0 B6R0.6 CCC#CCCO 26852 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 CCCCCC=O 24524 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 CC\C=C/CCO 29788 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 ClCCOCCCl 32063 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 NCCCCCO 15142 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 OCCCCCO 01575 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.2 BrCCCCBr 07234 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.2 C#CCCCC 27224 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.2 C#CCCCCl 26766 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.2 C#CCCCO 26853 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.2 C=CCCCN 20850 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 CCC#CCO 27593 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.2 COCCCCl 17320 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.2 CSCCCO 29789 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 N#CCCCBr 01488 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.2 NCCCCN 21982 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 NCCCCN 21983 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.2 NCCCCO 14276 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.1 BrCCCCCCBr 26744 [0,1,0,0,0,0|3,0,0]=4 19 B7R0.1 C#CCCCCCC 27226 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.1 CCCC#CCCC 27223 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.1 CCCC#CCCO 27560 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.1 CCCCCCC=O 30760 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.1 CCCCCCCO 30761 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.1 NCCCCCCN 07374 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.1 NCCCCCCO 14317 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.1 NCCSSCCN 05024 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.1 O=CCCCCCCl 26394 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.3 CCCC[C@@H](N)CO 16568 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.3 CCCC[C@H](N)CO 16569 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.3 CSCCC(N)CO 12387 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.3 CSCC[C@@H](N)CO 03205 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.3 CSCC[C@H](N)CO 03204 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.4 NCCCCC(=O)O 06917 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.4 NCCCCC(=O)O 21636 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.4 NCCNCC(=O)O 09646 [0,1,0,0,0,0|1,0,1]=3 36 B7R0.4 O=C(O)CCCCBr 22022 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.4 O=C(O)CCCCCl 26912 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.7 CCCN(C)CCC 22423 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.7 O=C(CCO)CCO 18449 [0,1,0,0,0,0|1,0,0]=2 40 B7R1.1 OCC1CCNC1 19499 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.1 OC[C@@H]1CCCN1 03214 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.1 OC[C@H]1CCCN1 03215 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.3 BrC1CCCCC1 26900 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.3 BrC1CCCNC1 20113 [0,0,0,1,0,0|2,0,0]=3 45 B7R1.3 BrC1CCCOC1 20114 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.3 CC1CCCCN1 24503 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.3 C[C@@H]1CNCCN1 30719 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.3 C[C@H]1CNCCN1 30718 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 ClC1CCCCC1 26901 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.3 ClC1CCCNC1 20123 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.3 NC1CCCCC1 03599 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.3 NC1CCCNC1 30331 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 NC1CCCOC1 18227 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.3 NC1CCCOC1 20873 [0,0,0,1,0,0|3,0,0]=4 55 B7R1.3 O=C1CCCNC1 14263 [0,0,0,1,0,0|1,0,2]=4 56 B7R1.3 OC1CCCCC1 00484 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.3 OC1CCCOC1 20872 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.3 OC1CCNCC1 24505 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.3 O[C@@H]1CCCNC1 29212 [0,0,0,1,0,0|1,0,0]=2 60 B7R1.3 O[C@H]1CCCNC1 29120 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.7 ClCCOC1CC1 19529 [0,0,0,1,0,0|3,0,0]=4 62 B4R0.2 C#CCCC 27222 [2,0,0,0,0,0|1,0,1]=4 63 B4R0.2 C#CCCO 24463 [2,0,0,0,0,0|0,0,2]=4 64 B4R0.2 CC#CCO 26851 [2,0,0,0,0,0|0,0,2]=4 65 B4R0.2 CCCCBr 24440 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.2 CCNCC 14089 [2,0,0,0,0,0|0,0,0]=2 67 B4R0.2 CNCCCl 22455 [2,0,0,0,0,0|1,0,0]=3 68 B4R0.2 COCCBr 26740 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 ClCCCBr 24449 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.2 N#CCCO 00795 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.2 NCCCBr 15159 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.2 NCCCN 24749 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.2 NCCCO 15138 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.2 OCCCBr 24461 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.2 OCCCO 24462 [2,0,0,0,0,0|0,0,0]=2 76 B6R0.1 CCC[C@@H](N)CO 16570 [1,1,0,0,0,0|1,0,0]=3 77 B6R0.1 CCC[C@H](N)CO 16550 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.4 CC(C)NCCN 22357 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.4 CCCNC(C)C 22381 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.4 NCCCC(=O)O 04887 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.4 O=C(O)CCCBr 26847 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.4 O=C(O)CCCS 22299 [1,1,0,0,0,0|0,1,1]=4 83 B8R0.4 CCCCC#CCCO 27561 [0,2,0,0,0,0|2,0,0]=4 84 B8R0.4 CCCCCOCCO 11137 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.4 COCCOCCOC 14098 [0,2,0,0,0,0|1,0,0]=3 86 B8R0.4 OCCCCCCCO 21818 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.6 C#CC(O)CCCCC 26915 [0,2,0,0,0,0|2,0,0]=4 88 B8R0.6 C=CC(O)CCCCC 31191 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.7 CCCCCCC(=O)O 30743 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.7 CCCCCC[C@@H](C)O 24592 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.7 NCCCCCC(=O)O 02556 [0,2,0,0,0,0|2,0,0]=4 92 B8R0.7 O=C(O)CCCCCBr 24477 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.7 O=C(O)CCCCCS 29135 [0,2,0,0,0,0|1,1,0]=4 94 B8R0.28 O=C(O)CNCC(=O)O 06898 [0,2,0,0,0,0|0,0,2]=4 95 B6R1.1 C1=CCCCC1 27684 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.1 C1=COCCC1 12988 [1,0,0,1,0,0|1,0,1]=4 97 B6R1.1 C1CCNCC1 02351 [1,0,0,1,0,0|1,0,0]=3 98 B6R1.1 C1CNCCN1 06899 [1,0,0,1,0,0|1,0,0]=3 99 B6R1.1 C1CSCCN1 22053 [1,0,0,1,0,0|0,1,0]=3 100 B6R1.2 BrC1CCCC1 14052 [1,0,0,1,0,0|2,0,0]=4 101 B6R1.2 ClC1CCCC1 26772 [1,0,0,1,0,0|2,0,0]=4 102 B6R1.2 F[C@@H]1CCNC1 16524 [1,0,0,1,0,0|1,0,0]=3 103 B6R1.2 F[C@H]1CCNC1 16630 [1,0,0,1,0,0|1,0,0]=3 104 B6R1.2 NC1CCOC1 18225 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.2 O=C1CCNC1 31268 [1,0,0,1,0,0|0,0,2]=4 106 B6R1.2 O=C1NCCO1 31325 [1,0,0,1,0,0|0,0,2]=4 107 B6R1.2 O[C@@H]1CCNC1 16552 [1,0,0,1,0,0|0,0,0]=2 108 B6R1.2 O[C@@H]1CCNC1 28168 [1,0,0,1,0,0|0,0,0]=2 109 B6R1.2 O[C@H]1CCNC1 16510 [1,0,0,1,0,0|0,0,0]=2 110 B6R1.6 OCC1COC1 31941 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.2 NCC1CCCCO1 19333 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.2 NCC1CCCOC1 17780 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.2 NCC1COCCO1 17221 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.2 NOC1CCCCO1 31337 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.2 OCC1CCC=CO1 12987 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.2 OCC1CCNCC1 28956 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.8 COC[C@@H]1CCCN1 06620 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.8 COC[C@H]1CCCN1 12146 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.8 OCCN1CCCC1 26862 [0,1,0,1,0,0|1,0,0]=3 120 B8R1.22 OC1CCCNCC1 19288 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.1 O=C1CC[C@@H](CO)N1 06624 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.3 N[C@H]1CC[C@H](O)CC1 17269 [0,1,0,1,0,0|2,0,0]=4 123 B8R1.50 O=C1OC[C@@H](O)[C@H]1O 32193 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.4 CC1CNCC(C)C1 26975 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.4 NC1CCCC(O)C1 18017 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.7 CC(C)C1CCCN1 23556 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.7 O=C(O)C1CCCN1 01318 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.7 O=C(O)[C@@H]1CCCN1 00256 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.7 O=C(O)[C@@H]1CCCO1 30721 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.7 O=C(O)[C@H]1CCCN1 00355 [0,1,0,1,0,0|1,0,1]=4 131 B8R1.7 O=C(O)[C@H]1CCCO1 30720 [0,1,0,1,0,0|1,0,1]=4 132 B8R1.72 CC1(C)CNCCN1 17960 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.72 CC1(O)CCCNC1 26715 [0,1,0,1,0,0|1,0,0]=3