0 B7R0.3 C#CCCC(=O)OC DY424002 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CCCCC(O)CO DY567525 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 CCCOC(C)CN DY605531 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 CCN(C)CCCO DY604490 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.3 COC(=O)CCC#N DY553731 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 COC(=O)CCC=O DY21172 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.3 COC(=O)\C=C\CBr NO13509 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 COC(=O)\C=C\CN DY583653 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CO\C=C\C(=O)OC NO11630 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCCC(=O)NN NO22544 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 CCCC(C)CBr DY112368 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(O)CO NO20495 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.1 CCNC(=O)CN DY461322 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CCOC(=O)CC DY460554 [1,0,0,0,0,0|0,0,0]=1 15 B6R0.1 CCOC(=O)CN DY700831 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.1 CCOC(=O)CN NO15347 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.1 CCOC(=O)CO NO11386 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.1 CCOC(=O)NN NO11383 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNC(=O)CC#N NO18404 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 COC(=N)CCCl DY799605 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 COC(=O)CC=O DY740485 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 COC(=O)CCCl DY741043 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 COC(=O)CCN NO22266 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 COC(=O)CSC DY460536 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 COCC(=O)NN NO11580 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 O=C(CCl)NCO NO14580 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CC(=O)CCCBr NO10305 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 CC(=O)CCCCl NO10334 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CC(=O)NCCCl DY33011 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CCCCC(C)O DY740779 [1,0,0,0,0,0|1,0,2]=4 31 B6R0.4 CCCC[SiH](C)C DY500283 [1,0,0,0,0,0|2,1,0]=4 32 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.4 CSCCC(C)=O DY740809 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 NCCCC(=O)O NO14998 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 NCCNC(=O)O DY822495 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 O=C(O)CCCBr NO14053 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 CCCCSCC DY740893 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.6 CCCOCCO DY740785 [1,0,0,0,0,0|1,0,1]=3 39 B8R0.1 C#CCCC(=O)CCC DY822712 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.1 C=CCOC(=O)CC#N DY518301 [0,1,0,0,0,0|0,0,3]=4 41 B8R0.1 CCC#CC(=O)OCC DY560139 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.1 CCOC(=O)CCCCl DY822383 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.1 CCOC(=O)CCCO DY111642 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.1 CCOCC(=O)OCC DY461136 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.1 CNCC(=O)NCCO DY741259 [0,1,0,0,0,0|2,0,0]=3 46 B8R0.3 CCOC(=O)C(=O)CBr NO18430 [0,1,0,0,0,0|3,0,0]=4 47 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.6 CCCCNC(=O)CCl NO11766 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.6 NCC(=O)NCCCO DY741271 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.8 CNCCC(=O)N(C)C DY606171 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.9 C=CC(=O)OCC(C)C DY822663 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.9 C=CC(=O)OCC(C)O NO21600 [0,1,0,0,0,0|0,0,2]=3 53 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.19 CC[C@@H](O)C[C@H](O)CC DY571299 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.19 COC(=O)OC(=O)OC DY528549 [0,1,0,0,0,0|2,0,1]=4 60 B8R1.1 CCC1COC(=O)N1 DY607707 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.1 N#C[C@@H]1CCC(=O)C1 DY533241 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.1 NCC1CNC(=O)O1 DY529719 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.1 NC[C@H]1CNC(=O)C1 DY529623 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.1 O=C1C=C[C@@H](CO)O1 DY20390 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.1 O=C1C[C@H](CF)CO1 DY822230 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.1 O=C1NC[C@@H](CO)O1 DY583311 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.1 O=C1N[C@@H](CO)CO1 DY524079 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.2 CCC1CNCCO1 DY731791 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.2 CC[C@H]1CCCCN1 DY624979 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.2 COC1=CCCCC1 DY789345 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.2 COC1=NCCCC1 DY711079 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,0,0,1,0,0|0,0,0]=1 78 B8R1.3 CC1CCC(O)CC1 DY562059 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.3 CC1CCN(N)CC1 DY535737 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,0,0,1,0,0|2,0,0]=3 81 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.3 NC1CCC(=O)NC1 DY444382 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.3 O=C1CCC(=O)CC1 NO19236 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.3 O=C1CCC(=O)NC1 NO21155 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.3 O=C1COC(=O)CN1 DY549675 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.3 O=C1COC(=O)CO1 DY758720 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.5 CC1=NCCCN1C DY20695 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.5 CC1NCCNC1=O DY543543 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.5 CN1CCCNC1=O DY502023 [0,0,0,1,0,0|2,0,0]=3 95 B8R1.5 CN1CCNCC1=O DY734647 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.5 CN1CCNCC1=O NO17040 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.5 CN1CCNCC1=O NO18390 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.5 C[C@H]1CCCC[C@H]1N DY540861 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.5 N[C@H]1CCCNC1=O DY106744 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.5 N[C@H]1CCCNC1=O DY554319 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.5 O=C1CCCCC1=O NO20486 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.5 O=C1CCCCC1Br DY573183 [0,0,0,1,0,0|2,0,0]=3 104 B8R1.5 O=C1CCCCN1O DY822177 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.5 O=C1CCOCC1F DY458969 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.5 O=C1NCCCC1O NO19689 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.5 O=C1OCCCC1O NO16147 [0,0,0,1,0,0|1,0,0]=2 109 B8R1.22 C=C1OCCCCO1 DY567825 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.22 O=C1CCCCCC1 DY461238 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.22 O=C1CCCNCC1 NO19096 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.22 O=C1CCNCCN1 NO18857 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.22 O=C1OCCCCO1 DY770703 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.38 CCC(=O)C1COC1 DY526161 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.38 CNC(=O)C1CCC1 DY514599 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.38 COC(=O)C1CNC1 NO13402 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.38 COC(=O)[C@@H]1CCN1 DY625939 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.38 COC(=O)[C@H]1CCN1 DY565389 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.38 COC(=O)[C@H]1CCN1 DY627322 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.38 O=C(CBr)C1CCC1 DY742339 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.40 NCC(=O)NC1CC1 DY511215 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.50 CC1=CNC(=O)C1C DY799551 [0,0,0,1,0,0|1,0,2]=4 123 B8R1.50 CC1C(=O)CCC1=O NO21655 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.52 CC1(CO)CCCO1 DY585353 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.52 CCC1(N)CCCC1 DY603592 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.83 COC(=O)C1CC1Br DY430638 [0,0,0,1,0,0|3,0,0]=4 127 B5R0.1 C=C(C)CCBr NO14513 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CC(=O)O[Ru]Cl DY577947 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 CCCC(=O)[O-] DY822775 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.1 CCCC(C)=O NO21731 [2,0,0,0,0,0|0,0,0]=2 131 B5R0.1 CCCC(C)O DY741013 [2,0,0,0,0,0|0,0,2]=4 132 B5R0.1 CCNC(C)=O DY564051 [2,0,0,0,0,0|1,0,0]=3 133 B5R0.1 CCOC(C)=N DY500026 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 CNCC(=O)O NO18595 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 COCC(=O)O NO11579 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 CSCC(=O)O DY543879 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 CSCC(N)=O NO12608 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 NCCC(=O)O NO13499 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 O=C(O)OCCl DY523719 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.2 CCC#CCC DY740797 [2,0,0,0,0,0|0,0,2]=4 141 B5R0.2 CCCCCBr NO20657 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.2 CCOCCBr NO21396 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.2 CCO\C=C\Br DY456448 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.2 CC\C=C\CO DY527871 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.2 C\C=C\CCO DY799773 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.3 CCC(=O)OC DY460566 [2,0,0,0,0,0|0,0,0]=2 147 B5R0.3 CCN(O)CC DY551655 [2,0,0,0,0,0|1,0,1]=4 148 B5R0.3 CNC(=O)CCl DY21094 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.3 CNC(=O)CN DY437710 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.3 CNC(=O)CN DY542271 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.3 COC(=O)CF DY822286 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.3 COC(=O)CN NO15045 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.3 COC(=O)CO NO19433 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.3 COC(=O)CS DY20578 [2,0,0,0,0,0|1,0,0]=3 155 B5R0.3 COC(=O)NN DY20825 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.3 O=C(CBr)CBr DY572985 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.3 O=C(CO)CO NO11245 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.2 CC(C)CC(=O)CN DY540483 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.2 CC(C)NC(=O)CN DY605375 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.2 CC(C)OC(=O)CO NO11522 [1,1,0,0,0,0|1,0,0]=3 161 B7R0.2 CCC(=O)CC(C)=O NO21124 [1,1,0,0,0,0|0,0,1]=3 162 B7R0.2 CCC(=O)OC(C)=O NO16382 [1,1,0,0,0,0|0,0,1]=3 163 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [1,1,0,0,0,0|1,0,0]=3 164 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.2 COC(=O)C[C@H](C)N DY625921 [1,1,0,0,0,0|1,0,0]=3 166 B7R0.2 COC(=O)C[C@H](C)O DY559029 [1,1,0,0,0,0|1,0,0]=3 167 B7R0.5 CCCC(=O)N(C)C DY584357 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.5 CCNC(=O)C(C)Cl DY605068 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.5 CCOC(=O)C(Br)Br DY584292 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.5 CCOC(=O)C(C)C NO11388 [1,1,0,0,0,0|0,0,0]=2 171 B7R0.5 CCOC(=O)C(C)N DY628935 [1,1,0,0,0,0|0,0,0]=2 172 B7R0.5 CCOC(=O)C(F)F NO11385 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.5 CCOC(=O)C(N)=S NO11392 [1,1,0,0,0,0|1,0,1]=4 174 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [1,1,0,0,0,0|0,0,0]=2 175 B7R0.5 CN(C)C(=O)CCO DY606315 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.7 CC#CC(=O)OCC NO10117 [1,1,0,0,0,0|0,0,1]=3 177 B7R0.7 CCNC(=O)CC#N DY740641 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.7 CCOC(=O)CC=O DY586084 [1,1,0,0,0,0|0,0,1]=3 179 B7R0.7 CCOC(=O)CCN NO14330 [1,1,0,0,0,0|0,0,0]=2 180 B7R0.7 CCOC(=O)CNC NO17068 [1,1,0,0,0,0|0,0,0]=2 181 B7R0.7 CCOC(=O)CNN NO19987 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.7 CCOC(=O)COC NO11389 [1,1,0,0,0,0|0,0,0]=2 183 B7R0.7 CCOC(=O)\C=C\Br DY822474 [1,1,0,0,0,0|0,0,2]=4 184 B7R0.7 O=C(CCCl)CCCl NO19912 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.10 C=C(CC)C(=O)OC DY541119 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.10 CCC(Br)C(=O)OC NO14136 [1,1,0,0,0,0|1,0,0]=3 187 B7R0.10 CNC(=O)[C@H](C)NC DY608115 [1,1,0,0,0,0|2,0,0]=4 188 B7R0.10 COC(=O)C(Br)CBr DY740875 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.10 COC(=O)C(C)OC DY822756 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.10 COC(=O)C(F)CO NO17081 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.10 COC(=O)C(N)CCl NO22615 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.10 COC(=O)C(N)CO NO16785 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.10 COC(=O)[C@H](N)CO NO16778 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.12 CCOC(CC)CN DY605537 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.4 CC(=O)CCCCBr NO10627 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.4 CC(C)OCCCN DY546693 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.4 CCCCCC(=O)Cl DY822275 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.4 CCCOCC(=O)O DY425744 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.4 CCCSCC(N)=O DY742801 [1,1,0,0,0,0|1,1,0]=4 203 B7R0.4 CNCCCC(=O)O DY702793 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.4 O=C(Cl)CCCCCl DY460464 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.8 CCCOS(=O)(=O)O DY798855 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.1 CCCOCCCN DY740653 [1,1,0,0,0,0|0,0,1]=3 207 B7R0.1 COCCOCCBr DY559431 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.1 COCCOCCCl DY740401 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.1 OCCOCCCCl DY740305 [1,1,0,0,0,0|1,0,1]=4 210 B9R0.5 CCCCCC(=O)OCC DY822461 [0,2,0,0,0,0|1,0,0]=3 211 B9R0.5 CCCCNC(=O)CCN DY741211 [0,2,0,0,0,0|1,0,0]=3 212 B9R0.5 CCNCCC(=O)OCC DY703477 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.5 CCOC(=O)CCCCBr NO13726 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.5 CCOC(=O)CCCCN NO14354 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.5 CCO\C=C\C(=O)OCC DY20656 [0,2,0,0,0,0|1,0,1]=4 216 B9R0.18 O=C(CCCCl)CCCCl NO14305 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.34 CCOC(=O)CC(=O)CC NO11391 [0,2,0,0,0,0|1,0,1]=4 218 B9R0.34 CCOC(=O)CC(O)CBr DY799257 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.34 CCOC(=O)C[C@H](O)CC DY822251 [0,2,0,0,0,0|1,0,0]=3 220 B9R0.35 CCCC(=O)C(=O)OCC NO14582 [0,2,0,0,0,0|1,0,0]=3 221 B9R0.35 CCCC(=O)C(O)CCC DY556689 [0,2,0,0,0,0|1,0,0]=3 222 B9R0.35 CCOC(=N)C(=O)OCC NO13440 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.35 CCOC(=O)C(=O)OCC DY41888 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.23 C=C(CC(C)C)C(=O)OC DY547623 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.23 CCC(=O)C(C)CN(C)C NO12103 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.23 COC(=O)[C@@H](N)CC(C)C NO22260 [0,2,0,0,0,0|2,0,0]=4 227 B9R0.24 O=C(CCl)NCC(O)CO DY742681 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.46 COC(=O)CCCCCBr DY523155 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.46 COC(=O)CCCCCN NO11662 [0,2,0,0,0,0|2,0,0]=4 230 B9R0.46 COCCCNC(=O)CN DY741265 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.47 C=C(C)C(=O)NCCCN NO11712 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.47 CCCCOC(=O)C(C)=O DY792807 [0,2,0,0,0,0|0,0,1]=3 233 B9R0.47 CCCCOC(=O)C(C)C DY583197 [0,2,0,0,0,0|0,0,0]=2 234 B9R0.47 CCCCOC(=O)[C@H](C)N NO15628 [0,2,0,0,0,0|0,0,0]=2 235 B9R0.3 CC(C)(C)C(=O)NCCO DY551349 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.7 CC(C)C(=O)CCN(C)C DY793521 [0,2,0,0,0,0|2,0,0]=4 237 B9R0.13 CCCCC(CC)C(=O)[O-] DY740359 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.13 CCCCC(CC)C(=O)[O-] DY822436 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.13 CCCCC(CC)C(=O)[O-] DY822437 [0,2,0,0,0,0|1,0,1]=4 240 B9R0.42 CCC(=O)OC(Cl)C(C)C NO20670 [0,2,0,0,0,0|0,0,0]=2 241 B9R0.21 CNC(=O)CCC(C)(C)N DY610458 [0,2,0,0,0,0|2,0,0]=4 242 B7R1.1 CCC1CCCN1 DY738230 [1,0,0,1,0,0|1,0,1]=4 243 B7R1.1 COC1=NCCC1 NO10423 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.2 CC1=CC(=O)CC1 NO22356 [1,0,0,1,0,0|0,0,2]=4 245 B7R1.2 CC1=CCC(=O)O1 DY562161 [1,0,0,1,0,0|0,0,2]=4 246 B7R1.2 CC1=NCC(=O)O1 DY774159 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.2 CC1CCC(=O)N1 DY505299 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.2 CN1CCC(=O)C1 NO20760 [1,0,0,1,0,0|1,0,0]=3 249 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [1,0,0,1,0,0|2,0,0]=4 250 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.2 O=C1CC(O)CN1 NO14706 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.2 O=C1CCC(=O)C1 DY552447 [1,0,0,1,0,0|1,0,1]=4 257 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.3 BrC1CCCCC1 NO11079 [1,0,0,1,0,0|1,0,1]=4 260 B7R1.3 O=C1CCCCO1 NO11208 [1,0,0,1,0,0|0,0,0]=2 261 B7R1.3 O=C1CCCNC1 DY557319 [1,0,0,1,0,0|1,0,0]=3 262 B7R1.3 O=C1CCCNC1 NO17767 [1,0,0,1,0,0|1,0,0]=3 263 B7R1.3 O=C1CCOCC1 NO13380 [1,0,0,1,0,0|1,0,0]=3 264 B7R1.3 O=C1CCSCC1 NO18797 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.3 O=C1CNCCN1 NO19142 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.3 O=C1COCCN1 NO11697 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.3 O=C1COCCO1 DY20725 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.3 O=S1CCCCC1 DY822282 [1,0,0,1,0,0|1,0,0]=3 269 B7R1.3 O=S1CCNCC1 DY570699 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.4 CC1CCCC1O DY757267 [1,0,0,1,0,0|0,0,2]=4 271 B7R1.4 CC1CCOC1=O DY759320 [1,0,0,1,0,0|0,0,0]=2 272 B7R1.4 CC1OCCC1=O NO14135 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.4 C[C@@H]1CCNC1=O DY546075 [1,0,0,1,0,0|1,0,0]=3 274 B7R1.4 C[C@H]1CCNC1=O DY560337 [1,0,0,1,0,0|1,0,0]=3 275 B7R1.4 NN1CCOC1=O DY774063 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.4 N[C@@H]1CCOC1=O NO18578 [1,0,0,1,0,0|1,0,0]=3 277 B7R1.4 N[C@H]1CCOC1=O DY541269 [1,0,0,1,0,0|1,0,0]=3 278 B7R1.4 O=C1CCCC1Cl DY567621 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.4 O=C1NCCC1O DY444274 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.4 O=C1NCC[C@@H]1O NO19486 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.4 O=C1NCC[C@H]1O DY115910 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.21 CCOC1(O)CC1 NO16017 [1,0,0,1,0,0|0,0,2]=4 283 B7R1.22 CCC(=O)C1CC1 DY566457 [1,0,0,1,0,0|0,0,0]=2 284 B7R1.22 CC[C@H](N)C1CC1 DY585988 [1,0,0,1,0,0|1,0,1]=4 285 B7R1.22 O=C(CO)C1CC1 DY758275 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.18 O=C(O)C1CCC1 NO22786 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.24 C1CNCCOC1 NO17007 [1,0,0,1,0,0|1,0,1]=4 288 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.2 O=C1COCC(CO)N1 NO17255 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.7 CCC[C@H]1COC(=O)C1 DY426027 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.7 NCCC1CCC(=O)N1 DY667478 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.8 NCCC1CCCCO1 DY553407 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.8 OCC[C@H]1CCCCO1 DY527163 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.12 CCCOC1CCNC1 DY585375 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.15 CCC1CNCCC1=O NO17950 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.15 CCC1NCCCC1=O DY636158 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.15 COC1CCCCC1=O DY822546 [0,1,0,1,0,0|1,0,0]=3 298 B9R1.15 COC1CCCNC1=O NO12712 [0,1,0,1,0,0|1,0,0]=3 299 B9R1.15 C[C@H]1CCCCN1N=O DY794955 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.15 N#CC1CCCCC1=O DY33325 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.15 O=C1CCCCC1CO DY587110 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.22 O=C1C[C@@H](O)[C@@H](CBr)O1 DY742837 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 DY549897 [0,1,0,1,0,0|1,0,0]=3 304 B9R1.33 O=C1OCCN1CCCl DY774075 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.48 NC1CCCNC(=O)C1 DY743197 [0,1,0,1,0,0|1,0,0]=3 306 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.48 O=C1CCCCC(=S)N1 DY568851 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.49 CN1CCCC(=O)CC1 NO13899 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,1,0,1,0,0|1,0,0]=3 310 B9R1.50 O=C1CCCCCCN1 NO21316 [0,1,0,1,0,0|1,0,0]=3 311 B9R1.69 CC1CNC(=O)C(C)C1 DY636400 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.69 CC1CNC(=O)CC1=O NO12978 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.69 CN1CC(N)CCC1=O DY603454 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.69 C[C@@H]1CNC(=O)[C@@H](C)N1 DY515061 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.73 CCOC(=O)C1CNC1 NO11347 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.100 CCCNC(=O)C1CC1 DY757753 [0,1,0,1,0,0|1,0,0]=3 317 B9R1.100 NCCNC(=O)C1CC1 DY512583 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.3 CC1C(=O)CCCC1=O NO10132 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.3 CC1NCCN(C)C1=O DY512001 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.5 NC1CCCCNC1=O NO15569 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.5 NC1CCCCNC1=O NO15816 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.5 N[C@H]1CCCCNC1=O DY545019 [0,1,0,1,0,0|1,0,0]=3 324 B9R1.5 O=C1NCCCCC1Br DY550035 [0,1,0,1,0,0|1,0,0]=3 325 B9R1.11 COC(=O)C1=CCCC1 NO18911 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.11 COC(=O)C1CCCN1 NO11440 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.11 COC(=O)[C@@H]1CCCN1 NO18447 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.11 COC(=O)[C@@H]1CCCO1 DY576465 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.11 COC(=O)[C@H]1CCNC1 DY103933 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.11 O=C(CBr)C1CCCO1 DY585542 [0,1,0,1,0,0|1,0,0]=3 331 B9R1.11 O=C(CCl)C1CCCC1 DY822737 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.37 CC1C(=O)OC(=O)N1C DY774141 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.82 COC(=O)C1CC(N)C1 NO15952 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.82 COC(=O)[C@H]1C[C@H](C)O1 DY585926 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO DY573705 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.101 COC(=O)[C@H](N)C1CC1 DY520899 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.132 CN1C(=O)CCC1CO DY102373 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.132 CN1C(=O)CC[C@@H]1CO DY738224 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.186 COC(=O)C1(C)CCC1 DY570435 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.186 COC(=O)C1(N)CCC1 NO11175 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.1 CNC1CCC(=O)CC1 NO14610 [0,1,0,1,0,0|1,0,0]=3 342 B9R1.1 COC1CCC(=O)CC1 NO14437 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.79 CCC(=O)NC1CNC1 DY585826 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.79 COC(=O)NC1CNC1 DY720544 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N DY505035 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.118 CCC1(N)CCCOC1 DY508382 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.23 CC1N=C(CN)OC1=O DY774165 [0,1,0,1,0,0|1,0,1]=4 348 B9R1.23 CN1C[C@H](CN)OC1=O DY774135 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.35 CC(C)C1CNC(=O)C1 DY578559 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.35 CC(C)[C@H]1COC(=O)N1 NO22803 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.35 O=C1CCC(C(=O)O)O1 DY759482 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 DY625441 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.40 CC1(C)COCCC1=O NO16380 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.40 CC1(C)OCCCC1=O DY510452 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.40 O=C1NCCCC1(Br)Br NO18534 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.10 C=C1CCC(C)(C)CC1 DY105700 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.10 CC1(C)C=CC(=O)CC1 DY453634 [0,1,0,1,0,0|1,0,1]=4 358 B9R1.10 CC1(C)CCC(=O)CC1 NO22420 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.10 CC1(C)CCC(=O)NC1 DY638878 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.10 CC1(O)CCC(=O)CC1 NO14351 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.10 CC1(O)CCC(=O)NC1 DY639130 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.10 O=C1CCC(F)(F)CC1 DY10539 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.138 CC1(C)COC(=O)C1O DY572043 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.185 COC(=O)C1CC1(C)C DY758545 [0,1,0,1,0,0|2,0,0]=4 365 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,0,0,2,0,0|2,0,0]=4 366 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [0,0,0,2,0,0|1,0,0]=3 367 B9R2.139 O=C1NC2(CC2)CO1 DY575961 [0,0,0,2,0,0|2,0,0]=4