0 B10R0.3 C/C(=C\CO)/CCCC(C)C Z2583205813 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.3 CCNC(=O)NCCN(C)C Z44596535 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.3 CN(C)CCOC(=O)CC#N Z4327158723 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.1 CC(C)CCNC(=O)CCl Z56886287 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.1 CCC(=O)NCCN(C)C Z56892420 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.1 CNC(=N)NCCC(C)C Z1347691724 [1,0,0,0,0,0|3,0,0]=4 7 B9R0.1 CNC(=O)CCNC(C)C Z1449756290 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.1 COC(=O)CCNC(C)C Z140567588 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.1 COC(=O)CNCC(C)C Z235645558 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CC(C)CCOCCC#N Z317037852 [1,0,0,0,0,0|1,0,2]=4 11 B9R0.2 CCCNCCCN(C)C Z334950180 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.5 CCCCNC(=O)CC#N Z56840025 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.5 CCCCNC(=O)CCC Z31763357 [1,0,0,0,0,0|1,0,0]=2 14 B9R0.5 CCCNCC(=O)OCC Z235653500 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.5 CCNC(=O)NCCCO Z425745002 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.5 CCOC(=O)CCCCN Z1741976369 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.5 CNCC(=O)NCCOC Z46191422 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.5 COCCNC(=O)CCN Z241054100 [1,0,0,0,0,0|3,0,0]=4 19 B9R0.5 COCCOC(=O)CC#N Z104479724 [1,0,0,0,0,0|2,0,1]=4 20 B11R0.1 CCCC(C)OC(=O)CC(C)C Z1332977285 [0,1,0,0,0,0|1,0,2]=4 21 B11R0.1 CCOC(=O)CC(=O)CC(C)C Z839817032 [0,1,0,0,0,0|2,0,1]=4 22 B11R0.6 CC(=CC(=O)OCCC(C)C)C Z212578276 [0,1,0,0,0,0|0,0,2]=3 23 B11R0.6 CC(C)CCOC(=O)CC(=O)O Z4496883142 [0,1,0,0,0,0|1,0,1]=3 24 B11R0.6 CC(C)CONC(=O)NC(C)C Z1493087025 [0,1,0,0,0,0|3,0,0]=4 25 B11R0.147 CCCNC(=O)NCCN(C)C Z44596525 [0,1,0,0,0,0|2,0,0]=3 26 B11R0.180 CCOC(=O)CCC[N+](C)(C)C Z1269233146 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.15 CCNC(=O)N1CCC(C1)N Z1696822356 [0,0,0,1,0,0|3,0,0]=4 28 B11R1.15 CCOC(=O)C1CCC(C1)N Z1431905466 [0,0,0,1,0,0|3,0,0]=4 29 B11R1.15 CCOC(=O)N1CCC(C1)N Z1708089986 [0,0,0,1,0,0|3,0,0]=4 30 B11R1.15 CCOC(=O)[C@@H]1CC[C@@H](O1)C Z2287516252 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.90 CC(C)CCC1CCCC1=O Z813018302 [0,0,0,1,0,0|1,0,0]=2 32 B11R1.90 CC(C)CCC1CCCC1N Z813018522 [0,0,0,1,0,0|2,0,1]=4 33 B11R1.90 CC(O)CCN1CCCC1=O Z854216260 [0,0,0,1,0,0|2,0,0]=3 34 B11R1.157 CC(=O)CC1CCCC(=O)N1 Z2301684556 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.157 CC(C)CC1CC(=O)CCO1 Z1192341315 [0,0,0,1,0,0|2,0,0]=3 36 B11R1.157 CC(C)CN1CCNC(=O)C1 Z197260772 [0,0,0,1,0,0|3,0,0]=4 37 B11R1.166 CC(C)C1CCC(=O)CC1C Z1509046522 [0,0,0,1,0,0|1,0,0]=2 38 B11R1.172 CC(C)CCNC1CCCC1 Z90508783 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.172 CC(C)CCOC1CCNC1 Z1367012388 [0,0,0,1,0,0|2,0,1]=4 40 B11R1.290 CCOC(=O)CCNC1CC1 Z53117498 [0,0,0,1,0,0|3,0,0]=4 41 B11R1.290 CCOC(=O)COCC1CC1 Z361894074 [0,0,0,1,0,0|3,0,0]=4 42 B11R1.342 CC1(CCOC(C1)CCN)C Z4808650363 [0,0,0,1,0,0|2,0,1]=4 43 B11R1.565 CC(C)C1CCCC(CC1)N Z1258694827 [0,0,0,1,0,0|2,0,1]=4 44 B11R1.565 CC(C)C1CCNC(=O)CC1 Z1197664821 [0,0,0,1,0,0|2,0,0]=3 45 B9R0.48 CC(C)CNC(=O)CC#N Z169918906 [0,0,0,0,1,0|2,0,1]=4 46 B9R0.48 CC(C)CNC(=O)CCN Z1449763104 [0,0,0,0,1,0|2,0,0]=3 47 B9R0.48 CCOC(=O)CCN(C)C Z104477518 [0,0,0,0,1,0|2,0,0]=3 48 B9R0.48 CCOC(=O)CNC(C)C Z1741967075 [0,0,0,0,1,0|2,0,0]=3 49 B8R0.6 CCCCNC(=O)CCl Z56853747 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.6 CCCCOC(=O)CN Z1266823221 [2,0,0,0,0,0|1,0,0]=3 51 B8R0.6 CCCCOC(=O)OC Z1238573230 [2,0,0,0,0,0|1,0,0]=3 52 B8R0.6 CNC(=O)OCCCN Z3465972444 [2,0,0,0,0,0|2,0,0]=4 53 B8R0.7 CC(C)CCCCCO Z1198149583 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.7 CC(C)CCNCCO Z102766092 [2,0,0,0,0,0|2,0,0]=4 55 B8R0.7 CC(C)CCOCCO Z608482468 [2,0,0,0,0,0|1,0,0]=3 56 B8R0.7 CC(C)COCCCO Z1080358758 [2,0,0,0,0,0|1,0,1]=4 57 B8R0.7 CCCCCCC(C)N Z104477186 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.7 CCCNCCN(C)C Z1250222486 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.7 CNCCCCC(C)C Z5530305220 [2,0,0,0,0,0|1,0,1]=4 60 B8R0.28 CC(C)CCCC(=O)O Z426022098 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.28 CC(C)CCNC(=O)N Z56904577 [2,0,0,0,0,0|2,0,0]=4 62 B8R0.4 CCCCNCCCC Z102766286 [2,0,0,0,0,0|1,0,1]=4 63 B8R0.1 C=CCCC(=O)CCC Z406377524 [2,0,0,0,0,0|0,0,2]=4 64 B8R0.1 CCCNC(=O)CNC Z56979317 [2,0,0,0,0,0|2,0,0]=4 65 B8R0.1 CCCOC(=O)OCC Z2375631176 [2,0,0,0,0,0|1,0,0]=3 66 B8R0.1 CCNCC(=O)NCC Z55849446 [2,0,0,0,0,0|2,0,0]=4 67 B8R0.1 CCOC(=O)CCNC Z2240989662 [2,0,0,0,0,0|2,0,0]=4 68 B8R0.1 COCCC(=O)COC Z992968820 [2,0,0,0,0,0|2,0,0]=4 69 B10R0.44 COC(=O)CC(N)CC(C)C Z4707550262 [1,1,0,0,0,0|2,0,0]=4 70 B10R0.60 CC(C)(C)CCNC(=O)CCl Z561487404 [1,1,0,0,0,0|2,0,0]=4 71 B10R0.98 CC(C)C(=O)NCCN(C)C Z220745436 [1,1,0,0,0,0|2,0,0]=4 72 B10R0.98 CC(N)C(=O)NCCN(C)C Z2096284217 [1,1,0,0,0,0|2,0,0]=4 73 B10R0.74 CCCCCCCC(C)CN Z415655116 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.78 CCCOC(=O)CCC(C)C Z54727553 [1,1,0,0,0,0|2,0,0]=4 75 B10R0.1 CNCC(=O)NCCCOC Z46191424 [1,1,0,0,0,0|2,0,0]=4 76 B10R0.91 CCCNCC(=O)NCCC Z104884800 [1,1,0,0,0,0|2,0,0]=4 77 B10R0.32 CCOC(=O)C(N)CN(C)C Z1266933890 [0,1,0,0,1,0|2,0,0]=4 78 B10R0.96 CC(N)CCC(=O)OC(C)C Z1945708513 [0,1,0,0,1,0|2,0,0]=4 79 B12R0.72 CCOC(=O)CCCCC(C)(C)C Z2037147202 [0,1,0,0,0,1|2,0,0]=4 80 B12R0.283 CCOC(=O)CC(=O)CCC(C)C Z839817114 [0,1,0,0,0,1|2,0,0]=4 81 B12R0.18 CCNC(=O)NC(CO)CC(C)C Z799919028 [0,2,0,0,0,0|2,0,0]=4 82 B12R0.18 CCOC(=O)NC(CN)CC(C)C Z381026820 [0,2,0,0,0,0|2,0,0]=4 83 B12R0.432 CCCS(=O)(=O)NCC(O)C(C)C Z1252752134 [0,2,0,0,0,0|2,0,0]=4 84 B12R0.44 CC(C)CC/N=C(\N)/SCC(C)C Z89275446 [0,2,0,0,0,0|2,0,0]=4 85 B12R0.44 CC(C)CCNC(=O)NC[C@H](C)O Z1736687828 [0,2,0,0,0,0|1,0,0]=3 86 B12R0.102 CCCN/C(=N/CCC(C)SC)/N Z1127622853 [0,2,0,0,0,0|2,0,0]=4 87 B12R0.233 CCCCNC(=O)NCCN(C)C Z44596524 [0,2,0,0,0,0|2,0,0]=4 88 B10R1.13 CC(C)C1CCC(=O)CC1 Z959274754 [1,0,0,1,0,0|1,0,0]=3 89 B10R1.13 CC(C)C1CNC(=O)CN1 Z1198172694 [1,0,0,1,0,0|2,0,0]=4 90 B10R1.14 CCC(=O)N1CCC(C1)N Z934126228 [1,0,0,1,0,0|2,0,0]=4 91 B10R1.54 CC(C)CC1CNC(=O)C1 Z1198235319 [1,0,0,1,0,0|2,0,0]=4 92 B10R1.79 O=C1CCCC(CCC1)O Z1198158812 [1,0,0,1,0,0|2,0,0]=4 93 B10R1.194 CC(C)C1CNC(=O)C1C Z2379582112 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.206 C[C@@H]1C[C@H]1CCC(=O)CCl Z4442429030 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.302 CC1(CCNC(=O)CC1)C Z1203733095 [1,0,0,1,0,0|1,0,0]=3 96 B10R1.302 CC1(CCOC(=O)CC1)C Z1278923571 [1,0,0,1,0,0|0,0,0]=2 97 B10R1.18 CC(C)CC1CCCNC1 Z1415893887 [1,0,0,1,0,0|2,0,0]=4 98 B10R1.18 CC(C)CC1CNCCO1 Z4628240194 [1,0,0,1,0,0|1,0,1]=4 99 B10R1.66 CC(C)CCC1CCCN1 Z351728968 [1,0,0,1,0,0|2,0,0]=4 100 B10R1.348 CC(C)C1CCCNCC1 Z1197904026 [1,0,0,1,0,0|2,0,0]=4 101 B10R1.11 CCCC(=O)C1CCCC1 Z513735600 [1,0,0,1,0,0|1,0,0]=3 102 B10R1.11 CCOC(=O)C1CCCC1 Z53835896 [1,0,0,1,0,0|2,0,0]=4 103 B10R1.11 CNCC(=O)N1CCCC1 Z104756708 [1,0,0,1,0,0|2,0,0]=4 104 B10R1.11 NCCC(=O)N1CCCC1 Z1449745387 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.19 CNC1CCCCNC1=O Z234896383 [1,0,0,1,0,0|2,0,0]=4 106 B10R1.19 O=C1NCCCCC1CO Z2756841892 [1,0,0,1,0,0|2,0,0]=4 107 B10R1.25 CCN1CCC(=O)CC1C Z825755284 [1,0,0,1,0,0|2,0,0]=4 108 B10R1.29 CCCCC1CCCC1=O Z813018296 [1,0,0,1,0,0|1,0,0]=3 109 B10R1.29 CCOCC1CCCC1=O Z1333210851 [1,0,0,1,0,0|2,0,0]=4 110 B10R1.29 NCCCN1CCCC1=O Z104473856 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.245 CC1CCNC(=O)C1CN Z3482333911 [1,0,0,1,0,0|2,0,0]=4 112 B10R1.30 CC1CCC(=O)C(C1)C=O Z854045786 [0,0,0,1,1,0|1,0,1]=4 113 B10R1.30 CCC1CC(CCC1=O)C Z854046008 [0,0,0,1,1,0|0,0,0]=2 114 B10R1.59 CC(C)[C@@H]1NC(=O)C[C@H]1N Z4549416712 [0,0,0,1,1,0|2,0,0]=4 115 B10R1.63 CC1CC(CCC1(C)C)N Z3662734073 [0,0,0,1,1,0|1,0,1]=4 116 B10R1.113 CC(C)C1CCCC(=O)N1 Z1203748309 [0,0,0,1,1,0|1,0,0]=3 117 B10R1.113 CC(C)C1CCCC(C1)N Z1098324193 [0,0,0,1,1,0|1,0,1]=4 118 B10R1.113 CC(C)C1CNCC(=O)N1 Z1198172722 [0,0,0,1,1,0|2,0,0]=4 119 B10R1.113 CC(C)C1COCC(=O)N1 Z1203831510 [0,0,0,1,1,0|2,0,0]=4 120 B10R1.113 CC(C)N1CCNC(=O)C1 Z105930004 [0,0,0,1,1,0|2,0,0]=4 121 B10R1.113 O=C1CCCC(C1)C(F)F Z1400826043 [0,0,0,1,1,0|2,0,0]=4 122 B10R1.330 CC1CN(CCC(=O)N1)C Z3227133634 [0,0,0,1,1,0|2,0,0]=4 123 B10R1.330 CC1CNC(=O)CC(C1)C Z1203735002 [0,0,0,1,1,0|1,0,0]=3 124 B10R1.330 C[C@H]1CC(=O)NC[C@H](O1)C Z2517425886 [0,0,0,1,1,0|2,0,0]=4 125 B10R1.400 CCCC(=O)C1CC1(C)C Z1889939327 [0,0,0,1,1,0|0,0,0]=2 126 B10R1.400 CCOC(=O)C1OC1(C)C Z1201621486 [0,0,0,1,1,0|2,0,0]=4 127 B12R1.17 CC1CCCN(C1)C(=O)CCN Z1449750363 [0,0,0,1,0,1|2,0,0]=4 128 B12R1.17 COCC(=O)N1CCCC(C1)C Z31715482 [0,0,0,1,0,1|2,0,0]=4 129 B12R1.17 CSCC(=O)N1CCCC(C1)C Z31714372 [0,0,0,1,0,1|2,0,0]=4 130 B12R1.130 CC(C)CCOC1CCCC1N Z285179790 [0,0,0,1,0,1|1,0,1]=4 131 B12R1.226 CC(C)COC1=CC(=O)CCC1 Z1255419487 [0,0,0,1,0,1|1,0,1]=4 132 B12R1.310 CCOC(=O)CCNCC1CC1 Z405064814 [0,0,0,1,0,1|2,0,0]=4 133 B12R1.1007 O=C1CCCCC(CNCC1)O Z4607524649 [0,0,0,1,0,1|2,0,0]=4 134 B12R1.1359 CC(C)CONC(=O)NC1CC1 Z1493087036 [0,1,0,1,0,0|2,0,0]=4 135 B12R1.252 CC(C)CCOC1CCNCC1 Z426041646 [0,1,0,1,0,0|1,0,1]=4 136 B12R1.16 CCCC(=O)N1CCC(CC1)O Z85382750 [0,1,0,1,0,0|2,0,0]=4 137 B12R1.16 CSCC(=O)N1CCC(CC1)C Z32664156 [0,1,0,1,0,0|2,0,0]=4 138 B12R1.125 CC(C)CCC1CCCNC1=O Z1685767962 [0,1,0,1,0,0|1,0,0]=3 139 B12R1.125 CN(C)CCN1CCNCC1=O Z975809954 [0,1,0,1,0,0|2,0,0]=4 140 B12R1.1019 CC(C)(C)C1CCCC(=O)CC1 Z1258700175 [0,1,0,1,0,0|1,0,0]=3 141 B12R1.1019 CC(C)(C)C1CCNC(=O)CC1 Z425362290 [0,1,0,1,0,0|2,0,0]=4 142 B12R1.1019 CC(C)(C)C1CCOC(=O)CC1 Z5211313470 [0,1,0,1,0,0|2,0,0]=4 143 B12R2.196 CC1CCNC2C1CNC2=O Z3487102452 [0,0,0,2,0,0|2,0,0]=4 144 B8R0.9 CC(C)CCC(=O)NO Z59183904 [1,0,0,0,1,0|2,0,0]=4 145 B8R0.9 CC(C)CNC(=O)CCl Z56887734 [1,0,0,0,1,0|2,0,0]=4 146 B8R0.9 CC(C)CNC(=O)CN Z1262246246 [1,0,0,0,1,0|2,0,0]=4 147 B8R0.9 CCC(O)CCC(C)C Z838962512 [1,0,0,0,1,0|0,0,2]=4 148 B8R0.5 CC(C)CC(=O)CC#N Z360167452 [0,0,0,0,2,0|1,0,1]=4 149 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [0,0,0,0,2,0|2,0,0]=4 150 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,0,0,0,2,0|2,0,0]=4 151 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,0,0,0,2,0|1,0,0]=3 152 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,0,0,0,2,0|2,0,0]=4 153 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,0,0,0,2,0|2,0,0]=4 154 B8R0.5 CNCC(=O)NC(C)C Z46191420 [0,0,0,0,2,0|2,0,0]=4 155 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,0,0,0,2,0|1,0,0]=3