0 B6R0.2 C=C(C)CC(C)C R289256 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CC(=CB(O)O)C CDS007838 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 CC(=CC(C)C)C R289302 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 CC(=CN(C)C)C S365297 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 CC(=N)CC(=O)C S366234 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(=O)NC(C)C S378992 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CC(=S)CC(=O)N S704164 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(C)CC(=O)[O-] S693154 [0,0,0,0,0,0|0,0,3]=3 9 B6R0.2 CC(C)OC(=S)N PH008713 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.2 CC(Cl)CC(=O)O S419621 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.2 CN(C)CC(=O)Cl CDS013657 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.2 N=C(N)NC(=O)N S414786 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.2 N=C(N)NC(=O)N S414980 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.2 NC(=O)CC(=O)O S937436 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.2 O=C([O-])C=[N+]([O-])[O-] L160970 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(=O)/C=C\N S312274 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.1 CN(C)CCO S573124 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CNCC(=O)C CBR02406 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 COCC(=O)N S371874 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CONC(=O)N S802999 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 O=C(O)/C=C/Cl R426903 [1,0,0,0,0,0|1,0,0]=2 27 B5R0.1 O=C(O)/C=C\I PH010791 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 O=C([O-])/C=C\Cl T234753 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.2 C=C(CO)CC(C)C T296279 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.2 CC(C)CC(=O)C#N R260371 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.2 CC(C)OC(=O)CS S593931 [0,1,0,0,0,0|1,1,1]=4 33 B7R0.2 CC(C)OC(=O)NF PH009513 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.2 CCC(C)CC(=O)Cl PH016167 [0,1,0,0,0,0|1,0,2]=4 36 B7R0.2 CCC(N)CC(=O)O CDS006113 [0,1,0,0,0,0|1,0,2]=4 37 B7R0.2 CC[C@H](C)CC(=O)O CDS005352 [0,1,0,0,0,0|0,0,2]=3 38 B7R0.2 CN(C)CC(=O)NN CDS000357 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.2 CNC(=O)NC(=O)C S411868 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 CNC(C)CC(=O)N CBR01535 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,1,0,0,0,0|1,0,1]=3 44 B7R0.2 COC(=O)CC(C)Cl S559458 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.2 COC(=O)NC(=O)N S876178 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.2 COC(=O)NC(C)C PH006940 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 N[C@H](CO)CC(=O)O CDS007412 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.9 C/C(=C\S(=O)(=O)C)/I S779059 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.9 CC(C)NS(=O)(=O)O PH009579 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.9 CS(=O)(=O)CC(=O)O CDS014245 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.16 CC(=O)N(C)C(=O)C S511196 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.16 CC(Br)C(Br)C(=O)O S706906 [0,1,0,0,0,0|1,0,2]=4 57 B7R0.16 CC(O)C(=O)N(C)C CDS021721 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.16 CC(O)C(Cl)C(=O)O PH007142 [0,1,0,0,0,0|1,0,2]=4 59 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.16 NC(=O)C(=C(Cl)Cl)Cl PH002333 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl S893994 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.16 O=C(O)C(Br)C(=O)O PH003362 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.16 [C@H](N)(C(=O)N)C(C)C S777749 [0,1,0,0,0,0|1,0,2]=4 64 B7R1.2 BrC1=COC(=C1)Br T266507 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.2 CC1=NOC(=N1)C PH016136 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.2 CC1COC(=O)C1 PH007953 [0,0,0,1,0,0|0,0,2]=3 69 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,1,0,0|1,0,1]=3 70 B7R1.2 CC1COS(=O)O1 S409928 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,1,0,0|1,0,1]=3 72 B7R1.2 NC1=CC(=NO1)N CBR01619 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.2 O=C1CC(CO1)O S672874 [0,0,0,1,0,0|1,0,2]=4 77 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,0,0,1,0,0|1,0,2]=4 78 B7R1.12 CC1CC1C(=O)N EME00444 [0,0,0,1,0,0|1,0,2]=4 79 B7R1.20 CC(=O)CC1CC1 PH014420 [0,0,0,1,0,0|1,0,2]=4 80 B7R1.20 O=C(O)CC1CC1 CDS000888 [0,0,0,1,0,0|0,0,2]=3 81 B5R0.5 C=C(C)C(=O)C CDS000556 [0,0,0,0,1,0|1,0,1]=3 82 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,0,0,0,1,0|0,0,2]=3 83 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,0,0,0,1,0|0,0,2]=3 84 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,0,0,0,1,0|0,0,2]=3 85 B5R0.5 C=C(C)C(C)O T277479 [0,0,0,0,1,0|1,0,2]=4 86 B5R0.5 CC(=O)C(C)F CDS002853 [0,0,0,0,1,0|2,0,1]=4 87 B5R0.5 CC(=S)N(C)C S622877 [0,0,0,0,1,0|2,1,0]=4 88 B5R0.5 CC(C)C(=N)N CDS015019 [0,0,0,0,1,0|2,0,1]=4 89 B5R0.5 CC(C)C(=S)N PH006913 [0,0,0,0,1,0|1,1,1]=4 90 B5R0.5 CC(O)C(=O)[O-] S933260 [0,0,0,0,1,0|1,0,2]=4 91 B5R0.5 O=C(O)C(=O)O S647829 [0,0,0,0,1,0|2,0,0]=3 92 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [0,0,0,0,0,1|3,0,0]=4 93 B7R0.6 C=C(C)COC(=O)N S352055 [0,0,0,0,0,1|1,0,2]=4 94 B7R0.6 CC(=NNC(=O)N)C S449784 [0,0,0,0,0,1|2,0,0]=3 95 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [0,0,0,0,0,1|0,0,1]=2 96 B7R0.6 CC(C)CCC(=O)Cl PH015411 [0,0,0,0,0,1|1,0,2]=4 97 B7R0.6 CC(C)COC(=O)N S362840 [0,0,0,0,0,1|1,0,2]=4 98 B7R0.6 CC(C)SCC(=O)O OTV000315 [0,0,0,0,0,1|0,0,2]=3 99 B7R0.6 CN(C)CCC(=O)O CDS000423 [0,0,0,0,0,1|1,0,1]=3 100 B7R0.6 CN(C)CCC(=O)O CDS013778 [0,0,0,0,0,1|1,0,1]=3 101 B7R0.6 C[S+](C)CCC(=O)O CDS000190 [0,0,0,0,0,1|1,0,1]=3 102 B7R0.6 NC(=O)NCC(=O)O L100056 [0,0,0,0,0,1|2,0,1]=4 103 B7R0.6 NC(=S)NCC(=O)O S521191 [0,0,0,0,0,1|2,0,1]=4 104 B7R0.6 O=C(O)CCC(=O)O S427594 [0,0,0,0,0,1|2,0,1]=4 105 B4R0.1 C(=O)C(=O)[O-] S573140 [2,0,0,0,0,0|1,0,1]=4 106 B4R0.1 CCC(=O)[O-] CDS000543 [2,0,0,0,0,0|0,0,2]=4 107 B4R0.1 CNC(=O)Cl CDS009330 [2,0,0,0,0,0|2,0,0]=4 108 B4R0.1 CSC(=O)C CDS001513 [2,0,0,0,0,0|2,0,0]=4 109 B4R0.1 O=C(O)CS CDS000504 [2,0,0,0,0,0|1,0,1]=4 110 B4R0.2 OC/C=C/Br S880973 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.1 C(=O)CC(C)OC T278319 [1,1,0,0,0,0|0,0,2]=4 112 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,1,0,0,0,0|1,0,1]=4 113 B6R0.1 C/C=C\C(C)CC R289485 [1,1,0,0,0,0|1,0,1]=4 114 B6R0.1 CC/C=C(\C)/CC R289574 [1,1,0,0,0,0|1,0,1]=4 115 B6R0.1 CC/C=C(\C)/CC R289582 [1,1,0,0,0,0|1,0,1]=4 116 B6R0.1 CC/C=C(\C)/CO S888702 [1,1,0,0,0,0|1,0,1]=4 117 B6R0.1 CCC(C)NC=O S620394 [1,1,0,0,0,0|1,0,1]=4 118 B6R0.1 CNCC(=O)OC PH006931 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.1 COC(=O)/C=C\I SYX00331 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.1 [Li]OC(=O)CCC S813958 [1,1,0,0,0,0|0,0,2]=4 121 B6R0.3 C(=O)C(=C(Cl)Cl)Cl S893986 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [1,1,0,0,0,0|1,0,0]=3 123 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [1,1,0,0,0,0|0,0,0]=2 124 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.3 CC(C)/C(=N\O)/N MNO000140 [1,1,0,0,0,0|1,0,1]=4 127 B6R0.3 CCC(O)C(=O)O CDS000492 [1,1,0,0,0,0|0,0,2]=4 128 B6R0.3 CN(C)C(=O)CO CDS023758 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [1,1,0,0,0,0|1,0,1]=4 130 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [1,1,0,0,0,0|2,0,0]=4 131 B6R0.4 C#C/C=C/C(C)C T269360 [1,1,0,0,0,0|1,0,1]=4 132 B6R0.4 CC/C=C/C(=O)Cl PH009861 [1,1,0,0,0,0|1,0,0]=3 133 B6R0.4 CCCC=C(C)C S419117 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.4 CNCCC(=O)O CDS013939 [1,1,0,0,0,0|0,0,2]=4 135 B6R0.4 CO/N=C/C(=O)O CDS023875 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.4 O=C(O)CCCS CDS004545 [1,1,0,0,0,0|0,0,2]=4 137 B6R0.5 C(=C\C(C)(C)C)\C S411922 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.5 C(=C\C(C)(C)C)\C S437441 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.5 CC(C)(C)/C=N/O PH009800 [1,1,0,0,0,0|1,0,1]=4 140 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [0,1,0,0,1,0|1,0,1]=4 141 B6R0.7 CC(=O)C(C)(C)Cl S304212 [0,1,0,0,1,0|1,0,1]=4 142 B6R0.7 CC(C)(N)C(=O)N CBR00900 [0,1,0,0,1,0|1,0,1]=4 143 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [0,1,0,0,1,0|0,0,2]=4 144 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,1,0,0,0,1|1,0,0]=3 145 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,1,0,0,0,1|1,0,0]=3 146 B8R0.9 CC(=NO)CCC(=O)O S354201 [0,1,0,0,0,1|1,0,1]=4 147 B8R0.9 CCC(=O)CCC(=O)O S574090 [0,1,0,0,0,1|1,0,1]=4 148 B8R0.9 COC(=O)CNC(=O)C S785687 [0,1,0,0,0,1|1,0,1]=4 149 B8R0.9 COC(=O)NCC(=O)O CDS020780 [0,1,0,0,0,1|1,0,1]=4 150 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,1,0,0,0,1|1,0,1]=4 151 B8R0.9 O=C(O)CNC(=O)CCl S451770 [0,1,0,0,0,1|1,0,1]=4 152 B8R0.23 C(=C(/Br)\C(=O)O)\C(=O)O S455768 [0,1,0,0,0,1|2,0,0]=4 153 B8R0.23 C/C(=C\C(C)C)/C(=O)O CDS001260 [0,1,0,0,0,1|0,0,1]=3 154 B8R0.23 CC(=O)/C(=C/C(=O)O)/C S548960 [0,1,0,0,0,1|1,0,0]=3 155 B8R0.23 CC(=O)C(C)CC(=O)O CDS000200 [0,1,0,0,0,1|1,0,1]=4 156 B8R0.23 CC(=O)CC(=O)C(C)C CBR01575 [0,1,0,0,0,1|1,0,1]=4 157 B8R0.23 CC(=O)NC(C)C(=O)O S783099 [0,1,0,0,0,1|1,0,1]=4 158 B8R0.23 CC(C)C[C@@H](O)C(=O)O CDS006369 [0,1,0,0,0,1|0,0,2]=4 159 B8R0.23 CC(C)NC(C)C(=O)O PH010417 [0,1,0,0,0,1|0,0,2]=4 160 B8R0.23 CC(C)OC(C)C(=O)O CBR00291 [0,1,0,0,0,1|0,0,2]=4 161 B8R0.23 CC(C)[C@@H](N)CC(=O)O CDS005723 [0,1,0,0,0,1|0,0,2]=4 162 B8R0.23 CC(C)[C@H](N)CC(=O)O CDS005722 [0,1,0,0,0,1|0,0,2]=4 163 B8R0.23 CC(CC(=O)O)N(C)C CBR00883 [0,1,0,0,0,1|1,0,1]=4 164 B8R0.23 CC(CN(C)C)C(=O)O CBR01551 [0,1,0,0,0,1|1,0,1]=4 165 B8R0.23 CN(C)C(=O)CC(=O)O CDS022231 [0,1,0,0,0,1|1,0,0]=3 166 B8R0.23 O=C(O)/C=C(\Cl)/C(=O)O S864625 [0,1,0,0,0,1|2,0,0]=4 167 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [0,1,0,0,0,1|0,0,2]=4 168 B8R0.29 CC(C)(C)OCC(=O)O CDS002729 [0,1,0,0,0,1|0,0,2]=4 169 B8R0.29 CC(C)(N)CCC(=O)O T160458 [0,1,0,0,0,1|0,0,2]=4 170 B8R0.29 CC(C)(O)C#CC(=O)O CBR01106 [0,1,0,0,0,1|0,0,2]=4 171 B8R0.2 C(=O)/C(=C(\Br)/C(=O)O)/Br R462586 [0,2,0,0,0,0|1,0,1]=4 172 B8R0.2 C(=O)/C(=C(\Br)/C(=O)O)/Cl R735744 [0,2,0,0,0,0|1,0,1]=4 173 B8R0.2 CCC(C)C(=O)C(=O)O CDS000039 [0,2,0,0,0,0|0,0,1]=3 174 B8R0.2 CCC(C)C(Br)C(=O)O S705551 [0,2,0,0,0,0|0,0,2]=4 175 B8R0.2 CCC(C)[C@H](Cl)C(=O)O PH002956 [0,2,0,0,0,0|0,0,2]=4 176 B8R0.2 COC(=O)C(=O)C(C)Br SYX00008 [0,2,0,0,0,0|1,0,1]=4 177 B8R0.2 COC(=O)C(O)C(C)C CDS021214 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.5 CC/C=C(\C)/C=C(C)C T181536 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.5 CCO/C(=C/C(=O)O)/C S885061 [0,2,0,0,0,0|0,0,0]=2 180 B8R0.5 CCOC(=O)CC(=O)C S813079 [0,2,0,0,0,0|1,0,1]=4 181 B8R0.5 CCOC(=O)NC(=O)C S357308 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.5 CCOC(=O)NC(C)C PH000346 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.16 CCN(CC)CC(=O)O PH011958 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.19 CN/C(=C\C(=O)OC)/C CVT00049 [0,2,0,0,0,0|0,0,0]=2 185 B8R0.19 COC(=O)/C=C(\C)/OC SYX00052 [0,2,0,0,0,0|0,0,0]=2 186 B8R0.19 COC(=O)NC(=O)CCl PH010166 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.27 C=C(C(=O)C)[Si](C)(C)C T227439 [0,2,0,0,0,0|1,1,0]=4 189 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,2,0,0,0,0|0,0,1]=3 190 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|0,0,2]=4 191 B8R0.18 CC(=C(C#N)C(=O)O)C S112283 [0,2,0,0,0,0|0,0,0]=2 192 B8R0.18 CC(=O)/C(=N\O)/C(C)C PH009501 [0,2,0,0,0,0|1,0,1]=4 193 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,1,0,0|1,0,1]=4 194 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,1,0,0|2,0,0]=4 195 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,1,0,0|2,0,0]=4 196 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,1,0,0|0,0,1]=3 197 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,1,1,0|1,0,1]=4 199 B6R1.4 O=C1CCC1=O S869309 [0,0,0,1,1,0|2,0,0]=4 200 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,0,0,1,0,1|1,0,1]=4 201 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,0,0,1,0,1|1,0,1]=4 202 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,0,0,1,0,1|2,0,0]=4 203 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,1,0,1|2,0,0]=4 204 B8R1.23 O=C1CC(C1)C(=O)O CDS004694 [0,0,0,1,0,1|1,0,1]=4 205 B8R1.35 O=C(O)/C=C\C1CC1 PH008009 [0,0,0,1,0,1|0,0,1]=3 206 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,0,0,1,0,1|0,0,2]=4 207 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,0,0,1,0,1|0,0,2]=4 208 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,0,0,1,0,1|0,0,2]=4 209 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.1 CC1=NOC(=C1)C#N CBR00067 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.1 CC1=NOC(=C1)C=O CDS014208 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.1 CCC1COC(=O)N1 CBR02121 [0,1,0,1,0,0|1,0,1]=4 215 B8R1.1 O=C1OCC(O1)CCl S416657 [0,1,0,1,0,0|1,0,1]=4 216 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,1,0,1,0,0|1,0,1]=4 217 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,1,0,1,0,0|1,0,1]=4 218 B8R1.4 NC1=CC(=O)CCC1 S897639 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,1,0,0|1,0,1]=4 223 B8R1.18 C[C@H]1CC(=O)O[C@H]1C T261912 [0,1,0,1,0,0|0,0,2]=4 224 B8R1.34 O=C(O)C=C1CCC1 T165123 [0,1,0,1,0,0|0,0,0]=2 225 B8R1.34 O=C(O)CC1CNC1 PHB00031 [0,1,0,1,0,0|0,0,2]=4 226 B8R1.43 O=C(O)[C@H]1C[C@@H]1CBr PH016790 [0,1,0,1,0,0|0,0,2]=4 227 B8R1.83 COC(=O)C1CC1C EME00059 [0,1,0,1,0,0|0,0,2]=4 228 B8R1.50 CC1=NOC(=O)C1C PH007712 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.50 CC1C(=O)COC1=O S839418 [0,1,0,1,0,0|1,0,1]=4 230 B8R0.28 CC(=CCC[C@H](C)O)C T296155 [0,0,0,0,0,2|1,0,1]=4 231 B8R0.28 CC(=O)/C=C/C=C(C)C CDS001465 [0,0,0,0,0,2|1,0,0]=3 232 B8R0.28 CC(C)CCCC(=O)O CDS003381 [0,0,0,0,0,2|0,0,2]=4 233 B8R0.28 CC(C)COCC(=O)O CDS014100 [0,0,0,0,0,2|0,0,2]=4 234 B8R0.28 N=C(N)S/C=C\C(=O)O PH006862 [0,0,0,0,0,2|2,0,0]=4 235 B8R0.28 [C@H](C)(O)CCC=C(C)C T232645 [0,0,0,0,0,2|1,0,1]=4