0 B5R0.1 C(=O)NC(C)C S378380 [0,0,0,0,0,0|1,1,2]=4 1 B5R0.1 C=C(C)CSC S866024 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C=COC(=O)C S458201 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(=O)/C=C\N S312274 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(=O)CCN OTV000740 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(C)C=NO S388378 [0,0,0,0,0,0|1,1,1]=3 6 B5R0.1 CC(C)CCCl S564524 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCNC(=N)N PH018983 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 CCOC(=S)N PH003667 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CCOC(=S)[S-] R464988 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 CCOC(=S)[S-] R533475 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CN(C)CCBr PH011840 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CN(C)CCO S573124 [0,0,0,0,0,0|1,1,1]=3 13 B5R0.1 CNCC(=O)C CBR02406 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CNCC(C)C CDS000422 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 N=C(N)CCO PH014361 [0,0,0,0,0,0|2,1,1]=4 16 B5R0.1 NCCC(=O)N CDS000027 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 O=C(O)/C=C/Cl R426903 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 O=C(O)/C=C\I PH010791 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 O=C([O-])/C=C\Cl T234753 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C(=O)C(=O)[O-] S573140 [1,0,0,0,0,0|2,1,0]=4 21 B4R0.1 C=C(C)CN CDS003053 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(=O)CN CDS020585 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 CC(C)NN CDS002505 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(C)NN CDS002842 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CCC(=N)N CBR01339 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CCC(=O)[O-] CDS000543 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CCC(=S)N CDS000328 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CNC(=O)Cl CDS009330 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.1 CSC(=O)C CDS001513 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 O=C(O)CS CDS000504 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 O=C([O-])CO CDS000626 [1,0,0,0,0,0|2,1,0]=4 32 B4R0.2 C=CCCN CDS021978 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CCCC[NH3+] S342920 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.2 CC[PbH2]CC S818542 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.2 N#CCCS OTV000794 [1,0,0,0,0,0|1,0,2]=4 36 B4R0.2 OC/C=C/Br S880973 [1,0,0,0,0,0|1,1,0]=3 37 B4R0.2 SCCCN OTV000791 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,1,0,0,0,0|1,0,2]=4 39 B6R0.1 C/C=C\C(C)CC R289485 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.1 C=C(CO)CCO T293814 [0,1,0,0,0,0|0,1,2]=4 41 B6R0.1 CC(CO)CCN CDS000171 [0,1,0,0,0,0|1,0,2]=4 42 B6R0.1 CC/C=C(\C)/CC R289574 [0,1,0,0,0,0|1,0,0]=2 43 B6R0.1 CC/C=C(\C)/CC R289582 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.1 CC/C=C(\C)/CO S888702 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.1 CCC(=O)OCS PH000959 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.1 CCC(C)CCN CBR00385 [0,1,0,0,0,0|1,0,2]=4 47 B6R0.1 CCCC(C)NC PH018184 [0,1,0,0,0,0|1,0,2]=4 48 B6R0.1 CCNC(=O)CBr CBR01984 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CCNC(=O)CCl TMT00299 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 CCNC(C)CC CBR00870 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 CCOC(=O)NC PH010865 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 CCSC(=O)CC CDS001498 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.1 CNC(C)CCO CBR02003 [0,1,0,0,0,0|0,1,2]=4 54 B6R0.1 COC(=O)/C=C\I SYX00331 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 C[C@@H](CO)CCN CDS000036 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.2 C=C(C)CC(C)C R289256 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.2 CC(=CB(O)O)C CDS007838 [0,1,0,0,0,0|1,1,0]=3 58 B6R0.2 CC(=CC(C)C)C R289302 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.2 CC(=CN(C)C)C S365297 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.2 CC(=O)NC(C)C S378992 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,1,0,0,0,0|1,1,1]=4 63 B6R0.3 CC(C)/C(=N\O)/N MNO000140 [0,1,0,0,0,0|1,1,1]=4 64 B6R0.3 CC(C)C(=O)NN CDS003555 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.3 CC(CS)C(=O)O CDS000283 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.3 CN(C)C(=O)CBr CDS023710 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.3 CN(C)C(=O)CO CDS023758 [0,1,0,0,0,0|1,1,0]=3 68 B6R0.3 C[C@@H](CO)N(C)C T260711 [0,1,0,0,0,0|1,1,1]=4 69 B6R0.4 C#C/C=C/C(C)C T269360 [0,1,0,0,0,0|1,0,2]=4 70 B6R0.4 C=CCCC(C)C R289442 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.4 C=CCNC(=O)C EME00415 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.4 C=CCNC(C)C CBR02371 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(=O)NCCCl CDS001220 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(=O)OCCS S363049 [0,1,0,0,0,0|1,0,1]=3 75 B6R0.4 CC(C)OCCN CDS000373 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.4 CC/C=C/C(=O)Cl PH009861 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.4 CCC#CC(=O)C CDS000006 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.4 CCCC=C(C)C S419117 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.4 CCCSC(=O)C CDS000298 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.4 CCCSC(C)C S570702 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.4 CCSCC(=O)C S614262 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CSCCC(=O)Cl CDS000414 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.4 CSCCC(C)C S351520 [0,1,0,0,0,0|0,0,2]=3 84 B6R0.4 O=C(O)CCCS CDS004545 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.5 C(=C\C(C)(C)C)\C S411922 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.5 C(=C\C(C)(C)C)\C S437441 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.5 CC(C)(C)/C=N/O PH009800 [0,1,0,0,0,0|1,1,1]=4 89 B6R0.5 CC(C)(C)CCCl S416630 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.5 CC(C)(Cl)CCCl S434116 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.5 CC(C)(F)CCO PH018175 [0,1,0,0,0,0|0,1,2]=4 92 B6R0.5 CC(C)(O)CCCl CDS019086 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.5 CC(C)(O)CCN CDS019270 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.5 CCNC(C)(C)C CDS000392 [0,1,0,0,0,0|2,0,1]=4 95 B6R1.2 CC1=CC=NN1 CDS002430 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 CC1=COC=C1 CDS019631 [0,0,0,1,0,0|0,1,2]=4 97 B6R1.2 CC1CCNC1 CDS003772 [0,0,0,1,0,0|1,0,2]=4 98 B6R1.2 C[C@@H]1CCNC1 CDS006861 [0,0,0,1,0,0|1,0,2]=4 99 B6R1.2 C[C@H]1CCNC1 CDS009158 [0,0,0,1,0,0|1,0,2]=4 100 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,1,0,0|1,0,2]=4 101 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,1,0,0|2,0,1]=4 102 B6R1.3 NCCC1CC1 CDS004252 [0,0,0,1,0,0|1,0,2]=4 103 B6R1.5 CN1CC(C1)N CDS007511 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.5 O=C1CC(C1)Br SYX00267 [0,0,0,1,0,0|2,0,1]=4 105 B6R1.9 CC1CC1(C)C R289639 [0,0,0,1,0,0|1,0,2]=4 106 B6R1.11 CC(C)C1CC1 R289612 [0,0,0,1,0,0|1,0,2]=4 107 B3R0.1 C=CCN CDS000416 [2,0,0,0,0,0|1,0,0]=3 108 B3R0.1 C=C[Hg]Cl S881899 [2,0,0,0,0,0|2,0,0]=4 109 B3R0.1 CCCC S124796 [2,0,0,0,0,0|0,0,2]=4 110 B3R0.1 CCNC CDS013740 [2,0,0,0,0,0|1,0,1]=4 111 B3R0.2 CC(=O)O R252506 [2,0,0,0,0,0|1,1,0]=4 112 B3R0.2 CC(=O)O R252999 [2,0,0,0,0,0|1,1,0]=4 113 B3R0.2 CC(C)N CDS000378 [2,0,0,0,0,0|1,0,1]=4 114 B3R0.2 CN(C)C S434639 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.3 Br/C=C(\Br)/CBr S53202 [1,1,0,0,0,0|2,0,0]=4 116 B5R0.3 C/C(=C\Br)/CO S881295 [1,1,0,0,0,0|1,0,0]=3 117 B5R0.3 C/C(=N\O)/CS R262161 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.3 CC(CN)CO CDS010871 [1,1,0,0,0,0|0,1,1]=4 119 B5R0.3 CCC(=O)CO R277614 [1,1,0,0,0,0|1,0,1]=4 120 B5R0.3 CNC(=O)CCl OTV000964 [1,1,0,0,0,0|2,0,0]=4 121 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.4 CC(C)(O)CN CDS007515 [1,1,0,0,0,0|1,0,1]=4 123 B5R0.5 C=C(C)C(=O)C CDS000556 [1,1,0,0,0,0|0,0,1]=3 124 B5R0.5 C=C(C)C(=O)[O-] S457930 [1,1,0,0,0,0|0,1,1]=4 125 B5R0.5 C=C(C)C(=O)[O-] S460389 [1,1,0,0,0,0|0,1,1]=4 126 B5R0.5 C=C(C)C(=O)[O-] S461806 [1,1,0,0,0,0|0,1,1]=4 127 B5R0.5 C=C(C)C(C)O T277479 [1,1,0,0,0,0|0,0,2]=4 128 B5R0.5 CC(=O)C(C)F CDS002853 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.5 CC(=S)N(C)C S622877 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.5 CC(C)C(=N)N CDS015019 [1,1,0,0,0,0|1,0,1]=4 131 B5R0.5 CC(C)C(=S)N PH006913 [1,1,0,0,0,0|0,0,2]=4 132 B5R0.2 CCCCSC S447420 [1,1,0,0,0,0|0,0,2]=4 133 B5R0.2 COCCSC S698245 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.2 OC/C=C/CO PH000110 [1,1,0,0,0,0|0,1,0]=3 135 B7R0.2 C=C(CO)CC(C)C T296279 [0,2,0,0,0,0|0,1,1]=4 136 B7R0.2 CC(C)OC(=O)CS S593931 [0,2,0,0,0,0|0,0,1]=3 137 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,2,0,0,0,0|1,0,1]=4 138 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,2,0,0,0,0|0,1,0]=3 139 B7R0.5 C/C(=C\C#N)/C(C)C PH010111 [0,2,0,0,0,0|1,0,1]=4 140 B7R0.5 C=C(CCC)C(C)C R289221 [0,2,0,0,0,0|1,0,1]=4 141 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.5 CCCC(=C(C)C)C R289469 [0,2,0,0,0,0|1,0,0]=3 143 B7R0.5 CCOC(=O)N(C)C PH001938 [0,2,0,0,0,0|2,0,0]=4 144 B7R0.5 CN(C)C(=O)CCN CBR00920 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,2,0,0,0,0|2,0,0]=4 146 B7R0.5 COCC(=O)C(C)C CDS024045 [0,2,0,0,0,0|0,1,1]=4 147 B7R0.5 CSCC(=O)N(C)C PH007257 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.7 CCC/C(=C/C#N)/C PH010112 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,2,0,0,0,0|1,0,1]=4 152 B7R0.16 CC(N)C(=O)N(C)C CBR01336 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.16 CC(O)C(=O)N(C)C CDS021721 [0,2,0,0,0,0|1,1,0]=4 154 B7R0.14 C=C(CO)[Si](C)(C)C T225495 [0,2,0,0,0,0|0,2,0]=4 155 B7R0.15 CC(=O)/C(=N/O)/CCl PH000849 [0,2,0,0,0,0|2,0,0]=4 156 B7R0.4 C/C(=C\CCCBr)/Br S877557 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.4 C=CSCCN(C)C S339865 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.4 CC(=O)OCCCS S786683 [0,2,0,0,0,0|1,0,1]=4 159 B7R0.4 CC/C=C/CC(C)C R289604 [0,2,0,0,0,0|1,0,1]=4 160 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.4 CCC/C=C/C(C)C R289590 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.4 CCC/C=C/C(C)C S369713 [0,2,0,0,0,0|1,0,1]=4 163 B7R0.4 CSCCOC(=O)C S375721 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.6 CC(C)/C=C/C(C)C R289566 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.6 CN(C)CCC(=N)S PH015242 [0,2,0,0,0,0|1,0,1]=4 166 B7R0.8 C(=C/[Si](C)(C)C)\CO T278297 [0,2,0,0,0,0|0,2,0]=4 167 B7R0.8 C(=C\[Si](C)(C)C)\CO T220086 [0,2,0,0,0,0|0,2,0]=4 168 B5R1.2 O=C1CSC1 SYX00053 [1,0,0,1,0,0|1,0,0]=3 169 B5R1.3 CNC1CC1 CDS021441 [1,0,0,1,0,0|1,0,1]=4 170 B5R1.4 CC1CC1N CDS012259 [1,0,0,1,0,0|1,0,1]=4 171 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,1,0,1,0,0|0,0,2]=4 173 B7R1.1 CC=C1CCCC1 S431559 [0,1,0,1,0,0|1,0,1]=4 174 B7R1.1 COC1=NCCC1 PH000359 [0,1,0,1,0,0|2,0,0]=4 175 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,1,0,0|2,0,0]=4 176 B7R1.3 CC1=CCCNC1 PHB00292 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.3 CC1=CCNCC1 CBR01822 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.3 CC1=NCCCN1 PH016717 [0,1,0,1,0,0|2,0,0]=4 179 B7R1.3 CC1=NCCCS1 PH000571 [0,1,0,1,0,0|2,0,0]=4 180 B7R1.3 IC1=CCCCC1 PH008510 [0,1,0,1,0,0|2,0,0]=4 181 B7R1.3 O=C1CSC=CN1 OTV000696 [0,1,0,1,0,0|1,0,1]=4 182 B7R1.3 O=C1CSCCN1 PH010392 [0,1,0,1,0,0|1,0,1]=4 183 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,1,0,0|1,0,0]=3 184 B7R1.4 CC1=CCCC1O T295310 [0,1,0,1,0,0|1,0,0]=3 185 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,1,0,1,0,0|2,0,0]=4 186 B7R1.6 COC=C1COC1 SYX00441 [0,1,0,1,0,0|2,0,0]=4 187 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,1,0,1,0,0|1,0,1]=4 188 B7R1.22 O=C(CBr)C1CC1 TMT00623 [0,1,0,1,0,0|1,0,1]=4 189 B7R1.14 CC1(NCCS1)C CDS000182 [0,1,0,1,0,0|0,0,2]=4