0,0]=3 616 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [0,2,0,0,0,0|0,0,2]=4 619 B12R1.16 N#CSC(=O)C1=CC=C(C=C1)Cl PH008446 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.16 O=C(N=C=S)C1=CC=C(C=C1)Br PH000411 [0,2,0,0,0,0|0,0,2]=4 622 B12R1.16 O=S(CCO)C1=CC=C(C=C1)Cl T252719 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.17 CC1=CC(=CC=C1)C(=O)CC#N JRD0743 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,2,0,0,0,0|0,0,0]=2 625 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,2,0,0,0,0|0,0,0]=2 626 B12R1.17 CCNC(=O)C1=CC=CC(=N1)Br PH018909 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.17 CCNC(=O)C1=NC(=CC=C1)F PH018644 [0,2,0,0,0,0|1,0,0]=3 628 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [0,2,0,0,0,0|0,0,2]=4 632 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [0,2,0,0,0,0|0,0,0]=2 634 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [0,2,0,0,0,0|0,0,0]=2 637 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [0,2,0,0,0,0|1,0,0]=3 638 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [0,2,0,0,0,0|0,0,0]=2 639 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [0,2,0,0,0,0|0,0,0]=2 640 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 S382787 [0,2,0,0,0,0|1,0,1]=4 641 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CDS014760 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.30 O=C(/C=C/O[Na])C1=CC=CC=C1 TMT00060 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [0,2,0,0,0,0|0,0,0]=2 646 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [0,2,0,0,0,0|0,0,0]=2 647 B12R1.30 O=C(NCCO)C1=CN=CC=C1 EME00383 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [0,2,0,0,0,0|0,1,0]=3 650 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [0,2,0,0,0,0|1,0,0]=3 654 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,2,0,0,0,0|1,0,1]=4 657 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,2,0,0,0,0|0,0,1]=3 661 B12R1.107 N=C(N)SC(=O)C1=CC=CC=C1 S187364 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,2,0,0,0,0|0,0,1]=3 663 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,2,0,0,0,0|1,0,1]=4 664 B12R1.308 CC1=C(C=CC=C1)C(=O)NC#N R573671 [0,2,0,0,0,0|0,0,1]=3 665 B12R1.308 CC1=CC=CC=C1C(=O)CC#N JRD0744 [0,2,0,0,0,0|1,0,1]=4 666 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,2,0,0,0,0|0,0,0]=2 667 B12R1.308 CCNC(=O)C1=CC=CN=C1Cl VBP00047 [0,2,0,0,0,0|1,0,0]=3 668 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [0,2,0,0,0,0|1,0,0]=3 669 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1C R179035 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [0,2,0,0,0,0|0,0,0]=2 672 B12R1.308 N#CCC(=O)C1=C(C=CC=C1)F PH005130 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,2,0,0,0,0|0,0,0]=2 674 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N EME00409 [0,2,0,0,0,0|0,0,0]=2 676 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,2,0,0,0,0|0,0,0]=2 678 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,2,0,0,0,0|0,0,0]=2 679 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|1,0,1]=4 680 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.5 COC(=O)C1=CC=C(N=C1)C=O CDS016358 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,2,0,0,0,0|1,1,0]=4 686 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.5 N#CC1=CC=C(C=C1)C(=O)N[O-] S302767 [0,2,0,0,0,0|1,0,0]=3 689 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [0,2,0,0,0,0|1,0,0]=3 692 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [0,2,0,0,0,0|0,0,0]=2 697 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [0,2,0,0,0,0|0,0,0]=2 698 B12R1.20 CN(C)C(=O)C1=CN=C(C=C1)Cl CBR00393 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.20 O=C(C1=CC=C(C=C1)Br)C(Br)Br S356298 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.20 O=C(C1=CC=C(C=C1)Cl)C(Cl)Cl S766674 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [0,2,0,0,0,0|1,0,0]=3 705 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,2,0,0,0,0|0,0,0]=2 708 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [0,2,0,0,0,0|1,0,0]=3 710 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.367 O=C(CBr)C1=CC(=C(C=C1)F)Cl L446610 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.367 O=C(CBr)C1=CC=C(C(=C1)F)F CDS016555 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.1703 C(=O)C(=O)C1=C(C=C(C=C1)F)F CDS022056 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [0,2,0,0,0,0|2,0,0]=4 723 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [0,2,0,0,0,0|2,0,0]=4 724 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [0,2,0,0,0,0|1,0,0]=3 727 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,2,0,0,0,0|0,0,0]=2 729 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [0,2,0,0,0,0|1,0,0]=3 730 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [0,2,0,0,0,0|1,0,0]=3 734 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [0,2,0,0,0,0|1,0,0]=3 737 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.1703 COC(=O)C1=NC=C(C=C1F)Br ADE000142 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.1703 COC(=O)C1=NC=C(C=C1N)Br ADE000144 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,2,0,0,0,0|1,0,0]=3 741 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,2,0,0,0,0|1,0,0]=3 743 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|1,0,0]=3 744 B12R1.24 CCC(=O)C1=CC=CC(=C1O)C PH003571 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.24 COC(=O)C1=CC=CC(=C1C)Cl S312320 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.24 COC(=O)C1=CC=CC(=C1N)F CDS023662 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.24 COC(=O)C1=CC=CC(=C1N)N CDS019676 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.24 COC(=O)C1=CC=CC(=C1O)O PH011302 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.24 O=C(CBr)C1=CC=CC(=C1F)F PH014660 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.225 CC(=O)C(=O)C1=CC(=CC=C1)Cl MNO000201 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.225 CC(C)C(=O)C1=CC(=CC=C1)Cl PH010271 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.225 CC1=CC(=CC=C1)C(=O)C(C)C PH010272 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)Br EME00401 [0,2,0,0,0,0|0,0,0]=2 757 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)Cl PH008997 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)N OTV000592 [0,2,0,0,0,0|0,0,0]=2 759 B12R1.354 CC1=CC(=C(C=C1)C)C(=O)CBr PH015659 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.354 CC1=CC=C(C(=C1)C(=O)CCl)C OTV000347 [0,2,0,0,0,0|2,0,0]=4 761 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [0,2,0,0,0,0|1,0,0]=3 762 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [0,2,0,0,0,0|1,0,0]=3 763 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|0,0,0]=2 765 B12R1.354 COC(=O)C1=C(C=CC(=C1)C)N PH006897 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)C PH011114 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.354 COC(=O)C1=C(C=CC(=C1)N)Cl OTV000318 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [0,2,0,0,0,0|1,0,0]=3 769 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)N CDS022511 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.354 COC(=O)C1=CC(=CC=C1F)N JRD0943 [0,2,0,0,0,0|1,0,0]=3 771 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [0,2,0,0,0,0|1,0,0]=3 772 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)C ADE000763 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.354 COC(=O)C1=CC(=CN=C1Cl)F ADE000416 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.354 COC(=O)C1=CC(=NC=C1N)Br PHB00209 [0,2,0,0,0,0|2,0,0]=4 775 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|1,0,0]=3 776 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.354 O=C(CBr)C1=C(C=CC(=C1)F)F PH014673 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl S746266 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.358 COC(=O)C1=CC(=CC(=O)O1)C T310018 [0,2,0,0,0,0|2,0,0]=4 780 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [0,2,0,0,0,0|1,0,0]=3 781 B12R1.358 O=C(CBr)C1=CC(=CC(=C1)F)F PH016240 [0,2,0,0,0,0|2,0,0]=4 782 B12R1.435 CNC(=O)C1=CC(=CC=C1)C#N EME00411 [0,2,0,0,0,0|0,0,0]=2 783 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [0,2,0,0,0,0|1,0,1]=4 784 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.435 COC(=O)C1=CC=CC(=N1)CBr CDS021944 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.435 COC(=O)C1=CC=CC(=N1)CN CDS022894 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [0,2,0,0,0,0|2,0,0]=4 789 B12R1.435 COC1=CC(=NC=C1)C(=O)NN ADE000342 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,2,0,0,0,0|2,0,0]=4 791 B12R1.435 COC1=CC=CC(=N1)C(=O)NN ADE000352 [0,2,0,0,0,0|2,0,0]=4 792 B12R1.435 N#CC1=CC=CC(=C1)C(=O)CBr CDS013717 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.124 CC1=CC=CC=C1C(=O)C(C)C PH001066 [0,2,0,0,0,0|1,0,0]=3 794 B12R1.124 CC1=CC=CC=C1N(C)N(C)C PH012360 [0,2,0,0,0,0|2,0,0]=4 795 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br CDS020037 [0,2,0,0,0,0|0,0,0]=2 796 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CBR00188 [0,2,0,0,0,0|0,0,0]=2 797 B12R1.564 O=C(C1=CC=CC=C1)C(Cl)(Cl)Cl PH002344 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.77 CNC(=O)C1=CC=CC=C1CO S872261 [0,2,0,0,0,0|0,0,0]=2 799 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,2,0,0,0,0|0,0,0]=2 800 B12R1.77 CNC(=S)C1=CC=CC=C1NC PH007472 [0,2,0,0,0,0|0,1,0]=3 801 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O KOB0002 [0,2,0,0,0,0|1,0,0]=3 802 B12R1.77 COC(=O)C1=C(C=CC=C1)SC PH011017 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.77 COC(=O)C1=CC=CC=C1C#N S445398 [0,2,0,0,0,0|1,0,0]=3 804 B12R1.77 COC(=O)C1=CC=CC=C1CN CDS002791 [0,2,0,0,0,0|1,0,0]=3 805 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,2,0,0,0,0|1,0,0]=3 806 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO S62120 [0,2,0,0,0,0|1,0,0]=3 807 B12R1.3441 COC(=O)C1=C(C=CC=C1N)F CDS021736 [0,2,0,0,0,0|1,0,0]=3 808 B12R1.3441 COC(=O)C1=C(C=CN=C1Cl)I ADE000251 [0,2,0,0,0,0|2,0,0]=4 809 B12R1.3441 O=C(CBr)C1=C(C=CC=C1F)F PH016145 [0,2,0,0,0,0|2,0,0]=4 810 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,1,1,0,0|2,0,0]=4 811 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,0]=2 812 B10R2.320 O=C1NC2C1C=CC=C2 T173932 [1,0,0,1,0,0|0,0,2]=4 813 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,0,0,1,0,1|1,0,0]=3 814 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,1,0,1|1,0,1]=4 815 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,1,0,1|1,0,1]=4 816 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,0,0,1,0,1|1,0,1]=4 817 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,0,0,1,0,1|1,0,0]=3 818 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,1,0,1|1,0,0]=3 819 B12R2.18 CN1C(=O)CN2C1C=CC=C2 T144355 [0,0,0,1,0,1|1,0,1]=4 820 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,1,0,1|0,0,0]=2 821 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,1,0,1|0,1,0]=3 822 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,0,0,1,0,1|1,0,1]=4 823 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,1,0,1|2,0,0]=4 824 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,1,0,1|1,0,0]=3 825 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,1,0,1|1,0,0]=3 826 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,1,0,1|2,0,0]=4 827 B12R2.24 NC1=NCC2=CC=CC=C2N1 PH012493 [0,0,0,1,0,1|1,0,1]=4 828 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|2,0,0]=4 829 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|2,0,0]=4 830 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,1|1,1,0]=4 831 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,1|0,1,0]=3 832 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,0,0,1,0,1|1,0,1]=4 833 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 R429929 [0,0,0,1,0,1|2,0,0]=4 834 B12R2.32 CSC1=NC2=C(O1)C=CC=C2 S872989 [0,0,0,1,0,1|1,0,1]=4 835 B12R2.32 C[Se]C1=NC2=C(N1)C=CC=C2 S202851 [0,0,0,1,0,1|2,0,0]=4 836 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,1,0,1,0,0|2,0,0]=4 837 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH012845 [0,1,0,1,0,0|0,1,0]=3 838 B12R2.1 CNC1=C2C=CC=CC2=NS1 PH019064 [0,1,0,1,0,0|0,1,0]=3 839 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|2,0,0]=4 840 B12R2.2 C1=CC=C(C=C1)C2=CNN=N2 CDS020603 [0,1,0,1,0,0|2,0,0]=4 841 B12R2.2 C1=CC=C(C=C1)C2=NN=CN2 S294217 [0,1,0,1,0,0|1,0,1]=4 842 B12R2.2 C1=CC=C(C=C1)C2=NN=CN2 S294683 [0,1,0,1,0,0|1,0,1]=4 843 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,1,0,1,0,0|0,1,1]=4 844 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [0,1,0,1,0,0|1,0,1]=4 845 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|1,0,1]=4 846 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|1,0,1]=4 847 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|1,0,0]=3 850 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|1,0,0]=3 851 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|0,0,0]=2 852 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,1,0,0|0,0,2]=4 853 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [0,1,0,1,0,0|2,0,0]=4 854 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,1,0,0|2,0,0]=4 855 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,1,0,0|1,0,0]=3 856 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|1,0,0]=3 857 B12R2.2028 CN1N=C(C2=C1N=CC=C2)N CDS013841 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|1,0,0]=3 859 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,1,0,0|1,0,1]=4 860 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,1,0,0|0,0,2]=4 861 B12R2.2075 O=C(C1=CC=CN=C1)C2CC2 CBR00500 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 PH013260 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|1,0,0]=3 864 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|1,0,0]=3 865 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|0,0,0]=2 866 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|0,0,0]=2 867 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|1,0,0]=3 868 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|1,0,0]=3 869 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|1,0,0]=3 870 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|1,0,0]=3 871 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|1,0,0]=3 872 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|1,0,0]=3 874 B8R1.7 CC(=O)C1=NC=CN1 CBR02095 [1,0,0,0,1,0|2,0,0]=4 875 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,0,0,0,1,0|2,0,0]=4 876 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|1,0,0]=3 877 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,0,0,0,1,0|2,0,0]=4 878 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [1,0,0,0,1,0|2,0,0]=4 879 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,0,0,0,1,0|1,1,0]=4 880 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,0,0,0,1,0|1,1,0]=4 881 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [1,0,0,0,1,0|1,1,0]=4 882 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [1,0,0,0,1,0|1,1,0]=4 883 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|2,0,0]=4 884 B8R1.8 CNCC1=CC=CS1 CDS004831 [1,0,0,0,1,0|1,0,1]=4 885 B8R1.8 CNCC1=CC=CS1 PH012021 [1,0,0,0,1,0|1,0,1]=4 886 B8R1.8 CNCC1=CSC=C1 PH015792 [1,0,0,0,1,0|1,0,1]=4 887 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,0,0,0,0,2|1,0,0]=3 888 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,0,0,0,2|1,0,0]=3 889 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,0,0,0,0,2|1,0,0]=3 890 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,0,0,0,0,2|1,0,0]=3 891 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,0,0,0,0,2|1,0,0]=3 892 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,0,0,0,0,2|0,1,0]=3 893 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,0,0,0,0,2|0,1,0]=3 894 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,0,0,0,0,2|2,0,0]=4 895 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,0,0,0,2|1,0,0]=3 896 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,0,0,0,2|1,1,0]=4 897 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,0,0,0,0,2|2,0,0]=4 898 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,0,0,0,0,2|1,0,0]=3 899 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,0,0,0,0,2|1,0,0]=3 900 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,0,0,0,0,2|1,1,0]=4 901 B12R1.27 O=C(/C=C/C1=CC=NC=C1)NO S742236 [0,0,0,0,0,2|2,0,0]=4 902 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,0,0,0,0,2|2,0,0]=4 903 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,0,0,0,0,2|2,0,0]=4 904 B7R1.3 CC1=CC=NC=C1 T256412 [3,0,0,0,0,0|1,0,0]=4 905 B7R1.3 CC1=CC=NC=C1 T330418 [3,0,0,0,0,0|1,0,0]=4 906 B7R1.3 NC1=CC=CC=C1 S698326 [3,0,0,0,0,0|0,0,0]=3 907 B7R1.3 NC1=CC=CC=N1 S822329 [3,0,0,0,0,0|1,0,0]=4 908 B7R1.3 O=C1C=CC=CN1 T160121 [3,0,0,0,0,0|1,0,0]=4 909 B7R1.3 O=C1C=CNC=C1 T161470 [3,0,0,0,0,0|1,0,0]=4 910 B7R1.3 O=C1C=CSC=C1 T162035 [3,0,0,0,0,0|1,0,0]=4 911 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [3,0,0,0,0,0|0,0,1]=4 912 B7R1.3 [S-]C1=CC=CC=C1 S578991 [3,0,0,0,0,0|0,1,0]=4 913 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [2,1,0,0,0,0|1,0,0]=4 914 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [2,1,0,0,0,0|1,0,0]=4 915 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [2,1,0,0,0,0|1,0,0]=4 916 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,1,0,0,0,0|0,0,0]=3 917 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,1,0,0,0,0|0,0,0]=3 918 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,1,0,0,0,0|1,0,0]=4 919 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,1,0,0,0,0|1,0,0]=4 920 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,1,0,0,0,0|0,0,1]=4 921 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,1,0,0,0,0|0,0,1]=4 922 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [2,1,0,0,0,0|1,0,0]=4 923 B9R1.1 O=CC1=CC=C(N=C1)O CDS004063 [2,1,0,0,0,0|1,0,0]=4 924 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [2,1,0,0,0,0|1,0,0]=4 925 B9R1.2 C(=O)C1=CC=CC(=N1)F CDS021920 [2,1,0,0,0,0|1,0,0]=4 926 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [2,1,0,0,0,0|1,0,0]=4 927 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [2,1,0,0,0,0|1,0,0]=4 928 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,1,0,0,0,0|0,0,1]=4 929 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,1,0,0,0,0|0,0,0]=3 930 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,1,0,0,0,0|1,0,0]=4 931 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [2,1,0,0,0,0|1,0,0]=4 932 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,1,0,0,0,0|0,0,1]=4 933 B9R1.2 O=CC1=CC(=CN=C1)Cl ADE000371 [2,1,0,0,0,0|1,0,0]=4 934 B9R1.2 O=CC1=CC(=CN=C1)I ADE000370 [2,1,0,0,0,0|1,0,0]=4 935 B9R1.2 O=CC1=CC=NC(=C1)O CDS008008 [2,1,0,0,0,0|1,0,0]=4 936 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,1,0,0,0,0|0,0,0]=3 937 B9R1.15 CC1=C(C=CC=C1)NN R580260 [2,1,0,0,0,0|1,0,0]=4 938 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [2,1,0,0,0,0|1,0,0]=4 939 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [2,1,0,0,0,0|1,0,0]=4 940 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,1,0,0,0,0|0,0,0]=3 941 B9R1.15 CNC1=NC=CC=C1Cl T169315 [2,1,0,0,0,0|1,0,0]=4 942 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,1,0,0,0,0|1,0,0]=4 943 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [2,1,0,0,0,0|1,0,0]=4 944 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [2,1,0,0,0,0|1,0,0]=4 945 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [2,1,0,0,0,0|1,0,0]=4 946 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,1,0,0,0,0|0,0,1]=4 947 B9R1.15 NCC1=CC=CC=C1Br T151114 [2,1,0,0,0,0|0,0,1]=4 948 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [2,1,0,0,0,0|1,0,0]=4 949 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [1,1,0,0,1,0|1,0,0]=4 950 B9R1.35 CC(=O)C1=CSC(=C1)Cl PHB00060 [1,1,0,0,1,0|1,0,0]=4 951 B9R1.35 NC(=O)C1=CC=C(S1)Br CBR00204 [1,1,0,0,1,0|1,0,0]=4 952 B9R1.41 CC(=O)C1=CNC=C1C L164399 [1,1,0,0,1,0|1,0,0]=4 953 B9R1.41 NC(=O)C1=C(SC=C1)N CDS007582 [1,1,0,0,1,0|1,0,0]=4 954 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [1,2,0,0,0,0|1,0,0]=4 955 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,2,0,0,0,0|0,0,0]=3 956 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [1,2,0,0,0,0|0,1,0]=4 957 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [1,2,0,0,0,0|0,1,0]=4 958 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [1,2,0,0,0,0|1,0,0]=4 959 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [1,2,0,0,0,0|0,1,0]=4 960 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,2,0,0,0,0|0,0,0]=3 961 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,2,0,0,0,0|1,0,0]=4 962 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [1,2,0,0,0,0|1,0,0]=4 963 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N CDS012661 [1,2,0,0,0,0|1,0,0]=4 964 B11R1.19 NS(=O)(=O)C1=CC=C(C=C1)O PH006892 [1,2,0,0,0,0|1,0,0]=4 965 B11R1.21 C=C(C)C1=CC=C(C(=C1)Cl)Cl PH007056 [1,2,0,0,0,0|1,0,0]=4 966 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [1,2,0,0,0,0|0,0,0]=3 967 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)O R174114 [1,2,0,0,0,0|0,0,0]=3 968 B11R1.21 CC(=O)C1=CC=C(C(=C1)F)O CDS002790 [1,2,0,0,0,0|0,0,0]=3 969 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)Cl JRD0473 [1,2,0,0,0,0|0,0,0]=3 970 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [1,2,0,0,0,0|0,0,0]=3 971 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)Cl PH014636 [1,2,0,0,0,0|1,0,0]=4 972 B11R1.21 CC1=C(C=C(C=C1)C(=N)N)F CDS015050 [1,2,0,0,0,0|1,0,0]=4 973 B11R1.21 CC1=C(C=C(C=C1)C(=S)N)F PH015302 [1,2,0,0,0,0|0,1,0]=4 974 B11R1.21 CC1=C(C=CC(=C1)C(=O)O)Cl R436089 [1,2,0,0,0,0|1,0,0]=4 975 B11R1.21 CC1=CC(=CC=C1I)C(=O)O PH011378 [1,2,0,0,0,0|1,0,0]=4 976 B11R1.21 CC1=CC=C(C=C1C)C(=S)N BOG00231 [1,2,0,0,0,0|0,1,0]=4 977 B11R1.21 CC1=CC=C(C=C1Cl)C(=O)N S716782 [1,2,0,0,0,0|0,0,0]=3 978 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [1,2,0,0,0,0|0,0,0]=3 979 B11R1.21 NC(=O)C1=CC(=C(N=C1)Cl)Cl EME00445 [1,2,0,0,0,0|1,0,0]=4 980 B11R1.21 NC(=O)C1=CC=C(C(=C1)Cl)Cl PH011012 [1,2,0,0,0,0|0,0,0]=3 981 B11R1.21 NC(=S)C1=CC(=C(C=C1)F)Cl PH016195 [1,2,0,0,0,0|0,1,0]=4 982 B11R1.21 NC(=S)C1=CC=C(C(=C1)F)F BOG00008 [1,2,0,0,0,0|0,1,0]=4 983 B11R1.21 NC(=S)C1=CC=C(C(=C1)O)O BOG00242 [1,2,0,0,0,0|0,1,0]=4 984 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)Cl CDS020712 [1,2,0,0,0,0|1,0,0]=4 985 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)F SYX00307 [1,2,0,0,0,0|0,0,0]=3 986 B11R1.166 CC(=O)C1=CC=C(C=C1O)Br JRD0831 [1,2,0,0,0,0|0,0,0]=3 987 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CDS015316 [1,2,0,0,0,0|0,0,0]=3 988 B11R1.166 CC(=O)C1=NC=C(C=C1F)Br ADE000139 [1,2,0,0,0,0|1,0,0]=4 989 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F CDS003230 [1,2,0,0,0,0|1,0,0]=4 990 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CDS013983 [1,2,0,0,0,0|0,0,0]=3 991 B11R1.166 NC(=O)C1=C(C=C(C=C1)N)Cl CBR00399 [1,2,0,0,0,0|0,0,0]=3 992 B11R1.166 NC(=O)C1=CC=C(C=C1N)Br BBO000418 [1,2,0,0,0,0|0,0,0]=3 993 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl BBO000415 [1,2,0,0,0,0|0,0,0]=3 994 B11R1.166 NC(=O)C1=NC=C(C=C1N)Br ADE000136 [1,2,0,0,0,0|1,0,0]=4 995 B11R1.166 NC(=S)C1=CC=C(C=C1Cl)N BOG00233 [1,2,0,0,0,0|0,1,0]=4 996 B11R1.166 NC(=S)C1=CC=C(C=C1N)Cl BOG00232 [1,2,0,0,0,0|0,1,0]=4 997 B11R1.166 NC1=CC(=C(C=C1)C(=O)O)N CDS000040 [1,2,0,0,0,0|1,0,0]=4 998 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)[O-] S561061 [1,2,0,0,0,0|1,0,0]=4 999 B11R1.166 O=C(O)C1=C(C=C(C=C1)O)Cl TMT00164 [1,2,0,0,0,0|1,0,0]=4 1000 B11R1.166 O=C(O)C1=CC=C(C=C1F)O CDS002815 [1,2,0,0,0,0|1,0,0]=4 1001 B11R1.166 O=C(O)C1=CC=C(C=C1O)S PH007026 [1,2,0,0,0,0|1,0,0]=4 1002 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [1,2,0,0,0,0|1,0,0]=4 1003 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [1,2,0,0,0,0|1,0,0]=4 1004 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,2,0,0,0,0|1,0,0]=4 1005 B11R1.155 CC1=CC=CC(=C1)S(=O)(=O)N CDS012908 [1,2,0,0,0,0|1,0,0]=4 1006 B11R1.155 CS(=O)(=O)C1=CC(=CC=C1)Br PH011722 [1,2,0,0,0,0|1,0,0]=4 1007 B11R1.155 NS(=O)(=O)C1=CC(=CC=C1)Cl R436062 [1,2,0,0,0,0|1,0,0]=4 1008 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [1,2,0,0,0,0|1,0,0]=4 1009 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [1,2,0,0,0,0|0,0,0]=3 1010 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [1,2,0,0,0,0|0,0,0]=3 1011 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [1,2,0,0,0,0|1,0,0]=4 1012 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [1,2,0,0,0,0|1,0,0]=4 1013 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [1,2,0,0,0,0|1,0,0]=4 1014 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,2,0,0,0,0|0,0,0]=3 1015 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [1,2,0,0,0,0|1,0,0]=4 1016 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [1,2,0,0,0,0|1,0,0]=4 1017 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [1,2,0,0,0,0|0,0,0]=3 1018 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CDS003590 [1,2,0,0,0,0|1,0,0]=4 1019 B11R1.156 CC1=CC=CC(=C1C(=O)O)Cl CDS000889 [1,2,0,0,0,0|1,0,0]=4 1020 B11R1.156 CC1=CC=CC(=C1C(=O)O)F CDS007502 [1,2,0,0,0,0|1,0,0]=4 1021 B11R1.156 NC(=O)C1=C(C=CC=C1N)F CDS011322 [1,2,0,0,0,0|0,0,0]=3 1022 B11R1.156 NC(=S)C1=C(C=CC=C1F)F OTV000289 [1,2,0,0,0,0|0,1,0]=4 1023 B11R1.156 O=C(O)C1=C(C=CC=C1Br)O CDS023946 [1,2,0,0,0,0|1,0,0]=4 1024 B11R1.156 O=C(O)C1=C(C=CC=C1Cl)O CDS023309 [1,2,0,0,0,0|1,0,0]=4 1025 B11R1.156 O=C([O-])C1=C(C=CC=C1O)O S560618 [1,2,0,0,0,0|1,0,0]=4 1026 B11R1.159 CC(=O)C1=CC=CC(=C1Cl)Cl CDS003602 [1,2,0,0,0,0|0,0,0]=3 1027 B11R1.159 CC(=O)C1=CC=CC(=C1N)O CDS000114 [1,2,0,0,0,0|0,0,0]=3 1028 B11R1.159 CC1=C(C=CC=C1C(=O)O)O PH005167 [1,2,0,0,0,0|1,0,0]=4 1029 B11R1.159 CC1=C(C=CC=C1N)C(=O)N TMT00436 [1,2,0,0,0,0|0,0,0]=3 1030 B11R1.159 CC1=CC=CC(=C1C)C(=O)Cl CDS001566 [1,2,0,0,0,0|1,0,0]=4 1031 B11R1.159 CC1=CC=CC(=C1C)C(=O)N PH011109 [1,2,0,0,0,0|0,0,0]=3 1032 B11R1.159 CC1=CC=CC(=C1Cl)C(=O)O CDS000445 [1,2,0,0,0,0|1,0,0]=4 1033 B11R1.159 NC1=C(C=CC=C1Br)C(=O)O CDS004818 [1,2,0,0,0,0|1,0,0]=4 1034 B11R1.159 NC1=C(C=CC=C1F)C(=O)O CDS000074 [1,2,0,0,0,0|1,0,0]=4 1035 B11R1.159 NC1=C(C=CC=C1O)C(=O)O CDS000116 [1,2,0,0,0,0|1,0,0]=4 1036 B11R1.159 O=C(Cl)C1=CC=CC(=C1Cl)Cl CDS001447 [1,2,0,0,0,0|1,0,0]=4 1037 B11R1.159 O=C(O)C1=CC=CC(=C1Br)F CDS002241 [1,2,0,0,0,0|1,0,0]=4 1038 B11R1.167 CC(=O)C1=CC(=CC=C1F)Br KOB0158 [1,2,0,0,0,0|0,0,0]=3 1039 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)Br ADE000790 [1,2,0,0,0,0|1,0,0]=4 1040 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)C ADE000737 [1,2,0,0,0,0|1,0,0]=4 1041 B11R1.167 CC(=O)C1=CC(=CN=C1Cl)F ADE000775 [1,2,0,0,0,0|1,0,0]=4 1042 B11R1.167 CC(=O)C1=CC(=CN=C1F)Br PHB00150 [1,2,0,0,0,0|1,0,0]=4 1043 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N CDS003330 [1,2,0,0,0,0|0,0,0]=3 1044 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PH010267 [1,2,0,0,0,0|0,0,0]=3 1045 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [1,2,0,0,0,0|1,0,0]=4 1046 B11R1.167 CC1=CC=C(C=C1C(=N)N)F PH015014 [1,2,0,0,0,0|1,0,0]=4 1047 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)N PH011240 [1,2,0,0,0,0|0,0,0]=3 1048 B11R1.167 NC(=O)C1=C(C=CC(=C1)Cl)O PH010903 [1,2,0,0,0,0|0,0,0]=3 1049 B11R1.167 NC(=O)C1=C(C=CC(=N1)Cl)Cl S47407 [1,2,0,0,0,0|1,0,0]=4 1050 B11R1.167 NC(=O)C1=NC(=CC=C1Cl)Br CDS024201 [1,2,0,0,0,0|1,0,0]=4 1051 B11R1.167 NC(=S)C1=CC(=CC=C1O)Br OTV000263 [1,2,0,0,0,0|0,1,0]=4 1052 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [1,2,0,0,0,0|1,0,0]=4 1053 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [1,2,0,0,0,0|1,0,0]=4 1054 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [1,2,0,0,0,0|1,0,0]=4 1055 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [1,2,0,0,0,0|1,0,0]=4 1056 B11R1.167 NC1=CC=C(C=C1C(=O)[O-])Br S837253 [1,2,0,0,0,0|1,0,0]=4 1057 B11R1.167 O=C(Cl)C1=C(C=CC(=C1)Cl)Cl CDS000617 [1,2,0,0,0,0|1,0,0]=4 1058 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)Br R703230 [1,2,0,0,0,0|1,0,0]=4 1059 B11R1.167 O=C(Cl)C1=CC(=CC=C1I)I PH001989 [1,2,0,0,0,0|1,0,0]=4 1060 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CDS000426 [1,2,0,0,0,0|1,0,0]=4 1061 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)Br S17907 [1,2,0,0,0,0|1,0,0]=4 1062 B11R1.74 N=C(N)C1=CC(=CC(=C1)F)F CDS005160 [1,2,0,0,0,0|1,0,0]=4 1063 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O S360600 [1,2,0,0,0,0|0,0,0]=3 1064 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O PH011754 [1,2,0,0,0,0|1,0,0]=4 1065 B11R1.266 COC1=CC(=NC=C1)C(=O)N ADE000336 [1,2,0,0,0,0|1,0,0]=4 1066 B11R1.266 COC1=CC=CC(=N1)C(=O)N ADE000351 [1,2,0,0,0,0|1,0,0]=4 1067 B11R1.266 COC1=CN=CC(=C1)C(=O)C ADE000464 [1,2,0,0,0,0|1,0,0]=4 1068 B11R1.266 N#CC1=CC(=CC=C1)C(=O)N CDS011401 [1,2,0,0,0,0|0,0,0]=3 1069 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [1,2,0,0,0,0|1,0,0]=4 1070 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [1,2,0,0,0,0|1,0,0]=4 1071 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [1,2,0,0,0,0|1,0,0]=4 1072 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,2,0,0,0,0|0,0,1]=4 1073 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,2,0,0,0,0|1,0,0]=4 1074 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,2,0,0,0,0|0,0,1]=4 1075 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [1,2,0,0,0,0|0,0,1]=4 1076 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,2,0,0,0,0|0,0,1]=4 1077 B11R1.192 CNCC1=CC(=C(C=C1)Cl)Cl PH010199 [1,2,0,0,0,0|0,0,1]=4 1078 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,2,0,0,0,0|1,0,0]=4 1079 B11R1.86 C/[N+](=C/C1=C(C=CC=C1)O)/[O-] L170356 [1,2,0,0,0,0|0,0,1]=4 1080 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,2,0,0,0,0|0,0,1]=4 1081 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [1,2,0,0,0,0|0,0,1]=4 1082 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [1,2,0,0,0,0|0,0,1]=4 1083 B11R1.182 CNCC1=CC(=CC=C1Cl)Cl PH016788 [1,2,0,0,0,0|0,0,1]=4 1084 B11R1.182 CNCC1=CC(=CC=C1O)F CDS021392 [1,2,0,0,0,0|0,0,1]=4 1085 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [1,2,0,0,0,0|0,0,1]=4 1086 B11R1.189 C/N=C/C1=CC=CC(=C1)OC S683248 [1,2,0,0,0,0|0,0,1]=4 1087 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,2,0,0,0,0|1,0,0]=4 1088 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,2,0,0,0,0|1,0,0]=4 1089 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,2,0,0,0,0|0,0,1]=4 1090 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,2,0,0,0,0|0,0,1]=4 1091 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,2,0,0,0,0|1,0,0]=4 1092 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,2,0,0,0,0|0,0,1]=4 1093 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,2,0,0,0,0|1,0,0]=4 1094 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,2,0,0,0,0|0,0,1]=4 1095 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,2,0,0,0,0|0,0,1]=4 1096 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [1,2,0,0,0,0|0,0,1]=4 1097 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [1,2,0,0,0,0|0,0,1]=4 1098 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,2,0,0,0,0|0,0,1]=4 1099 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,2,0,0,0,0|0,0,1]=4 1100 B11R1.91 CN(C)/C=C/C1=CC=NC=C1 PH014856 [1,2,0,0,0,0|1,0,0]=4 1101 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [1,2,0,0,0,0|0,0,0]=3 1102 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [1,2,0,0,0,0|0,0,0]=3 1103 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,2,0,0,0,0|0,0,1]=4 1104 B11R1.29 NCCNC(=O)C1=CC=CO1 R733512 [0,2,0,0,1,0|1,0,0]=4 1105 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,1,0,0,0,2|0,0,0]=3 1106 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,1,0,0,0,2|0,0,0]=3 1107 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,1,0,0,0,2|1,0,0]=4 1108 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,1,0,0,0,2|1,0,0]=4 1109 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,1,0,0,0,2|1,0,0]=4 1110 B13R1.11 C[C@H](NC(=O)NN)C1=CC=CC=C1 T186848 [0,1,0,0,0,2|1,0,0]=4 1111 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,1,0,0,0,2|1,0,0]=4 1112 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [0,1,0,0,0,2|1,0,0]=4 1113 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,1,0,0,0,2|1,0,0]=4 1114 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,1,0,0,0,2|0,0,0]=3 1115 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,0,2|0,0,0]=3 1116 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,1,0,0,0,2|1,0,0]=4 1117 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,1,0,0,0,2|1,0,0]=4 1118 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,1,0,0,0,2|1,0,0]=4 1119 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,1,0,0,0,2|1,0,0]=4 1120 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,1,0,0,0,2|1,0,0]=4 1121 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,1,0,0,0,2|1,0,0]=4 1122 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,1,0,0,0,2|1,0,0]=4 1123 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl JRD0868 [0,1,0,0,0,2|1,0,0]=4 1124 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,1,0,0,0,2|1,0,0]=4 1125 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,1,0,0,0,2|0,0,0]=3 1126 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,1,0,0,0,2|1,0,0]=4 1127 B13R1.42 CC=CC(=O)NCC1=CC=CC=C1 S527947 [0,1,0,0,0,2|1,0,0]=4 1128 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [0,1,0,0,0,2|1,0,0]=4 1129 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 PH007173 [0,1,0,0,0,2|1,0,0]=4 1130 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [0,1,0,0,0,2|0,0,0]=3 1131 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 PH007156 [0,1,0,0,0,2|0,1,0]=4 1132 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,1,0,0,0,2|1,0,0]=4 1133 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,1,0,0,0,2|1,0,0]=4 1134 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,1,0,0,0,2|1,0,0]=4 1135 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [0,1,0,0,0,2|1,0,0]=4 1136 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,1,0,0,0,2|0,0,0]=3 1137 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 S358282 [0,1,0,0,0,2|1,0,0]=4 1138 B13R1.42 O=C(CCO)NNC1=CC=CC=C1 PH007197 [0,1,0,0,0,2|1,0,0]=4 1139 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,1,0,0,0,2|1,0,0]=4 1140 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,1,0,0,0,2|1,0,0]=4 1141 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,1,0,0,0,2|1,0,0]=4 1142 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,1,0,0,0,2|1,0,0]=4 1143 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,1,0,0,0,2|1,0,0]=4 1144 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,1,0,0,0,2|1,0,0]=4 1145 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,2|1,0,0]=4 1146 B13R1.351 CC(Br)C(=O)OCC1=CC=CC=C1 PH008809 [0,1,0,0,0,2|1,0,0]=4 1147 B13R1.351 CC(C)C(=O)/C=C/C1=CC=CC=C1 R252786 [0,1,0,0,0,2|1,0,0]=4 1148 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 PH000319 [0,1,0,0,0,2|1,0,0]=4 1149 B13R1.351 CC(C)C(=O)NCC1=CC=CC=C1 R343803 [0,1,0,0,0,2|1,0,0]=4 1150 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [0,1,0,0,0,2|1,0,0]=4 1151 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [0,1,0,0,0,2|1,0,0]=4 1152 B13R1.351 CC(O)C(=O)O[Hg]C1=CC=CC=C1 S354589 [0,1,0,0,0,2|1,0,0]=4 1153 B13R1.351 CN(C)C(=O)/C=C/C1=CC=CC=C1 PH006876 [0,1,0,0,0,2|0,0,0]=3 1154 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 S542717 [0,1,0,0,0,2|0,1,0]=4 1155 B13R1.351 CN(C)C(=S)S[Hg]C1=CC=CC=C1 S366145 [0,1,0,0,0,2|0,1,0]=4 1156 B13R1.528 CC1=CC=CC=C1OCC(=O)NN R396877 [0,1,0,0,0,2|1,0,0]=4 1157 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,1,0,0,0,2|1,0,0]=4 1158 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,1,0,0,0,2|0,0,0]=3 1159 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,1,0,0,0,2|1,0,0]=4 1160 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,1,0,0,0,2|1,0,0]=4 1161 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [0,1,0,0,0,2|1,0,0]=4 1162 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)Br S718157 [0,2,0,0,0,1|1,0,0]=4 1163 B13R1.19 C/C=C/C(=O)NC1=CC=C(C=C1)C S659401 [0,2,0,0,0,1|1,0,0]=4 1164 B13R1.19 CC1=CC=C(C=C1)NC(=O)CCO S652881 [0,2,0,0,0,1|1,0,0]=4 1165 B13R1.19 CC1=CC=C(C=C1)NC(=O)CCS S363057 [0,2,0,0,0,1|1,0,0]=4 1166 B13R1.19 CCCC(=O)CC1=CC=C(C=C1)Cl ASX00033 [0,2,0,0,0,1|1,0,0]=4 1167 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)C R343293 [0,2,0,0,0,1|1,0,0]=4 1168 B13R1.19 CCCC(=O)NC1=CC=C(C=C1)N R703184 [0,2,0,0,0,1|1,0,0]=4 1169 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Br S628255 [0,2,0,0,0,1|0,0,0]=3 1170 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)C S644285 [0,2,0,0,0,1|0,0,0]=3 1171 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S279846 [0,2,0,0,0,1|0,0,0]=3 1172 B13R1.19 CCNC(=O)NC1=CC=C(C=C1)Cl S591521 [0,2,0,0,0,1|0,0,0]=3 1173 B13R1.19 CCNC(=O)OC1=CC=C(C=C1)C S690589 [0,2,0,0,0,1|0,0,0]=3 1174 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)Br TMT00107 [0,2,0,0,0,1|0,1,0]=4 1175 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)C S553816 [0,2,0,0,0,1|0,1,0]=4 1176 B13R1.19 CCNC(=S)NC1=CC=C(C=C1)F TMT00076 [0,2,0,0,0,1|0,1,0]=4 1177 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl S668745 [0,2,0,0,0,1|1,0,0]=4 1178 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PH009742 [0,2,0,0,0,1|1,0,0]=4 1179 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)O PH011119 [0,2,0,0,0,1|1,0,0]=4 1180 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Br S666599 [0,2,0,0,0,1|1,0,0]=4 1181 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)C S643963 [0,2,0,0,0,1|1,0,0]=4 1182 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)Cl S361577 [0,2,0,0,0,1|1,0,0]=4 1183 B13R1.19 CCOC(=O)NC1=CC=C(C=C1)N CBR00185 [0,2,0,0,0,1|1,0,0]=4 1184 B13R1.19 CCOC(=O)OC1=CC=C(C=C1)Cl PH008708 [0,2,0,0,0,1|1,0,0]=4 1185 B13R1.19 CONC(=O)NC1=CC=C(C=C1)Cl PH008685 [0,2,0,0,0,1|0,0,0]=3 1186 B13R1.19 N#CNC(=O)NC1=CC=C(C=C1)Cl S856533 [0,2,0,0,0,1|0,0,1]=4 1187 B13R1.19 O=C(CCCl)NC1=CC=C(C=C1)F S529540 [0,2,0,0,0,1|1,0,0]=4 1188 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)F S732389 [0,2,0,0,0,1|1,0,0]=4 1189 B13R1.20 CCCC(=O)NC1=CC(=CC=C1)N R703192 [0,2,0,0,0,1|1,0,0]=4 1190 B13R1.20 CCNC(=O)NC1=CC(=CC=C1)C S646628 [0,2,0,0,0,1|0,0,0]=3 1191 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Br S711098 [0,2,0,0,0,1|0,0,0]=3 1192 B13R1.20 CCNC(=O)NC1=CC=CC(=C1)Cl S623717 [0,2,0,0,0,1|0,0,0]=3 1193 B13R1.20 CCNC(=S)NC1=CC(=CC=C1)C S553808 [0,2,0,0,0,1|0,1,0]=4 1194 B13R1.20 CCOC(=O)NC1=CC(=CC=C1)Cl S361569 [0,2,0,0,0,1|1,0,0]=4 1195 B13R1.20 CCOC(=O)NC1=CC=CC(=C1)N CBR02372 [0,2,0,0,0,1|1,0,0]=4 1196 B13R1.20 CCOC(=O)OC1=CC=CC(=C1)C S590789 [0,2,0,0,0,1|1,0,0]=4 1197 B13R1.44 C#CCOC(=O)NC1=CC=CC=C1 S370479 [0,2,0,0,0,1|1,0,0]=4 1198 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 S591424 [0,2,0,0,0,1|0,0,0]=3 1199 B13R1.44 C=CCNC(=S)NC1=CC=CC=C1 S519847 [0,2,0,0,0,1|0,1,0]=4 1200 B13R1.44 C=CCOC(=O)NC1=CC=CC=C1 PH008700 [0,2,0,0,0,1|1,0,0]=4 1201 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [0,2,0,0,0,1|0,0,0]=3 1202 B13R1.44 CCCNC(=S)NC1=CC=CC=C1 S615218 [0,2,0,0,0,1|0,1,0]=4 1203 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [0,2,0,0,0,1|1,0,0]=4 1204 B13R1.44 CCONC(=O)NC1=CC=CC=C1 R270830 [0,2,0,0,0,1|0,0,0]=3 1205 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [0,2,0,0,0,1|0,0,0]=3 1206 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [0,2,0,0,0,1|1,0,0]=4 1207 B13R1.44 O=C(NC1=CC=CC=C1)OCCBr S711675 [0,2,0,0,0,1|1,0,0]=4 1208 B13R1.44 O=C(NC1=CC=CC=C1)OCCCl S594172 [0,2,0,0,0,1|1,0,0]=4 1209 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [0,2,0,0,0,1|0,0,0]=3 1210 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [0,2,0,0,0,1|0,0,0]=3 1211 B13R1.44 OCCNC(=S)NC1=CC=CC=C1 S531359 [0,2,0,0,0,1|0,1,0]=4 1212 B13R1.47 CCNC(=S)N(C)C1=CC=CC=C1 PH007347 [0,2,0,0,0,1|0,1,0]=4 1213 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 S353396 [0,2,0,0,0,1|1,0,0]=4 1214 B13R1.47 CCOC(=O)N(O)C1=CC=CC=C1 S857505 [0,2,0,0,0,1|1,0,0]=4 1215 B13R1.47 CN(C(=O)CCCl)C1=CC=CC=C1 PH010965 [0,2,0,0,0,1|1,0,0]=4 1216 B13R1.79 CCS/C(=N/C1=CC=CC=C1)/NC PH012162 [0,2,0,0,0,1|0,1,0]=4 1217 B13R1.348 CC(=CC(=O)NC1=CC=CC=C1)C PH007530 [0,2,0,0,0,1|1,0,0]=4 1218 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,2,0,0,0,1|1,0,0]=4 1219 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,2,0,0,0,1|0,0,0]=3 1220 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,2,0,0,0,1|0,1,0]=4 1221 B13R1.348 CC(C)NC(=O)NC1=CC=CC=C1 S613193 [0,2,0,0,0,1|0,0,0]=3 1222 B13R1.348 CC(C)SC(=O)NC1=CC=CC=C1 S643939 [0,2,0,0,0,1|1,0,0]=4 1223 B13R1.348 CC(Cl)OC(=O)SC1=CC=CC=C1 S898910 [0,2,0,0,0,1|1,0,0]=4 1224 B13R1.348 CN(C)NC(=O)NC1=CC=CC=C1 S606286 [0,2,0,0,0,1|0,0,0]=3 1225 B13R1.348 CN(C)NC(=S)NC1=CC=CC=C1 S632015 [0,2,0,0,0,1|0,1,0]=4 1226 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,2,0,0,0,1|0,0,1]=4 1227 B13R1.348 NC(=O)NC(=O)NC1=CC=CC=C1 S862673 [0,2,0,0,0,1|0,0,1]=4 1228 B13R1.470 C/C=C/C(=O)NC1=C(C=CC=C1)F S795585 [0,2,0,0,0,1|1,0,0]=4 1229 B13R1.470 CCCC(=O)CC1=CC=CC=C1F ASX00046 [0,2,0,0,0,1|1,0,0]=4 1230 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br CDS023697 [0,2,0,0,0,1|0,0,0]=3 1231 B13R1.470 CCNC(=O)NC1=C(C=CC=C1)C S640336 [0,2,0,0,0,1|0,0,0]=3 1232 B13R1.470 CCNC(=O)NC1=CC=CC=C1Cl S595683 [0,2,0,0,0,1|0,0,0]=3 1233 B13R1.470 CCNC(=S)NC1=C(C=CC=C1)F S675040 [0,2,0,0,0,1|0,1,0]=4 1234 B13R1.470 CCNC(=S)NC1=CC=CC=C1N TMT00573 [0,2,0,0,0,1|0,1,0]=4 1235 B13R1.470 CCOC(=O)CC1=C(C=CC=C1)Br PH009974 [0,2,0,0,0,1|1,0,0]=4 1236 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)C S644102 [0,2,0,0,0,1|1,0,0]=4 1237 B13R1.470 CCOC(=O)NC1=C(C=CC=C1)Cl S595357 [0,2,0,0,0,1|1,0,0]=4 1238 B13R1.21 COC(=O)C(Cl)C1=CC=C(C=C1)F PH014958 [0,2,0,0,0,1|1,0,0]=4 1239 B13R1.22 COC(=O)C(N)C1=CC(=CC=C1)F CDS021188 [0,2,0,0,0,1|1,0,0]=4 1240 B13R1.22 COC(=O)C(N)C1=CC=CC(=C1)C CBR00930 [0,2,0,0,0,1|1,0,0]=4 1241 B13R1.22 COC(=O)N(O)C1=CC(=CC=C1)Cl S857858 [0,2,0,0,0,1|1,0,0]=4 1242 B13R1.532 CCC(=O)C(C#N)C1=CC=CC=C1 PH010239 [0,2,0,0,0,1|1,0,0]=4 1243 B13R1.532 CCC(=O)C(CC)C1=CC=CC=C1 S354570 [0,2,0,0,0,1|1,0,0]=4 1244 B13R1.532 COC(=O)C(OC)C1=CC=CC=C1 PH002076 [0,2,0,0,0,1|1,0,0]=4 1245 B13R1.532 COC(=O)[C@@H](OC)C1=CC=CC=C1 PH001769 [0,2,0,0,0,1|1,0,0]=4 1246 B13R1.696 COC(=O)C(O)C1=CC=CC=C1Cl PH009461 [0,2,0,0,0,1|1,0,0]=4 1247 B13R1.696 COC(=O)[C@H](N)C1=C(C=CC=C1)Cl CDS021821 [0,2,0,0,0,1|1,0,0]=4 1248 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 CDS020879 [0,2,0,0,0,1|1,0,0]=4 1249 B13R1.133 CC(C)C(=O)OC1=CC=C(C=C1)Cl PH008585 [0,2,0,0,0,1|1,0,0]=4 1250 B13R1.133 CC1=CC=C(C=C1)NC(=O)C(C)C R343773 [0,2,0,0,0,1|1,0,0]=4 1251 B13R1.133 CC1=CC=C(C=C1)NC(=O)N(C)C S613215 [0,2,0,0,0,1|0,0,0]=3 1252 B13R1.133 CC1=CC=C(C=C1)NC(=S)N(C)C S536393 [0,2,0,0,0,1|0,1,0]=4 1253 B13R1.133 CC1=CC=C(C=C1)OC(=O)C(C)C S528501 [0,2,0,0,0,1|1,0,0]=4 1254 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br CBR00435 [0,2,0,0,0,1|0,0,0]=3 1255 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,2,0,0,0,1|0,0,0]=3 1256 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)Br S597708 [0,2,0,0,0,1|0,0,0]=3 1257 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)F S601640 [0,2,0,0,0,1|0,0,0]=3 1258 B13R1.133 CN(C)C(=O)NC1=CC=C(C=C1)I S905356 [0,2,0,0,0,1|0,0,0]=3 1259 B13R1.133 CN(C)C(=O)SC1=CC=C(C=C1)Cl PH007504 [0,2,0,0,0,1|0,0,0]=3 1260 B13R1.133 CN(C)C(=S)NC1=CC=C(C=C1)Cl S541206 [0,2,0,0,0,1|0,1,0]=4 1261 B13R1.148 CC1=CC=CC(=C1)NC(=O)N(C)C S604631 [0,2,0,0,0,1|0,0,0]=3 1262 B13R1.148 CC1=CC=CC(=C1)NC(=S)N(C)C S373389 [0,2,0,0,0,1|0,1,0]=4 1263 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)Cl PH008587 [0,2,0,0,0,1|0,0,0]=3 1264 B13R1.148 CN(C)C(=O)NC1=CC(=CC=C1)Cl S590371 [0,2,0,0,0,1|0,0,0]=3 1265 B13R1.148 CN(C)C(=O)NC1=CC=CC(=C1)Br S717878 [0,2,0,0,0,1|0,0,0]=3 1266 B13R1.202 CC1=C(C=CC=C1)NC(=O)N(C)C S606278 [0,2,0,0,0,1|0,0,0]=3 1267 B13R1.202 CC1=C(C=CC=C1)NC(=S)N(C)C S361151 [0,2,0,0,0,1|0,1,0]=4 1268 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,2,0,0,0,1|1,0,0]=4 1269 B13R1.1073 CN(C)S(=O)(=O)CC1=CC=CC=C1 T299715 [0,2,0,0,0,1|1,0,0]=4 1270 B13R1.1073 CN(C)S(=O)(=O)NC1=CC=CC=C1 PH010688 [0,2,0,0,0,1|1,0,0]=4 1271 B13R1.5 C=CC1=CC=C(C=C1)CC(=O)OC PH008533 [0,2,0,0,0,1|1,0,0]=4 1272 B13R1.5 CCC(=O)NC1=CC=C(C=C1)C#N EME00296 [0,2,0,0,0,1|1,0,0]=4 1273 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,2,0,0,0,1|1,0,0]=4 1274 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PH015230 [0,2,0,0,0,1|1,0,0]=4 1275 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,2,0,0,0,1|0,0,0]=3 1276 B13R1.5 CNC(=O)OC1=CC=C(C=C1)SC S791954 [0,2,0,0,0,1|0,0,0]=3 1277 B13R1.5 CNC(=S)NC1=CC=C(C=C1)OC PH010048 [0,2,0,0,0,1|0,1,0]=4 1278 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,2,0,0,0,1|1,0,0]=4 1279 B13R1.5 COC1=CC=C(C=C1)NC(=O)NO S649694 [0,2,0,0,0,1|1,0,0]=4 1280 B13R1.249 CNS(=O)(=O)OC1=CC=C(C=C1)Cl PH008057 [0,2,0,0,0,1|1,0,0]=4 1281 B13R1.2679 CC1=CC=C(C(=C1)C)NC(=O)NN S924512 [0,2,0,0,0,1|1,0,0]=4 1282 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)C)C S890308 [0,2,0,0,0,1|1,0,0]=4 1283 B13R1.2679 CCC(=O)NC1=C(C=C(C=C1)Cl)C S772763 [0,2,0,0,0,1|1,0,0]=4 1284 B13R1.2679 CNC(=O)NC1=C(C=C(C=C1)C)C S606782 [0,2,0,0,0,1|0,0,0]=3 1285 B13R1.2679 CNC(=O)NC1=CC=C(C=C1C)Cl S638129 [0,2,0,0,0,1|0,0,0]=3 1286 B13R1.2679 CNC(=O)NC1=CC=C(C=C1Cl)Cl S613517 [0,2,0,0,0,1|0,0,0]=3 1287 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Br)Br S867209 [0,2,0,0,0,1|0,0,0]=3 1288 B13R1.2679 CNC(=O)OC1=CC=C(C=C1Cl)Cl S724378 [0,2,0,0,0,1|0,0,0]=3 1289 B13R1.2679 CNC(=S)NC1=C(C=C(C=C1)C)C PH011678 [0,2,0,0,0,1|0,1,0]=4 1290 B13R1.2679 COC(=O)CC1=C(C=C(C=C1)F)Cl TMT00408 [0,2,0,0,0,1|1,0,0]=4 1291 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)C)C S606839 [0,2,0,0,0,1|1,0,0]=4 1292 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)C S625272 [0,2,0,0,0,1|1,0,0]=4 1293 B13R1.2679 COC(=O)NC1=C(C=C(C=C1)Cl)Cl S612839 [0,2,0,0,0,1|1,0,0]=4 1294 B13R1.2679 COC(=O)OC1=CC=C(C=C1Cl)F PH016916 [0,2,0,0,0,1|1,0,0]=4 1295 B13R1.2679 O=C(NO)NC1=CC=C(C=C1Cl)Cl S647268 [0,2,0,0,0,1|1,0,0]=4 1296 B13R1.2879 CC1=CC=C(C=C1Cl)NC(=O)NO S735493 [0,2,0,0,0,1|1,0,0]=4 1297 B13R1.2879 CCC(=O)NC1=CC(=C(C=C1)C)Cl S790990 [0,2,0,0,0,1|1,0,0]=4 1298 B13R1.2879 CNC(=O)NC1=CC(=C(C=C1)C)C S650862 [0,2,0,0,0,1|0,0,0]=3 1299 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)C S646725 [0,2,0,0,0,1|0,0,0]=3 1300 B13R1.2879 CNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613053 [0,2,0,0,0,1|0,0,0]=3 1301 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)C)Cl S891975 [0,2,0,0,0,1|0,0,0]=3 1302 B13R1.2879 CNC(=O)OC1=CC=C(C(=C1)Cl)Cl S725323 [0,2,0,0,0,1|0,0,0]=3 1303 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)Cl PH003559 [0,2,0,0,0,1|1,0,0]=4 1304 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)C T168629 [0,2,0,0,0,1|1,0,0]=4 1305 B13R1.2879 COC(=O)NC1=CC(=C(C=C1)C)Cl S625159 [0,2,0,0,0,1|1,0,0]=4 1306 B13R1.2879 COC(=O)NC1=CC=C(C(=C1)Cl)Cl S606448 [0,2,0,0,0,1|1,0,0]=4 1307 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Br)C R131431 [0,2,0,0,0,1|1,0,0]=4 1308 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)C)C S890294 [0,2,0,0,0,1|1,0,0]=4 1309 B13R1.40 CCC(=O)NC1=C(C(=CC=C1)Cl)C S555355 [0,2,0,0,0,1|1,0,0]=4 1310 B13R1.40 CNC(=O)NC1=C(C(=CC=C1)C)C S644021 [0,2,0,0,0,1|0,0,0]=3 1311 B13R1.40 CNC(=O)NC1=CC=CC(=C1Cl)Cl S623687 [0,2,0,0,0,1|0,0,0]=3 1312 B13R1.40 CNC(=O)OC1=CC=CC(=C1C)C PH009025 [0,2,0,0,0,1|0,0,0]=3 1313 B13R1.40 COC(=O)NC1=C(C(=CC=C1)Cl)Cl S638102 [0,2,0,0,0,1|1,0,0]=4 1314 B13R1.81 CCC(=O)NC1=CC(=CC=C1)C#N EME00239 [0,2,0,0,0,1|1,0,0]=4 1315 B13R1.81 CCC(=O)NC1=CC(=CC=C1)OC S101311 [0,2,0,0,0,1|1,0,0]=4 1316 B13R1.81 CCC1=CC(=CC=C1)OC(=O)NC S763179 [0,2,0,0,0,1|0,0,0]=3 1317 B13R1.81 CNC(=O)NC1=CC=CC(=C1)OC S647217 [0,2,0,0,0,1|0,0,0]=3 1318 B13R1.81 CNC(=S)NC1=CC(=CC=C1)OC TMT00075 [0,2,0,0,0,1|0,1,0]=4 1319 B13R1.81 COC(=O)CC1=CC(=CC=C1)C#N PH003567 [0,2,0,0,0,1|1,0,0]=4 1320 B13R1.81 COC(=O)NC1=CC(=CC=C1)OC S609366 [0,2,0,0,0,1|1,0,0]=4 1321 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)C)Cl S844055 [0,2,0,0,0,1|1,0,0]=4 1322 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)Cl)C S778729 [0,2,0,0,0,1|1,0,0]=4 1323 B13R1.2872 CCC(=O)NC1=C(C=CC(=C1)F)F S694797 [0,2,0,0,0,1|1,0,0]=4 1324 B13R1.2872 CNC(=O)NC1=C(C=CC(=C1)C)C S636657 [0,2,0,0,0,1|0,0,0]=3 1325 B13R1.2872 CNC(=O)NC1=CC(=CC=C1C)Cl S611026 [0,2,0,0,0,1|0,0,0]=3 1326 B13R1.2872 CNC(=O)NC1=CC(=CC=C1Cl)Cl S636495 [0,2,0,0,0,1|0,0,0]=3 1327 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)C)C S636231 [0,2,0,0,0,1|1,0,0]=4 1328 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)C S610194 [0,2,0,0,0,1|1,0,0]=4 1329 B13R1.2872 COC(=O)NC1=C(C=CC(=C1)Cl)Cl S594113 [0,2,0,0,0,1|1,0,0]=4 1330 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)C)C S661082 [0,2,0,0,0,1|0,0,0]=3 1331 B13R1.2874 CNC(=O)NC1=CC(=CC(=C1)Cl)Cl S698679 [0,2,0,0,0,1|0,0,0]=3 1332 B13R1.91 CCC(=O)NC1=C(C=CC=C1)OC PH009614 [0,2,0,0,0,1|1,0,0]=4 1333 B13R1.91 CCC1=C(C=CC=C1)NC(=O)OC S650633 [0,2,0,0,0,1|1,0,0]=4 1334 B13R1.91 CCC1=CC=CC=C1NC(=O)NC S652709 [0,2,0,0,0,1|0,0,0]=3 1335 B13R1.91 CCC1=CC=CC=C1NC(=S)NC S900567 [0,2,0,0,0,1|0,1,0]=4 1336 B13R1.91 CNC(=O)NC1=CC=CC=C1OC S633925 [0,2,0,0,0,1|0,0,0]=3 1337 B13R1.91 CNC(=O)OC1=C(C=CC=C1)OC PH009207 [0,2,0,0,0,1|0,0,0]=3 1338 B13R1.91 COC(=O)CC1=CC=CC=C1CBr PH003542 [0,2,0,0,0,1|1,0,0]=4 1339 B13R1.91 COC(=O)CC1=CC=CC=C1OC PH011317 [0,2,0,0,0,1|1,0,0]=4 1340 B13R1.91 COC(=O)NC1=C(C=CC=C1)OC S638536 [0,2,0,0,0,1|1,0,0]=4 1341 B13R1.91 COC1=CC=CC=C1NC(=O)NO S650277 [0,2,0,0,0,1|1,0,0]=4 1342 B13R1.4928 CCC(=O)NC1=C(C=CC=C1C)C S791032 [0,2,0,0,0,1|1,0,0]=4 1343 B13R1.4928 CNC(=O)NC1=C(C=CC=C1C)C S664529 [0,2,0,0,0,1|0,0,0]=3 1344 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)C S647179 [0,2,0,0,0,1|0,0,0]=3 1345 B13R1.4928 CNC(=O)NC1=C(C=CC=C1Cl)Cl S665665 [0,2,0,0,0,1|0,0,0]=3 1346 B13R1.4928 CNC(=O)OC1=C(C=CC=C1C)C PH009325 [0,2,0,0,0,1|0,0,0]=3 1347 B13R1.4928 CNC(=S)NC1=C(C=CC=C1C)C S900559 [0,2,0,0,0,1|0,1,0]=4 1348 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)C S667765 [0,2,0,0,0,1|1,0,0]=4 1349 B13R1.4928 COC(=O)NC1=C(C=CC=C1C)Cl S667625 [0,2,0,0,0,1|1,0,0]=4 1350 B13R1.4928 COC(=O)NC1=C(C=CC=C1Cl)Cl S597287 [0,2,0,0,0,1|1,0,0]=4 1351 B13R1.187 CNS(=O)(=O)C1=CC=C(C=C1)OC PH005144 [0,3,0,0,0,0|1,0,0]=4 1352 B13R1.272 CNS(=O)(=O)C1=CC=C(C(=C1)Cl)Cl PH010179 [0,3,0,0,0,0|1,0,0]=4 1353 B13R1.272 CNS(=O)(=O)C1=CC=C(C(=C1)O)N PH012784 [0,3,0,0,0,0|1,0,0]=4 1354 B13R1.522 CC1=CC=C(C=C1)S(=O)(=O)N(C)C PH009895 [0,3,0,0,0,0|1,0,0]=4 1355 B13R1.522 CN(C)S(=O)(=O)C1=CC=C(C=C1)N CDS014211 [0,3,0,0,0,0|1,0,0]=4 1356 B13R1.257 CNS(=O)(=O)C1=C(C=CC(=C1)C)C PH000431 [0,3,0,0,0,0|1,0,0]=4 1357 B13R1.3493 CN(C)S(=O)(=O)C1=CC=CC(=C1)Br CDS003622 [0,3,0,0,0,0|1,0,0]=4 1358 B13R1.122 C=CCNS(=O)(=O)C1=CC=CC=C1 R150207 [0,3,0,0,0,0|1,0,0]=4 1359 B13R1.122 O=S(=O)(NCCCl)C1=CC=CC=C1 R151564 [0,3,0,0,0,0|1,0,0]=4 1360 B13R1.122 O=S(=O)(NCCO)C1=CC=CC=C1 PH010551 [0,3,0,0,0,0|1,0,0]=4 1361 B13R1.347 CC(=O)NS(=O)(=O)C1=CC=CC=C1 PH008266 [0,3,0,0,0,0|1,0,0]=4 1362 B13R1.347 CN(C)NS(=O)(=O)C1=CC=CC=C1 PH008170 [0,3,0,0,0,0|1,0,0]=4 1363 B13R1.713 CN(C)/C=C(\C#N)/C1=CC=CC=C1 L166871 [0,3,0,0,0,0|1,0,0]=4 1364 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [0,3,0,0,0,0|0,0,1]=4 1365 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)I CDS023358 [0,3,0,0,0,0|0,0,0]=3 1366 B13R1.17 C=CCNC(=O)C1=CN=C(C=C1)Cl EME00417 [0,3,0,0,0,0|1,0,0]=4 1367 B13R1.17 CC1=CC=C(C=C1)C(=O)CCCCl S344338 [0,3,0,0,0,0|1,0,0]=4 1368 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)C S409480 [0,3,0,0,0,0|1,0,0]=4 1369 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl S344656 [0,3,0,0,0,0|1,0,0]=4 1370 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F S349917 [0,3,0,0,0,0|1,0,0]=4 1371 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)Cl R462950 [0,3,0,0,0,0|0,0,0]=3 1372 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)F VBP00078 [0,3,0,0,0,0|0,0,0]=3 1373 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Br L481971 [0,3,0,0,0,0|1,0,0]=4 1374 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Cl L481963 [0,3,0,0,0,0|1,0,0]=4 1375 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)F L481998 [0,3,0,0,0,0|1,0,0]=4 1376 B13R1.17 N#CCNC(=O)C1=CC=C(C=C1)Cl R462977 [0,3,0,0,0,0|0,0,0]=3 1377 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Br PH011618 [0,3,0,0,0,0|1,0,0]=4 1378 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Cl S535583 [0,3,0,0,0,0|1,0,0]=4 1379 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)O R751758 [0,3,0,0,0,0|1,0,0]=4 1380 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CDS000361 [0,3,0,0,0,0|1,0,0]=4 1381 B13R1.17 OCCNC(=S)C1=CC=C(C=C1)Br T149160 [0,3,0,0,0,0|0,1,0]=4 1382 B13R1.132 CC(=CC(=O)C1=CC=C(C=C1)C)C S313874 [0,3,0,0,0,0|1,0,0]=4 1383 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,3,0,0,0,0|1,0,0]=4 1384 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,3,0,0,0,0|0,0,0]=3 1385 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N CBR01240 [0,3,0,0,0,0|0,0,0]=3 1386 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [0,3,0,0,0,0|1,0,0]=4 1387 B13R1.132 NC(=O)NC(=O)C1=CC=C(C=C1)N PH007186 [0,3,0,0,0,0|0,0,1]=4 1388 B13R1.452 C/C=C/C(=O)C1=CC=C(C=C1)OC PH007387 [0,3,0,0,0,0|1,0,0]=4 1389 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [0,3,0,0,0,0|1,0,0]=4 1390 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr CDS001471 [0,3,0,0,0,0|1,0,0]=4 1391 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN CDS011342 [0,3,0,0,0,0|1,0,0]=4 1392 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl T276391 [0,3,0,0,0,0|1,0,0]=4 1393 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [0,3,0,0,0,0|1,0,0]=4 1394 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [0,3,0,0,0,0|1,0,0]=4 1395 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [0,3,0,0,0,0|1,0,0]=4 1396 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)C)C OTV000738 [0,3,0,0,0,0|1,0,0]=4 1397 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)O PH007973 [0,3,0,0,0,0|1,0,0]=4 1398 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PH011191 [0,3,0,0,0,0|1,0,0]=4 1399 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [0,3,0,0,0,0|1,0,0]=4 1400 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [0,3,0,0,0,0|1,0,0]=4 1401 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O S947784 [0,3,0,0,0,0|1,0,0]=4 1402 B13R1.1511 COCC(=O)C1=CC=C(C=C1O)O S863483 [0,3,0,0,0,0|1,0,0]=4 1403 B13R1.18 C#CCNC(=O)C1=CC=CC(=C1)F CDS023303 [0,3,0,0,0,0|0,0,0]=3 1404 B13R1.18 C=CCNC(=O)C1=CC(=CN=C1)Br T314781 [0,3,0,0,0,0|1,0,0]=4 1405 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [0,3,0,0,0,0|0,0,0]=3 1406 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [0,3,0,0,0,0|0,0,0]=3 1407 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [0,3,0,0,0,0|0,0,0]=3 1408 B13R1.18 O=C(NCCO)C1=CC(=CN=C1)Br EME00387 [0,3,0,0,0,0|1,0,0]=4 1409 B13R1.147 CC(C)NC(=O)C1=CC=CC(=C1)N CBR01392 [0,3,0,0,0,0|0,0,0]=3 1410 B13R1.147 CN(C)NC(=O)C1=CC=CC(=C1)Cl PH007551 [0,3,0,0,0,0|0,0,0]=3 1411 B13R1.147 NC(=O)NC(=O)C1=CC=CC(=C1)Br PH009582 [0,3,0,0,0,0|0,0,1]=4 1412 B13R1.446 CCCC(=O)C1=C(C=CC(=C1)C)O PH004501 [0,3,0,0,0,0|1,0,0]=4 1413 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [0,3,0,0,0,0|1,0,0]=4 1414 B13R1.450 CCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344397 [0,3,0,0,0,0|0,0,0]=3 1415 B13R1.460 CCCC(=O)C1=CC=CC(=C1)OC PH010216 [0,3,0,0,0,0|1,0,0]=4 1416 B13R1.460 CCNC(=O)C1=CC(=CC=C1)C#N EME00414 [0,3,0,0,0,0|0,0,0]=3 1417 B13R1.460 CCOC(=O)C1=CC=CC(=C1)NN CBR00739 [0,3,0,0,0,0|1,0,0]=4 1418 B13R1.460 CCOC(=O)C1=CC=CC(=C1)OC TMT00631 [0,3,0,0,0,0|1,0,0]=4 1419 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [0,3,0,0,0,0|1,0,0]=4 1420 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [0,3,0,0,0,0|0,0,0]=3 1421 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [0,3,0,0,0,0|0,0,0]=3 1422 B13R1.45 CC(=NNC(=O)C1=CC=NC=C1)C S420018 [0,3,0,0,0,0|1,0,0]=4 1423 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,3,0,0,0,0|1,0,0]=4 1424 B13R1.45 CC(=O)N/N=C(\C)/C1=CC=CC=C1 PH009310 [0,3,0,0,0,0|1,0,0]=4 1425 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,3,0,0,0,0|0,0,0]=3 1426 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=N1 R160326 [0,3,0,0,0,0|1,0,0]=4 1427 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 PH007103 [0,3,0,0,0,0|1,0,0]=4 1428 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,3,0,0,0,0|1,0,0]=4 1429 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 S561045 [0,3,0,0,0,0|1,0,0]=4 1430 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [0,3,0,0,0,0|0,0,0]=3 1431 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 VBP00025 [0,3,0,0,0,0|0,0,0]=3 1432 B13R1.45 CN(C)/C=C/C(=O)C1=CC=CN=C1 CBR02127 [0,3,0,0,0,0|1,0,0]=4 1433 B13R1.45 CN(C)/C=C/C(=O)C1=CC=NC=C1 CBR02130 [0,3,0,0,0,0|1,0,0]=4 1434 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 S447862 [0,3,0,0,0,0|0,0,0]=3 1435 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 R156043 [0,3,0,0,0,0|0,0,0]=3 1436 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [0,3,0,0,0,0|0,0,0]=3 1437 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,3,0,0,0,0|0,0,0]=3 1438 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 PH010689 [0,3,0,0,0,0|0,0,0]=3 1439 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [0,3,0,0,0,0|1,0,0]=4 1440 B13R1.45 NC(=S)NNC(=O)C1=CC=CC=C1 S511862 [0,3,0,0,0,0|0,0,1]=4 1441 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,3,0,0,0,0|1,0,0]=4 1442 B13R1.674 C#CCNC(=O)C1=CC=CC=C1I CDS023359 [0,3,0,0,0,0|0,0,0]=3 1443 B13R1.674 C=CCNC(=O)C1=C(N=CC=C1)Cl EME00416 [0,3,0,0,0,0|1,0,0]=4 1444 B13R1.674 C=CCNC(=O)C1=CC=CC=C1Br S880698 [0,3,0,0,0,0|0,0,0]=3 1445 B13R1.674 C=CCNC(=O)C1=CC=CC=C1I T110914 [0,3,0,0,0,0|0,0,0]=3 1446 B13R1.674 C=CCNC(=O)C1=CC=CC=C1O S542830 [0,3,0,0,0,0|0,0,0]=3 1447 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)Cl R331872 [0,3,0,0,0,0|0,0,0]=3 1448 B13R1.674 CCCNC(=O)C1=CC=CC=C1O S580775 [0,3,0,0,0,0|0,0,0]=3 1449 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl T315435 [0,3,0,0,0,0|1,0,0]=4 1450 B13R1.674 CCCNC(=S)C1=CC=CC=C1N PH007405 [0,3,0,0,0,0|0,1,0]=4 1451 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,3,0,0,0,0|1,0,0]=4 1452 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br S697680 [0,3,0,0,0,0|1,0,0]=4 1453 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O CDS001274 [0,3,0,0,0,0|1,0,0]=4 1454 B13R1.201 CN(C)CC(=O)C1=CC=CC=C1O T142050 [0,3,0,0,0,0|0,0,0]=3 1455 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 R468126 [0,3,0,0,0,0|0,0,0]=3 1456 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 S596868 [0,3,0,0,0,0|1,0,0]=4 1457 B13R1.464 CCOC(=O)C1=C(C=CC=C1)OC CDS001205 [0,3,0,0,0,0|1,0,0]=4 1458 B13R1.4453 CCOC(=O)C1=C(C=CC=C1C)O CDS004594 [0,3,0,0,0,0|1,0,0]=4 1459 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)C=O CDS022414 [0,3,0,0,0,0|0,0,0]=3 1460 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)CN CBR02275 [0,3,0,0,0,0|0,0,0]=3 1461 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Br OTV000776 [0,3,0,0,0,0|1,0,0]=4 1462 B13R1.36 COC1=CC=C(C=C1)C(=O)N(C)N PH007735 [0,3,0,0,0,0|0,0,0]=3 1463 B13R1.95 COC(=O)C1=CC=C(C=C1N)OC CDS022292 [0,3,0,0,0,0|1,0,0]=4 1464 B13R1.139 CCC(=O)C1=CC=C(C=C1)N=C=S PH009635 [0,3,0,0,0,0|1,0,0]=4 1465 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN PH010506 [0,3,0,0,0,0|1,0,0]=4 1466 B13R1.139 COC(=O)C1=CC=C(C=C1)NC=O PH006846 [0,3,0,0,0,0|1,0,0]=4 1467 B13R1.139 [N-]=[N+]=NC1=CC=C(C=C1)C(=O)NN CDS018107 [0,3,0,0,0,0|1,0,0]=4 1468 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)NN PH011075 [0,3,0,0,0,0|1,0,0]=4 1469 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [0,3,0,0,0,0|1,0,0]=4 1470 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C ANV00324 [0,3,0,0,0,0|1,0,0]=4 1471 B13R1.537 CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] L259128 [0,3,0,0,0,0|1,0,0]=4 1472 B13R1.537 CNC(=O)C1=CC=C(C=C1)C(=O)O CDS015918 [0,3,0,0,0,0|0,0,0]=3 1473 B13R1.537 CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] R580031 [0,3,0,0,0,0|0,0,0]=3 1474 B13R1.537 COC(=O)C1=CC=C(C=C1)N(C)C PH011777 [0,3,0,0,0,0|1,0,0]=4 1475 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [0,3,0,0,0,0|1,0,0]=4 1476 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [0,3,0,0,0,0|1,0,0]=4 1477 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [0,3,0,0,0,0|1,0,0]=4 1478 B13R1.3088 COC(=O)C1=CC=C(C(=C1)C)CN PH019556 [0,3,0,0,0,0|1,0,0]=4 1479 B13R1.163 CC(C)C(=O)C1=CC=C(C=C1O)O PH003918 [0,3,0,0,0,0|1,0,0]=4 1480 B13R1.163 CN(C)C(=O)C1=CC=C(C=C1Cl)F PH015251 [0,3,0,0,0,0|0,0,0]=3 1481 B13R1.510 CC1=C(C=C(C=C1)C(=O)C(C)Br)C OTV000775 [0,3,0,0,0,0|1,0,0]=4 1482 B13R1.510 CC1=CC=C(C=C1Br)C(=O)N(C)C S100749 [0,3,0,0,0,0|0,0,0]=3 1483 B13R1.510 CN(C)C(=O)C1=CC(=C(N=C1)Cl)Cl EME00403 [0,3,0,0,0,0|1,0,0]=4 1484 B13R1.510 CN(C)C(=O)C1=CC=C(C(=C1)Cl)F PH015228 [0,3,0,0,0,0|0,0,0]=3 1485 B13R1.525 CC(C)(C)C(=O)C1=CC=C(C=C1)N L259349 [0,3,0,0,0,0|1,0,0]=4 1486 B13R1.525 CC1=CC=C(C=C1)C(=O)C(C)(C)C S672416 [0,3,0,0,0,0|1,0,0]=4 1487 B13R1.49 CCC(=O)C1=CC=C(C(=C1)CCl)O S218766 [0,3,0,0,0,0|1,0,0]=4 1488 B13R1.49 CNC(=O)C1=CC(=C(C=C1)O)OC PH001850 [0,3,0,0,0,0|0,0,0]=3 1489 B13R1.49 COC(=O)C1=CC(=C(C=C1)Br)OC CDS022697 [0,3,0,0,0,0|1,0,0]=4 1490 B13R1.49 COC(=O)C1=CC(=C(C=C1)Cl)CCl PH014274 [0,3,0,0,0,0|1,0,0]=4 1491 B13R1.49 COC(=O)C1=CC(=C(C=C1)F)OC KOB0132 [0,3,0,0,0,0|1,0,0]=4 1492 B13R1.49 COC(=O)C1=CC=C(C(=C1)CBr)Cl PH014541 [0,3,0,0,0,0|1,0,0]=4 1493 B13R1.49 COC(=O)C1=CC=C(C(=C1)CCl)C PH017877 [0,3,0,0,0,0|1,0,0]=4 1494 B13R1.49 COC1=C(C=CC(=C1)C(=O)NN)O R258059 [0,3,0,0,0,0|1,0,0]=4 1495 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [0,3,0,0,0,0|1,0,0]=4 1496 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)C)O PH011664 [0,3,0,0,0,0|1,0,0]=4 1497 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [0,3,0,0,0,0|1,0,0]=4 1498 B13R1.1807 CNC(=O)C1=CC(=C(C=C1F)Cl)F PH001890 [0,3,0,0,0,0|0,0,0]=3 1499 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O R156752 [0,3,0,0,0,0|1,0,0]=4 1500 B13R1.1808 CCC(=O)C1=CC=C(C(=C1O)C)O S463744 [0,3,0,0,0,0|1,0,0]=4 1501 B13R1.1808 COC(=O)C1=CC=C(C(=C1C)C)C S53318 [0,3,0,0,0,0|1,0,0]=4 1502 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)N)N ANV00089 [0,3,0,0,0,0|1,0,0]=4 1503 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)I)N)I R157279 [0,3,0,0,0,0|1,0,0]=4 1504 B13R1.2678 NNC(=O)C1=CC(=C(C(=C1)I)O)I PH004539 [0,3,0,0,0,0|1,0,0]=4 1505 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)F VBP00106 [0,3,0,0,0,0|1,0,0]=4 1506 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)C)C PH004672 [0,3,0,0,0,0|1,0,0]=4 1507 B13R1.4656 CCC(=O)C1=C(C=C(C=C1O)O)O CDS021476 [0,3,0,0,0,0|1,0,0]=4 1508 B13R1.4656 COC(=O)C1=C(C=C(C=C1Cl)Cl)Cl PH011192 [0,3,0,0,0,0|1,0,0]=4 1509 B13R1.4656 COC(=O)C1=C(C=C(C=C1O)O)O S443034 [0,3,0,0,0,0|1,0,0]=4 1510 B13R1.82 CCC1=C(C(=CC=C1)C(=O)OC)I S663417 [0,3,0,0,0,0|1,0,0]=4 1511 B13R1.82 COC(=O)C1=C(C(=CC=C1)OC)C KOB0145 [0,3,0,0,0,0|1,0,0]=4 1512 B13R1.82 COC(=O)C1=CC=CC(=C1N)OC CDS023454 [0,3,0,0,0,0|1,0,0]=4 1513 B13R1.107 COC(=O)C1=C(C(=CC=C1)C)OC PH011141 [0,3,0,0,0,0|1,0,0]=4 1514 B13R1.107 COC1=C(C=CC=C1C)C(=O)NN R701270 [0,3,0,0,0,0|1,0,0]=4 1515 B13R1.1822 COC(=O)C1=C(C=CC(=C1N)F)F CDS023768 [0,3,0,0,0,0|1,0,0]=4 1516 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)C)C JRD1481 [0,3,0,0,0,0|1,0,0]=4 1517 B13R1.4789 CCC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010709 [0,3,0,0,0,0|1,0,0]=4 1518 B13R1.4789 COC(=O)C1=C(C(=CC(=C1)Br)Br)O TMT00127 [0,3,0,0,0,0|1,0,0]=4 1519 B13R1.4789 COC(=O)C1=C(C(=CC(=C1)C)N)O PH015506 [0,3,0,0,0,0|1,0,0]=4 1520 B13R1.4789 COC(=O)C1=CC(=CC(=C1C)N)Br CDS022798 [0,3,0,0,0,0|1,0,0]=4 1521 B13R1.642 CN(C)C(=O)C1=CC(=CC=C1)C#N EME00404 [0,3,0,0,0,0|0,0,0]=3 1522 B13R1.3492 CC(C)(Br)C(=O)C1=CC=CC(=C1)F PH014516 [0,3,0,0,0,0|1,0,0]=4 1523 B13R1.2209 COC(=O)C1=CC(=CC=C1OC)N PH011320 [0,3,0,0,0,0|1,0,0]=4 1524 B13R1.2209 COC1=C(C=C(C=C1)Cl)C(=O)NN R746657 [0,3,0,0,0,0|1,0,0]=4 1525 B13R1.2431 CCC(=O)C1=C(C=CC(=C1)CC)O JRD1479 [0,3,0,0,0,0|1,0,0]=4 1526 B13R1.2431 CCC1=CC=C(C(=C1)C(=O)OC)O JRD0887 [0,3,0,0,0,0|1,0,0]=4 1527 B13R1.2431 COC(=O)C1=C(C=CC(=C1)C#N)N CDS021115 [0,3,0,0,0,0|1,0,0]=4 1528 B13R1.374 CCOC1=CC(=CC=C1)C(=O)NN PH011686 [0,3,0,0,0,0|1,0,0]=4 1529 B13R1.374 COC(=O)C1=CC(=CC=C1)CC=O PH018742 [0,3,0,0,0,0|1,0,0]=4 1530 B13R1.543 CNC(=O)C1=CC(=CC=C1)B(O)O CDS005185 [0,3,0,0,0,0|0,0,0]=3 1531 B13R1.543 CNC(=O)C1=CC=CC(=C1)[N+](=O)[O-] PH002586 [0,3,0,0,0,0|0,0,0]=3 1532 B13R1.543 COC(=O)C1=CC=CC(=C1)C(=N)N PH015012 [0,3,0,0,0,0|1,0,0]=4 1533 B13R1.543 COC(=O)C1=CC=CC(=C1)C(=O)N PH014534 [0,3,0,0,0,0|1,0,0]=4 1534 B13R1.543 COC(=O)C1=CC=CC(=C1)N(C)C PH011128 [0,3,0,0,0,0|1,0,0]=4 1535 B13R1.543 NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] R610062 [0,3,0,0,0,0|1,0,0]=4 1536 B13R1.543 NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] S550442 [0,3,0,0,0,0|1,0,0]=4 1537 B13R1.89 COC1=C(C=CC=C1)C(=O)N(C)C EME00399 [0,3,0,0,0,0|0,0,0]=3 1538 B13R1.89 COC1=CC=CC=C1C(=O)C(C)C S108707 [0,3,0,0,0,0|1,0,0]=4 1539 B13R1.276 CC(C)(N)C(=O)C1=CC=CC=C1Cl PH012874 [0,3,0,0,0,0|1,0,0]=4 1540 B13R1.276 CC1=CC=CC=C1C(=O)C(C)(C)C S732737 [0,3,0,0,0,0|1,0,0]=4 1541 B13R1.547 CN(C)C1=C(C=CC=C1)C(=O)NN PH009339 [0,3,0,0,0,0|1,0,0]=4 1542 B13R1.547 COC(=O)C1=CC=CC=C1N(C)C PH011027 [0,3,0,0,0,0|1,0,0]=4 1543 B11R1.25 CCC(=O)/C=C/C1=CC=CN1 L167339 [0,1,1,1,0,0|1,0,0]=4 1544 B11R1.25 COC(=O)/C=C/C1=CC=CS1 PH011225 [0,1,1,1,0,0|1,0,0]=4 1545 B11R1.25 COC(=O)/C=C/C1=CNC=C1 R179809 [0,1,1,1,0,0|1,0,0]=4 1546 B13R2.10 N1N=C(CC1=O)C2=CC=CC=C2 S944661 [0,0,0,1,0,2|1,0,0]=4 1547 B13R2.10 O=C1NN=C(O1)C2=CC=CC=C2 S392367 [0,0,0,1,0,2|1,0,0]=4 1548 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,1,0,2|0,1,0]=4 1549 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,0,0,1,0,2|0,0,0]=3 1550 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,0,0,1,0,2|0,1,0]=4 1551 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,0,0,1,0,2|1,0,0]=4 1552 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,0,0,1,0,2|1,0,0]=4 1553 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,0,0,1,0,2|1,0,0]=4 1554 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,0,0,1,0,2|0,0,0]=3 1555 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 T310360 [0,0,0,1,0,2|1,0,0]=4 1556 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,1,0,1,0,1|0,0,0]=3 1557 B13R2.15 S=C1NCCN1C2=CC=CC=C2 PH007818 [0,1,0,1,0,1|0,1,0]=4 1558 B13R2.26 CCNC1=NC2=CC=CC=C2S1 CDS011335 [0,1,0,1,0,1|0,1,0]=4 1559 B13R2.26 CNCC1=CC2=C(N1)C=CC=C2 CDS001796 [0,1,0,1,0,1|1,0,0]=4 1560 B13R2.64 N1CCN=C1CC2=CC=CC=C2 S734241 [0,1,0,1,0,1|1,0,0]=4 1561 B13R2.135 CCN1C(=NC2=C1C=CC=C2)Cl L202525 [0,1,0,1,0,1|1,0,0]=4 1562 B13R2.135 O=C1NC2=CC=CC=C2N1CO PH007132 [0,1,0,1,0,1|0,0,0]=3 1563 B13R2.135 O=C1SC2=C(N1CCl)C=CC=C2 R587516 [0,1,0,1,0,1|0,0,0]=3 1564 B13R2.135 O=C1SC2=C(N1CO)C=CC=C2 R587532 [0,1,0,1,0,1|0,0,0]=3 1565 B13R2.135 O=C1SC2=CC=CC=C2N1CCl R242918 [0,1,0,1,0,1|0,0,0]=3 1566 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R240605 [0,1,0,1,0,1|0,1,0]=4 1567 B13R2.135 OCN1C(=S)OC2=C1C=CC=C2 R587117 [0,1,0,1,0,1|0,1,0]=4 1568 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R241830 [0,1,0,1,0,1|0,1,0]=4 1569 B13R2.135 OCN1C(=S)SC2=C1C=CC=C2 R587044 [0,1,0,1,0,1|0,1,0]=4 1570 B13R2.135 S=C1SC2=C(N1CCl)C=CC=C2 R587052 [0,1,0,1,0,1|0,1,0]=4 1571 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,1,0,1,0,1|1,0,0]=4 1572 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,1,0,1,0,1|1,0,0]=4 1573 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,1,0,1,0,1|1,0,0]=4 1574 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,1,0,1|1,0,0]=4 1575 B13R2.45 C(=O)C1=C(C2=C(O1)C=CC=C2)C L169501 [0,1,0,1,0,1|1,0,0]=4 1576 B13R2.45 CN1C(=NC2=C1C=CC=C2)C=O PH010767 [0,1,0,1,0,1|0,0,0]=3 1577 B13R2.45 CN1C(=NC2=C1C=CC=C2)CCl T161810 [0,1,0,1,0,1|1,0,0]=4 1578 B13R2.45 CN1C2=CC=CC=C2N=C1CN CDS023403 [0,1,0,1,0,1|1,0,0]=4 1579 B13R2.45 CN1C2=CC=NC=C2N=C1C=O PH017414 [0,1,0,1,0,1|1,0,0]=4 1580 B13R2.45 CN1C2=CC=NC=C2N=C1C=O PH019013 [0,1,0,1,0,1|1,0,0]=4 1581 B13R2.45 CN\1C2=C(C=CC=C2)[Se]/C1=N/N S872962 [0,1,0,1,0,1|1,0,0]=4 1582 B13R2.45 CN\1C2=C(C=CC=C2)[Se]/C1=N/N S873055 [0,1,0,1,0,1|1,0,0]=4 1583 B13R2.3085 CC1=[N+](C2=C(N1C)C=CC=C2)C S30032 [0,1,0,1,0,1|1,0,0]=4 1584 B13R2.3085 CC1C(=N)N(C2=C1C=CC=C2)C R101125 [0,1,0,1,0,1|1,0,0]=4 1585 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,1,0,1,0,1|0,0,0]=3 1586 B13R2.3085 CN1C2=CC=CC=C2C(=C1O)N PH019068 [0,1,0,1,0,1|0,0,1]=4 1587 B13R2.359 CC1(C(=O)CC2=C1C=CC=C2)C PH008000 [0,1,0,1,0,1|1,0,0]=4 1588 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,1,0,1|1,0,0]=4 1589 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,1,0,1,0,1|1,0,0]=4 1590 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,1,0,1|1,0,0]=4 1591 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,1|1,0,0]=4 1592 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,1,0,1,0,1|1,0,0]=4 1593 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,1,0,1,0,1|1,0,0]=4 1594 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,1,0,1,0,1|1,0,0]=4 1595 B13R2.3028 CN1C2=CC(=CC=C2N=C1Cl)Cl PH016051 [0,1,0,1,0,1|1,0,0]=4 1596 B13R2.3028 O=C1CC2=C(N1O)C=C(C=C2)Cl PH008424 [0,1,0,1,0,1|1,0,0]=4 1597 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,1,0,1|1,0,0]=4 1598 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,1,0,1|1,0,0]=4 1599 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,1,0,1|1,0,0]=4 1600 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,1,0,1,0,1|1,0,0]=4 1601 B13R2.3683 O=C1NC2=CC=C(C=C2CO1)Br PHB00124 [0,1,0,1,0,1|1,0,0]=4 1602 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,1,0,1|1,0,0]=4 1603 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,1|1,0,0]=4 1604 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)Cl PH003360 [0,1,0,1,0,1|1,0,0]=4 1605 B13R2.5190 CN1C(=NC2=C1C=CC(=C2)F)Cl PH018763 [0,1,0,1,0,1|1,0,0]=4 1606 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,1,0,1|0,0,0]=3 1607 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,1|0,0,0]=3 1608 B13R2.5190 CN1C2=CC=C(C=C2N=C1Cl)Cl PH018771 [0,1,0,1,0,1|1,0,0]=4 1609 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,1,0,1,0,1|1,0,0]=4 1610 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,1,0,1,0,1|1,0,0]=4 1611 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CDS012430 [0,2,0,1,0,0|1,0,0]=4 1612 B13R2.12159 C[C@H]1NS(=O)(=O)C2=CC=CC=C12 PH016430 [0,2,0,1,0,0|1,0,0]=4 1613 B13R2.1 CCNC1=C2C=CC=CC2=NS1 PH007426 [0,2,0,1,0,0|0,1,0]=4 1614 B13R2.3 C1=CC=C(C=C1)C2=CCNCC2 CDS005086 [0,2,0,1,0,0|1,0,0]=4 1615 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)N CBR00053 [0,2,0,1,0,0|1,0,0]=4 1616 B13R2.2931 CN1C=C(C2=C1C=CC=C2)C#N CBR01489 [0,2,0,1,0,0|1,0,0]=4 1617 B13R2.2931 CN1N=C(C2=CC=CC=C12)CN CDS023609 [0,2,0,1,0,0|1,0,0]=4 1618 B13R2.2931 CN1N=C(C2=CC=CC=C12)CO CDS017183 [0,2,0,1,0,0|0,0,1]=4 1619 B13R2.12 BrC1=CC=C(C=C1)C2=NCCN2 L480665 [0,2,0,1,0,0|1,0,0]=4 1620 B13R2.18 ClC1=C(C=CC=C1)C2=NCCN2 PH008650 [0,2,0,1,0,0|1,0,0]=4 1621 B13R2.18 SC1=CC=CC=C1C2=CCCN2 L163147 [0,2,0,1,0,0|1,0,0]=4 1622 B13R2.72 CN(C)C1=C2C=CC=CC2=NS1 PH007393 [0,2,0,1,0,0|0,1,0]=4 1623 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 MNO000013 [0,2,0,1,0,0|1,0,0]=4 1624 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [0,2,0,1,0,0|0,0,1]=4 1625 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 S372447 [0,2,0,1,0,0|1,0,0]=4 1626 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [0,2,0,1,0,0|1,0,0]=4 1627 B13R2.5187 CN1N=C(C2=CC(=CC=C12)Br)N CDS023144 [0,2,0,1,0,0|1,0,0]=4 1628 B13R2.5187 CN1N=C(C2=CC(=CC=C12)F)N SYX00157 [0,2,0,1,0,0|1,0,0]=4 1629 B13R2.5187 CN1N=C(C2=CC=C(C=C12)F)N SYX00158 [0,2,0,1,0,0|1,0,0]=4 1630 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CDS000148 [0,2,0,1,0,0|0,0,1]=4 1631 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O R464295 [0,2,0,1,0,0|0,0,1]=4 1632 B13R2.342 CC1=CC=CC2=C1OCCC2=O PH014564 [0,2,0,1,0,0|1,0,0]=4 1633 B13R2.342 O=C1CCCC2=C(C=CC=C12)Br PH014623 [0,2,0,1,0,0|1,0,0]=4 1634 B13R2.342 O=C1CCOC2=C1C=CC=C2F PH015252 [0,2,0,1,0,0|1,0,0]=4 1635 B13R2.4857 CC1OC(=O)C2=C1C=CC=C2O S955914 [0,2,0,1,0,0|1,0,0]=4 1636 B13R2.4857 CN1N=C(C2=C(C=CC=C12)F)N SYX00077 [0,2,0,1,0,0|1,0,0]=4 1637 B13R2.4857 CN1N=C(C2=CC=CC(=C12)F)N SYX00159 [0,2,0,1,0,0|1,0,0]=4 1638 B13R2.371 CC1=NNC(=O)C2=CC=CC=C12 S246468 [0,2,0,1,0,0|0,0,0]=3 1639 B13R2.371 CN1CCC(=O)C2=CC=CC=C12 PH003691 [0,2,0,1,0,0|0,0,0]=3 1640 B13R2.371 O=C1NC=C(C2=CC=CC=C12)Br SYX00211 [0,2,0,1,0,0|0,0,1]=4 1641 B13R2.371 O=C1NCC(C2=CC=CC=C12)O PH004949 [0,2,0,1,0,0|0,0,0]=3 1642 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)Cl T160946 [0,2,0,1,0,0|0,0,1]=4 1643 B13R2.371 O=C1NN=C(C2=C1C=CC=C2)[O-] S849197 [0,2,0,1,0,0|0,0,1]=4 1644 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [0,2,0,1,0,0|1,0,0]=4 1645 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [0,2,0,1,0,0|0,0,0]=3 1646 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [0,2,0,1,0,0|0,0,0]=3 1647 B13R2.4818 O=C1CCNC2=CC=CC(=C12)Cl PH002869 [0,2,0,1,0,0|1,0,0]=4 1648 B13R2.4818 O=C1NC=NC2=C1C(=CC=C2)Cl R745960 [0,2,0,1,0,0|0,0,1]=4 1649 B13R2.2130 COC1=CC=C2C(=O)NCC2=C1 CDS009260 [0,2,0,1,0,0|0,0,0]=3 1650 B13R2.5151 CC1=CC=C(C2=C1C(=O)CC2)O S740462 [0,2,0,1,0,0|1,0,0]=4 1651 B13R2.5151 O=C1CCC2=C1C(=CC=C2Cl)O CDS007876 [0,2,0,1,0,0|1,0,0]=4 1652 B13R2.3742 O=C1CCC2=C(C=C(C=C12)F)Cl RNI00131 [0,2,0,1,0,0|1,0,0]=4 1653 B13R2.669 COC1=CC2=C(C=C1)COC2=O S847151 [0,2,0,1,0,0|1,0,0]=4 1654 B13R2.582 CSC1=CC=CC2=C1C(=O)CC2 T285420 [0,2,0,1,0,0|1,0,0]=4 1655 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,0,0,0,0,3|1,0,0]=4 1656 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,0,0,0,0,3|1,0,0]=4 1657 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,0,0,0,0,3|1,0,0]=4 1658 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,0,0,0,0,3|1,0,0]=4 1659 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,0,0,0,0,3|1,0,0]=4