0 B11R1.16 CCOC(=O)C1CCCCN1 OR5106 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.16 CCOC(=O)C1CCCNC1 OR4197 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.16 CCOC(=O)C1CCNCC1 OR0070 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.16 CCOC(=O)C1CNCCO1 OR40501 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.16 CCOC(=O)C1CSCCN1 OR1445 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.16 CCOC(=O)C1CSCCN1 OR59472 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.16 CCOC(=O)N1CCNCC1 OR6852 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 OR8969 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.16 CCOC(=O)[C@H]1CCCNC1 OR8970 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.16 N#CCC(=O)N1CCCCC1 OR30243 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CCC(=O)N1CCNCC1 OR0854 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.15 CCC(=O)N1CCNCC1 OR53187 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.15 CNC(=O)C1CCNCC1 OR949865 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.15 COC(=O)C1=COCCC1 OR470823 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.15 COC(=O)C1CC=CCC1 OR0842 [1,0,0,0,0,0|0,0,2]=3 15 B10R1.15 COC(=O)C1CCCCC1 OR350217 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.15 COC(=O)C1CCNCC1 OR8795 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.15 COC(=O)C1CCOCC1 OR10552 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.15 COC(=O)C1CCSCC1 OR52430 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.15 COC(=O)N1CCNCC1 OR313091 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 COC(=O)[C@@H]1CCCCN1 OR460008 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.15 COC(=O)[C@@H]1COCCN1 OR308167 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.15 COC(=O)[C@H]1CCCCN1 OR460007 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.15 N=C(NO)C1CCCCC1 OR52382 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.15 NCC(=O)N1CCOCC1 OR12016 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 NNC(=O)C1CCOCC1 OR110996 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 O=C(CCl)N1CCCCC1 OR49021 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.15 O=C(CCl)N1CCOCC1 OR1511 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.16 CCOC(=O)C1CCC(=O)CC1 OR5848 [0,1,0,0,0,0|0,0,1]=2 29 B12R1.16 CCOC(=O)C1CCN(C)CC1 OR13632 [0,1,0,0,0,0|1,0,0]=2 30 B12R1.16 CCOC(=O)C1CCN(C)CC1 OR460036 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.16 CCOC(=O)N1CCC(=O)CC1 OR6942 [0,1,0,0,0,0|1,0,1]=3 32 B12R1.16 CCOC(=O)N1CCC(N)CC1 OR6931 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.16 CCOC(=O)N1CCC(O)CC1 OR8802 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.16 CCOC(=O)[C@H]1CC[C@H](N)CC1 OR55285 [0,1,0,0,0,0|0,0,0]=1 35 B12R1.17 CCOC(=O)C1CCCC(=O)C1 OR27815 [0,1,0,0,0,0|0,0,1]=2 36 B12R1.17 CCOC(=O)C1CCCN(C)C1 OR6927 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.308 CCOC(=O)C1CCCSC1=O OR25344 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.308 CCOC(=O)C1CSCCC1=O OR300631 [0,1,0,0,0,0|1,0,1]=3 39 B10R0.1 C=CCCCCC(=O)OCC OR01811 [0,0,1,0,0,0|0,0,2]=3 40 B10R0.1 CCOC(=O)CCCCCBr OR28740 [0,0,1,0,0,0|1,0,0]=2 41 B10R0.19 CCOC(=O)[C@@H](N)CCSC OR26814 [0,0,1,0,0,0|2,0,0]=3 42 B10R0.19 CCO\C=C(/C)C(=O)OCC OR60192 [0,0,1,0,0,0|1,0,2]=4 43 B12R2.2 C1CCC(C2CCCN2)CC1 OR12518 [0,0,0,1,0,0|2,0,1]=4 44 B12R2.8 O=C1NCCC12CCNCC2 OR52407 [0,0,0,1,0,0|2,0,0]=3 45 B12R2.1479 CCOC(=O)C1C2CNCC21 OR45142 [0,0,0,1,0,0|1,0,0]=2 46 B12R2.1479 [C@@H]12CNC[C@@H]1C2C(=O)OCC OR302725 [0,0,0,1,0,0|1,0,0]=2 47 B12R2.2075 O=C(C1CC1)N2CCNCC2 OR0246 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.11 CCOC(=O)[C@H]1CCNC1 OR315502 [0,0,0,0,1,0|1,0,0]=2 49 B12R1.32 CCOC(=O)C=C1CCOCC1 OR11453 [0,0,0,0,0,1|1,0,1]=3 50 B12R1.32 CCOC(=O)CC1CCCNC1 OR0951 [0,0,0,0,0,1|1,0,0]=2 51 B12R1.32 CCOC(=O)CC1CCNCC1 OR0952 [0,0,0,0,0,1|1,0,0]=2 52 B12R1.32 CCOC(=O)CC1CCOCC1 OR10475 [0,0,0,0,0,1|1,0,0]=2 53 B12R1.32 CCOC(=O)CN1CCCCC1 OR61335 [0,0,0,0,0,1|1,0,0]=2 54 B12R1.32 CCOC(=O)CN1CCNCC1 OR4184 [0,0,0,0,0,1|2,0,0]=3 55 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 OR321209 [0,0,0,0,0,1|1,0,0]=2 56 B9R0.5 CCOC(=O)CCCCBr OR322208 [1,0,1,0,0,0|1,0,0]=3 57 B9R0.5 CC\C=C\CC(=O)OCC OR6031 [1,0,1,0,0,0|0,0,2]=4 58 B9R0.45 CCCCCC\C=C/CO OR52469 [1,0,1,0,0,0|2,0,0]=4 59 B9R0.46 COC(=O)CCCCCBr OR2002 [1,0,1,0,0,0|1,0,0]=3 60 B9R0.8 CCCCC(C)C(C)CC OR54624 [1,0,1,0,0,0|1,0,1]=4 61 B9R0.8 COC(=O)C(Br)CCCBr OR8857 [1,0,1,0,0,0|2,0,0]=4 62 B9R0.35 C=CCC(C)C(=O)OCC OR6034 [1,0,1,0,0,0|0,0,2]=4 63 B9R0.35 CCOC(=O)C(Cl)OCC OR10840 [1,0,1,0,0,0|2,0,0]=4 64 B9R0.37 CCOC(=O)C(C#N)CC OR12466 [1,0,1,0,0,0|1,0,1]=4 65 B9R1.6 CC(=O)C1CCCCC1 OR2012 [2,0,0,0,0,0|0,0,0]=2 66 B9R1.6 CC(=O)C1CCOCC1 OR60176 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.6 CC(=O)N1CCNCC1 OR5122 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 CN(C)C1CCCCC1 OR19541 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 NC(=O)C1CCCCC1 OR27734 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.6 NC(=O)C1CCCNC1 OR13974 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 NC(=O)C1CCNCC1 OR28687 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 NC(=O)C1CCOCC1 OR9367 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 O=C(Cl)C1CCCCO1 OR346346 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 O=C(Cl)C1CCOCC1 OR14254 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.6 O=C(O)C1CC=CCC1 OR30377 [2,0,0,0,0,0|0,0,2]=4 76 B9R1.6 O=C(O)C1CCCCC1 OR40331 [2,0,0,0,0,0|0,0,0]=2 77 B9R1.6 O=C(O)C1CCCCN1 OR6924 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.6 O=C(O)C1CCCNC1 OR8589 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.6 O=C(O)C1CCCOC1 OR70150 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.6 O=C(O)C1CCNCC1 OR6923 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.6 O=C(O)C1CCOCC1 OR10587 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.6 O=C(O)C1CCSCC1 OR15954 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.6 O=C(O)C1CNCCN1 OR0237 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.6 O=C(O)C1CNCCN1 OR4574 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.6 O=C(O)C1CNCCO1 OR308153 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.6 O=C(O)C1CNCCO1 OR350283 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.6 O=C(O)C1CSCCN1 OR6324 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.6 O=C(O)[C@@H]1CCCNC1 OR8967 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR15638 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.6 O=C(O)[C@@H]1CNCCN1 OR40310 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 O=C(O)[C@@H]1CNCCO1 OR308154 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 O=C(O)[C@@H]1COCCN1 OR52358 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.6 O=C(O)[C@H]1CCCCN1 OR350111 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.6 O=C(O)[C@H]1CCCNC1 OR8968 [2,0,0,0,0,0|1,0,0]=3 95 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15637 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.6 O=C(O)[C@H]1CNCCN1 OR15639 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.6 O=C(O)[C@H]1CNCCO1 OR308155 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.6 O=C(O)[C@H]1COCCN1 OR52357 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.6 OB(O)C1CCCCC1 OR13116 [2,0,0,0,0,0|1,0,1]=4 100 B9R1.8 CCCC1CCNCC1 OR18730 [2,0,0,0,0,0|1,0,1]=4 101 B9R1.8 CCC[C@@H]1CCCCN1 OR321207 [2,0,0,0,0,0|1,0,1]=4 102 B9R1.8 CCN[C@@H]1CCCNC1 OR61261 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.8 COCC1CCNCC1 OR55162 [2,0,0,0,0,0|1,0,1]=4 104 B11R0.4 C=CCCCCCC(=O)OCC OR01812 [0,1,1,0,0,0|0,0,1]=3 105 B11R0.4 CCOC(=O)CCCCCCBr OR10083 [0,1,1,0,0,0|0,0,0]=2 106 B11R0.61 CCOC(=O)C(OCC)OCC OR0457 [0,1,1,0,0,0|1,0,0]=3 107 B11R1.22 COC(=O)C1CCC(O)CC1 OR27594 [1,1,0,0,0,0|0,0,0]=2 108 B11R1.22 COC(=O)N1CCC(O)CC1 OR303041 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 OR61067 [1,1,0,0,0,0|0,0,0]=2 110 B11R1.23 COC(=O)C1CCNC(=O)C1 OR301040 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.36 CC(C)C(=O)N1CCNCC1 OR0858 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.222 COC(=O)C1CNCCC1=O OR12915 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.15 CCOC(=O)[C@@H]1CC(C)CN1 OR61345 [0,1,0,0,1,0|1,0,0]=3 114 B11R1.199 CCOC(=O)C1CCCC1=O OR24955 [0,1,0,0,1,0|0,0,1]=3 115 B11R1.199 CCOC(=O)C1CCNC1=O OR309153 [0,1,0,0,1,0|1,0,1]=4 116 B13R1.19 CCOC(=O)CC1CCC(=O)CC1 OR40563 [0,1,0,0,0,1|0,0,1]=3 117 B13R1.47 CCOC(=O)C(=O)C1CCCCC1 OR318068 [0,1,0,0,0,1|0,0,0]=2 118 B13R1.47 CCOC(=O)C(C)N1CCNCC1 OR4192 [0,1,0,0,0,1|2,0,0]=4 119 B13R1.348 CC(C)NC(=O)N[C@H]1CCCNC1 OR62020 [0,1,0,0,0,1|2,0,0]=4 120 B13R1.446 CCOC(=O)C1CN(C)CCN1C OR3900 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.352 CC(C)(C)OC(=O)N1CCNCC1 OR1731 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.352 CC(C)(C)OC(=O)N1CCSCC1 OR55408 [0,2,0,0,0,0|2,0,0]=4 123 B11R2.20 C1CCC2CCCCC2C1 OR42013 [1,0,0,1,0,0|1,0,1]=4 124 B13R2.444 O=C(N[C@H]1CCCNC1)C2CC2 OR70125 [0,0,0,1,0,1|2,0,0]=4 125 B13R2.4014 O=C1CC2(CCCCC2)C(=O)O1 OR1320 [0,0,0,1,0,1|1,0,1]=4 126 B13R2.11128 O=C1CCCC2(CCNCC2)N1 OR2327 [0,0,0,1,0,1|2,0,0]=4 127 B9R1.11 COC(=O)C1=CCCC1 OR1990 [1,0,0,0,1,0|0,0,2]=4 128 B9R1.11 COC(=O)C1CC=CC1 OR60201 [1,0,0,0,1,0|0,0,2]=4 129 B9R1.11 COC(=O)C1NCCS1 OR8944 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.11 COC(=O)[C@@H]1CCCN1 OR11387 [1,0,0,0,1,0|1,0,0]=3 131 B9R1.11 COC(=O)[C@H]1CCCN1 OR18616 [1,0,0,0,1,0|1,0,0]=3 132 B9R1.73 CCOC(=O)C1CNC1 OR317193 [0,0,0,0,2,0|1,0,0]=3 133 B13R1.42 CCOC(=O)CCN1CCCCC1 OR6540 [0,0,0,0,0,2|1,0,0]=3 134 B13R1.42 CCOC(=O)CCN1CCNCC1 OR0949 [0,0,0,0,0,2|2,0,0]=4 135 B13R1.1575 CCOC(=O)C=C1CCCCCN1 OR29154 [0,0,0,0,0,2|0,0,1]=3