0 B5R0.1 C(=O)CC(C)O CDS019977 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C(=O)NC(C)C S378380 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(C)CSC S866024 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=COC(=O)C S458201 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 CC(=O)/C=C\N S312274 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 CC(=O)CCN OTV000740 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(C)C=NO S388378 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CCNC(=N)N PH018983 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CCOC(=S)N PH003667 [0,0,0,0,0,0|2,1,1]=4 9 B5R0.1 CCOC(=S)[S-] R464988 [0,0,0,0,0,0|2,1,1]=4 10 B5R0.1 CCOC(=S)[S-] R533475 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.1 CNCC(=O)C CBR02406 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CNCC(C)C CDS000422 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 COCC(=N)N CBR01671 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 COCC(=O)N S371874 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 COC[C@@H](C)N CDS023796 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 COC[C@H](C)N CDS001149 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.1 CONC(=O)N S802999 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 CSCC(=N)N OTV000870 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 NCCC(=O)N CDS000027 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 O=C(O)/C=C/Cl R426903 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 O=C(O)/C=C\I PH010791 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 O=C(O)C[Hg]Cl S881910 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 O=C([O-])/C=C\Cl T234753 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.1 C(=O)C(=O)[O-] S573140 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 C=C(C)CN CDS003053 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(=O)CN CDS020585 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CCC(=N)N CBR01339 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CCC(=O)[O-] CDS000543 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CCC(=S)N CDS000328 [1,0,0,0,0,0|1,1,1]=4 30 B4R0.1 CNC(=O)Cl CDS009330 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CSC(=O)C CDS001513 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 O=C(O)CS CDS000504 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 O=C([O-])CO CDS000626 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.2 CC[PbH2]CC S818542 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.2 CS[PbH2]SC S549991 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 OC/C=C/Br S880973 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.1 C/C=C/[C@H](C)CC R289493 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.1 C/C=C\C(C)CC R289485 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.1 CC/C=C(\C)/CC R289574 [0,1,0,0,0,0|1,0,1]=3 40 B6R0.1 CC/C=C(\C)/CC R289582 [0,1,0,0,0,0|1,0,1]=3 41 B6R0.1 CC/C=C(\C)/CO S888702 [0,1,0,0,0,0|0,0,2]=3 42 B6R0.1 CCC(=O)COC CDS024044 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.1 CCC(=O)OCS PH000959 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.1 CCNC(=O)CBr CBR01984 [0,1,0,0,0,0|1,0,1]=3 45 B6R0.1 CCNC(=O)CCl TMT00299 [0,1,0,0,0,0|1,0,1]=3 46 B6R0.1 CCOC(=O)NC PH010865 [0,1,0,0,0,0|1,0,1]=3 47 B6R0.1 CCOC(=O)N[O-] S859273 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 CCSC(=O)CC CDS001498 [0,1,0,0,0,0|1,0,1]=3 49 B6R0.1 CNCC(=O)NC CBR00235 [0,1,0,0,0,0|1,0,1]=3 50 B6R0.1 CNCC(=O)OC PH006931 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 COC(=O)/C=C\I SYX00331 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.1 [Li]OC(=O)CCC S813958 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.2 C=C(C)CC(C)C R289256 [0,1,0,0,0,0|1,0,2]=4 54 B6R0.2 CC(=CB(O)O)C CDS007838 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.2 CC(=CC(C)C)C R289302 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.2 CC(=CN(C)C)C S365297 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.2 CC(=N)CC(=O)C S366234 [0,1,0,0,0,0|0,0,1]=2 58 B6R0.2 CC(=O)NC(C)C S378992 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.2 CC(=O)SC(=O)C R425621 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.2 CC(=S)CC(=O)N S704164 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.2 CC(C)CC(=O)[O-] S693154 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.2 CC(Cl)CC(=O)O S419621 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.2 CN(C)CC(=O)Cl CDS013657 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.2 N=C(N)NC(=O)N S414786 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.2 N=C(N)NC(=O)N S414980 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.2 NC(=O)CC(=O)O S937436 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.2 O=C(O)C=C(Cl)Cl T295175 [0,1,0,0,0,0|2,0,0]=3 68 B6R0.2 O=C([O-])C=[N+]([O-])[O-] L160970 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.3 C(=O)C(=C(Cl)Cl)Cl S893986 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.3 C/C(=C\Br)/C(=O)O S877522 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.3 C/C=C(/Br)\C(=O)O S864633 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.3 CC(=O)/C(=C/Cl)/Cl PH011277 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.3 CC(=O)/C(=C/[O-])/C S808946 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.3 CCC(C)C(=O)N S799637 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.3 CCC(N)C(=O)N S784044 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CCC(O)C(=O)O CDS000492 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.3 CCC(O)C(=O)[O-] CDS000457 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.3 CNC(=O)[C@H](C)N CDS020776 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.3 CNC(C)C(=O)N CBR00065 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 COC(=O)C(C)N S378909 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.3 CO[C@@H](C)C(=O)O CDS005685 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.4 C#C/C=C/C(C)C T269360 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.4 C=CCNC(=O)C EME00415 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.4 C=COCC(=C)C T284386 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.4 CC(=O)NCCCl CDS001220 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.4 CC(=O)OCCS S363049 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.4 CC/C=C/C(=O)Cl PH009861 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.4 CCC#CC(=O)C CDS000006 [0,1,0,0,0,0|0,0,2]=3 90 B6R0.4 CCCC=C(C)C S419117 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.4 CCCSC(=O)C CDS000298 [0,1,0,0,0,0|0,0,2]=3 92 B6R0.4 CCNCC(=O)N S877379 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.4 CCNCC(=O)N S986194 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.4 CCSCC(=O)C S614262 [0,1,0,0,0,0|0,0,2]=3 95 B6R0.4 CNCCC(=O)O CDS013939 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.4 CO/N=C/C(=O)O CDS023875 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.4 CSCCC(=O)Cl CDS000414 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.4 NC(=O)CCCCl OTV000845 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.4 NC(=O)NCCCl CDS000493 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.4 O=C(O)CCCS CDS004545 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.5 C(=C\C(C)(C)C)\C S411922 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.5 C(=C\C(C)(C)C)\C S437441 [0,1,0,0,0,0|1,0,1]=3 103 B6R1.2 BrC1=CC=CO1 CDS020809 [0,0,0,1,0,0|1,0,2]=4 104 B6R1.2 BrC1=NOC=C1 CDS005417 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 CC1=CC=NN1 CDS002430 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.2 CC1=COC=C1 CDS019631 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.2 CC1=NC=CS1 CDS000301 [0,0,0,1,0,0|1,1,1]=4 108 B6R1.2 CC1=NNC=N1 CDS020176 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.2 IC1=NNC=C1 BML00254 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.2 NC1=CSC=C1 PHB00043 [0,0,0,1,0,0|2,0,1]=4 111 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,1,0,0|0,0,2]=3 112 B6R1.2 O=C1NC=CN1 CBR02030 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.2 O=C1NCCS1 CDS011623 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 OC1=NSC=C1 CDS008627 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.5 O=C1CC(C1)Br SYX00267 [0,0,0,1,0,0|1,0,2]=4 116 B6R1.11 NC(=O)C1CC1 S455989 [0,0,0,1,0,0|1,0,2]=4 117 B3R0.1 C=CCN CDS000416 [2,0,0,0,0,0|1,0,1]=4 118 B3R0.1 C=C[Hg]Cl S881899 [2,0,0,0,0,0|2,0,0]=4 119 B3R0.1 CCCC S124796 [2,0,0,0,0,0|0,0,2]=4 120 B3R0.1 CCNC CDS013740 [2,0,0,0,0,0|1,0,1]=4 121 B3R0.2 BC(=O)O R277436 [2,0,0,0,0,0|2,0,0]=4 122 B3R0.2 CC(=O)O R252506 [2,0,0,0,0,0|1,0,0]=3 123 B3R0.2 CC(=O)O R252999 [2,0,0,0,0,0|1,0,0]=3 124 B3R0.2 CC(C)N CDS000378 [2,0,0,0,0,0|1,0,1]=4 125 B3R0.2 CN(C)C S434639 [2,0,0,0,0,0|2,0,0]=4 126 B3R0.2 CS(=O)[O-] S946621 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 Br/C=C(\Br)/CBr S53202 [1,1,0,0,0,0|2,0,0]=4 128 B5R0.3 C/C(=C\Br)/CO S881295 [1,1,0,0,0,0|1,0,1]=4 129 B5R0.3 C=CC(C)C#N PH011344 [1,1,0,0,0,0|1,0,1]=4 130 B5R0.3 C=CC(O)CBr TMT00686 [1,1,0,0,0,0|0,0,2]=4 131 B5R0.3 CCC(=O)CO R277614 [1,1,0,0,0,0|0,0,1]=3 132 B5R0.3 CNC(=O)CCl OTV000964 [1,1,0,0,0,0|1,0,0]=3 133 B5R0.3 CNC(=O)NN CDS019843 [1,1,0,0,0,0|2,0,0]=4 134 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [1,1,0,0,0,0|2,0,0]=4 135 B5R0.5 C=C(C)C(=O)C CDS000556 [1,1,0,0,0,0|0,0,0]=2 136 B5R0.5 C=C(C)C(=O)[O-] S457930 [1,1,0,0,0,0|1,0,0]=3 137 B5R0.5 C=C(C)C(=O)[O-] S460389 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.5 C=C(C)C(=O)[O-] S461806 [1,1,0,0,0,0|1,0,0]=3 139 B5R0.5 C=C(C)C(C)O T277479 [1,1,0,0,0,0|0,0,2]=4 140 B5R0.5 CC(=O)C(C)F CDS002853 [1,1,0,0,0,0|0,0,1]=3 141 B5R0.5 CC(=S)N(C)C S622877 [1,1,0,0,0,0|1,1,0]=4 142 B5R0.5 CC(O)C(=O)[O-] S933260 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.5 O=C(O)C(=O)O S647829 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.2 C(=O)CCC=C CDS000721 [1,1,0,0,0,0|0,0,2]=4 145 B5R0.2 OC/C=C/CO PH000110 [1,1,0,0,0,0|0,0,2]=4 146 B7R0.2 C=CC(C)OC(=O)C S413755 [0,2,0,0,0,0|0,0,2]=4 147 B7R0.2 CC(=O)NC(C)C=O PH018360 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.2 CC(C)OC(=O)CS S593931 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,2,0,0,0,0|1,0,1]=4 151 B7R0.2 CNC(=O)NC(=O)C S411868 [0,2,0,0,0,0|1,0,0]=3 152 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,2,0,0,0,0|0,0,0]=2 153 B7R0.2 COC(=O)/C=C(\C)/[O-] S586625 [0,2,0,0,0,0|0,0,0]=2 154 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.2 COC(=O)CC(C)Cl S559458 [0,2,0,0,0,0|0,0,2]=4 156 B7R0.2 COC(=O)NC(=O)N S876178 [0,2,0,0,0,0|2,0,0]=4 157 B7R0.2 COC(=O)NC(C)C PH006940 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.2 NC(=O)NC(=O)CCl PH011412 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.3 C(=C(/C)\CC)\CCO T295590 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.3 C=CCOC(=O)CBr PH008698 [0,2,0,0,0,0|0,0,2]=4 162 B7R0.3 CCC#CC(=O)OC T242845 [0,2,0,0,0,0|0,0,2]=4 163 B7R0.3 CCCNC(=O)CCl OTV000047 [0,2,0,0,0,0|0,0,2]=4 164 B7R0.3 CCCOC(=O)CBr PH011324 [0,2,0,0,0,0|0,0,2]=4 165 B7R0.3 CCCOC(=O)CCl S431443 [0,2,0,0,0,0|0,0,2]=4 166 B7R0.3 CCCOC(=O)CN PH019063 [0,2,0,0,0,0|0,0,2]=4 167 B7R0.3 CCOCC(=O)OC EME00071 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.3 CNC(=O)OCCCl L163082 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.3 CNC(=O)OCCO S392650 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.3 CNCCC(=O)NC CBR01261 [0,2,0,0,0,0|0,0,2]=4 171 B7R0.5 CC(=O)C(Cl)CCO S561894 [0,2,0,0,0,0|0,0,2]=4 172 B7R0.5 CC(=O)N(C)CCN PH019599 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.5 CC(=O)N(C)CCO CBR01454 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.5 CC/C=C(\C)/C(C)C R289558 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.5 CCCC(=C(C)C)C R289469 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.5 CCOC(=O)N(C)C PH001938 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.5 CCOC(=O)N(C)N PH007944 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.5 CO/C=C(\C)/C(=O)O PH008422 [0,2,0,0,0,0|1,0,0]=3 182 B7R0.5 COCC(=O)C(C)C CDS024045 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.5 CSCC(=O)N(C)C PH007257 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.7 C/C=C/C(O)CCC S417386 [0,2,0,0,0,0|0,0,2]=4 185 B7R0.7 C=CCC(O)/C=C\C S505013 [0,2,0,0,0,0|0,0,2]=4 186 B7R0.7 CCNC(=O)CC#N OTV000131 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.7 CCOC(=O)CCI T255378 [0,2,0,0,0,0|1,0,1]=4 188 B7R0.7 CCOC(=O)CNC PH000310 [0,2,0,0,0,0|1,0,1]=4 189 B7R0.7 CCOC(=O)CNN CDS009912 [0,2,0,0,0,0|1,0,1]=4 190 B7R0.7 CCOC(=O)NNC PH007943 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.7 CCOC(=O)NOC PH005154 [0,2,0,0,0,0|1,0,1]=4 192 B7R0.7 CCSC(=O)SCC S189634 [0,2,0,0,0,0|1,0,1]=4 193 B7R0.10 C/C=C(\C)/C(=O)OC CDS001207 [0,2,0,0,0,0|0,0,0]=2 194 B7R0.10 CCC(=O)C(O)CC CDS000463 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.10 CNC(=S)C(=S)NC S346977 [0,2,0,0,0,0|1,1,0]=4 196 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.10 COC(=O)C(=O)NN PH011621 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.9 C/C(=C\S(=O)(=O)C)/I S779059 [0,2,0,0,0,0|1,0,0]=3 200 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,2,0,0,0,0|0,0,1]=3 202 B7R0.16 CC(=O)N(C)C(=O)C S511196 [0,2,0,0,0,0|1,0,0]=3 203 B7R0.16 CN(C)C(=O)C(=O)O CDS003371 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.16 NC(=O)C(=C(Cl)Cl)Cl PH002333 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl S893994 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.13 CCC(C)(O)C(=O)C PH007065 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.14 C/C=C(\C)/C(C)(C)C R289345 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.15 CC(=O)/C(=N/O)/CCl PH000849 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.15 CC/C(=N/O)/C(=O)O S283916 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.15 CCC(CC)C(=O)C PH016168 [0,2,0,0,0,0|0,0,2]=4 211 B7R0.15 N#C/C(=C/[O-])/C(=O)N S883859 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.4 C#CCOCC(=O)C S38874 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.4 C/C(=C\CCCBr)/Br S877557 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.4 C=CCCOC(=O)C S510343 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.4 CC(=O)NCCCO OTV000276 [0,2,0,0,0,0|0,0,2]=4 217 B7R0.4 CC(=O)OCCCS S786683 [0,2,0,0,0,0|0,0,2]=4 218 B7R0.4 CC/C=C/CC(C)C R289604 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,2,0,0,0,0|0,0,0]=2 220 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.4 CCC/C=C/C(C)C R289590 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.4 CCC/C=C/C(C)C S369713 [0,2,0,0,0,0|1,0,1]=4 223 B7R0.4 CCCCNC(=O)C CDS013581 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.4 CCO/C=C/C(=O)O CDS016341 [0,2,0,0,0,0|1,0,0]=3 225 B7R0.4 CSCCOC(=O)C S375721 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.4 N#CS/C=C\C(=O)O PH008397 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.6 C=C(C)COC(=O)N S352055 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.6 C=C(Cl)CSC(=O)C SYX00321 [0,2,0,0,0,0|0,0,2]=4 230 B7R0.6 CC(=NNC(=O)N)C S449784 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.6 CC(=O)SCC(Cl)Cl S340472 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.6 CC(C)/C=C/C(=O)O CDS003369 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.6 CC(C)/C=C/C(C)C R289566 [0,2,0,0,0,0|1,0,1]=4 234 B7R0.6 CC(O)/C=C/C(C)O S450693 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.8 C(=C/[Si](C)(C)C)\CO T278297 [0,2,0,0,0,0|1,1,0]=4 236 B7R0.8 C(=C\[Si](C)(C)C)\CO T220086 [0,2,0,0,0,0|1,1,0]=4 237 B5R1.2 O=C1CSC1 SYX00053 [1,0,0,1,0,0|1,0,1]=4 238 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,1,0,0|1,0,1]=4 239 B5R1.1 C1=NNCC1 CDS000117 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.1 BrCC1=CSC=C1 CDS022029 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.1 CCC1C=CCC1 S416223 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.1 COC1C=CCC1 S702501 [0,1,0,1,0,0|0,0,2]=4 243 B7R1.1 CSC1=CC=CS1 R436550 [0,1,0,1,0,0|0,1,1]=4 244 B7R1.1 NCC1=COC=C1 CDS008929 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.1 O=CC1=CC=NN1 CDS003145 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.1 O=CC1=NNC=C1 CDS009918 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.1 O=CC1=NOC=C1 CDS009683 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.1 OCC1=CC=CN1 CDS009556 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.1 OCC1=NOC=C1 PHB00207 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.1 SCC1=CC=CS1 CDS000069 [0,1,0,1,0,0|0,1,1]=4 251 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.2 CC1=CSC(=N1)N S366536 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.2 CC1=NOC(=N1)C PH016136 [0,1,0,1,0,0|1,0,1]=4 256 B7R1.2 CC1COC(=O)C1 PH007953 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.2 CC1COC(=O)N1 CBR01603 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,1,0,0|1,0,1]=4 259 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.2 NC1=CC(=O)N=N1 S561037 [0,1,0,1,0,0|2,0,0]=4 263 B7R1.2 O=C1C=C(CC1)Cl PH014653 [0,1,0,1,0,0|0,0,0]=2 264 B7R1.2 O=C1C=C(CO1)Br SYX00384 [0,1,0,1,0,0|1,0,0]=3 265 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,1,0,1,0,0|1,0,1]=4 266 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.2 OC1C=CC(C1)O S779164 [0,1,0,1,0,0|0,0,2]=4 269 B7R1.3 CC1=CC=NC=C1 T256412 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.3 CC1=CC=NC=C1 T330418 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.3 CC1=CCCNC1 PHB00292 [0,1,0,1,0,0|1,0,1]=4 272 B7R1.3 CC1=CCNCC1 CBR01822 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.3 IC1=CCCCC1 PH008510 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.3 O=C1C=CC=CN1 T160121 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.3 O=C1C=CNC=C1 T161470 [0,1,0,1,0,0|0,0,2]=4 276 B7R1.3 O=C1C=CSC=C1 T162035 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.3 O=C1CCCNC1 CDS006090 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.3 O=C1COCCN1 T160245 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.3 O=C1COCCO1 PH009771 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.3 O=C1CSC=CN1 OTV000696 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.3 O=C1CSCCN1 PH010392 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.3 O=C1NCCCN1 S436712 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.3 O=C1NCCCO1 CBR00063 [0,1,0,1,0,0|1,0,1]=4 284 B7R1.3 O=C1OCCCO1 S939668 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.4 CC1=C(C=NN1)N CBR02396 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.4 CC1=C(C=NO1)I CDS015521 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.4 CC1=C(CCC1)Br T256854 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.4 CC1=CCCC1O T295310 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.4 CC1=NNC=C1I BML00217 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.4 CN1CCNC1=O CDS006142 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.4 CN1N=CC=C1Br CBR02073 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.4 NC1CCSC1=O S784036 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.4 O=C1NCC[C@@H]1O CDS004995 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.4 OC1C=CCC1O PH007055 [0,1,0,1,0,0|0,0,2]=4 297 B7R1.4 O[C@@H]1CCC=C1Br T262943 [0,1,0,1,0,0|0,0,2]=4 298 B7R1.6 COC=C1COC1 SYX00441 [0,1,0,1,0,0|1,0,1]=4 299 B7R1.15 CC1NC(=O)C1C T173835 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.15 CC1NC(=O)C1C T173843 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.22 CCC(=O)C1CC1 CDS023679 [0,1,0,1,0,0|0,0,2]=4 302 B7R1.22 CNC(=O)C1CC1 S261831 [0,1,0,1,0,0|0,0,2]=4 303 B7R1.22 COC(=O)N1CC1 T175501 [0,1,0,1,0,0|1,0,1]=4 304 B7R1.22 O=C(CBr)C1CC1 TMT00623 [0,1,0,1,0,0|0,0,2]=4 305 B7R1.20 CC(=O)CC1CC1 PH014420 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.17 CC1=CCS1(=O)=O T169978 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.17 CC1C=CS1(=O)=O T173029 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.14 O=S1(=O)C=CCC1 SYX00239 [0,1,0,1,0,0|1,0,0]=3