0 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C/C(=N\O)/C1=CN=CC=C1 PH005162 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,0,0|0,1,0]=2 35 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 Cl[C+](Cl)C1=CC=CC=C1 S449571 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.6 OB(O)C1=CC=CC=N1 CDS009263 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|1,0,1]=3 46 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|1,1,0]=3 58 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|1,1,0]=3 59 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|1,1,0]=3 60 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [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|2,0,0]=3 68 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,1,0,0,0,0|0,1,0]=2 69 B11R1.12 CC/C(=N/O)/C1=CC=CC=C1 S799947 [0,1,0,0,0,0|1,0,1]=3 70 B11R1.12 CC/C(=N\O)/C1=CC=CC=C1 PH011544 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.12 N#C/C(=C\O)/C1=CC=CC=C1 PH010982 [0,1,0,0,0,0|0,0,3]=4 77 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [0,1,0,0,0,0|0,0,3]=4 78 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|0,0,2]=3 79 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,0,0,0,0|0,0,1]=2 82 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,1,0,0,0,0|0,1,1]=3 83 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|1,0,0]=2 85 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,0,0,0,0|1,1,1]=4 94 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.22 C/C(=N/O)/C1=CC=C(C=C1)Br PH008404 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)N PH010926 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.22 CN(C=O)C1=CC=C(C=C1)N PH009942 [0,1,0,0,0,0|1,0,2]=4 115 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.22 N#CC(O)C1=CC=C(C=C1)O PH015025 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.22 N/C(=N/O)/C1=CC=C(C=C1)Cl S681636 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,1,0,0,0,0|2,0,0]=3 119 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,1,0,0,0,0|1,0,0]=2 120 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|2,0,1]=4 121 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Br PH008811 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S52877 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)Cl S759082 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.22 O/N=C(/Cl)\C1=CC=C(C=C1)F PH014766 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.22 O/N=C(\Cl)/C1=CC=C(C=C1)Br PH010308 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.23 CCC(O)C1=NC(=CC=C1)N PH018486 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,0,0|0,0,2]=3 145 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,0,0|0,0,2]=3 147 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,0,0|1,0,1]=3 161 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,0,0|1,0,1]=3 162 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,0,0|0,0,0]=1 165 B11R1.222 C/C(=N\O)/C1=C(C=CC=C1)N R739189 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.222 CCN(N)C1=CC=CC=C1C PH012201 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.222 N/C(=N/O)/C1=C(C=CC=C1)O BOG00050 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,1,0,0,0,0|2,0,0]=3 171 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|1,0,2]=4 172 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 173 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|1,0,1]=3 174 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,1,0,0|1,1,1]=4 175 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|2,0,1]=4 176 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|2,0,1]=4 177 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|1,0,0]=2 178 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,0,0,1,0,0|2,0,0]=3 179 B11R2.40 NC1(CC1)C2=CC=CN=C2 PH017220 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.40 NC1(CC1)C2=CC=NC=C2 PH018491 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.239 C1=CC(=NN=C1)C2CNC2 PH019031 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|2,0,0]=3 184 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,0,0,1,0,0|2,0,0]=3 185 B11R2.239 C1=CN=C(N=C1)C2CNC2 PH018956 [0,0,0,1,0,0|3,0,0]=4 186 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,0,0,1,0,0|2,0,0]=3 187 B11R2.239 C1=NC=C(C=N1)C2CNC2 PH019030 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,0,0,0,1,0|2,0,1]=4 189 B9R1.11 C/C(=N\O)/C1=CC=CN1 L166960 [0,0,0,0,1,0|2,0,1]=4 190 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,0,0,0,1,0|2,0,0]=3 191 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,0,0,0,1,0|3,0,0]=4 192 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,0,0,0,1,0|3,0,0]=4 193 B9R1.11 OC[C@H](O)C1=COC=C1 T279072 [0,0,0,0,1,0|2,0,0]=3 194 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,0,0,0,0,1|2,0,0]=3 195 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,0,1|2,0,1]=4 196 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,0,1|1,0,0]=2 197 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,0,1|2,0,0]=3 198 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,0,0,0,0,1|2,0,1]=4 199 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,0,0,0,0,1|3,0,0]=4 200 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,0,1|2,0,1]=4 201 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,0,0,0,1|2,0,1]=4 202 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,0,0,0,1|2,0,1]=4 203 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,0,1|2,0,1]=4 204 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,0,1|2,0,1]=4 205 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,0,1|2,0,1]=4 206 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,0,0,0,0,1|2,0,0]=3 207 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,0,0,0,0,1|3,0,0]=4 208 B8R0.7 C(=C/C=C/C(C)C)\CO T265454 [1,0,1,0,0,0|1,0,1]=4 209 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 C1(C=CCC=C1)CO T175528 [2,0,0,0,0,0|0,0,2]=4 211 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 212 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 213 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 214 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,1]=4 218 B8R1.2 OCC1=CC=CN=N1 CDS015970 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [1,1,0,0,0,0|0,0,2]=4 221 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [1,1,0,0,0,0|0,0,0]=2 223 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.13 CN(C)C1=NC=C(C=C1)Br SYX00280 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [1,1,0,0,0,0|0,0,0]=2 229 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [1,1,0,0,0,0|1,0,0]=3 230 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.28 C[Te](Br)(Br)C1=CC=CC=C1 S14827 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|0,0,2]=4 237 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|0,0,0]=2 238 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|1,0,0]=3 240 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|0,0,0]=2 241 B10R1.61 CC(O)C1=CC=CC=[N+]1C S236144 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.61 FC1=C(C=CC=C1)C(F)F MNO000027 [1,1,0,0,0,0|2,0,0]=4 248 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.113 BrC1=CC(=CC=C1)C(Br)Br S600709 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.113 C=C(C)C1=CC(=CC=C1)C PH015479 [1,1,0,0,0,0|0,0,2]=4 253 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [1,1,0,0,0,0|0,0,0]=2 254 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [1,1,0,0,0,0|0,0,0]=2 255 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.113 CC(O)C1=CC=CC(=N1)N PH018818 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.113 CC(O)C1=C[N+](=CC=C1)[O-] S668419 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.113 CC1=CC=CC(=C1)N(C)N PH012296 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.113 CN(C)C1=CC=CC(=N1)Br CDS004323 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.113 CN(N)C1=CC=CC(=C1)Br PH012297 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.113 FC1=CC=CC(=C1)C(F)F MNO000026 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.113 NC1=CC(=CC=C1)C(F)F MNO000180 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|2,0,0]=4 276 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|2,0,0]=4 277 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.1 O/N=C/C1=CC=C(C=C1)I S907146 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.1 ON=CC1=CC=C(C=C1)Cl S520594 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|2,0,0]=4 297 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.4 NCCN1C=CC=CC1=O PH019084 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.4 NCCN1C=CC=CC1=O T300829 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|0,0,2]=4 304 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.10 NC1=CC(=CC=C1)C=NO PH009193 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 316 B10R1.10 O/N=C/C1=CC=CC(=C1)I S907049 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.10 O/N=C\C1=CC(=CC=C1)Cl L169935 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|0,0,2]=4 319 B10R1.10 ON=CC1=CC=CC(=C1)F S550558 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,1,0,0,0,0|0,0,2]=4 325 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,1,0,0,0,0|1,1,0]=4 332 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|1,0,1]=4 346 B10R1.9 COC(CN)C1=CC=CS1 CBR01293 [0,1,0,0,1,0|2,0,0]=4 347 B12R1.32 C/C(=C\C1=CC=CC=C1)/C=N/O S626856 [0,1,0,0,0,1|0,0,2]=4 348 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,1,0,0,0,1|2,0,0]=4 349 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,1,0,0,0,1|2,0,0]=4 350 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,1,0,0,0,1|1,0,0]=3 351 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,1,0,0,0,1|1,0,0]=3 352 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,1,0,0,0,1|2,0,0]=4 353 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,1,0,0,0,1|2,0,0]=4 354 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [0,1,0,0,0,1|1,0,1]=4 355 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [0,1,0,0,0,1|1,0,0]=3 356 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,1,0,0,0,1|2,0,0]=4 357 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,1,0,0,0,1|2,0,0]=4 358 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,1,0,0,0,1|2,0,0]=4 359 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,1,0,0,0,1|2,0,0]=4 360 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,1,0,0,0,1|2,0,0]=4 361 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [0,1,0,0,0,1|1,0,0]=3 362 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [0,1,0,0,0,1|1,0,0]=3 363 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [0,1,0,0,0,1|1,0,0]=3 364 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [0,1,0,0,0,1|1,0,0]=3 365 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,1|0,0,2]=4 366 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,1|0,0,2]=4 367 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,1|0,0,2]=4 368 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,1|0,0,1]=3 369 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,1,0,0,0,1|1,0,1]=4 370 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,1|1,0,1]=4 371 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,1|1,0,1]=4 372 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,1,0,0,0,1|2,0,0]=4 373 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,1|2,0,0]=4 374 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO OTV000598 [0,1,0,0,0,1|1,0,1]=4 375 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [0,1,0,0,0,1|2,0,0]=4 376 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,1,0,0,0,1|0,0,0]=2 377 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [0,1,0,0,0,1|2,0,0]=4 378 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [0,1,0,0,0,1|1,0,1]=4 379 B12R1.194 CC(C)(C#N)SC1=CC=CC=C1 S919322 [0,1,0,0,0,1|1,0,1]=4 380 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [0,1,0,0,0,1|1,0,0]=3 381 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,1,0,0,0,1|0,0,0]=2 382 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,1,0,0,0,1|1,0,0]=3 383 B12R1.9 CC(C)(CN)C1=CC=C(C=C1)Cl OTV000618 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.9 CC1=CC=C(C=C1)C(C)(C)CBr T332704 [0,2,0,0,0,0|1,0,0]=3 385 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)CO PH009052 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.9 CC[Te](C)(I)C1=CC=C(C=C1)C S201103 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [0,2,0,0,0,0|1,0,0]=3 389 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.39 C=CC[Si](C)(C)C1=CC=CC=C1 T274232 [0,2,0,0,0,0|1,1,0]=4 391 B12R1.39 CC(C)(CC#N)C1=CC=CC=C1 PH001293 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.39 CC(C)(C[Hg]Cl)C1=CC=CC=C1 S882038 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,2,0,0,0,0|0,0,2]=4 397 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,2,0,0,0,0|0,0,2]=4 398 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,2,0,0,0,0|0,0,2]=4 399 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,2,0,0,0,0|0,0,1]=3 400 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,2,0,0,0,0|0,0,1]=3 401 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,2,0,0,0,0|0,0,2]=4 402 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,2,0,0,0,0|0,0,1]=3 403 B12R1.475 CC(CCl)(CBr)[N+]1=CC=CC=C1 L497762 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.475 CCC(C)(C#N)C1=CC=CC=C1 S490571 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S494623 [0,2,0,0,0,0|0,0,0]=2 406 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S495034 [0,2,0,0,0,0|0,0,0]=2 407 B12R1.475 CCC(C)(NN)C1=CC=CC=C1 S859311 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [0,2,0,0,0,0|0,0,0]=2 410 B12R1.3 CC[C@@H](N=C=O)C1=CC=CC=C1 CDS001187 [0,2,0,0,0,0|0,0,2]=4 411 B12R1.3 CNC(COC)C1=NC=CC=C1 CBR01327 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [0,2,0,0,0,0|0,0,0]=2 414 B12R1.12 CC/C(=N\O)/C1=CC=C(C=C1)Cl PH007820 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.12 CCN(CC)C1=CC=C(C=C1)N S341010 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.12 CCN(CC)C1=CC=C(C=C1)N S637432 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.13 CNC(C#N)C1=CC(=CC=C1)Cl L479241 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.13 COC(OC)C1=CC=CC(=C1)N PH002938 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.243 CC/C(=N\O)/C1=C(C=CC=C1)O PH004373 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [0,2,0,0,0,0|0,0,0]=2 421 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [0,2,0,0,0,0|0,0,0]=2 422 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [0,2,0,0,0,0|0,0,0]=2 423 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [0,2,0,0,0,0|0,0,0]=2 424 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.478 CC(C)/C(=N\O)/C1=CC=CC=C1 PH010705 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.478 CC(C)C(C#N)C1=CC=CC=C1 S380946 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [0,2,0,0,0,0|0,0,2]=4 428 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [0,2,0,0,0,0|0,0,2]=4 429 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [0,2,0,0,0,0|0,0,2]=4 430 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [0,2,0,0,0,0|0,0,2]=4 431 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [0,2,0,0,0,0|0,0,2]=4 433 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [0,2,0,0,0,0|0,0,2]=4 434 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [0,2,0,0,0,0|0,0,2]=4 435 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.16 C[C@@H](N=C=O)C1=CC=C(C=C1)F CDS019968 [0,2,0,0,0,0|0,0,2]=4 442 B12R1.16 C[C@H](N=C=O)C1=CC=C(C=C1)F CDS019969 [0,2,0,0,0,0|0,0,2]=4 443 B12R1.16 O=S(CCO)C1=CC=C(C=C1)Cl T252719 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.17 C=CCC(N)C1=CC=CC(=C1)Cl PH015654 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,2,0,0,0,0|0,0,0]=2 450 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.30 OCC#CC(O)C1=CC=CC=C1 PH007064 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,2,0,0,0,0|0,0,2]=4 456 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.308 C=CCC(N)C1=C(C=CC=C1)Cl PH014964 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.5 CCN(C)C1=CC=C(C=C1)C=O CDS023138 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [0,2,0,0,0,0|0,0,1]=3 472 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.367 CCC(C)C1=CC=C(C(=C1)Br)O PH010070 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.367 CCC(C)C1=CC=C(C(=C1)N)O S626791 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.1703 C/C(=N\O)/C1=C(C=C(C=C1)O)O R395218 [0,2,0,0,0,0|1,0,1]=4 479 B12R1.1703 CC1=CC(=C(C=C1)/C(=N/O)/C)O L497398 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.1703 NC(CO)C1=CC=C(C=C1F)F PH018503 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.1703 OC(CCl)C1=CC=C(C=C1Cl)Cl R426784 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.225 CC(C1=CC=CC(=C1)O)N(C)C CDS006914 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [0,2,0,0,0,0|1,0,1]=4 484 B12R1.225 OC(C1=CC=CC(=C1)Cl)C(Cl)Cl S407143 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.358 NC(CO)C1=CC(=CC(=C1)Cl)Cl CDS009002 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.435 CNC(C)C1=CC(=CC=C1)OC CBR01308 [0,2,0,0,0,0|2,0,0]=4 487 B12R1.435 COC1=CC(=CC=C1)/C(=N/O)/C PH010759 [0,2,0,0,0,0|1,0,1]=4 488 B12R1.435 COC1=CC=CC(=C1)C(Br)CBr PH006231 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [0,2,0,0,0,0|0,0,1]=3 490 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [0,2,0,0,0,0|0,0,1]=3 491 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F CVT00059 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.564 NC(C1=CC=CC=C1)C(F)(F)F MNO000085 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O PH011415 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.564 NC(C1=CC=CC=C1)S(=O)(=O)O PH008647 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.564 O=P(O)(O)C(O)C1=CC=CC=C1 PH010920 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC CDS015715 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.77 COC1=CC=CC=C1/C(=N\O)/C S681385 [0,2,0,0,0,0|1,0,1]=4 501 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,0,1,1,0,0|0,0,2]=4 502 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,2]=4 503 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,1,0]=4 504 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|1,0,0]=3 505 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,0,0,1,0,1|2,0,0]=4 506 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [0,0,0,1,0,1|2,0,0]=4 507 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,0,0,1,0,1|1,0,1]=4 508 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,1|0,1,1]=4 509 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,1,0,1|1,0,0]=3 510 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,1,0,1|1,0,0]=3 511 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,1,0,1|1,0,0]=3 512 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,1|1,0,1]=4 513 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,0,1|2,0,0]=4 514 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,0,0,1,0,1|2,0,0]=4 515 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,1|1,0,1]=4 516 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,0,0,1,0,1|1,0,1]=4 517 B12R2.32 BrCC1C[N+]2=C(N1)C=CC=C2 R665673 [0,0,0,1,0,1|2,0,0]=4 518 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,0,0,1,0,1|2,0,0]=4 519 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [0,0,0,1,0,1|2,0,0]=4 520 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [0,0,0,1,0,1|2,0,0]=4 521 B12R2.32 OCC1=NC2=C(S1)C=CC=C2 CDS006337 [0,0,0,1,0,1|1,0,1]=4 522 B12R2.48 N#CC1(CC1)C2=CC=CC=C2 PH000032 [0,1,0,1,0,0|1,0,1]=4 523 B12R2.48 NCC1(CC1)C2=CC=CC=C2 CDS007962 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.1 NNC1CCC2=CC=CC=C12 PH019558 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.1 OCC1=CSC2=C1C=CC=C2 PH014781 [0,1,0,1,0,0|0,0,2]=4 527 B12R2.2 C1=CC(=CC=N1)C2CCCN2 CDS006470 [0,1,0,1,0,0|2,0,0]=4 528 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [0,1,0,1,0,0|1,0,0]=3 530 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [0,1,0,1,0,0|1,0,0]=3 531 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [0,1,0,1,0,0|1,0,0]=3 534 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|1,0,1]=4 536 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|0,0,2]=4 538 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [0,1,0,1,0,0|2,0,0]=4 539 B12R2.290 CC1=CC=C(C=C1)C2(CC2)N CBR00914 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Br CDS022491 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.290 NC1(CC1)C2=CC=C(C=C2)Cl OTV000620 [0,1,0,1,0,0|2,0,0]=4 542 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F OTV000627 [0,1,0,1,0,0|2,0,0]=4 543 B12R2.290 NC1(CC1)C2=CC=C(C=C2)F TMT00304 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,1,0,0|2,0,0]=4 545 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,1,0,0|1,0,1]=4 546 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,1,0,1,0,0|1,0,0]=3 547 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|1,0,1]=4 548 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.1282 CC1=CC=CC(=C1)C2(CC2)N CDS009085 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.1282 NC1(CC1)C2=CC=CC(=C2)Cl CBR00915 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [0,1,0,1,0,0|1,0,0]=3 552 B12R2.2313 NC1=CC(=CC=N1)C2CCC2 CDS019075 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [0,1,0,1,0,0|1,0,0]=3 554 B12R2.88 CC1=CC=CC=C1C2(CC2)N CBR00919 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.88 NC1(CC1)C2=CC=CC=C2Cl CBR00918 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.7 CC(C)C1=CNN=C1 CBR01677 [1,0,0,0,1,0|2,0,0]=4 557 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [1,0,0,0,1,0|2,0,0]=4 558 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [1,0,0,0,1,0|2,0,0]=4 559 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [1,0,0,0,1,0|2,0,0]=4 560 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,0,1,0|2,0,0]=4 561 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,0,0,0,1,0|2,0,0]=4 562 B8R1.8 OCCN1C=CC=C1 CDS000018 [1,0,0,0,1,0|1,0,0]=3 563 B8R1.8 OCCN1C=CC=N1 CDS004224 [1,0,0,0,1,0|2,0,0]=4 564 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,0,0,0,0,2|1,0,1]=4 565 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,0,0,0,0,2|1,0,1]=4 566 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [0,0,0,0,0,2|1,0,1]=4 567 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,0,0,0,0,2|2,0,0]=4 568 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [0,0,0,0,0,2|2,0,0]=4 569 B12R1.27 OCC(O)COC1=CN=CC=C1 PH008942 [0,0,0,0,0,2|2,0,0]=4 570 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [0,0,0,0,0,2|1,0,0]=3