0 B6R0.1 CCCC(=O)NN NO22544 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.1 CCNC(=O)CN DY461322 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.1 CCOC(=O)CC DY460554 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCOC(=O)CN DY700831 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CCOC(=O)CN NO15347 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCOC(=O)CO NO11386 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCOC(=O)NN NO11383 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.1 CNC(=O)CC#N NO18404 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 COC(=N)CCCl DY799605 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 COC(=O)CC=O DY740485 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 COC(=O)CCCl DY741043 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.1 COC(=O)CCN NO22266 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.1 COC(=O)CSC DY460536 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.1 COCC(=O)NN NO11580 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.1 C=C(C)CCBr NO14513 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CC#CC(=O)O DY20776 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CC(=O)O[Ru]Cl DY577947 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CC(=O)\C=N\O NO11520 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CC(=O)\C=N\O NO18968 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 CCCB(O)O NO14802 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CCCC(C)O DY741013 [1,0,0,0,0,0|1,0,2]=4 23 B5R0.1 CCNC(C)=O DY564051 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CCOC(C)=N DY500026 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 COCC(=N)N DY535605 [1,0,0,0,0,0|2,1,0]=4 27 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|0,1,0]=2 28 B5R0.1 COCC(C)O NO20741 [1,0,0,0,0,0|0,1,2]=4 29 B5R0.1 COC[C@@H](C)O NO20249 [1,0,0,0,0,0|0,1,2]=4 30 B5R0.1 COC[C@H](C)N DY623421 [1,0,0,0,0,0|1,1,1]=4 31 B5R0.1 COC[C@H](C)O NO20309 [1,0,0,0,0,0|0,1,2]=4 32 B5R0.1 CSCC(=N)N DY504363 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|0,0,0]=1 34 B5R0.1 CSCC(N)=O NO12608 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 C\C=C\C(=O)O DY41882 [1,0,0,0,0,0|1,0,1]=3 36 B5R0.1 N#CCC(=O)Cl DY740377 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 N#CCC(N)=O NO18594 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 NCCC(=O)O NO13499 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 O=C(O)OCCl DY523719 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.2 CNCCNC NO15116 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 COCCC#N NO22345 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 COCCCBr NO20649 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 COCCCO NO20039 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 COCCOC DY546591 [1,0,0,0,0,0|0,1,1]=3 45 B5R0.2 CSCCCO DY557199 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 C\C=C\CCO DY799773 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.3 CCC(=O)OC DY460566 [1,0,0,0,0,0|0,0,0]=1 48 B5R0.3 CCN(O)CC DY551655 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.3 CNC(=O)CCl DY21094 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.3 CNC(=O)CN DY437710 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.3 CNC(=O)CN DY542271 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.3 COC(=O)CF DY822286 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.3 COC(=O)CN NO15045 [1,0,0,0,0,0|1,0,0]=2 54 B5R0.3 COC(=O)CO NO19433 [1,0,0,0,0,0|0,1,0]=2 55 B5R0.3 COC(=O)CS DY20578 [1,0,0,0,0,0|0,0,0]=1 56 B5R0.3 COC(=O)NN DY20825 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.3 COC(=S)NN DY536997 [1,0,0,0,0,0|2,1,0]=4 58 B5R0.3 CO[C@H](C)CN DY622119 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 CO[C@H](C)CN NO17733 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 CO[C@H](C)CO NO12306 [1,0,0,0,0,0|1,1,1]=4 61 B5R0.3 O=C(CBr)CBr DY572985 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.3 O=C(CO)CO NO11245 [1,0,0,0,0,0|2,1,0]=4 63 B7R0.2 CC(C)CC(=O)CN DY540483 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,1,0,0,0,0|3,0,0]=4 66 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.2 COC(=O)CC(=O)O NO13436 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.2 COC(=O)CC(N)=O DY557829 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.2 COC(=O)\C=C(/C)F DY822490 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.2 COC(=O)\C=C(/C)N NO13690 [0,1,0,0,0,0|1,0,1]=3 76 B7R0.3 C#CCCC(=O)OC DY424002 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.3 COC(=O)CCC#N DY553731 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.3 COC(=O)CCC=O DY21172 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.3 COC(=O)\C=C\CBr NO13509 [0,1,0,0,0,0|1,0,1]=3 81 B7R0.3 COC(=O)\C=C\CN DY583653 [0,1,0,0,0,0|1,0,1]=3 82 B7R0.3 CO\C=C\C(=O)OC NO11630 [0,1,0,0,0,0|0,1,1]=3 83 B7R0.5 CCCC(=O)N(C)C DY584357 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.5 CCNC(=O)C(C)Cl DY605068 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.5 CCOC(=O)C(C)C NO11388 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.5 CCOC(=O)C(C)N DY628935 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.5 CN(C)C(=O)CCO DY606315 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.7 CC#CC(=O)OCC NO10117 [0,1,0,0,0,0|1,0,1]=3 90 B7R0.7 CCNC(=O)CC#N DY740641 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.7 CCOC(=O)CC=O DY586084 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.7 CCOC(=O)CCN NO14330 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.7 CCOC(=O)CNC NO17068 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.7 CCOC(=O)CNN NO19987 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.7 CCOC(=O)COC NO11389 [0,1,0,0,0,0|0,1,0]=2 96 B7R0.7 CCOC(=O)\C=C\Br DY822474 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.7 COCC(N)COC NO21215 [0,1,0,0,0,0|1,1,1]=4 98 B7R0.7 O=C(CCCl)CCCl NO19912 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.10 C=C(CBr)C(=O)OC NO11592 [0,1,0,0,0,0|2,0,1]=4 100 B7R0.10 C=C(CC)C(=O)OC DY541119 [0,1,0,0,0,0|1,0,1]=3 101 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.10 CNC(=O)[C@H](C)NC DY608115 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.10 COC(=O)C(=O)CBr NO15824 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.10 COC(=O)C(Br)CBr DY740875 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.10 COC(=O)C(C)OC DY822756 [0,1,0,0,0,0|0,1,0]=2 106 B7R0.10 COC(=O)C(F)CO NO17081 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.10 COC(=O)C(N)CCl NO22615 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.10 COC(=O)C(N)CO NO16785 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.10 COC(C)C(=O)NN DY604048 [0,1,0,0,0,0|2,1,0]=4 114 B7R0.12 COCC(OC)OC DY822270 [0,1,0,0,0,0|0,1,2]=4 115 B7R1.1 COC1=CSC=C1 NO22351 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.1 COC1=NCCC1 NO10423 [0,0,0,1,0,0|2,0,0]=3 117 B7R1.1 COC1CCCC1 DY459258 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 COC1CCNC1 NO22350 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,0,0,1,0,0|2,0,1]=4 122 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,0,0,1,0,0|2,0,1]=4 129 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,0,0,1,0,0|3,0,0]=4 131 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,0,0,1,0,0|3,0,0]=4 132 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.2 O=C1CC(O)CN1 NO14706 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.3 CC1CNCCO1 NO21692 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 O=C1C=CCCN1 NO15771 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.3 O=C1C=CCOC1 NO17023 [0,0,0,1,0,0|1,1,1]=4 143 B7R1.3 O=C1CCCCO1 NO11208 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.3 O=C1CCCNC1 DY557319 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.3 O=C1CCCNC1 NO17767 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.3 O=C1CCOCC1 NO13380 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 O=C1CCSCC1 NO18797 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 O=C1CNCCN1 NO19142 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.3 O=C1COCCN1 NO11697 [0,0,0,1,0,0|1,1,0]=3 150 B7R1.3 O=C1COCCO1 DY20725 [0,0,0,1,0,0|0,1,0]=2 151 B7R1.3 O=S1CCCCC1 DY822282 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 S=C1COCCN1 DY732685 [0,0,0,1,0,0|1,2,0]=4 153 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.4 CC1OCCC1=O NO14135 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.4 CN1CC=CC1=O DY717447 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.4 CN1N=CCC1=O NO15601 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.4 O=C1CCCC1Cl DY567621 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.22 CCC(=O)C1CC1 DY566457 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.22 O=C(CO)C1CC1 DY758275 [0,0,0,1,0,0|3,0,0]=4 162 B4R0.1 CC(=O)CBr DY20986 [2,0,0,0,0,0|1,0,0]=3 163 B4R0.1 CC(=O)CN NO10921 [2,0,0,0,0,0|1,0,0]=3 164 B4R0.1 CC(=O)CO NO11467 [2,0,0,0,0,0|0,1,0]=3 165 B4R0.1 CC(=O)NN NO10881 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 CC(=O)NO NO14961 [2,0,0,0,0,0|1,1,0]=4 167 B4R0.1 CCB(O)O NO13979 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.1 CCC(C)I DY740911 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.1 CCC(N)=O NO11886 [2,0,0,0,0,0|1,0,0]=3 170 B4R0.1 COC(=N)N DY546861 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 COC(N)=O NO11667 [2,0,0,0,0,0|1,0,0]=3 172 B4R0.1 C\C=C(/C)Br DY10255 [2,0,0,0,0,0|1,0,1]=4 173 B4R0.1 NC(=O)CBr NO21389 [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 NC(=O)CS DY570543 [2,0,0,0,0,0|1,0,0]=3 175 B4R0.1 NCC(=O)O NO19951 [2,0,0,0,0,0|1,0,0]=3 176 B4R0.1 NCC(=O)[O-] DY20522 [2,0,0,0,0,0|1,0,1]=4 177 B4R0.1 NCC(=O)[O-] DY795873 [2,0,0,0,0,0|1,0,1]=4 178 B4R0.1 NCC(=O)[O-] NO10910 [2,0,0,0,0,0|1,0,1]=4 179 B4R0.1 NCC(N)=O NO13806 [2,0,0,0,0,0|2,0,0]=4 180 B4R0.1 O=C(Br)CBr DY796737 [2,0,0,0,0,0|2,0,0]=4 181 B4R0.1 O=C(Cl)CBr DY21000 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.1 O=C(O)CO NO19334 [2,0,0,0,0,0|0,1,0]=3 183 B4R0.1 O=C([O-])CS DY822459 [2,0,0,0,0,0|0,0,1]=3 184 B4R0.2 CCNCC NO11240 [2,0,0,0,0,0|2,0,0]=4 185 B4R0.2 CNCCO NO20910 [2,0,0,0,0,0|1,0,1]=4 186 B4R0.2 COCC=O DY740317 [2,0,0,0,0,0|0,1,0]=3 187 B4R0.2 COCCBr DY578823 [2,0,0,0,0,0|1,0,1]=4 188 B4R0.2 COCCN DY822486 [2,0,0,0,0,0|1,0,1]=4 189 B4R0.2 COCCO DY457570 [2,0,0,0,0,0|0,1,1]=4 190 B4R0.2 CSCSC DY528795 [2,0,0,0,0,0|0,1,0]=3 191 B6R0.2 CC(=O)NC(C)C DY461094 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.2 CC(C)=CC(=O)O NO14947 [1,1,0,0,0,0|1,0,1]=4 193 B6R0.2 CC(O)CC(=O)[O-] DY460020 [1,1,0,0,0,0|1,0,1]=4 194 B6R0.2 CN(C)CC(=O)O NO13413 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,1,0,0,0,0|1,0,0]=3 196 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [1,1,0,0,0,0|1,0,1]=4 197 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,1,0,0,0,0|1,0,0]=3 198 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.3 C=CC(C)C(=O)O DY559155 [1,1,0,0,0,0|1,0,1]=4 201 B6R0.3 C=CC(O)C(=O)O DY586439 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.3 CC(=O)C(C)C=O DY459582 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.3 CCC(=O)C(=O)O NO21626 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.3 CCC(N)C(=O)O NO14084 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.3 CCC(O)C(=O)O DY562593 [1,1,0,0,0,0|1,0,0]=3 207 B6R0.3 CCC(O)C(=O)[O-] DY557445 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.3 CC[C@H](N)C(=O)O NO13661 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.3 CC[C@H](N)C(N)=O DY436006 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.3 CC[C@H](N)C(N)=O NO15891 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.3 COC(C)C(=O)O NO14024 [1,1,0,0,0,0|0,1,0]=3 217 B6R0.3 CON(C)C(C)=O NO11789 [1,1,0,0,0,0|1,1,0]=4 218 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.3 NC(CO)C(=O)O NO18949 [1,1,0,0,0,0|2,0,0]=4 220 B6R0.3 NC(CS)C(=O)O NO19655 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.3 NCC(N)C(=O)O DY702709 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.3 NCC(N)C(=O)O DY703093 [1,1,0,0,0,0|2,0,0]=4 223 B6R0.3 NCC(N)C(=O)O NO19624 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [1,1,0,0,0,0|2,0,0]=4 226 B6R0.3 NC[C@H](N)C(=O)O NO14756 [1,1,0,0,0,0|2,0,0]=4 227 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [1,1,0,0,0,0|2,0,0]=4 228 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [1,1,0,0,0,0|2,0,0]=4 229 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [1,1,0,0,0,0|2,0,0]=4 232 B6R0.3 N[C@H](CO)C(=O)O NO14731 [1,1,0,0,0,0|2,0,0]=4 233 B6R0.3 N[C@H](CS)C(=O)O DY439001 [1,1,0,0,0,0|2,0,0]=4 234 B6R0.3 N[C@H](CS)C(=O)O NO19417 [1,1,0,0,0,0|2,0,0]=4 235 B6R0.3 O=C(O)C(Br)CBr NO15215 [1,1,0,0,0,0|2,0,0]=4 236 B6R0.3 O=C(O)C(Br)CF DY741307 [1,1,0,0,0,0|2,0,0]=4 237 B6R0.3 O=C(O)C(O)CCl DY10790 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.3 O=C(O)[C@H](O)CS DY740539 [1,1,0,0,0,0|2,0,0]=4 239 B6R0.4 C#CCCC(=O)O DY428029 [1,1,0,0,0,0|1,0,1]=4 240 B6R0.4 C=CCCC(=O)O NO15216 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.4 CC(=O)CCCBr NO10305 [1,1,0,0,0,0|1,0,0]=3 242 B6R0.4 CC(=O)CCCCl NO10334 [1,1,0,0,0,0|1,0,0]=3 243 B6R0.4 CC(=O)NCCCl DY33011 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.4 CC\C=C\C(C)=O DY822743 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.4 CSCCC(C)=O DY740809 [1,1,0,0,0,0|0,0,0]=2 246 B6R0.4 N#CCCC(=O)O NO22262 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.4 NCCCC(=O)O NO14998 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.4 NCCNC(=O)O DY822495 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.4 NC\C=C\C(=O)O DY552195 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.4 O=C(O)CCCBr NO14053 [1,1,0,0,0,0|1,0,0]=3 251 B6R0.6 CCCCSCC DY740893 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.6 COCCCCBr NO22933 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.6 COCCCCO DY741295 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.6 COCCCOC DY792147 [1,1,0,0,0,0|0,1,1]=4 255 B6R0.9 CCC(CN)OC DY610294 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.9 COC(C=O)OC DY822359 [1,1,0,0,0,0|0,1,1]=4 257 B8R0.2 COC(=O)C(Br)C(C)C NO11601 [0,2,0,0,0,0|1,0,0]=3 258 B8R0.2 COC(=O)C(C)C(=O)O DY547743 [0,2,0,0,0,0|2,0,0]=4 259 B8R0.2 COC(=O)C(N)C(C)=O DY700224 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.2 COC(=O)C(N)C(C)O NO17155 [0,2,0,0,0,0|1,0,0]=3 261 B8R0.2 COC(=O)[C@@H](N)C(C)C NO22265 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O NO17112 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.2 COC(=O)[C@H](N)C(C)C DY438304 [0,2,0,0,0,0|1,0,0]=3 264 B8R0.2 COC(=O)[C@H](N)C(C)C NO13949 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.2 COC(=O)[C@H](N)[C@H](C)O NO15233 [0,2,0,0,0,0|1,0,0]=3 266 B8R0.5 CC(C)OC(=O)OCCl NO19003 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.5 CCOC(=O)C=C(C)C NO11345 [0,2,0,0,0,0|1,0,1]=4 268 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.5 CCOC(=O)CC(F)F DY586521 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.5 CCOC(=O)CC(N)=O NO18301 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,2,0,0,0,0|1,0,0]=3 272 B8R0.5 CCOC(=O)C[N+](=O)[O-] NO22612 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.5 CCOC(=O)OC(C)Cl NO20668 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.5 CCOC(=O)\C=C(/C)N NO15795 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,2,0,0,0,0|2,0,0]=4 276 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,2,0,0,0,0|1,0,0]=3 277 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,2,0,0,0,0|1,0,0]=3 278 B8R0.19 COC(=O)CC(=O)CCl DY20592 [0,2,0,0,0,0|1,0,0]=3 279 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,2,0,0,0,0|1,0,0]=3 280 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,2,0,0,0,0|1,0,0]=3 281 B8R0.19 COC(=O)OC(=O)OC DY528549 [0,2,0,0,0,0|0,1,1]=4 282 B8R0.24 COC(=O)CC(C)(C)C DY502731 [0,2,0,0,0,0|1,0,0]=3 283 B8R0.24 COC(=O)CC(C)(C)N DY740383 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.1 C#CCCC(=O)CCC DY822712 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.1 C=CCOC(=O)CC#N DY518301 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.1 CCC#CC(=O)OCC DY560139 [0,2,0,0,0,0|1,0,1]=4 287 B8R0.1 CCOC(=O)CCCCl DY822383 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.1 CCOC(=O)CCCO DY111642 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.1 CCOC(=O)CN=C=O DY41055 [0,2,0,0,0,0|1,0,1]=4 290 B8R0.1 CCOCC(=O)OCC DY461136 [0,2,0,0,0,0|0,1,0]=3 291 B8R0.1 CNCC(=O)NCCO DY741259 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.3 C=CC[C@@H](N)C(=O)OC DY628161 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.3 CCNC(=O)[C@@H](N)CC DY116564 [0,2,0,0,0,0|2,0,0]=4 294 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,2,0,0,0,0|1,0,1]=4 295 B8R0.3 CCOC(=O)C(Br)CBr DY551433 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.3 CCOC(=O)C(Br)OC DY556005 [0,2,0,0,0,0|0,1,0]=3 297 B8R0.3 CCOC(=O)C(C)C#N NO21515 [0,2,0,0,0,0|2,0,0]=4 298 B8R0.3 CCOC(=O)C(N)CO DY439193 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.3 CCOC(=O)[C@@H](N)CO DY553761 [0,2,0,0,0,0|2,0,0]=4 300 B8R0.3 CCOC(=O)[C@@H](N)CO NO17107 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.3 CCOC(=O)[C@H](N)CO NO13449 [0,2,0,0,0,0|2,0,0]=4 302 B8R0.8 CNCCC(=O)N(C)C DY606171 [0,2,0,0,0,0|2,0,0]=4 303 B8R0.8 CSCCC(=O)C(=O)[O-] DY558027 [0,2,0,0,0,0|2,0,0]=4 304 B8R0.9 COC(=O)CCC(=O)O NO11694 [0,2,0,0,0,0|1,0,1]=4 305 B8R0.9 COC(=O)CCS(=O)[O-] NO11954 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.13 COC(=O)C(C)(C)CCl DY584317 [0,2,0,0,0,0|2,0,0]=4 307 B8R0.13 COC(=O)C(C)(C)CO NO11468 [0,2,0,0,0,0|2,0,0]=4 308 B8R0.13 COC(=O)C(Cl)(Cl)C#N DY741289 [0,2,0,0,0,0|2,0,0]=4 309 B8R0.20 CN[C@@H](CO)C(=O)OC DY435501 [0,2,0,0,0,0|1,0,0]=3 310 B6R1.2 C=C1CCSC1 DY523665 [1,0,0,1,0,0|1,0,0]=3 311 B6R1.2 CC1=NCCC1 NO21664 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,1,0,0|1,0,0]=3 313 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,1,0,0|1,0,0]=3 314 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,1,0,0|0,1,0]=3 315 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,1,0,0|0,0,0]=2 316 B6R1.2 O=C1N=CCO1 DY565077 [1,0,0,1,0,0|2,0,0]=4 317 B6R1.5 C=C1CC(=O)O1 DY732691 [1,0,0,1,0,0|1,0,1]=4 318 B6R1.5 CN1CC(=O)C1 DY533589 [1,0,0,1,0,0|1,0,0]=3 319 B6R1.5 NC1CC(=O)C1 DY444232 [1,0,0,1,0,0|2,0,0]=4 320 B6R1.5 NC1CC(=O)C1 DY756175 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.10 CC1(N)CSC1 DY113158 [1,0,0,1,0,0|1,0,1]=4 322 B6R1.11 NC(=O)C1CC1 NO16456 [1,0,0,1,0,0|2,0,0]=4 323 B6R1.11 O=C(O)C1CC1 NO13839 [1,0,0,1,0,0|1,0,0]=3 324 B6R1.11 O=C([O-])C1CO1 NO17514 [1,0,0,1,0,0|0,1,1]=4 325 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [1,0,0,1,0,0|0,1,1]=4 326 B6R1.11 O=S(O)C1CC1 DY586549 [1,0,0,1,0,0|2,0,0]=4 327 B6R1.1 C1=CCNCC1 DY444071 [1,0,0,1,0,0|2,0,0]=4 328 B6R1.1 C1=CCSCC1 DY427366 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.1 C1=COCCC1 DY20500 [1,0,0,1,0,0|1,0,1]=4 330 B6R1.1 C1CCSCC1 DY822278 [1,0,0,1,0,0|1,0,1]=4 331 B6R1.1 C1COCCN1 DY20726 [1,0,0,1,0,0|1,0,1]=4 332 B6R1.1 C1CSCCN1 DY20759 [1,0,0,1,0,0|1,0,1]=4 333 B6R1.6 COC1CNC1 NO17370 [1,0,0,1,0,0|1,0,1]=4 334 B8R1.1 CCC1COC(=O)N1 DY607707 [0,1,0,1,0,0|1,0,0]=3 335 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,1,0,1,0,0|1,0,0]=3 337 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.4 CN1CCNC(=O)C1 NO13438 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,1,0,1,0,0|2,0,0]=4 343 B8R1.4 O=C1CCCC(=O)C1 NO19094 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.4 O=C1CCCC(=O)O1 NO11243 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.4 O=C1CCNC(=O)C1 NO18339 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.18 CC1=C(C)OC(=O)O1 NO18029 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.51 CC1(C)CNC(=O)C1 NO22480 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.51 CC1(O)CNC(=O)C1 DY559053 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.83 COC(=O)C1CC1Br DY430638 [0,1,0,1,0,0|1,0,0]=3 352 B8R1.2 COC1=CCCCC1 DY789345 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.2 COC1=NCCCC1 DY711079 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.2 O=CC1=CCCOC1 NO10171 [0,1,0,1,0,0|1,1,0]=4 355 B8R1.2 O=CC1CCCSC1 DY563535 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.3 O=C1COC(=O)CN1 DY549675 [0,1,0,1,0,0|1,0,1]=4 364 B8R1.3 O=C1COC(=O)CO1 DY758720 [0,1,0,1,0,0|0,1,1]=4 365 B8R1.5 CC1NCCNC1=O DY543543 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.5 CN1CCCNC1=O DY502023 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.5 CN1CCNCC1=O DY734647 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.5 CN1CCNCC1=O NO17040 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.5 CN1CCNCC1=O NO18390 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.5 O=C1CCCCC1=O NO20486 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.5 O=C1CCCCC1Br DY573183 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.5 O=C1CCCCN1O DY822177 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.5 O=C1NCCCC1O NO19689 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.5 O=C1OCCCC1O NO16147 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.22 C=C1OCCCCO1 DY567825 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.22 O=C1CCCCCC1 DY461238 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.22 O=C1CCCNCC1 NO19096 [0,1,0,1,0,0|2,0,0]=4 382 B8R1.22 O=C1CCNCCN1 NO18857 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.22 O=C1OCCCCO1 DY770703 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.38 CCC(=O)C1COC1 DY526161 [0,1,0,1,0,0|1,1,0]=4 385 B8R1.38 CNC(=O)C1CCC1 DY514599 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.38 COC(=O)C1CNC1 NO13402 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.38 COC(=O)[C@@H]1CCN1 DY625939 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.38 COC(=O)[C@H]1CCN1 DY565389 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.38 COC(=O)[C@H]1CCN1 DY627322 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.50 CN1CC[C@@H](O)C1=O DY563481 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.37 CCCC(=O)N1CC1 DY743815 [0,1,0,1,0,0|2,0,0]=4 392 B8R1.37 CCOC(=N)C1CC1 DY757813 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.8 CSCC1=CC=CO1 DY523785 [0,1,0,1,0,0|1,0,1]=4 394 B8R1.39 COC(=O)C1(Br)CC1 NO14399 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.39 COC(=O)C1(N)CC1 NO20598 [0,1,0,1,0,0|1,0,0]=3