0 B8R0.7 C\C=C\CCCC(=O)O 4074621 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CC(C)CNCCO 4029069 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.4 CC(C)NCCCO 4088008 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.4 CC(C)NCCCO 5116284 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.4 CC(C)OCCCO 4034289 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.4 CCCCCC(=N)N 4012907 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CCCCCC(=N)N 4088605 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 CCCCNC(C)C 4024831 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCOCC(=O)O 4020861 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCCSCC(=O)O 4028731 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCSCCC(=O)O 4028457 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.2 COCCCCCC(=O)O 4021515 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.4 CCCCC(N)CC(=O)O 4012458 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.2 CCN1CCCC(N)C1 4028708 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 4073239 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.2 CN1CCCC(CBr)C1 4041076 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.2 CN1CCCC(CN)C1 4103006 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.6 CC(=O)C1CCCNC1 4005879 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.6 CC(=O)C1CCCNC1 4087824 [0,0,0,1,0,0|1,0,2]=4 20 B9R1.6 CC(C)C1CCCNC1 4016074 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.6 CC(C)C1CCNCC1 4016223 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.6 CC(C)C1CNCCO1 4053190 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.6 CC(N)C1=CCCCC1 4019757 [0,0,0,1,0,0|1,0,2]=4 24 B9R1.6 CC(N)C1CCCCC1 4019758 [0,0,0,1,0,0|1,0,0]=2 25 B9R1.6 CC(N)C1CCCCC1 4087887 [0,0,0,1,0,0|1,0,0]=2 26 B9R1.6 CC(O)C1CCNCC1 4027058 [0,0,0,1,0,0|1,0,0]=2 27 B9R1.6 CN(C)C1CCCNC1 4018212 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.6 CN(C)C1CCNCC1 4018153 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.6 O=C(O)C1CCCCO1 4014945 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.6 O=C(O)C1CCOCC1 4004296 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.7 CCCN1CCC(N)C1 4044403 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.7 CNCC1CCN(C)C1 4003801 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.13 CC(C)CC1CCNC1 4018759 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.13 CC(N)CN1CCCC1 4011425 [0,0,0,1,0,0|2,0,0]=3 35 B9R1.13 CN(C)CC1CCNC1 4013846 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.13 O=C(O)CC1CCCN1 4004817 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.13 O=C(O)CC1CCOC1 4004832 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.13 O=C(O)CN1CCCC1 4088005 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.13 O=C(O)CN1CCCC1 4401694 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.40 CN1CCNCC1(C)C 4027617 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.41 CN(C)[C@@H]1CCC[C@H]1N 4074132 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.41 CN1CCC[C@H]1C(=O)O 4030671 [0,0,0,1,0,0|2,0,1]=4 43 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.48 CC1CN(C)CCCN1 4017933 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.83 COCCNCC1CC1 4032820 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.84 O=C(O)CCC1CCC1 4030352 [0,0,0,1,0,0|1,0,1]=3 48 B9R1.85 O=C(O)CSCC1CC1 4028705 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.148 CC1(N)CCCCCC1 4025641 [0,0,0,1,0,0|1,0,0]=2 50 B9R1.148 CC1(O)CCCNCC1 4037757 [0,0,0,1,0,0|1,0,0]=2 51 B6R0.6 CCCSCCN 4033597 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.6 CCCSCCN 4089004 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.6 CCOCCNC 4030249 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.6 CNCCCOC 4021520 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.6 FCCCCCBr 4041608 [2,0,0,0,0,0|2,0,0]=4 56 B8R0.8 CCCNC(C)C(C)C 4024851 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.8 CCCNC(C)C(C)C 4088422 [1,1,0,0,0,0|2,0,0]=4 58 B8R1.2 BrCC1CCCOC1 4046211 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.2 CCC1CCCNC1 4018855 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.2 CCC1CCNCC1 4004580 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.2 CCC1CCNCC1 4110368 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.2 CCC1CNCCN1 4029768 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.2 CCC1CNCCO1 4018983 [1,0,0,1,0,0|1,0,0]=3 64 B8R1.2 CCC1COCCN1 4021665 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.2 CCC1COCCN1 4087890 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.2 CNC1CCOCC1 4003545 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.2 CNC1CCSCC1 4036158 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.2 COC1CCCNC1 4002969 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.2 COC1CCCNC1 4087774 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.2 COC1CCCNC1 4088818 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.2 COC1CCNCC1 4002968 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.2 COC1CCNCC1 4088815 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.2 ClCC1COCCO1 4015243 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.2 NCC1CCCCO1 4087791 [1,0,0,1,0,0|1,0,0]=3 75 B8R1.2 NCC1CCCOC1 4014028 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.2 NCC1CCCOC1 4087864 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.2 NCC1CCOCC1 4004281 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.2 NCC1CCOCC1 4089498 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.2 NCC1COCCO1 4101741 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.2 OCC1CCCOC1 4027028 [1,0,0,1,0,0|1,0,0]=3 81 B8R1.2 OCC1CCOCC1 4027097 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.2 OCC1COCCN1 4027853 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.2 OCC1COCCO1 4015242 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.5 CC1CNCCN1C 4002085 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.5 CC1CNCCN1C 4089459 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.5 C[C@@H]1CNCCN1C 4062996 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.5 C[C@H]1CNCCN1C 4069956 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [1,0,0,1,0,0|1,0,0]=3 90 B8R1.5 N[C@@H]1COCC[C@@H]1O 4091253 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.5 N[C@@H]1COCC[C@H]1O 4080370 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.5 N[C@H]1CCOC[C@@H]1O 4051506 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.5 O[C@H]1CCNC[C@H]1O 4034770 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.8 BrCCC1CCOC1 4038663 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.8 CCCC1CCNC1 4018767 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.8 CCNC1CCCC1 4024871 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.8 CCOC1CCNC1 4041020 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.8 CNCC1CCCC1 4043685 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.8 CNCC1CCCN1 4111536 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.8 CNCC1CCCO1 4018249 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.8 CNCC1CCOC1 4019736 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.8 COCC1CCNC1 4009705 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.8 NCCC1CCCC1 4015075 [1,0,0,1,0,0|1,0,0]=3 104 B8R1.8 NCCC1CCCC1 4087871 [1,0,0,1,0,0|1,0,0]=3 105 B8R1.8 NCCC1CCOC1 4037193 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.8 OCCC1CCCN1 4019404 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.8 OCCC1CCOC1 4037633 [1,0,0,1,0,0|1,0,0]=3 108 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.11 CN1CCCC1CCl 4041434 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.11 CN1CCCC1CN 4111535 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.11 CN[C@H]1COC[C@@H]1O 4033800 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.11 CO[C@H]1CNC[C@@H]1O 4033113 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.11 NN[C@@H]1CCC[C@H]1O 4035460 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.11 OC[C@H]1CNC[C@@H]1O 4037529 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.22 CC1CCCCCN1 4043402 [1,0,0,1,0,0|1,0,0]=3 117 B8R1.22 CC1CCCNCC1 4041336 [1,0,0,1,0,0|1,0,0]=3 118 B8R1.22 OC1CCCNCC1 4030734 [1,0,0,1,0,0|1,0,0]=3 119 B8R1.1 CCN1CCC(N)C1 4035338 [1,0,0,1,0,0|2,0,0]=4 120 B8R1.4 CN1CCCC(N)C1 4004054 [1,0,0,1,0,0|2,0,0]=4 121 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [1,0,0,1,0,0|1,0,0]=3 122 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.6 NCC[C@H]1C[C@@H](O)C1 4078254 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.7 CC(=O)C1CCCC1 4031395 [1,0,0,1,0,0|0,0,2]=4 125 B8R1.7 CC(N)C1CCCC1 4040740 [1,0,0,1,0,0|1,0,0]=3 126 B8R1.19 CC1CCNC1(C)C 4044856 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.34 O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.35 CC(C)CNC1CC1 4030537 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.35 CC(C)NCC1CC1 4024833 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.72 CC1(C)CCCNC1 4029954 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.72 CC1(C)CCNCC1 4023814 [1,0,0,1,0,0|2,0,0]=4 132 B8R1.72 CC1(N)CCCCC1 4017356 [1,0,0,1,0,0|1,0,0]=3 133 B8R1.72 CC1(O)CCCNC1 4016060 [1,0,0,1,0,0|1,0,0]=3 134 B10R1.13 CC(C)N1CCC(N)CC1 4003465 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.13 CC(C)N1CCC(N)CC1 4091009 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.13 CC(C)N1CCC(O)CC1 4014979 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.13 CC(N)C1CCN(C)CC1 4019769 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.79 NC1CCCC(O)CCC1 4108221 [0,1,0,1,0,0|0,0,0]=2 139 B10R1.10 CC1CCCN(CCN)C1 4027656 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.10 CCCN1CCCC(N)C1 4014926 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.10 CN1CCCC(CCN)C1 4011901 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.10 CNCC1CCCN(C)C1 4103005 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.16 CCNCC1CCN(C)C1 4026487 [0,1,0,1,0,0|2,0,0]=4 144 B10R1.18 CC(=O)CN1CCCCC1 4028176 [0,1,0,1,0,0|0,0,2]=4 145 B10R1.18 CC(C)CC1CNCCO1 4018982 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.18 CC(C)CC1COCCN1 4021667 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.18 CC(C)CC1COCCN1 4087891 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.18 CC(N)CN1CCOCC1 4027661 [0,1,0,1,0,0|2,0,0]=4 149 B10R1.18 CC(O)CN1CCNCC1 4043699 [0,1,0,1,0,0|1,0,0]=3 150 B10R1.18 CN(C)CC1CCCNC1 4103001 [0,1,0,1,0,0|2,0,0]=4 151 B10R1.18 CN(C)CC1CCNCC1 4103002 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.18 C[C@@H](O)CN1CCNCC1 4067255 [0,1,0,1,0,0|1,0,0]=3 153 B10R1.18 O=C(O)CC1CCCCN1 4088025 [0,1,0,1,0,0|1,0,1]=4 154 B10R1.18 O=C(O)CC1CCCCN1 4142131 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.18 O=C(O)CC1CCCOC1 4004917 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.18 O=C(O)CC1CCNCC1 4091105 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.18 O=C(O)CC1CCNCC1 4142132 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.18 O=C(O)CN1CCCCC1 4088006 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.18 O=C(O)CN1CCCCC1 4401702 [0,1,0,1,0,0|1,0,1]=4 160 B10R1.38 CCN1CCNCC1(C)C 4028306 [0,1,0,1,0,0|2,0,0]=4 161 B10R1.39 CCN1CCC[C@H]1C(=O)O 4044757 [0,1,0,1,0,0|1,0,1]=4 162 B10R1.39 NCC1CCCN1C(C)C 4010655 [0,1,0,1,0,0|2,0,0]=4 163 B10R1.61 CC(C)N1CCNCC1C 4016234 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 3003016 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.61 CN1CCCCC1C(=O)O 4400178 [0,1,0,1,0,0|1,0,1]=4 166 B10R1.64 CN1CCCC1CC(=O)O 4004857 [0,1,0,1,0,0|1,0,1]=4 167 B10R1.66 O=C(O)CCC1CCCO1 4027244 [0,1,0,1,0,0|1,0,1]=4 168 B10R1.66 O=C(O)CCN1CCCC1 4017740 [0,1,0,1,0,0|1,0,1]=4 169 B10R1.144 CCCCC1CC1C(=O)O 6156098 [0,1,0,1,0,0|1,0,1]=4 170 B10R1.348 CC(C)N1CCCNCC1 4004633 [0,1,0,1,0,0|2,0,0]=4 171 B10R1.348 CC(C)N1CCCNCC1 4091225 [0,1,0,1,0,0|2,0,0]=4 172 B10R1.348 CN(C)C1CCCCNC1 4016778 [0,1,0,1,0,0|2,0,0]=4 173 B10R1.348 CN(C)C1CCCNCC1 4038770 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.348 CN(C)[C@H]1CCCCNC1 4045210 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.276 CC1(C)CNCCC(O)C1 4044024 [0,1,0,1,0,0|1,0,0]=3 176 B10R1.28 CC(C)(O)C1CCCNC1 4018255 [0,1,0,1,0,0|1,0,0]=3 177 B10R1.28 CC(C)(O)C1CCNCC1 4018256 [0,1,0,1,0,0|1,0,0]=3 178 B10R1.281 CC(C)(N)CN1CCCC1 4014545 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.1 NCCN1CCC(O)CC1 4011100 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.7 N[C@H]1CCCCCC[C@@H]1O 4110432 [0,1,0,1,0,0|0,0,0]=2 181 B10R1.15 CC(CN)N1CCCCC1 4014558 [0,1,0,1,0,0|2,0,0]=4 182 B10R1.15 CC(CN)N1CCCCC1 4110760 [0,1,0,1,0,0|2,0,0]=4 183 B10R1.15 CC(CO)C1CCNCC1 4036094 [0,1,0,1,0,0|1,0,0]=3 184 B10R1.15 CCC(O)C1CCNCC1 4005900 [0,1,0,1,0,0|1,0,0]=3 185 B10R1.15 OCC(O)C1CCNCC1 4065256 [0,1,0,1,0,0|1,0,0]=3 186 B10R1.27 CC(CO)CN1CCCC1 4028327 [0,1,0,1,0,0|1,0,0]=3 187 B10R1.27 CCC(C)NC1CCCC1 5938899 [0,1,0,1,0,0|2,0,0]=4 188 B10R1.27 NCC(O)CN1CCCC1 4030562 [0,1,0,1,0,0|1,0,0]=3 189 B10R1.96 CCCN1CCC(CN)C1 4026446 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.96 CCCN1CCC(CO)C1 4026413 [0,1,0,1,0,0|1,0,0]=3 191 B10R1.172 CCN1CCCC(C=O)C1 4017901 [0,1,0,1,0,0|1,0,1]=4 192 B10R1.172 CCN1CCCC(CN)C1 4010586 [0,1,0,1,0,0|2,0,0]=4 193 B10R1.172 CCN1CCCC(CO)C1 4010735 [0,1,0,1,0,0|1,0,0]=3 194 B10R1.232 OCC1(O)CCCNCC1 4038886 [0,1,0,1,0,0|1,0,0]=3 195 B10R1.113 CC(=O)N1CCCC(O)C1 4034617 [0,1,0,1,0,0|1,0,1]=4 196 B10R1.113 CN(C)[C@@H]1CCC[C@H](O)C1 4037670 [0,1,0,1,0,0|1,0,0]=3 197 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 4110383 [0,1,0,1,0,0|1,0,1]=4 198 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 4110843 [0,1,0,1,0,0|1,0,1]=4 199 B10R1.363 O=C(O)C1(O)CCCCC1 4033358 [0,1,0,1,0,0|1,0,1]=4 200 B10R2.99 BrC[C@@H]1C[C@@H]2CC[C@H]1O2 4072195 [0,0,0,2,0,0|1,0,0]=3 201 B10R2.99 BrC[C@H]1C[C@@H]2CC[C@H]1O2 4053281 [0,0,0,2,0,0|1,0,0]=3 202 B10R2.99 NC[C@@H]1C[C@@H]2CC[C@H]1O2 4073811 [0,0,0,2,0,0|1,0,0]=3 203 B10R2.408 C1C[C@@H]2CNC[C@H](C1)C2 4101942 [0,0,0,2,0,0|2,0,0]=4 204 B10R2.534 CC1CNCC2(CC2)C1 4086669 [0,0,0,2,0,0|2,0,0]=4