0 B9R1.6 CC(=O)C1CCNCC1 23348 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1CCOCC1 23581 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)N1CCCCC1 7729 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)N1CCNCC1 8565 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 CC(=O)N1CCOCC1 35160 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.6 CN(C)C1CCCNC1 6751 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 CN(C)C1CCNCC1 19773 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 CN(C)C1CCNCC1 6749 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 CN(C)C1CCOCC1 26061 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.6 FC(F)C1CCNCC1 33404 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 NC(=O)C1CCCCN1 11795 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 NC(=O)C1CCCNC1 11797 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 NC(=O)C1CCNCC1 9754 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 NC(=O)C1CCOCC1 9735 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 O=C(Cl)C1CCCCC1 35229 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 O=C(Cl)C1CCOCC1 12437 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 O=C(Cl)N1CCOCC1 36111 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 O=C(O)C1=CCCCO1 19588 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.6 O=C(O)C1CC=CCC1 11032 [0,0,0,0,0,0|0,0,2]=2 19 B9R1.6 O=C(O)C1CCCCC1 10570 [0,0,0,0,0,0|0,0,0]=0 20 B9R1.6 O=C(O)C1CCCCN1 7628 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 O=C(O)C1CCCCN1 7717 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 O=C(O)C1CCCCO1 19589 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.6 O=C(O)C1CCCNC1 6793 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.6 O=C(O)C1CCCOC1 19540 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.6 O=C(O)C1CCNCC1 7718 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.6 O=C(O)C1CCOCC1 9730 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.6 O=C(O)C1CNCCN1 8582 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C(O)C1CSCCN1 11027 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 O=C(O)N1CCCCC1 6791 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 O=C(O)[C@@H]1CC=CCC1 24718 [0,0,0,0,0,0|0,0,2]=2 31 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22632 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.6 O=C(O)[C@@H]1CC=CCN1 22633 [0,0,0,0,0,0|1,0,2]=3 33 B9R1.6 O=C(O)[C@@H]1CCCCN1 5567 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 O=C(O)[C@@H]1CCCNC1 5658 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.6 O=C(O)[C@@H]1CNCCN1 13115 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)[C@@H]1CNCCN1 15229 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C(O)[C@H]1CCCCN1 5635 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.6 O=C(O)[C@H]1CCCNC1 5657 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.6 O=C(O)[C@H]1CNCCN1 13117 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.6 O=C(O)[C@H]1CNCCN1 6078 [0,0,0,0,0,0|2,0,0]=2 41 B9R1.6 O=C(O)[C@H]1COCCN1 27275 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.6 OB(O)C1=CCCCC1 18423 [0,0,0,0,0,0|1,0,3]=4 43 B9R1.6 OB(O)C1CCCCC1 6024 [0,0,0,0,0,0|1,0,1]=2 44 B8R1.2 BrCC1CCCCC1 3103 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 BrCC1CCNCC1 18594 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 BrCC1CCOCC1 9559 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 CCC1CCCCN1 6758 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 CCN1CCCCC1 7713 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 CC[C@@H]1CCCCN1 15599 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 CC[C@H]1CCCCN1 15598 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.2 CNC1CCCNC1 6874 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 CNC1CCOCC1 17652 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 COC1CCNCC1 8024 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.2 ClCC1CCCCC1 9647 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 N#CC1CCCCN1 23031 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 N#CC1CCCOC1 19542 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 N#CC1CCNCC1 23464 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 N#CC1CCNCC1 9349 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.2 NCC1CCCCC1 20540 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.2 NCC1CCCCN1 6725 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 NCC1CCCNC1 35502 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 NCC1CCCNC1 6723 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 NCC1CCCOC1 14606 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 NCC1CCCOC1 16813 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 NCC1CCNCC1 6720 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.2 NCC1CCOCC1 9707 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.2 NCC1CCOCC1 9728 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 NNC1CCCCC1 24152 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 NNC1CCCCC1 33541 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 NNC1CCCCC1 33542 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 NNC1CCOCC1 27377 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.2 NNC1CCOCC1 32391 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 NOC1CCCCO1 13867 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 O=CC1CCCCC1 3082 [1,0,0,0,0,0|0,0,0]=1 75 B8R1.2 O=CC1CCCCN1 18309 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.2 O=CC1CCCCN1 6773 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.2 O=CC1CCCOC1 23588 [1,0,0,0,0,0|1,0,0]=2 78 B8R1.2 O=CC1CCNCC1 20422 [1,0,0,0,0,0|1,0,0]=2 79 B8R1.2 O=CC1CCNCC1 6774 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.2 O=CC1CCOCC1 9736 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.2 O=CN1CCCCC1 7728 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 O=CN1CCNCC1 20982 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.2 O=CN1CCOCC1 15134 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.2 OCC1CCCCC1 3098 [1,0,0,0,0,0|0,0,1]=2 85 B8R1.2 OCC1CCCCN1 6779 [1,0,0,0,0,0|1,0,1]=3 86 B8R1.2 OCC1CCCCO1 9734 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.2 OCC1CCCNC1 6775 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.2 OCC1CCCOC1 35472 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.2 OCC1CCCOC1 35472 [1,0,0,0,0,0|1,0,1]=3 90 B8R1.2 OCC1CCNCC1 6777 [1,0,0,0,0,0|1,0,1]=3 91 B8R1.2 OCC1CCNCC1 6819 [1,0,0,0,0,0|1,0,1]=3 92 B8R1.2 OCC1CCOCC1 7872 [1,0,0,0,0,0|1,0,1]=3 93 B8R1.2 OC[C@@H]1CCCNC1 16103 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.2 OC[C@@H]1CNCCO1 24738 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.2 OC[C@@H]1COCCN1 11411 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 OC[C@@H]1COCCN1 21793 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 OC[C@H]1CCCNC1 16102 [1,0,0,0,0,0|1,0,1]=3 98 B8R1.2 OC[C@H]1CNCCO1 25361 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.2 OC[C@H]1COCCN1 11412 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.2 OC[C@H]1COCCN1 16824 [1,0,0,0,0,0|2,0,1]=4 101 B8R1.2 [C-]#[N+]C1CCCCC1 20479 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.13 CC(=O)N1CCC(=O)CC1 19615 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.13 CC(=O)N1CCC(N)CC1 23358 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 CN1CCC(C(=O)O)CC1 7222 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.13 CN1CCC(C(=O)O)CC1 8007 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.13 CN1CCN(C(=O)Cl)CC1 26684 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 CN1CCN(C(=O)Cl)CC1 36114 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 2493 [0,1,0,0,0,0|0,0,0]=1 109 B10R1.13 NC(=O)C1CCC(=O)CC1 26304 [0,1,0,0,0,0|1,0,1]=3 110 B10R1.13 NC1CCC(C(=O)O)CC1 23274 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 21310 [0,1,0,0,0,0|0,0,0]=1 112 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 14085 [0,1,0,0,0,0|0,0,0]=1 113 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 4022 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.13 O=C1CCC(C(=O)O)CC1 12606 [0,1,0,0,0,0|0,0,1]=2 115 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 31801 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.15 C=CC(=O)N1CCOCC1 31999 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.15 COC(=O)C1=CCCCC1 11031 [0,1,0,0,0,0|0,0,2]=3 118 B10R1.15 COC(=O)C1CCCCC1 11146 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.15 COC(=O)C1CCCCN1 9441 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.15 COC(=O)C1CCCCO1 19541 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.15 COC(=O)C1CCCNC1 11756 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.15 COC(=O)C1CCNCC1 7745 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.15 COC(=O)C1CCOCC1 9715 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.15 COC(=O)N1CCNCC1 45137 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.15 COC(=O)[C@H]1CCCCN1 24184 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.15 N#C[C@@H](O)C1CCCCC1 17484 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.15 N#C[C@H](O)C1CCCCC1 17482 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.15 NCC(=O)N1CCCCC1 9268 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.15 O=C(CCl)N1CCCCC1 8026 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.28 CS(=O)(=O)C1CCNCC1 34174 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.61 CC(=O)N1CCCCC1=O 23360 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.61 CN1CCCCC1C(=O)O 8006 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.61 NC1=C(C(=O)O)CCCC1 19544 [0,1,0,0,0,0|0,0,2]=3 134 B10R1.113 CN1CCCC(C(=O)O)C1 8008 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 35803 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21565 [0,1,0,0,0,0|0,0,0]=1 137 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 21587 [0,1,0,0,0,0|0,0,0]=1 138 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 21566 [0,1,0,0,0,0|0,0,0]=1 139 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 20831 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 16279 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.113 O=C1CCCC(C(=O)O)N1 23449 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 23450 [0,1,0,0,0,0|1,0,1]=3 143 B10R1.363 CC(C)C1(O)CCCCC1 20241 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.363 NC1(C(=O)O)CCCCC1 13882 [0,1,0,0,0,0|0,0,0]=1 145 B10R1.363 NC1(C(=O)O)CCCNC1 24365 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.363 NC1(C(=O)O)CCCNC1 24366 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.363 NC1(C(=O)O)CCCOC1 24400 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.363 NC1(C(=O)O)CCNCC1 4003 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.363 NC1(C(=O)O)CCOCC1 24396 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.363 NC1(C(=O)O)CCOCC1 24397 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.363 N[C@]1(C(=O)O)CCCOC1 24401 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.7 CC(=O)OCCCCCl 13100 [0,0,1,0,0,0|3,0,0]=4 153 B8R0.7 CCCCCCB(O)O 29486 [0,0,1,0,0,0|1,0,1]=3 154 B8R0.7 CCCCCCC(C)=O 26418 [0,0,1,0,0,0|1,0,0]=2 155 B8R0.7 CCCCCCC(C)O 21480 [0,0,1,0,0,0|1,0,1]=3 156 B8R0.7 CCCCCC[C@@H](C)N 6754 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.7 CCCCCC[C@@H](C)O 6072 [0,0,1,0,0,0|1,0,1]=3 158 B8R0.7 CCCCCC[C@H](C)N 6748 [0,0,1,0,0,0|2,0,1]=4 159 B8R0.7 CCCCCC[C@H](C)O 17259 [0,0,1,0,0,0|1,0,1]=3 160 B8R0.7 CCCCCC[C@H](C)O 6073 [0,0,1,0,0,0|1,0,1]=3 161 B8R0.7 COCCOCC(=O)Cl 36078 [0,0,1,0,0,0|3,0,0]=4 162 B8R0.7 COCCOCC(=O)O 31986 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.7 NCCCCCC(=O)O 35821 [0,0,1,0,0,0|1,0,0]=2 164 B8R0.7 O=C(O)CCCCCBr 3777 [0,0,1,0,0,0|1,0,0]=2 165 B8R0.8 CCCCC(N)B(O)O 33619 [0,0,1,0,0,0|2,0,1]=4 166 B8R0.8 CCCC[C@@H](N)C(=O)O 27353 [0,0,1,0,0,0|1,0,0]=2 167 B8R0.8 CCCC[C@H](N)C(=O)O 21410 [0,0,1,0,0,0|1,0,0]=2 168 B8R0.8 CSCCC(N)C(=O)O 20205 [0,0,1,0,0,0|2,0,0]=3 169 B8R0.8 CSCC[C@H](N)C(=O)O 14349 [0,0,1,0,0,0|2,0,0]=3 170 B8R0.8 CSCC[C@H](N)C(=O)O 18503 [0,0,1,0,0,0|2,0,0]=3 171 B8R0.8 C[Se]CC[C@H](N)C(=O)O 13834 [0,0,1,0,0,0|2,0,0]=3 172 B8R0.8 NCCCC(N)C(=O)O 36401 [0,0,1,0,0,0|2,0,0]=3 173 B8R0.8 NCCC[C@@H](N)C(=O)O 12441 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.8 NCCC[C@H](N)C(=O)O 13024 [0,0,1,0,0,0|2,0,0]=3 175 B8R0.8 NCCC[C@H](N)C(=O)O 21979 [0,0,1,0,0,0|2,0,0]=3 176 B10R2.62 O=C1CN2CCC1CC2 19166 [0,0,0,1,0,0|2,0,0]=3 177 B10R2.62 OC1CN2CCC1CC2 16514 [0,0,0,1,0,0|2,0,1]=4 178 B10R2.62 OC1CN2CCC1CC2 16516 [0,0,0,1,0,0|2,0,1]=4 179 B10R2.62 O[C@H]1CN2CCC1CC2 20235 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.7 CC(=O)C1CCCC1 16480 [0,0,0,0,1,0|1,0,0]=2 181 B8R1.7 NC(=O)[C@@H]1CCCN1 13020 [0,0,0,0,1,0|2,0,0]=3 182 B8R1.7 NC(=O)[C@@H]1CCCN1 5667 [0,0,0,0,1,0|2,0,0]=3 183 B8R1.7 NC(=O)[C@H]1CCCN1 10997 [0,0,0,0,1,0|2,0,0]=3 184 B8R1.7 O=C(Cl)C1CCCC1 13237 [0,0,0,0,1,0|1,0,0]=2 185 B8R1.7 O=C(Cl)C1CCOC1 30317 [0,0,0,0,1,0|2,0,0]=3 186 B8R1.7 O=C(O)C1CCCC1 14153 [0,0,0,0,1,0|0,0,0]=1 187 B8R1.7 O=C(O)C1CCCN1 20613 [0,0,0,0,1,0|1,0,0]=2 188 B8R1.7 O=C(O)C1CCCO1 7088 [0,0,0,0,1,0|1,0,0]=2 189 B8R1.7 O=C(O)C1CCNC1 10439 [0,0,0,0,1,0|1,0,0]=2 190 B8R1.7 O=C(O)C1CCNC1 16223 [0,0,0,0,1,0|1,0,0]=2 191 B8R1.7 O=C(O)C1CCOC1 22077 [0,0,0,0,1,0|1,0,0]=2 192 B8R1.7 O=C(O)[C@@H]1C=CCN1 13924 [0,0,0,0,1,0|1,0,2]=4 193 B8R1.7 O=C(O)[C@@H]1CCCO1 5795 [0,0,0,0,1,0|1,0,0]=2 194 B8R1.7 O=C(O)[C@@H]1CCNC1 11127 [0,0,0,0,1,0|1,0,0]=2 195 B8R1.7 O=C(O)[C@@H]1CCNC1 15979 [0,0,0,0,1,0|1,0,0]=2 196 B8R1.7 O=C(O)[C@@H]1COCN1 16415 [0,0,0,0,1,0|2,0,0]=3 197 B8R1.7 O=C(O)[C@@H]1CSCN1 8297 [0,0,0,0,1,0|2,0,0]=3 198 B8R1.7 O=C(O)[C@H]1CCCN1 10979 [0,0,0,0,1,0|1,0,0]=2 199 B8R1.7 O=C(O)[C@H]1CCCO1 5796 [0,0,0,0,1,0|1,0,0]=2 200 B8R1.7 O=C(O)[C@H]1CCNC1 11126 [0,0,0,0,1,0|1,0,0]=2 201 B8R1.7 O=C(O)[C@H]1CCNC1 15978 [0,0,0,0,1,0|1,0,0]=2 202 B8R1.7 OB(O)C1CCCC1 7792 [0,0,0,0,1,0|1,0,1]=3 203 B10R1.18 CC(=O)NC1CCNCC1 9227 [0,0,0,0,0,1|2,0,0]=3 204 B10R1.18 CC(=O)OC1CCNCC1 35466 [0,0,0,0,0,1|2,0,0]=3 205 B10R1.18 O=C(O)CC1CCNCC1 30432 [0,0,0,0,0,1|1,0,0]=2 206 B10R1.18 O=C(O)CC1CCOCC1 9729 [0,0,0,0,0,1|1,0,0]=2 207 B10R1.18 O=C(O)CN1CCOCC1 10332 [0,0,0,0,0,1|2,0,0]=3 208 B7R0.1 C#CCCCCCC 13059 [1,0,1,0,0,0|1,0,1]=4 209 B7R0.1 C=CCCCCCBr 26398 [1,0,1,0,0,0|2,0,0]=4 210 B7R0.1 C=CCCCCCCl 25249 [1,0,1,0,0,0|2,0,0]=4 211 B7R0.1 CCCCCCCBr 3775 [1,0,1,0,0,0|1,0,1]=4 212 B7R0.1 CCCCCCCI 3944 [1,0,1,0,0,0|1,0,1]=4 213 B7R0.1 NCCCCCCO 13750 [1,0,1,0,0,0|1,0,1]=4 214 B7R0.1 O=CCCCCC=O 21301 [1,0,1,0,0,0|1,0,1]=4 215 B7R0.1 OCCCCCCCl 16921 [1,0,1,0,0,0|1,0,1]=4 216 B7R0.4 C#CCCCC(=O)O 35033 [1,0,1,0,0,0|0,0,2]=4 217 B7R0.4 CC(=O)CCCCCl 29051 [1,0,1,0,0,0|2,0,0]=4 218 B7R0.4 CCCCCB(O)O 27260 [1,0,1,0,0,0|1,0,1]=4 219 B7R0.4 CCCCCC(=O)Cl 21359 [1,0,1,0,0,0|1,0,0]=3 220 B7R0.4 CCCCCC(C)O 3094 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.4 CCCCC[C@@H](C)O 6739 [1,0,1,0,0,0|1,0,1]=4 222 B7R0.4 CCCCC[C@H](C)O 6736 [1,0,1,0,0,0|1,0,1]=4 223 B7R0.4 NCCCCC(=O)O 18964 [1,0,1,0,0,0|1,0,0]=3 224 B7R0.4 NCCCCC(=O)O 31880 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.4 O=C(Cl)CCCCBr 36169 [1,0,1,0,0,0|2,0,0]=4 226 B7R0.4 O=C(Cl)CCCCCl 10919 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.4 O=C(O)CCCCBr 3843 [1,0,1,0,0,0|1,0,0]=3 228 B7R0.3 CC(CO)CCCO 25460 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.5 CCCC(C)C(=O)Cl 21794 [1,0,1,0,0,0|1,0,0]=3 230 B7R0.5 CCCC(C)C(=O)O 2465 [1,0,1,0,0,0|0,0,0]=2 231 B7R0.5 CCC[C@H](C)C(=O)O 5642 [1,0,1,0,0,0|0,0,0]=2 232 B7R0.5 CCC[C@H](N)C(=O)O 5727 [1,0,1,0,0,0|1,0,0]=3 233 B7R0.5 NC(CCO)C(=O)O 13833 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.5 NC(CCS)C(=O)O 19432 [1,0,1,0,0,0|2,0,0]=4 235 B7R0.5 NCCC(N)C(=O)O 13824 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.5 NCCC(N)C(=O)O 14752 [1,0,1,0,0,0|2,0,0]=4 237 B7R0.5 NCCC(O)C(=O)O 23215 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.5 NCC[C@@H](N)C(=O)O 14751 [1,0,1,0,0,0|2,0,0]=4 239 B7R0.5 NCC[C@H](N)C(=O)O 35110 [1,0,1,0,0,0|2,0,0]=4 240 B7R0.5 NCC[C@H](O)C(=O)O 5719 [1,0,1,0,0,0|2,0,0]=4 241 B7R0.5 N[C@@H](CCBr)C(=O)O 13813 [1,0,1,0,0,0|2,0,0]=4 242 B7R0.5 N[C@@H](CCO)C(=O)O 11050 [1,0,1,0,0,0|2,0,0]=4 243 B7R0.5 N[C@@H](CCS)C(=O)O 26604 [1,0,1,0,0,0|2,0,0]=4 244 B7R0.5 N[C@H](CCO)C(=O)O 13826 [1,0,1,0,0,0|2,0,0]=4 245 B7R0.5 O=C(O)[C@@H](O)CCO 16051 [1,0,1,0,0,0|2,0,0]=4 246 B7R0.15 CC[C@H](CO)C(=O)O 14232 [1,0,1,0,0,0|1,0,0]=3 247 B7R1.3 BrC1CCCCN1 6734 [2,0,0,0,0,0|2,0,0]=4 248 B7R1.3 BrC1CCCNC1 6733 [2,0,0,0,0,0|2,0,0]=4 249 B7R1.3 BrC1CCNCC1 9060 [2,0,0,0,0,0|2,0,0]=4 250 B7R1.3 BrC1CCOCC1 13108 [2,0,0,0,0,0|2,0,0]=4 251 B7R1.3 CC1CCCCN1 7704 [2,0,0,0,0,0|1,0,1]=4 252 B7R1.3 CC1CCCNC1 7705 [2,0,0,0,0,0|1,0,1]=4 253 B7R1.3 CC1CCNCC1 7707 [2,0,0,0,0,0|1,0,1]=4 254 B7R1.3 CN1CCCCC1 7703 [2,0,0,0,0,0|1,0,1]=4 255 B7R1.3 C[C@@H]1CCCCN1 14248 [2,0,0,0,0,0|1,0,1]=4 256 B7R1.3 C[C@H]1CCCCN1 15597 [2,0,0,0,0,0|1,0,1]=4 257 B7R1.3 ClC1CCCCN1 6738 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.3 ClC1CCNCC1 30446 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 ClC1CCNCC1 6744 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.3 ClC1CCOCC1 36112 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.3 FC1CCCNC1 24370 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 FC1CCNCC1 44985 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.3 F[C@@H]1CCCNC1 24371 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.3 F[C@H]1CCCNC1 24372 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.3 IC1CCOCC1 44921 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.3 NC1CCCCN1 6729 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.3 NC1CCCNC1 6731 [2,0,0,0,0,0|2,0,0]=4 268 B7R1.3 NC1CCCNC1 6755 [2,0,0,0,0,0|2,0,0]=4 269 B7R1.3 NC1CCCOC1 20424 [2,0,0,0,0,0|2,0,0]=4 270 B7R1.3 NC1CCNCC1 6727 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.3 NC1CCNCC1 7722 [2,0,0,0,0,0|2,0,0]=4 272 B7R1.3 NC1CCOCC1 22240 [2,0,0,0,0,0|2,0,0]=4 273 B7R1.3 NC1CCOCC1 26069 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.3 NC1CCOCC1 9558 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.3 NC1CCOCC1 9675 [2,0,0,0,0,0|2,0,0]=4 276 B7R1.3 NC1CCSCC1 18748 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.3 NN1CCCCC1 23024 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.3 NN1CCCCC1 23261 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.3 N[C@@H]1CCCNC1 3013 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.3 N[C@@H]1CCCOC1 19625 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.3 N[C@@H]1CCCOC1 22289 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.3 N[C@H]1CCCNC1 11476 [2,0,0,0,0,0|2,0,0]=4 283 B7R1.3 N[C@H]1CCCOC1 19623 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.3 N[C@H]1CCCOC1 22290 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.3 O=C1CCCCN1 16892 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.3 O=C1CCCCO1 20208 [2,0,0,0,0,0|1,0,1]=4 287 B7R1.3 O=C1CCCNC1 24362 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.3 O=C1CCCNC1 26624 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.3 O=C1CCCOC1 15125 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.3 O=C1CCCOC1 19912 [2,0,0,0,0,0|1,0,1]=4 291 B7R1.3 O=C1CCNCC1 6789 [2,0,0,0,0,0|1,0,1]=4 292 B7R1.3 O=C1CCNCC1 7756 [2,0,0,0,0,0|1,0,1]=4 293 B7R1.3 O=C1CCOCC1 9557 [2,0,0,0,0,0|1,0,1]=4 294 B7R1.3 O=C1CCSCC1 18603 [2,0,0,0,0,0|1,0,1]=4 295 B7R1.3 OC1CCCCN1 6787 [2,0,0,0,0,0|1,0,0]=3 296 B7R1.3 OC1CCCNC1 6782 [2,0,0,0,0,0|1,0,0]=3 297 B7R1.3 OC1CCCNC1 6818 [2,0,0,0,0,0|1,0,0]=3 298 B7R1.3 OC1CCCOC1 20064 [2,0,0,0,0,0|1,0,0]=3 299 B7R1.3 OC1CCNCC1 6780 [2,0,0,0,0,0|1,0,0]=3 300 B7R1.3 OC1CCNCC1 7714 [2,0,0,0,0,0|1,0,0]=3 301 B7R1.3 OC1CCOCC1 10170 [2,0,0,0,0,0|1,0,0]=3 302 B7R1.3 O[C@@H]1CCCNC1 11310 [2,0,0,0,0,0|1,0,0]=3 303 B7R1.3 O[C@@H]1CCCNC1 24363 [2,0,0,0,0,0|1,0,0]=3 304 B7R1.3 O[C@@H]1CCCOC1 24398 [2,0,0,0,0,0|1,0,0]=3 305 B7R1.3 O[C@H]1CCCNC1 11309 [2,0,0,0,0,0|1,0,0]=3 306 B7R1.3 O[C@H]1CCCNC1 24364 [2,0,0,0,0,0|1,0,0]=3 307 B7R1.3 O[C@H]1CCCOC1 24399 [2,0,0,0,0,0|1,0,0]=3 308 B9R0.2 CC(=O)OCCCCCCl 3676 [0,1,1,0,0,0|2,0,0]=4 309 B9R0.2 CCCCCCCC(=O)[O-] 12870 [0,1,1,0,0,0|0,0,1]=3 310 B9R0.4 CSCC[C@H](N)CC(=O)O 30081 [0,1,1,0,0,0|1,0,0]=3 311 B9R0.38 CCCCCCS(=O)(=O)[O-] 25499 [0,1,1,0,0,0|1,0,1]=4 312 B9R0.46 CCCCCCC(O)CO 36051 [0,1,1,0,0,0|0,0,2]=4 313 B9R0.46 COC(=O)CCCCCBr 16910 [0,1,1,0,0,0|1,0,0]=3 314 B9R0.47 NCCCCC(N)C(=O)O 12390 [0,1,1,0,0,0|1,0,0]=3 315 B9R0.47 NCCCCC(N)C(=O)O 12448 [0,1,1,0,0,0|1,0,0]=3 316 B9R0.47 NCCCC[C@@H](N)C(=O)O 13028 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.47 NCCCC[C@@H](N)C(=O)O 17982 [0,1,1,0,0,0|1,0,0]=3 318 B9R0.47 NCCCC[C@@H](N)C(=O)O 6286 [0,1,1,0,0,0|1,0,0]=3 319 B9R0.47 NCCCC[C@@H](N)C(N)=O 35109 [0,1,1,0,0,0|2,0,0]=4 320 B9R0.47 NCCCC[C@H](N)C(=O)O 23203 [0,1,1,0,0,0|1,0,0]=3 321 B9R0.47 NCCCC[C@H](N)C(=O)O 36140 [0,1,1,0,0,0|1,0,0]=3 322 B9R0.47 NCCCC[C@H](N)C(=O)O 36361 [0,1,1,0,0,0|1,0,0]=3 323 B9R0.47 NCCCC[C@H](N)C(=O)O 7967 [0,1,1,0,0,0|1,0,0]=3 324 B9R0.47 N[C@@H](CCCCO)C(=O)O 29947 [0,1,1,0,0,0|1,0,0]=3 325 B9R0.6 CCCC(N)C(O)C(=O)O 9691 [0,1,1,0,0,0|1,0,0]=3 326 B9R0.6 CCC[C@H](N)[C@H](O)C(=O)O 24508 [0,1,1,0,0,0|1,0,0]=3 327 B9R0.7 CC(=O)SCC(C)C(=O)O 14067 [0,1,1,0,0,0|1,0,1]=4 328 B9R0.7 CC(C)CC[C@@H](N)C(=O)O 29929 [0,1,1,0,0,0|1,0,0]=3 329 B9R0.7 CC(C)CC[C@H](N)C(=O)O 29928 [0,1,1,0,0,0|1,0,0]=3 330 B9R0.7 CC(CCC(=O)O)C(=O)O 25995 [0,1,1,0,0,0|1,0,1]=4 331 B9R0.8 COC(=O)[C@@H](N)CCCN 18996 [0,1,1,0,0,0|2,0,0]=4 332 B9R0.8 COC(=O)[C@@H](N)CCSC 14925 [0,1,1,0,0,0|2,0,0]=4 333 B9R0.13 CCCCC(CC)C(=O)Cl 35126 [0,1,1,0,0,0|1,0,0]=3 334 B9R0.13 CCCCC(CC)C(=O)[O-] 25433 [0,1,1,0,0,0|0,0,1]=3 335 B9R0.13 CCCC[C@H](CO)C(=O)O 14233 [0,1,1,0,0,0|0,0,0]=2 336 B9R0.42 COC(=O)C[C@H](C)C(=O)O 23241 [0,1,1,0,0,0|1,0,1]=4 337 B9R0.51 CCCCC(F)(F)C(=O)O 14260 [0,1,1,0,0,0|1,0,0]=3 338 B9R1.1 CN1CCC(CO)CC1 8875 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 23334 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.1 CO[C@H]1CC[C@H](N)CC1 23335 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.1 N#CC1CCC(O)CC1 18414 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.1 O=C1CCC(CO)CC1 20341 [1,1,0,0,0,0|0,0,2]=4 343 B9R1.1 O=CC1CCC(=O)CC1 2083 [1,1,0,0,0,0|0,0,1]=3 344 B9R1.2 CN1CCCC(CO)C1 8874 [1,1,0,0,0,0|1,0,1]=4 345 B9R1.8 COCC1CCCCN1 17613 [1,1,0,0,0,0|1,0,1]=4 346 B9R1.8 N#CCC1CCCCC1 31720 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.8 OCCC1CCCCN1 7711 [1,1,0,0,0,0|1,0,1]=4 348 B9R1.8 OCCC1CCNCC1 6947 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.15 CN1CCCCC1CO 8873 [1,1,0,0,0,0|1,0,1]=4 350 B9R1.15 O=C1CCCCC1CO 20380 [1,1,0,0,0,0|0,0,2]=4 351 B9R1.118 C#CC1(O)CCCCC1 1896 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.118 CCC1(O)CCCCC1 20382 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.118 CCC1(O)CCCCC1 35497 [1,1,0,0,0,0|1,0,1]=4 354 B9R1.11 COC(=O)C1=CCCC1 2487 [0,1,0,0,1,0|0,0,2]=4 355 B9R1.11 COC(=O)C1CCCO1 2380 [0,1,0,0,1,0|1,0,0]=3 356 B9R1.11 COC(=O)C1CCNC1 18897 [0,1,0,0,1,0|1,0,0]=3 357 B9R1.11 COC(=O)[C@@H]1CCCN1 10887 [0,1,0,0,1,0|1,0,0]=3 358 B9R1.11 COC(=O)[C@@H]1CCNC1 20164 [0,1,0,0,1,0|1,0,0]=3 359 B9R1.11 COC(=O)[C@H]1CCCN1 10888 [0,1,0,0,1,0|1,0,0]=3 360 B9R1.11 NCC(=O)N1CCCC1 26419 [0,1,0,0,1,0|2,0,0]=4 361 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 18728 [0,1,0,0,1,0|0,0,2]=4 362 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 29936 [0,1,0,0,1,0|0,0,2]=4 363 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 18730 [0,1,0,0,1,0|0,0,0]=2 364 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 18731 [0,1,0,0,1,0|0,0,0]=2 365 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 18392 [0,1,0,0,1,0|1,0,0]=3 366 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 21927 [0,1,0,0,1,0|1,0,0]=3 367 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 10982 [0,1,0,0,1,0|1,0,0]=3 368 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 26320 [0,1,0,0,1,0|1,0,0]=3 369 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 18395 [0,1,0,0,1,0|1,0,0]=3 370 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 12571 [0,1,0,0,1,0|1,0,0]=3 371 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 26283 [0,1,0,0,1,0|1,0,0]=3 372 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 12607 [0,1,0,0,1,0|1,0,0]=3 373 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 19691 [0,1,0,0,1,0|1,0,0]=3 374 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 8292 [0,1,0,0,1,0|1,0,0]=3 375 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 13973 [0,1,0,0,1,0|1,0,0]=3 376 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 9966 [0,1,0,0,1,0|1,0,0]=3 377 B9R1.35 O=C1CCC(C(=O)O)C1 11090 [0,1,0,0,1,0|0,0,1]=3 378 B9R1.35 O=C1CCC(C(=O)O)N1 9493 [0,1,0,0,1,0|1,0,1]=4 379 B9R1.35 O=C1CCC(C(=O)O)O1 29015 [0,1,0,0,1,0|1,0,1]=4 380 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 8104 [0,1,0,0,1,0|1,0,1]=4 381 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 29008 [0,1,0,0,1,0|1,0,1]=4 382 B9R1.35 O=C1CC[C@H](C(=O)O)N1 8103 [0,1,0,0,1,0|1,0,1]=4 383 B9R1.35 O=C1CN[C@H](C(=O)O)C1 14289 [0,1,0,0,1,0|1,0,1]=4 384 B9R1.41 NC1=C(C(=O)O)CCC1 19543 [0,1,0,0,1,0|0,0,2]=4 385 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O 23256 [0,1,0,0,1,0|0,0,0]=2 386 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 19520 [0,1,0,0,1,0|0,0,0]=2 387 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O 23258 [0,1,0,0,1,0|0,0,0]=2 388 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 23259 [0,1,0,0,1,0|0,0,0]=2 389 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O 27193 [0,1,0,0,1,0|0,0,0]=2 390 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 23257 [0,1,0,0,1,0|0,0,0]=2 391 B9R1.163 CC(=O)C1(O)CCCC1 17644 [0,1,0,0,1,0|1,0,0]=3 392 B9R1.163 C[C@@]1(C(=O)O)CCCN1 22259 [0,1,0,0,1,0|1,0,0]=3 393 B9R1.163 C[C@@]1(C(=O)O)CCCN1 29353 [0,1,0,0,1,0|1,0,0]=3 394 B9R1.163 NC1(C(=O)O)CCCC1 13875 [0,1,0,0,1,0|0,0,0]=2 395 B9R1.163 NC1(C(=O)O)CCOC1 15117 [0,1,0,0,1,0|1,0,0]=3 396 B9R1.163 N[C@@]1(C(=O)O)CCOC1 24358 [0,1,0,0,1,0|1,0,0]=3 397 B9R1.163 N[C@]1(C(=O)O)CCOC1 24359 [0,1,0,0,1,0|1,0,0]=3 398 B9R1.163 O=C(O)C1(F)CCCC1 34790 [0,1,0,0,1,0|0,0,0]=2 399 B11R1.20 CC(=O)NC1CCC(=O)CC1 16424 [0,1,0,0,0,1|1,0,1]=4 400 B11R1.20 CC(=O)OC1CCC(O)CC1 24998 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 12312 [0,1,0,0,0,1|0,0,0]=2 402 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 23446 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.36 N[C@@H](C(=O)O)C1CCOCC1 23587 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 19352 [0,1,0,0,0,1|0,0,0]=2 405 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 30399 [0,1,0,0,0,1|1,0,0]=3 406 B11R1.40 COC(=O)CC1CCCCC1 20243 [0,1,0,0,0,1|0,0,0]=2 407 B11R1.40 COC(=O)CC1CCCNC1 11376 [0,1,0,0,0,1|1,0,0]=3 408 B11R1.40 COC(=O)CC1CCNCC1 14078 [0,1,0,0,0,1|1,0,0]=3 409 B11R1.40 COC(=O)CC1CCNCC1 14079 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.40 COC(=O)CC1COCCN1 24086 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.40 COC(=O)C[C@@H]1CCCNC1 11381 [0,1,0,0,0,1|1,0,0]=3 412 B11R1.40 COC(=O)C[C@@H]1COCCN1 17872 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.40 COC(=O)C[C@H]1CCCNC1 11385 [0,1,0,0,0,1|1,0,0]=3 414 B11R1.143 N[C@@H]1CCCCC[C@@H]1C(=O)O 23253 [0,1,0,0,0,1|0,0,0]=2 415 B11R1.3 CC(=O)N1CCC(CN)CC1 22187 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 2491 [0,2,0,0,0,0|0,0,0]=2 417 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 19810 [0,2,0,0,0,0|0,0,0]=2 418 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 26469 [0,2,0,0,0,0|0,0,0]=2 419 B11R1.19 CC(C)(O)[C@H]1CC[C@H](N)CC1 36094 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.22 COC(=O)C1CCC(=O)CC1 14010 [0,2,0,0,0,0|0,0,1]=3 421 B11R1.22 COC(=O)C1CCC(O)CC1 18773 [0,2,0,0,0,0|0,0,0]=2 422 B11R1.22 COC(=O)C1CCN(C)CC1 11772 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 31722 [0,2,0,0,0,0|0,0,0]=2 424 B11R1.727 O=C(O)C1CCC(F)(F)CC1 15915 [0,2,0,0,0,0|0,0,0]=2 425 B11R1.16 CCOC(=O)C1CCCCC1 36040 [0,2,0,0,0,0|0,0,0]=2 426 B11R1.16 CCOC(=O)C1CCCCN1 17507 [0,2,0,0,0,0|1,0,0]=3 427 B11R1.16 CCOC(=O)C1CCCCN1 7720 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.16 CCOC(=O)C1CCCNC1 7719 [0,2,0,0,0,0|1,0,0]=3 429 B11R1.16 CCOC(=O)C1CCNCC1 26169 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.16 CCOC(=O)C1CCNCC1 7219 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.16 CCOC(=O)C1CNCCO1 32242 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.16 CCOC(=O)C1SCCCS1 22055 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.16 CCOC(=O)N1CCNCC1 15287 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 23481 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 11757 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 16883 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 5874 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11758 [0,2,0,0,0,0|1,0,0]=3 439 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11760 [0,2,0,0,0,0|1,0,0]=3 440 B11R1.16 CNCC(=O)N1CCCCC1 8029 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.23 COC(=O)C1CCCN(C)C1 11771 [0,2,0,0,0,0|1,0,0]=3 442 B11R1.23 COC(=O)C1CCNC(=O)C1 26662 [0,2,0,0,0,0|1,0,1]=4 443 B11R1.222 COC(=O)C1CNCCC1=O 12958 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.222 COC(=O)C1CNCCC1=O 30448 [0,2,0,0,0,0|1,0,1]=4 445 B11R1.222 COC(=O)[C@H]1COCC[C@H]1N 19309 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.13 O=C(Cl)OC1CCCC1 25250 [0,0,1,1,0,0|2,0,0]=4 447 B9R1.13 O=C(O)CC1C=CCC1 31950 [0,0,1,1,0,0|0,0,2]=4 448 B9R1.13 O=C(O)CC1CCCO1 15380 [0,0,1,1,0,0|1,0,0]=3 449 B9R1.13 O=C(O)C[C@@H]1CCCN1 15697 [0,0,1,1,0,0|1,0,0]=3 450 B9R1.5 CN1CCCCCC1=O 36383 [0,0,1,1,0,0|2,0,0]=4 451 B9R1.5 NC1CCCCNC1=O 20137 [0,0,1,1,0,0|2,0,0]=4 452 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [0,0,1,1,0,0|2,0,0]=4 453 B9R1.5 N[C@H]1CCCCNC1=O 14097 [0,0,1,1,0,0|2,0,0]=4 454 B9R1.112 N[C@@H](CC1CC1)C(=O)O 17439 [0,0,1,1,0,0|1,0,0]=3 455 B9R1.112 N[C@H](CC1CC1)C(=O)O 29893 [0,0,1,1,0,0|1,0,0]=3 456 B9R1.33 CCCN1CCCC1=O 9160 [0,0,1,1,0,0|2,0,0]=4 457 B9R2.39 OC1CC2CCC1C2 21607 [0,0,0,1,1,0|1,0,1]=4 458 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 21608 [0,0,0,1,1,0|1,0,1]=4 459 B11R2.433 O=C1CN2CCC(CC2)N1 18336 [0,0,0,1,0,1|2,0,0]=4 460 B11R2.1839 O=C(O)C12CCC(CC1)C2 21646 [0,1,0,1,0,0|0,0,0]=2 461 B11R2.1839 O=C(O)C12CCN(CC1)C2 27811 [0,1,0,1,0,0|1,0,0]=3 462 B11R2.845 O=C(O)C1CC2C=CC1C2 19387 [0,1,0,1,0,0|0,0,2]=4 463 B11R2.845 O=C(O)C1CC2CCC1C2 34357 [0,1,0,1,0,0|0,0,0]=2 464 B7R1.1 BrCC1CCCC1 3104 [1,0,0,0,1,0|1,0,1]=4 465 B7R1.1 N#CC1CCCC1 28731 [1,0,0,0,1,0|1,0,1]=4 466 B7R1.1 NNC1CCCC1 16307 [1,0,0,0,1,0|2,0,0]=4 467 B7R1.1 O=CC1CCCC1 27475 [1,0,0,0,1,0|0,0,0]=2 468 B7R1.1 O=CC1CCCO1 27177 [1,0,0,0,1,0|1,0,0]=3 469 B7R1.1 OCC1CCCC1 3097 [1,0,0,0,1,0|0,0,1]=3 470 B7R1.1 OCC1CCCO1 7086 [1,0,0,0,1,0|1,0,1]=4 471 B7R1.1 OCC1CCNC1 15733 [1,0,0,0,1,0|1,0,1]=4 472 B7R1.1 OCC1CCNC1 15883 [1,0,0,0,1,0|1,0,1]=4 473 B7R1.1 OCC1CCOC1 20510 [1,0,0,0,1,0|1,0,1]=4 474 B7R1.1 OC[C@@H]1CCCN1 6910 [1,0,0,0,1,0|1,0,1]=4 475 B7R1.1 OC[C@@H]1CCCO1 26288 [1,0,0,0,1,0|1,0,1]=4 476 B7R1.1 OC[C@@H]1CCNC1 18724 [1,0,0,0,1,0|1,0,1]=4 477 B7R1.1 OC[C@H]1CCCN1 6912 [1,0,0,0,1,0|1,0,1]=4 478 B7R1.1 OC[C@H]1CCCO1 26287 [1,0,0,0,1,0|1,0,1]=4 479 B7R1.1 OC[C@H]1CCNC1 18723 [1,0,0,0,1,0|1,0,1]=4 480 B7R1.18 CC(O)C1CCC1 16458 [0,0,0,0,2,0|1,0,1]=4 481 B7R1.18 NC(=O)C1CNC1 29374 [0,0,0,0,2,0|2,0,0]=4 482 B7R1.18 NC(=O)C1CNC1 29375 [0,0,0,0,2,0|2,0,0]=4 483 B7R1.18 O=C(O)C1CCC1 14139 [0,0,0,0,2,0|0,0,0]=2 484 B7R1.18 O=C(O)C1CCN1 19101 [0,0,0,0,2,0|1,0,0]=3 485 B7R1.18 O=C(O)C1CCN1 24713 [0,0,0,0,2,0|1,0,0]=3 486 B7R1.18 O=C(O)C1CCO1 18479 [0,0,0,0,2,0|1,0,0]=3 487 B7R1.18 O=C(O)C1CNC1 10160 [0,0,0,0,2,0|1,0,0]=3 488 B7R1.18 O=C(O)C1CNC1 30447 [0,0,0,0,2,0|1,0,0]=3 489 B7R1.18 O=C(O)[C@@H]1CCN1 5731 [0,0,0,0,2,0|1,0,0]=3 490 B7R1.18 OB(O)C1CCC1 30320 [0,0,0,0,2,0|1,0,1]=4 491 B9R1.89 O=CC1CCCCCC1 16219 [1,0,0,0,0,1|0,0,0]=2 492 B9R1.89 OCC1CCCCCC1 16220 [1,0,0,0,0,1|0,0,1]=3 493 B11R1.91 CC(=O)\C=C\N1CCCCC1 13810 [0,0,0,0,0,2|2,0,0]=4 494 B11R1.91 O=C(O)CCC1CCCCC1 20248 [0,0,0,0,0,2|0,0,0]=2 495 B11R1.91 O=C(O)CCC1CCNCC1 19136 [0,0,0,0,0,2|1,0,0]=3 496 B11R1.91 OB(O)\C=C\C1CCCCC1 6030 [0,0,0,0,0,2|1,0,1]=4 497 B11R1.742 O=C(O)CC1CCCCCC1 16200 [0,0,0,0,0,2|0,0,0]=2