0 B11R0.3 CCCCCCCCCCC=O Z993017862 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.3 CCCCCCCCCCNC Z102767086 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.3 CCCCCCCCSCCO Z425753146 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.3 CCCCCCCNCCCO Z139305228 [0,0,0,0,0,0|1,0,2]=3 4 B10R0.71 C=CCCCCCCCCN Z2083000288 [1,0,0,0,0,0|1,0,1]=3 5 B10R0.71 CCCCCCCCCC=O Z104477054 [1,0,0,0,0,0|0,0,0]=1 6 B10R0.71 CCCCCCCCCCN Z362810900 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.71 CCCCCCCCCNC Z752371288 [1,0,0,0,0,0|1,0,1]=3 8 B10R0.71 CCCCCNCCCOC Z137847940 [1,0,0,0,0,0|2,0,1]=4 9 B10R0.71 CCCCOCCOCCN Z362798458 [1,0,0,0,0,0|3,0,0]=4 10 B12R0.5 CCCCCCCCCC#CCO Z1198168660 [0,1,0,0,0,0|0,0,3]=4 11 B12R0.5 CCCCCCCCCCCC#N Z966176448 [0,1,0,0,0,0|1,0,1]=3 12 B12R0.5 CCCCCCCCCCCCN Z104474358 [0,1,0,0,0,0|1,0,1]=3 13 B12R0.5 CCCCCCCCCCCCO Z104476554 [0,1,0,0,0,0|0,0,2]=3 14 B12R0.5 CCCCCCCCNCCCN Z600494288 [0,1,0,0,0,0|1,0,1]=3 15 B12R0.5 CCCCCCCCOCCCN Z1262237229 [0,1,0,0,0,0|1,0,1]=3 16 B12R0.5 CCCCCCNCCCCCC Z104475172 [0,1,0,0,0,0|1,0,1]=3 17 B12R0.5 NCCCCCCCCCCCO Z1198263294 [0,1,0,0,0,0|0,0,2]=3 18 B12R0.234 C=CCCCCCCCCC(=O)O Z104479700 [0,1,0,0,0,0|0,0,2]=3 19 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [0,1,0,0,0,0|0,0,0]=1 20 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [0,1,0,0,0,0|1,0,0]=2 21 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [0,1,0,0,0,0|1,0,0]=2 22 B12R0.248 C=CC(=O)NCCCCCCCC Z1509144978 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.8 CCCCCCC1CCCCN1 Z3214214291 [0,0,0,1,0,0|1,0,1]=3 24 B12R1.8 CCCCCCC1CCNCC1 Z2235307016 [0,0,0,1,0,0|2,0,1]=4 25 B12R1.8 CCCCCCN1CCCCC1 Z3773115082 [0,0,0,1,0,0|2,0,1]=4 26 B12R1.8 CNCCCCN1CCCCC1 Z594229332 [0,0,0,1,0,0|3,0,0]=4 27 B12R1.8 COCCCNC1CCCCC1 Z3547453339 [0,0,0,1,0,0|3,0,0]=4 28 B12R1.8 NCCCCCN1CCCCC1 Z823284062 [0,0,0,1,0,0|2,0,1]=4 29 B12R1.18 COCCN1CCCNCC1=O Z1259217546 [0,0,0,1,0,0|3,0,0]=4 30 B12R1.121 CCC1CCCCC1OCCO Z854227734 [0,0,0,1,0,0|1,0,2]=4 31 B12R1.121 CCCCN1CCCCC1CN Z326178782 [0,0,0,1,0,0|2,0,1]=4 32 B12R1.215 O=C1CCCCCCCCCN1 Z1509140506 [0,0,0,1,0,0|1,0,0]=2 33 B12R1.215 O=C1CCNCCCCCCN1 Z1618142864 [0,0,0,1,0,0|2,0,0]=3 34 B12R1.267 CC1CCCCN1CCCCN Z285162592 [0,0,0,1,0,0|2,0,1]=4 35 B12R1.267 NCCCCN1CCCCC1=O Z354005102 [0,0,0,1,0,0|2,0,0]=3 36 B12R1.267 O=C1CCCCC1CNCCBr Z56770950 [0,0,0,1,0,0|2,0,0]=3 37 B12R1.271 CNCCCCNCC1CC1C Z2686134044 [0,0,0,1,0,0|3,0,0]=4 38 B12R1.329 COCCN1CCCCCCC1 Z168934532 [0,0,0,1,0,0|3,0,0]=4 39 B12R1.329 FCCCN1CCCCCCC1 Z3899643708 [0,0,0,1,0,0|2,0,1]=4 40 B12R1.329 N#CCCN1CCCCCCC1 Z53111056 [0,0,0,1,0,0|2,0,1]=4 41 B12R1.329 OCCNC1CCCCCCC1 Z90504559 [0,0,0,1,0,0|1,0,2]=4 42 B12R1.372 CCCCCCC1CCCC1=O Z57921382 [0,0,0,1,0,0|0,0,0]=1 43 B12R1.375 O=CCCCCCCCC1CC1 Z4497136697 [0,0,0,1,0,0|0,0,0]=1 44 B12R1.375 OCCCCCCCCC1CO1 Z1896536419 [0,0,0,1,0,0|1,0,2]=4 45 B12R1.1414 OCCCNC1CCCCCC1 Z3549614608 [0,0,0,1,0,0|1,0,2]=4 46 B9R0.45 CCCCCCCCCO Z104476100 [2,0,0,0,0,0|0,0,1]=3 47 B9R0.45 CCCCCCCNC=O Z1203732044 [2,0,0,0,0,0|1,0,0]=3 48 B9R0.45 CCCCCCNCCO Z137800948 [2,0,0,0,0,0|1,0,1]=4 49 B9R0.45 CCCCOCCCCO Z993012624 [2,0,0,0,0,0|1,0,1]=4 50 B9R0.45 NCCCCCCCCN Z1203577927 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.45 NCCCCCCCCO Z4745386600 [2,0,0,0,0,0|1,0,1]=4 52 B11R0.140 CCCCCN(C)CCCCC Z138914642 [1,1,0,0,0,0|1,0,1]=4 53 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [1,1,0,0,0,0|0,0,0]=2 54 B11R0.148 CCCCCCCCNC(=O)C Z1509141066 [1,1,0,0,0,0|1,0,0]=3 55 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [1,1,0,0,0,0|1,0,0]=3 56 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [1,1,0,0,0,0|2,0,0]=4 57 B13R0.335 CCCCCCCCC(C)CC(=O)O Z1269116031 [0,2,0,0,0,0|0,0,0]=2 58 B13R0.54 CCCCCCCCC/C=C/C(=O)O Z336127680 [0,2,0,0,0,0|0,0,1]=3 59 B13R0.54 CCCCCCCCCCCC(=O)O Z104476194 [0,2,0,0,0,0|0,0,0]=2 60 B13R0.54 O=C(O)CCCCCCCCCCBr Z57953031 [0,2,0,0,0,0|0,0,0]=2 61 B13R0.147 CCCCCCCCCNC(=O)NC Z339780518 [0,2,0,0,0,0|1,0,0]=3 62 B13R0.147 COC(=O)CCCCCCCCCN Z3221366174 [0,2,0,0,0,0|1,0,0]=3 63 B13R0.165 CCCCCCC(=O)CCCCCC Z104475286 [0,2,0,0,0,0|1,0,1]=4 64 B13R0.165 CCCCCCC(C)NCCCSC Z111883408 [0,2,0,0,0,0|2,0,0]=4 65 B13R0.336 OCCCCCCCCCCCCBr Z1259040916 [0,2,0,0,0,0|0,0,2]=4 66 B13R0.338 CCCCCCCN(C)CCCNC Z4548459381 [0,2,0,0,0,0|2,0,0]=4 67 B13R0.154 CCCCCCCC(=O)NCC(=O)O Z362780008 [0,2,0,0,0,0|1,0,1]=4 68 B13R0.150 CCCCCCCCCC(O)C(=O)O Z1269030530 [0,2,0,0,0,0|0,0,0]=2 69 B13R0.150 CCCCCCCCNC(=O)C(=O)O Z1509025750 [0,2,0,0,0,0|1,0,1]=4 70 B13R0.179 O=C(O)CCCCCCCCC(=O)O Z104475420 [0,2,0,0,0,0|1,0,1]=4 71 B13R0.280 CCCCCCCCCCP(=O)(C)C Z57683826 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.5 COCC1CCCCNC1=O Z1650040301 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.5 O=C1CCCCCN1CCO Z425794504 [1,0,0,1,0,0|2,0,0]=4 74 B11R1.17 CC1CCCCN1CCCO Z168932308 [1,0,0,1,0,0|1,0,1]=4 75 B11R1.17 CCCCC1NCCNC1=O Z978935228 [1,0,0,1,0,0|2,0,0]=4 76 B11R1.17 O=C1CCCCN1CCCO Z425794956 [1,0,0,1,0,0|2,0,0]=4 77 B11R1.28 CCCCCC1CCCCN1 Z1082216934 [1,0,0,1,0,0|1,0,0]=3 78 B11R1.28 CCCCNC1CCCCC1 Z2218556189 [1,0,0,1,0,0|1,0,1]=4 79 B11R1.28 CCCNCC1CCCCC1 Z57170999 [1,0,0,1,0,0|1,0,1]=4 80 B11R1.28 CCCNCC1CCCCO1 Z138447410 [1,0,0,1,0,0|1,0,1]=4 81 B11R1.28 OCCCCC1CCNCC1 Z3234885301 [1,0,0,1,0,0|1,0,1]=4 82 B11R1.28 OCCCNC1CCCCC1 Z3504619196 [1,0,0,1,0,0|1,0,1]=4 83 B11R1.28 OCCCOC1CCCCC1 Z362785378 [1,0,0,1,0,0|1,0,1]=4 84 B11R1.28 OCCNCC1CCCCC1 Z90504645 [1,0,0,1,0,0|1,0,1]=4 85 B11R1.41 CCCN1CCCCC1CN Z326178808 [1,0,0,1,0,0|2,0,0]=4 86 B11R1.101 NC1CCCCCCCCC1 Z3244659869 [1,0,0,1,0,0|1,0,0]=3 87 B11R1.101 O=C1CCCCCCCCN1 Z1255465322 [1,0,0,1,0,0|1,0,0]=3 88 B11R1.117 CNCC1CCCCCCC1 Z1258570420 [1,0,0,1,0,0|1,0,1]=4 89 B11R1.203 FCCCN1CCCCCC1 Z3899643792 [1,0,0,1,0,0|2,0,0]=4 90 B11R1.203 NCCOC1CCCCCC1 Z756084276 [1,0,0,1,0,0|2,0,0]=4 91 B11R1.203 OCCCN1CCCCCC1 Z3069017316 [1,0,0,1,0,0|1,0,1]=4 92 B11R1.203 OCCNC1CCCCCC1 Z1862093141 [1,0,0,1,0,0|1,0,1]=4 93 B13R1.119 NCCCCCCCN1CCCC1 Z335286646 [0,1,0,1,0,0|1,0,1]=4 94 B13R1.279 O=C1CCCCCCCCCCC1 Z104473098 [0,1,0,1,0,0|0,0,0]=2 95 B13R1.463 CCOC(=O)C1CCCCCC1=O Z425453600 [0,1,0,1,0,0|1,0,1]=4 96 B13R1.28 CCCCCCCN1CCCCC1 Z3965396724 [0,1,0,1,0,0|1,0,1]=4 97 B13R1.28 NCCCCCOC1CCCCC1 Z823284604 [0,1,0,1,0,0|1,0,1]=4 98 B13R1.84 CCCCN[C@@H]1CCCC[C@H]1OC Z2235777055 [0,1,0,1,0,0|2,0,0]=4 99 B13R1.137 C=CCCCN[C@H]1CNC[C@H]1CC Z4905305229 [0,1,0,1,0,0|2,0,0]=4 100 B13R1.659 CCCCCCCCCCC1CO1 Z1255485282 [0,1,0,1,0,0|0,0,2]=4 101 B13R1.1150 N#CCCNC1CCCCCCC1 Z57030948 [0,1,0,1,0,0|1,0,1]=4 102 B13R1.1887 COCCCNC1CCCCCC1 Z3547458872 [0,1,0,1,0,0|2,0,0]=4 103 B13R1.1887 NCCCCOC1CCCCCC1 Z756084280 [0,1,0,1,0,0|1,0,1]=4 104 B13R1.27 CCCCCCCC1CCC(=O)O1 Z90120148 [0,1,0,1,0,0|0,0,0]=2 105 B13R1.90 CCC1CCCCC1OCC(=O)O Z316259164 [0,1,0,1,0,0|1,0,0]=3 106 B13R1.167 NC1CCCC1CCCCC(=O)O Z5386737761 [0,1,0,1,0,0|1,0,0]=3 107 B13R1.337 NC(=O)CNCCC1CCCCC1 Z234895885 [0,1,0,1,0,0|1,0,0]=3 108 B13R1.337 O=C(O)CCCCN1CCCCC1 Z1270387209 [0,1,0,1,0,0|1,0,0]=3 109 B13R1.337 O=C(O)CCCCN1CCOCC1 Z362634334 [0,1,0,1,0,0|2,0,0]=4 110 B13R1.343 NC(=O)CNCCCN1CCCC1 Z106862696 [0,1,0,1,0,0|2,0,0]=4 111 B13R1.380 CCSC1CCCCC1NC(=O)C Z1348988609 [0,1,0,1,0,0|2,0,0]=4 112 B13R1.380 O=C(O)CN1CCCCC1CCO Z359352610 [0,1,0,1,0,0|2,0,0]=4 113 B13R1.572 CCCCN1CCCCC1C(=O)O Z1665192314 [0,1,0,1,0,0|1,0,0]=3 114 B13R1.572 CCCCN1CCOCC1C(=O)O Z1762997267 [0,1,0,1,0,0|2,0,0]=4 115 B13R1.1988 CC(=O)NCCN1CCCCCC1 Z4913683373 [0,1,0,1,0,0|2,0,0]=4 116 B13R2.3 C1CCC(CC1)C2CCCCN2 Z2574936759 [0,0,0,2,0,0|1,0,1]=4 117 B13R2.3 C1CCC(CC1)C2CCCNC2 Z2583036181 [0,0,0,2,0,0|2,0,0]=4 118 B13R2.14 O=C1CCCCC12CCCCC2 Z1255434820 [0,0,0,2,0,0|0,0,0]=2 119 B13R2.14 O=C1CCNCC12CCOCC2 Z3274554355 [0,0,0,2,0,0|2,0,0]=4 120 B13R2.14 O=C1NCCCC12CCOCC2 Z1201626742 [0,0,0,2,0,0|2,0,0]=4 121 B13R2.15 O=C1CCCC1C2COCCN2 Z1631784110 [0,0,0,2,0,0|2,0,0]=4 122 B13R2.15 O=C1CCCN1C2CCCNC2 Z295402902 [0,0,0,2,0,0|2,0,0]=4 123 B13R2.15 O=C1CCCN1C2CCNCC2 Z839575844 [0,0,0,2,0,0|2,0,0]=4 124 B13R2.15 O=C1NCCC1C2CCCCC2 Z1509320575 [0,0,0,2,0,0|1,0,0]=3 125 B13R2.15 O=C1NCCN1C2CCCCC2 Z1491195507 [0,0,0,2,0,0|2,0,0]=4 126 B13R2.64 C1CCC(CC1)CC2CCCN2 Z234895791 [0,0,0,2,0,0|1,0,1]=4 127 B13R2.8001 C1CCCC2(CC1)CCCCN2 Z3033960671 [0,0,0,2,0,0|1,0,1]=4 128 B13R2.8001 C1CCCC2(CC1)CCCNC2 Z1209426501 [0,0,0,2,0,0|2,0,0]=4 129 B13R2.18 O=C1CCCCC1C2CCCN2 Z1374884991 [0,0,0,2,0,0|1,0,0]=3 130 B13R2.183 C1CCC(C1)CCC2CCCN2 Z1463351172 [0,0,0,2,0,0|1,0,1]=4 131 B13R2.677 C1CCCC(CC1)C2CCCN2 Z2733353761 [0,0,0,2,0,0|1,0,1]=4 132 B13R2.4489 C=CCN1C[C@H]2[C@@]1(CCCC2)C Z4900174418 [0,0,0,2,0,0|2,0,0]=4 133 B13R2.32 CN1CCC2CCNCC2C1=O Z4910809945 [0,0,0,2,0,0|2,0,0]=4 134 B13R2.57 O=CC1CCC2CCCCC2C1 Z1511766749 [0,0,0,2,0,0|0,0,0]=2 135 B13R2.57 O=CC1CCC2COCCC2C1 Z1513986171 [0,0,0,2,0,0|1,0,0]=3 136 B13R2.163 O=C1CCCC2CCCCC2N1 Z1509158921 [0,0,0,2,0,0|1,0,0]=3 137 B13R2.163 O=C1CCC[C@@H]2NCCC[C@H]2N1 Z4656794143 [0,0,0,2,0,0|2,0,0]=4 138 B13R2.747 CNCC1CCCCC12CCC2 Z3397090523 [0,0,0,2,0,0|2,0,0]=4