0 B10R0.74 CCCCCCCC(C)CN Z415655116 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.74 CCCCCCNC(=O)CCl Z147647954 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.74 CCOCCOCC(O)CN Z285181508 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.74 CNC(=O)CCCCCCN Z1457934838 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.2 CCCCCCCC(=O)O Z104495238 [1,0,0,0,0,0|1,0,1]=3 5 B9R0.2 CCCCCOCC(=O)O Z409357548 [1,0,0,0,0,0|2,0,1]=4 6 B9R0.2 CCCCSCCC(=O)O Z149304844 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 CCCNCCCN(C)C Z334950180 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.2 CCNCCCCC(=O)O Z2893830564 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.2 NCCCCCCC(=O)O Z56896351 [1,0,0,0,0,0|2,0,1]=4 10 B9R0.45 CCCCCCCCCO Z104476100 [1,0,0,0,0,0|1,0,0]=2 11 B9R0.45 CCCCCCCNC=O Z1203732044 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.45 CCCCCCNCCO Z137800948 [1,0,0,0,0,0|2,0,0]=3 13 B9R0.45 CCCCOCCCCO Z993012624 [1,0,0,0,0,0|2,0,0]=3 14 B9R0.45 CNCCOCCCOC Z839536458 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.45 COCCCNCCOC Z235637138 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.45 COCCOCCCCN Z285178626 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.45 NCCCCCCCCN Z1203577927 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.45 NCCCCCCCCO Z4745386600 [1,0,0,0,0,0|2,0,0]=3 19 B9R0.45 OCCCCCOCCO Z1897250794 [1,0,0,0,0,0|3,0,0]=4 20 B9R0.46 CCCCCCC(C)CO Z1238840360 [1,0,0,0,0,0|2,0,0]=3 21 B9R0.46 CCCCCCC(C)NN Z1691545122 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.46 CCCCCCC(C)OC Z1416182763 [1,0,0,0,0,0|2,0,0]=3 23 B9R0.46 CCCCCCC(N)CC Z5869944669 [1,0,0,0,0,0|1,0,0]=2 24 B11R0.4 CCOC(=O)CCCCCCN Z444311558 [0,1,0,0,0,0|1,0,2]=4 25 B11R0.40 COC(=O)CCCCCCCN Z1416203196 [0,1,0,0,0,0|1,0,2]=4 26 B11R0.154 CCCCCN(C)CC(O)CN Z409445498 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.1 C#CCCN1CCC(CC1)O Z3066909710 [0,0,0,1,0,0|1,0,2]=4 28 B11R1.1 CCCCC1CCC(CC1)N Z839028544 [0,0,0,1,0,0|1,0,0]=2 29 B11R1.1 CCCCN1CCC(CC1)N Z444349880 [0,0,0,1,0,0|2,0,0]=3 30 B11R1.1 CCCNC1CCN(CC1)C Z4369148260 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.1 COCCN1CCC(CC1)N Z285182368 [0,0,0,1,0,0|3,0,0]=4 32 B11R1.1 N#CCCN1CCC(CC1)O Z53113470 [0,0,0,1,0,0|2,0,1]=4 33 B11R1.1 NC1CCN(CC1)CCCF Z5809567845 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.1 NCCCN1CCC(CC1)O Z271005872 [0,0,0,1,0,0|2,0,0]=3 35 B11R1.25 COC(=O)CCC1CCCC1 Z18434654 [0,0,0,1,0,0|1,0,2]=4 36 B11R1.27 CCCCCC1CCC(=O)O1 Z1255430984 [0,0,0,1,0,0|1,0,2]=4 37 B11R1.27 COCCNC1CCC(C1)C Z1233221273 [0,0,0,1,0,0|3,0,0]=4 38 B11R1.40 CC(C=O)CC1CCCCC1 Z1238838137 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.40 CC(CO)CC1CCCCC1 Z1238840407 [0,0,0,1,0,0|2,0,0]=3 40 B11R1.40 CC(CO)CC1CCNCC1 Z4511729558 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.40 CC(CO)CC1CCOCC1 Z1238840447 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.40 CCC(=O)CC1CCCCC1 Z992965580 [0,0,0,1,0,0|0,0,2]=3 43 B11R1.40 CCC(N)CN1CCOCC1 Z445128586 [0,0,0,1,0,0|3,0,0]=4 44 B11R1.40 CCC(O)CN1CCNCC1 Z600449612 [0,0,0,1,0,0|2,0,0]=3 45 B11R1.40 NC(CO)CC1CCCCC1 Z1201620851 [0,0,0,1,0,0|2,0,0]=3 46 B11R1.40 NC(CO)CC1CCCCO1 Z4777204053 [0,0,0,1,0,0|3,0,0]=4 47 B11R1.40 NCC(=O)CC1CCCCC1 Z2756265233 [0,0,0,1,0,0|1,0,2]=4 48 B11R1.40 NCC(O)CC1CCCCC1 Z5195335934 [0,0,0,1,0,0|1,0,0]=2 49 B11R1.40 NCC(O)CN1CCCCC1 Z234896811 [0,0,0,1,0,0|2,0,0]=3 50 B11R1.40 NC[C@@H](O)CN1CCOCC1 Z1255399817 [0,0,0,1,0,0|3,0,0]=4 51 B11R1.40 O=C(CCl)CC1CCCCC1 Z1255500367 [0,0,0,1,0,0|1,0,2]=4 52 B11R1.40 OC[C@@H](O)CN1CCSCC1 Z2945860299 [0,0,0,1,0,0|3,0,0]=4 53 B11R1.101 CN1CCCCCNCCC1 Z2941505335 [0,0,0,1,0,0|3,0,0]=4 54 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [0,0,0,1,0,0|1,0,0]=2 55 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [0,0,0,1,0,0|1,0,2]=4 56 B11R1.189 CCC1CCCN(C1)CCO Z432066516 [0,0,0,1,0,0|3,0,0]=4 57 B11R1.189 CCN1CCCC(C1)CCN Z4763563512 [0,0,0,1,0,0|3,0,0]=4 58 B11R1.222 CC1CCCCC1C(=O)CN Z3689422140 [0,0,0,1,0,0|1,0,2]=4 59 B11R1.222 CCS(=O)C1CCCCC1N Z1238786833 [0,0,0,1,0,0|2,0,1]=4 60 B11R1.228 CC1CCCN1C[C@H](O)CO Z2947223707 [0,0,0,1,0,0|2,0,0]=3 61 B11R1.410 NC1(CCCCCCC1)CO Z2738576692 [0,0,0,1,0,0|2,0,0]=3 62 B11R1.410 NCC1(CCCCCCC1)O Z4403452657 [0,0,0,1,0,0|1,0,0]=2 63 B11R1.852 CC(CN)N1CCCCCC1 Z228568778 [0,0,0,1,0,0|3,0,0]=4 64 B11R1.852 O=C(CCl)C1CCCCCC1 Z1238572144 [0,0,0,1,0,0|1,0,2]=4 65 B8R0.4 C#CCCCCCCO Z1198157198 [2,0,0,0,0,0|0,0,2]=4 66 B8R0.4 CCCCCCCCO Z104473500 [2,0,0,0,0,0|0,0,0]=2 67 B8R0.4 CCCCCNCCO Z137800944 [2,0,0,0,0,0|1,0,0]=3 68 B8R0.4 CCCCNCCCC Z102766286 [2,0,0,0,0,0|1,0,0]=3 69 B8R0.4 CCCCNCCCO Z102766210 [2,0,0,0,0,0|1,0,0]=3 70 B8R0.4 COCCCNCCO Z382722010 [2,0,0,0,0,0|2,0,0]=4 71 B8R0.4 COCCOCCCO Z1080358808 [2,0,0,0,0,0|2,0,0]=4 72 B8R0.4 NCCCCCCCN Z275166586 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.4 NCCCCCCCO Z3016956569 [2,0,0,0,0,0|1,0,0]=3 74 B8R0.4 OCCCNCCCO Z104684334 [2,0,0,0,0,0|2,0,0]=4 75 B8R0.7 CC(C)CCCCCO Z1198149583 [2,0,0,0,0,0|2,0,0]=4 76 B8R0.7 CCCCCCC(=O)O Z104474412 [2,0,0,0,0,0|1,0,1]=4 77 B8R0.7 CCCCCCC(C)N Z104477186 [2,0,0,0,0,0|1,0,0]=3 78 B8R0.7 CNCCCCC(C)C Z5530305220 [2,0,0,0,0,0|2,0,0]=4 79 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [1,1,0,0,0,0|1,0,1]=4 80 B10R0.4 CCCCCCCCC(=O)O Z104473336 [1,1,0,0,0,0|1,0,1]=4 81 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [1,1,0,0,0,0|1,0,1]=4 82 B10R0.4 CCCCCCOCC(=O)O Z362795556 [1,1,0,0,0,0|1,0,1]=4 83 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [1,1,0,0,0,0|1,0,1]=4 84 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [1,1,0,0,0,0|1,0,1]=4 85 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [1,1,0,0,0,0|1,0,1]=4 86 B10R0.6 CCCCCC(C)CC(=O)O Z1198151370 [1,1,0,0,0,0|1,0,1]=4 87 B10R0.6 CCCCCC(O)CC(=O)O Z982131990 [1,1,0,0,0,0|1,0,1]=4 88 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [1,1,0,0,0,0|1,0,1]=4 89 B10R0.75 CCCCCCC(C)C(=O)O Z756390482 [1,1,0,0,0,0|1,0,1]=4 90 B10R0.78 CCCCC(O)CCC(=O)O Z838959646 [1,1,0,0,0,0|1,0,1]=4 91 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [1,1,0,0,0,0|1,0,1]=4 92 B10R0.1 CCCCCNC(C)CCC Z138670752 [1,1,0,0,0,0|1,0,0]=3 93 B10R0.71 C=CCCCCCCCCN Z2083000288 [1,1,0,0,0,0|0,0,2]=4 94 B10R0.71 CCCCCCCCCC=O Z104477054 [1,1,0,0,0,0|0,0,1]=3 95 B10R0.71 CCCCCCCCCCN Z362810900 [1,1,0,0,0,0|0,0,0]=2 96 B10R0.71 CCCCCCCCCNC Z752371288 [1,1,0,0,0,0|0,0,0]=2 97 B10R0.71 CCCCCNCCCOC Z137847940 [1,1,0,0,0,0|1,0,0]=3 98 B10R0.71 CCCCOCCOCCN Z362798458 [1,1,0,0,0,0|2,0,0]=4 99 B10R0.91 CCCCNC(C)CCCC Z446072116 [1,1,0,0,0,0|1,0,0]=3 100 B12R0.1 CCOC(=O)CCCCCCCN Z1295580418 [0,2,0,0,0,0|0,0,2]=4 101 B12R0.4 CCCCCCCC(N)CC(=O)O Z2732205949 [0,2,0,0,0,0|1,0,1]=4 102 B12R0.239 CCCCCC(O)CC(=O)OCC Z982131426 [0,2,0,0,0,0|0,0,2]=4 103 B12R0.277 CNCC(O)COCCOC(C)C Z330820488 [0,2,0,0,0,0|2,0,0]=4 104 B12R0.176 CCCS(=O)(=O)NCCC(O)CC Z1432021767 [0,2,0,0,0,0|2,0,0]=4 105 B10R1.10 CC1CCCC(C1)CCO Z1217184154 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.10 CC1CCCC(N1)CCO Z1203733624 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.10 CCCN1CCCC(C1)O Z197276296 [1,0,0,1,0,0|1,0,0]=3 108 B10R1.10 CCNC1CCCC(C1)N Z5062701902 [1,0,0,1,0,0|2,0,0]=4 109 B10R1.10 CCSC1CCCC(C1)N Z1245789153 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.10 COCC1CNCC(O1)C Z1171972190 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.10 OCCN1CCCC(C1)O Z197276438 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.16 CCCCC1CCC(C1)N Z1233210350 [1,0,0,1,0,0|1,0,0]=3 113 B10R1.18 CC(C)CC1CCCNC1 Z1415893887 [1,0,0,1,0,0|2,0,0]=4 114 B10R1.18 CC(C)CC1CCNCC1 Z1416282958 [1,0,0,1,0,0|2,0,0]=4 115 B10R1.18 CC(C)NC1CCCCC1 Z166605468 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.18 CC(N)CC1CCCCC1 Z3235020113 [1,0,0,1,0,0|1,0,0]=3 117 B10R1.18 CC(N)CC1CCOCC1 Z1318147465 [1,0,0,1,0,0|2,0,0]=4 118 B10R1.18 CC(O)CC1CCCCN1 Z1203731039 [1,0,0,1,0,0|1,0,0]=3 119 B10R1.18 CC(O)CC1CCNCC1 Z3269078967 [1,0,0,1,0,0|1,0,0]=3 120 B10R1.18 CC(O)CC1COCCN1 Z1646010224 [1,0,0,1,0,0|2,0,0]=4 121 B10R1.18 CC(O)CN1CCNCC1 Z600448684 [1,0,0,1,0,0|2,0,0]=4 122 B10R1.18 C[C@@H](O)CN1CCNCC1 Z1203833714 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.18 C[C@@H](O)CN1CCOCC1 Z1585898729 [1,0,0,1,0,0|2,0,0]=4 124 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [1,0,0,1,0,0|1,0,1]=4 125 B10R1.24 CCOCCN1CC(C1)O Z1118606507 [1,0,0,1,0,0|2,0,0]=4 126 B10R1.38 CN[C@@H]1CCCC[C@@]1(C)O Z2608856450 [1,0,0,1,0,0|1,0,0]=3 127 B10R1.39 CCC1CCCC1C(=O)O Z1205495847 [1,0,0,1,0,0|1,0,1]=4 128 B10R1.61 CC(=O)C1CCCCC1C Z1276728280 [1,0,0,1,0,0|0,0,2]=4 129 B10R1.61 CC(C)C1CCCCC1O Z992949104 [1,0,0,1,0,0|2,0,0]=4 130 B10R1.64 CC1CCCC1CC(=O)O Z1198168867 [1,0,0,1,0,0|1,0,1]=4 131 B10R1.66 CC(C)CCC1CCCN1 Z351728968 [1,0,0,1,0,0|2,0,0]=4 132 B10R1.66 CC(C)CNC1CCCC1 Z90515478 [1,0,0,1,0,0|2,0,0]=4 133 B10R1.66 CC(N)CCC1CCCC1 Z1255523280 [1,0,0,1,0,0|1,0,0]=3 134 B10R1.66 CC(N)CCC1CCCO1 Z979440136 [1,0,0,1,0,0|2,0,0]=4 135 B10R1.66 CC(N)CCN1CCCC1 Z316119484 [1,0,0,1,0,0|2,0,0]=4 136 B10R1.66 CC(O)COC1CCOC1 Z1138840296 [1,0,0,1,0,0|2,0,0]=4 137 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [1,0,0,1,0,0|1,0,1]=4 138 B10R1.78 NC1CCCCCCCC1 Z3491522566 [1,0,0,1,0,0|1,0,0]=3 139 B10R1.78 O=C1CCCCCCCC1 Z1255382938 [1,0,0,1,0,0|0,0,2]=4 140 B10R1.177 CCCCCOCC1CO1 Z409358140 [1,0,0,1,0,0|1,0,0]=3 141 B10R1.348 CC(=O)C1CCCCCC1 Z1255452291 [1,0,0,1,0,0|0,0,2]=4 142 B10R1.348 CC(C)C1CCCCCN1 Z1623864213 [1,0,0,1,0,0|2,0,0]=4 143 B10R1.348 CC(C)C1CCCNCC1 Z1197904026 [1,0,0,1,0,0|2,0,0]=4 144 B10R1.348 CC(O)C1CCCCCC1 Z1259295583 [1,0,0,1,0,0|0,0,0]=2 145 B10R1.348 C[C@@H](N)C1CCCCCC1 Z1664966379 [1,0,0,1,0,0|1,0,0]=3 146 B10R1.348 C[C@@H](O)C1CCCCCC1 Z1259297220 [1,0,0,1,0,0|0,0,0]=2 147 B10R1.348 C[C@H](N)C1CCCCCC1 Z1675167214 [1,0,0,1,0,0|1,0,0]=3 148 B10R1.348 C[C@H](O)C1CCCCCC1 Z1259297219 [1,0,0,1,0,0|0,0,0]=2 149 B10R1.4 CC1CCCCN1CCN Z271005826 [1,0,0,1,0,0|2,0,0]=4 150 B10R1.4 CCCC1CCCCC1O Z854050598 [1,0,0,1,0,0|1,0,0]=3 151 B10R1.4 CCCC1NCCCC1C Z1267773702 [1,0,0,1,0,0|1,0,0]=3 152 B10R1.4 CCNC1CCCCC1C Z2143574194 [1,0,0,1,0,0|1,0,0]=3 153 B10R1.4 CCSC1CCCCC1N Z1238713176 [1,0,0,1,0,0|2,0,0]=4 154 B10R1.4 CN1CCCCC1CCO Z139565496 [1,0,0,1,0,0|2,0,0]=4 155 B10R1.4 NCC[C@@H]1CCCC[C@@H]1O Z2915288574 [1,0,0,1,0,0|2,0,0]=4 156 B10R1.4 NCC[C@@H]1CCCC[C@H]1O Z3993260243 [1,0,0,1,0,0|2,0,0]=4 157 B10R1.5 CCN1CCCC1CNC Z139573692 [1,0,0,1,0,0|2,0,0]=4 158 B10R1.17 CCCNC1CCCCC1 Z57396800 [1,0,0,1,0,0|1,0,0]=3 159 B10R1.17 CCCNC1CCOCC1 Z3251708452 [1,0,0,1,0,0|2,0,0]=4 160 B10R1.17 CCCOC1CCCNC1 Z334959364 [1,0,0,1,0,0|2,0,0]=4 161 B10R1.17 CCCOC1CCNCC1 Z3235019635 [1,0,0,1,0,0|2,0,0]=4 162 B10R1.17 CCOCC1CCCCN1 Z2261981710 [1,0,0,1,0,0|2,0,0]=4 163 B10R1.17 CCOCC1CCCNC1 Z1267881664 [1,0,0,1,0,0|2,0,0]=4 164 B10R1.17 CCOCC1CCNCC1 Z1267773813 [1,0,0,1,0,0|2,0,0]=4 165 B10R1.17 CNCCC1CCNCC1 Z2686452655 [1,0,0,1,0,0|2,0,0]=4 166 B10R1.17 CNCCC1CCOCC1 Z992744046 [1,0,0,1,0,0|2,0,0]=4 167 B10R1.17 FCCCC1CCNCC1 Z3485638961 [1,0,0,1,0,0|2,0,0]=4 168 B10R1.17 N#CCCC1CCCCC1 Z382691354 [1,0,0,1,0,0|1,0,1]=4 169 B10R1.17 NCCCC1CCCCC1 Z234895793 [1,0,0,1,0,0|1,0,0]=3 170 B10R1.17 NCCCC1CCCCO1 Z1182485873 [1,0,0,1,0,0|2,0,0]=4 171 B10R1.17 NCCCC1CCOCC1 Z979765666 [1,0,0,1,0,0|2,0,0]=4 172 B10R1.17 NCCCN1CCCCC1 Z2895178979 [1,0,0,1,0,0|2,0,0]=4 173 B10R1.17 NCCNC1CCCCC1 Z4766278182 [1,0,0,1,0,0|2,0,0]=4 174 B10R1.17 O=CCCC1CCCCC1 Z57921395 [1,0,0,1,0,0|1,0,1]=4 175 B10R1.17 OCCCC1CCCCC1 Z87002514 [1,0,0,1,0,0|1,0,0]=3 176 B10R1.17 OCCCC1CCCCO1 Z1182486786 [1,0,0,1,0,0|2,0,0]=4 177 B10R1.17 OCCCC1CCNCC1 Z3234916305 [1,0,0,1,0,0|2,0,0]=4 178 B10R1.17 OCCCC1CCOCC1 Z993012578 [1,0,0,1,0,0|2,0,0]=4 179 B10R1.17 OCCCN1CCCCC1 Z169222610 [1,0,0,1,0,0|2,0,0]=4 180 B10R1.17 OCCNC1CCCCC1 Z90504557 [1,0,0,1,0,0|2,0,0]=4 181 B10R1.17 OCCOC1CCCCC1 Z362785382 [1,0,0,1,0,0|2,0,0]=4 182 B10R1.19 COC1CCCCCC1N Z1357823917 [1,0,0,1,0,0|2,0,0]=4 183 B10R1.19 NC1CCCCCC1CO Z1407007412 [1,0,0,1,0,0|2,0,0]=4 184 B10R1.20 CCC1CCCCC1C#N Z1162465704 [1,0,0,1,0,0|1,0,1]=4 185 B10R1.20 CCC1CCCCC1C=O Z1183459036 [1,0,0,1,0,0|1,0,1]=4 186 B10R1.20 CCC1CCCCC1CN Z2235386892 [1,0,0,1,0,0|1,0,0]=3 187 B10R1.20 CCC1CCCCC1NC Z813020678 [1,0,0,1,0,0|1,0,0]=3 188 B10R1.20 CCN1CCCCC1CN Z326178796 [1,0,0,1,0,0|2,0,0]=4 189 B10R1.20 CCN1CCCCC1CO Z137992830 [1,0,0,1,0,0|2,0,0]=4 190 B10R1.21 CCCCCC1CCCN1 Z1463349165 [1,0,0,1,0,0|1,0,0]=3 191 B10R1.21 CCCCNC1CCCC1 Z223658284 [1,0,0,1,0,0|1,0,0]=3 192 B10R1.21 CNCCCN1CCCC1 Z164136876 [1,0,0,1,0,0|2,0,0]=4 193 B10R1.21 COCCNC1CCCC1 Z969560760 [1,0,0,1,0,0|2,0,0]=4 194 B10R1.21 NCCCCC1CCCC1 Z1203590193 [1,0,0,1,0,0|1,0,0]=3 195 B10R1.21 NCCCCN1CCCC1 Z285162574 [1,0,0,1,0,0|2,0,0]=4 196 B10R1.21 NCCOCC1CCCC1 Z976679450 [1,0,0,1,0,0|2,0,0]=4 197 B10R1.21 OCCCCN1CCCC1 Z425793748 [1,0,0,1,0,0|2,0,0]=4 198 B10R1.21 OCCCOC1CCCC1 Z362785376 [1,0,0,1,0,0|2,0,0]=4 199 B10R1.21 OCCOCC1CCCC1 Z1201627417 [1,0,0,1,0,0|2,0,0]=4 200 B10R1.29 CC1CCCC1NCCO Z1118527729 [1,0,0,1,0,0|2,0,0]=4 201 B10R1.29 CCCCC1CCCC1=O Z813018296 [1,0,0,1,0,0|1,0,1]=4 202 B10R1.29 CCCNC1CCOC1C Z4446039363 [1,0,0,1,0,0|2,0,0]=4 203 B10R1.57 CCCCCOC1CNC1 Z1318513965 [1,0,0,1,0,0|2,0,0]=4 204 B10R1.85 CCCC1CCCNCC1 Z425362308 [1,0,0,1,0,0|1,0,0]=3 205 B10R1.85 CCCN1CCCNCC1 Z239604574 [1,0,0,1,0,0|2,0,0]=4 206 B10R1.85 NCCN1CCCCCC1 Z228588982 [1,0,0,1,0,0|2,0,0]=4 207 B10R1.85 O=CCC1CCCCCC1 Z1268611681 [1,0,0,1,0,0|1,0,1]=4 208 B10R1.85 OCCC1CCCCCC1 Z1198264962 [1,0,0,1,0,0|1,0,0]=3 209 B10R1.85 OCCN1CCCCCC1 Z197266168 [1,0,0,1,0,0|2,0,0]=4 210 B10R1.161 CCC1CCCCCCN1 Z5401717016 [1,0,0,1,0,0|1,0,0]=3 211 B10R1.161 CNC1CCCCCCC1 Z102766896 [1,0,0,1,0,0|1,0,0]=3 212 B10R1.161 N#CC1CCCCCCC1 Z415654854 [1,0,0,1,0,0|1,0,1]=4 213 B10R1.161 NCC1CCCCCCC1 Z1259155971 [1,0,0,1,0,0|1,0,0]=3 214 B10R1.161 O=CC1CCCCCCC1 Z1162184415 [1,0,0,1,0,0|1,0,1]=4 215 B10R1.1 CC1CCC(CC1)CCN Z3407353899 [1,0,0,1,0,0|2,0,0]=4 216 B10R1.1 CCCC1CCC(=O)CC1 Z57073962 [1,0,0,1,0,0|0,0,2]=4 217 B10R1.1 CCCC1CCC(CC1)N Z335455572 [1,0,0,1,0,0|1,0,0]=3 218 B10R1.1 CCCN1CCC(CC1)N Z90122150 [1,0,0,1,0,0|2,0,0]=4 219 B10R1.1 CCCN1CCC(CC1)O Z197264630 [1,0,0,1,0,0|1,0,0]=3 220 B10R1.1 CCN[C@H]1CC[C@@H](CC1)N Z3244924075 [1,0,0,1,0,0|2,0,0]=4 221 B10R1.1 CCOC1CCC(CC1)O Z1652659072 [1,0,0,1,0,0|1,0,0]=3 222 B10R1.1 CNCC1CCC(CC1)C Z4497190298 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.1 COCC1CCC(CC1)N Z1203642452 [1,0,0,1,0,0|2,0,0]=4 224 B10R1.1 CSCC1CCC(CC1)N Z2234185680 [1,0,0,1,0,0|2,0,0]=4 225 B10R1.1 NCCN1CCC(CC1)O Z3234812755 [1,0,0,1,0,0|2,0,0]=4 226 B10R1.1 OC1CCN(CC1)CCF Z5861811904 [1,0,0,1,0,0|2,0,0]=4 227 B10R1.2 CNC1CCCC(C1C)C Z4447240447 [1,0,0,1,0,0|2,0,0]=4 228 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [1,0,0,1,0,0|0,0,2]=4 229 B10R1.15 CCC(C)C1CCNCC1 Z2740400802 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.15 CCC(N)C1CCCCC1 Z513797596 [1,0,0,1,0,0|1,0,0]=3 231 B10R1.15 CCC(N)C1CCOCC1 Z1178490394 [1,0,0,1,0,0|2,0,0]=4 232 B10R1.15 CCC(O)C1CCCCC1 Z513751136 [1,0,0,1,0,0|0,0,0]=2 233 B10R1.15 CCC(O)C1CCCCN1 Z1157652498 [1,0,0,1,0,0|1,0,0]=3 234 B10R1.15 CNC(C)C1CCCCC1 Z2010010276 [1,0,0,1,0,0|2,0,0]=4 235 B10R1.15 NCC(N)C1CCCCC1 Z425861046 [1,0,0,1,0,0|2,0,0]=4 236 B10R1.15 NCC(O)C1CCCCC1 Z234895869 [1,0,0,1,0,0|1,0,0]=3 237 B10R1.15 NCC(O)C1CCOCC1 Z1863617870 [1,0,0,1,0,0|2,0,0]=4 238 B10R1.15 OCC(O)C1CCNCC1 Z3093892499 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.27 NC(CO)CC1CCCC1 Z1198179461 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.27 NCC(O)CC1CCCC1 Z5195336263 [1,0,0,1,0,0|1,0,0]=3 241 B10R1.87 CCSC1CCC1(O)CN Z1324054881 [1,0,0,1,0,0|2,0,0]=4 242 B10R1.153 NCC(O)COCC1CC1 Z332379858 [1,0,0,1,0,0|2,0,0]=4 243 B10R1.197 NC1CCCC(CC1)CO Z3034937862 [1,0,0,1,0,0|2,0,0]=4 244 B10R1.230 CC1CCCCC1(N)CN Z425860972 [1,0,0,1,0,0|2,0,0]=4 245 B10R1.230 CC1CCCCC1(N)CO Z2895331646 [1,0,0,1,0,0|2,0,0]=4 246 B10R1.232 CCC1(CCCNCC1)C Z1203825312 [1,0,0,1,0,0|2,0,0]=4 247 B10R1.232 NC1(CCCCCC1)CO Z3325063121 [1,0,0,1,0,0|2,0,0]=4 248 B12R1.28 CCCCNC1CCCC(C1)C Z90506808 [0,1,0,1,0,0|2,0,0]=4 249 B12R1.32 CNCC(O)CN1CCOCC1 Z162793674 [0,1,0,1,0,0|2,0,0]=4 250 B12R1.51 COCC(O)CSC1CCSC1 Z4137507550 [0,1,0,1,0,0|2,0,0]=4 251 B12R1.215 O=C1CCCCCCCCCN1 Z1509140506 [0,1,0,1,0,0|0,0,2]=4 252 B12R1.372 CCCCCCC1CCCC1=O Z57921382 [0,1,0,1,0,0|0,0,2]=4 253 B12R1.1 CC1CCN(CC1)CCCCN Z285162568 [0,1,0,1,0,0|2,0,0]=4 254 B12R1.1 COCCCN1CCC(CC1)N Z382722326 [0,1,0,1,0,0|2,0,0]=4 255 B12R1.1 NCCCNC1CCC(CC1)N Z3305160909 [0,1,0,1,0,0|2,0,0]=4 256 B12R1.27 CCC(=O)NCC1CCCCC1 Z32004338 [0,1,0,1,0,0|0,0,2]=4 257 B12R1.27 CCC(N)CCC1CCCCC1 Z1695784019 [0,1,0,1,0,0|1,0,0]=3 258 B12R1.271 CNCCCCNCC1CC1C Z2686134044 [0,1,0,1,0,0|2,0,0]=4 259 B12R1.371 CCC(=O)NC1CCCCC1C Z32972194 [0,1,0,1,0,0|0,0,2]=4 260 B12R1.455 CCCCC[C@@H]1CC[C@@H](O1)CN Z4526277186 [0,1,0,1,0,0|1,0,0]=3 261 B12R1.1748 CCC(=O)NC1CCCCCC1 Z32452122 [0,1,0,1,0,0|0,0,2]=4 262 B12R1.1748 OCC(O)CN1CCCNCC1 Z3892439438 [0,1,0,1,0,0|2,0,0]=4 263 B12R1.43 O=C(O)C(O)CC1CCCCC1 Z1255445171 [0,1,0,1,0,0|1,0,1]=4 264 B12R1.279 CCCN1CCCC(C1)C(C)O Z425721878 [0,1,0,1,0,0|2,0,0]=4 265 B12R1.1418 CCCCOC1CC(C1(C)C)N Z1273096637 [0,1,0,1,0,0|2,0,0]=4 266 B12R1.1418 CCCCOC1CC(C1(C)C)O Z1273088645 [0,1,0,1,0,0|1,0,0]=3 267 B12R1.2197 O=C(O)C(O)C1CCCCCC1 Z1262528403 [0,1,0,1,0,0|1,0,1]=4 268 B12R1.71 CCCCC1CCC(CC1)CN Z818732100 [0,1,0,1,0,0|1,0,0]=3 269 B12R1.71 CCCCC1CCC(CC1)CO Z397587254 [0,1,0,1,0,0|0,0,0]=2 270 B12R1.2259 CCCCC1(CCC(CC1)N)O Z1268604747 [0,1,0,1,0,0|1,0,0]=3 271 B12R1.49 CC1CCN(CC1)CC(O)CN Z270894808 [0,1,0,1,0,0|2,0,0]=4 272 B12R1.49 CCC(=O)NC1CCC(CC1)O Z32444090 [0,1,0,1,0,0|1,0,1]=4 273 B12R1.1007 O=C1CCCCC(CNCC1)O Z4607524649 [0,1,0,1,0,0|1,0,1]=4 274 B12R1.1007 OC1CCCCC(CNCC1)O Z4457865006 [0,1,0,1,0,0|1,0,0]=3 275 B12R1.21 CC(C)CNC1CCC(CC1)O Z90519885 [0,1,0,1,0,0|1,0,0]=3 276 B12R1.21 O=C(O)CCC1CCC(CC1)O Z1198728321 [0,1,0,1,0,0|1,0,1]=4 277 B12R1.21 O=C(O)CC[C@H]1CC[C@H](CC1)O Z4957401425 [0,1,0,1,0,0|1,0,1]=4 278 B12R1.50 OCC(O)CN1CCCC(C1)O Z31382007 [0,1,0,1,0,0|2,0,0]=4 279 B12R1.118 COC(CN)CC1CCCCC1 Z5106678790 [0,1,0,1,0,0|1,0,0]=3 280 B12R1.118 NCC(CO)CC1CCCCC1 Z975822808 [0,1,0,1,0,0|1,0,0]=3 281 B12R1.2409 CCC1(CCCCCCC1)CN Z3990899665 [0,1,0,1,0,0|1,0,0]=3 282 B12R1.34 NC(CO)C(O)C1CCCCC1 Z2689473848 [0,1,0,1,0,0|2,0,0]=4 283 B12R1.16 CCCC(=O)N1CCC(CC1)O Z85382750 [0,1,0,1,0,0|1,0,1]=4 284 B12R1.16 COCC(N)C1CCC(CC1)C Z1250055893 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.24 CC1CCC2CCCCC2N1 Z3461947675 [0,0,0,2,0,0|2,0,0]=4 286 B12R2.24 CC1CCC2CCCNC2C1 Z3408134299 [0,0,0,2,0,0|2,0,0]=4 287 B12R2.24 CC1CCC2NCCCC2C1 Z317025262 [0,0,0,2,0,0|2,0,0]=4 288 B12R2.24 CC1CNC2CCCCC2C1 Z3481621007 [0,0,0,2,0,0|2,0,0]=4 289 B12R2.24 NC1CCC2CCCCC2C1 Z119993192 [0,0,0,2,0,0|1,0,0]=3 290 B12R2.24 NC1CCC2COCCC2C1 Z3356208084 [0,0,0,2,0,0|2,0,0]=4 291 B12R2.24 OC1CCC2CCNCC2C1 Z1509087581 [0,0,0,2,0,0|1,0,0]=3 292 B12R2.294 CC1CCC(CC1)NC2CC2 Z394693578 [0,0,0,2,0,0|2,0,0]=4 293 B12R2.294 NC1CCN(CC1)CC2CC2 Z295882210 [0,0,0,2,0,0|2,0,0]=4 294 B12R2.1175 NC1CCC2(CCCC2)CC1 Z2513336748 [0,0,0,2,0,0|1,0,0]=3 295 B12R2.1175 OC1CCC2(CC1)OCCO2 Z335245088 [0,0,0,2,0,0|2,0,0]=4 296 B12R2.1175 OC1CCC2(CCCN2)CC1 Z3064092161 [0,0,0,2,0,0|1,0,0]=3 297 B12R2.2302 NC1CCC(CC1)C2CCC2 Z2576566263 [0,0,0,2,0,0|1,0,0]=3 298 B12R2.2302 OC1CCN(CC1)C2CNC2 Z3241255381 [0,0,0,2,0,0|2,0,0]=4 299 B12R2.202 CN1CC2CCCC(C2C1)O Z3074663069 [0,0,0,2,0,0|1,0,0]=3 300 B12R2.1081 CC1CCCC2C1NCCC2 Z317054150 [0,0,0,2,0,0|2,0,0]=4 301 B12R2.1081 CC1CCNC2C1CCCC2 Z381079370 [0,0,0,2,0,0|2,0,0]=4 302 B12R2.1081 NC1CCCC2C1CCCC2 Z2168496093 [0,0,0,2,0,0|1,0,0]=3 303 B12R2.1081 OC1CCCC2C1CCNC2 Z4497378949 [0,0,0,2,0,0|1,0,0]=3 304 B12R2.1081 OC1CCNC2C1CCCC2 Z2738358103 [0,0,0,2,0,0|1,0,0]=3 305 B12R2.6 NC1CCN(C1)C2CCCC2 Z415647818 [0,0,0,2,0,0|2,0,0]=4 306 B12R2.6 OC1CCN(C1)C2CCNC2 Z1269139566 [0,0,0,2,0,0|2,0,0]=4 307 B12R2.44 CCC1CN2CCCC2CN1 Z1198312057 [0,0,0,2,0,0|2,0,0]=4 308 B12R2.44 NCC1CCC2CCCC2O1 Z5223566608 [0,0,0,2,0,0|1,0,0]=3 309 B12R2.44 NCC1CCC2COCC2O1 Z4954298963 [0,0,0,2,0,0|2,0,0]=4 310 B12R2.44 NCC1CN2CCCC2CO1 Z927958138 [0,0,0,2,0,0|2,0,0]=4 311 B12R2.45 CCN1CCC2CCC(C1)N2 Z1349165290 [0,0,0,2,0,0|2,0,0]=4 312 B12R2.1858 ClCC1COC2(O1)CCCC2 Z90122125 [0,0,0,2,0,0|2,0,0]=4 313 B12R2.1858 NCC1COC2(O1)CCCC2 Z1198274319 [0,0,0,2,0,0|2,0,0]=4 314 B12R2.1858 OCC1COC2(O1)CCCC2 Z431952296 [0,0,0,2,0,0|2,0,0]=4 315 B12R2.5111 O[C@@H]1[C@@H](CNC12CCCC2)O Z4497341547 [0,0,0,2,0,0|2,0,0]=4 316 B12R2.1041 NC1CC2CCCCCC2C1 Z3247615274 [0,0,0,2,0,0|1,0,0]=3 317 B12R2.2918 NC1CCC2(C1)CCCCC2 Z3480665891 [0,0,0,2,0,0|1,0,0]=3 318 B12R2.2918 OC1CCC2(C1)CCNCC2 Z4830338570 [0,0,0,2,0,0|1,0,0]=3 319 B12R2.2918 OC1COC2(C1)CCNCC2 Z4480681343 [0,0,0,2,0,0|2,0,0]=4 320 B12R2.27 NC[C@@H]1C[C@H]1C2CCCCC2 Z2298098045 [0,0,0,2,0,0|2,0,0]=4 321 B12R2.32 NCC1C[C@@H]2CCCC[C@H]2O1 Z3352132176 [0,0,0,2,0,0|1,0,0]=3 322 B12R2.1772 NCC1CC2(C1)CCCCC2 Z3891510927 [0,0,0,2,0,0|2,0,0]=4 323 B12R2.2058 C1CCC(CC1)NC2CCC2 Z4958309283 [0,0,0,2,0,0|2,0,0]=4 324 B12R2.4133 NCC1(CN2CCC1CC2)O Z2083000066 [0,0,0,2,0,0|2,0,0]=4 325 B12R2.3807 C1CC(C1)C2CCCNCC2 Z2731860544 [0,0,0,2,0,0|2,0,0]=4 326 B12R2.2412 O[C@]12CCNC[C@H]1COCC2 Z4402350620 [0,0,0,2,0,0|2,0,0]=4 327 B12R2.1843 NC[C@@H]1C[C@H]2C[C@@H]1[C@@H]([C@@H]2O)O Z3771849601 [0,0,0,2,0,0|2,0,0]=4 328 B12R2.100 OC1CC2CNCC2CC1O Z3688848518 [0,0,0,2,0,0|2,0,0]=4 329 B12R2.1067 N[C@@H]1C[C@H]2[C@@H]1CCCCCC2 Z3628972213 [0,0,0,2,0,0|1,0,0]=3 330 B12R2.2417 NC12CCCCCC1OCC2 Z3074058757 [0,0,0,2,0,0|2,0,0]=4 331 B12R2.4446 NCC1CCCC2(O1)CCC2 Z2894427550 [0,0,0,2,0,0|1,0,0]=3 332 B12R2.4446 O=CC1CCCC2(O1)CCC2 Z2168518669 [0,0,0,2,0,0|1,0,1]=4 333 B12R2.4446 OCC1CNCC2(O1)CCC2 Z3623515792 [0,0,0,2,0,0|2,0,0]=4 334 B12R2.2317 O=C1C2CCCC1C(CC2)O Z1513599139 [0,0,0,2,0,0|1,0,1]=4