0 B10R1.66 O=C(O)CCC1CCCO1 4027244 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.66 O=C(O)CCN1CCCC1 4017740 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 O=C(O)CCN1CCCO1 4013267 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 CCOCC1CCCN1 4030295 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.12 O=CCCC1CCCC1 4012707 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.25 O=C(CBr)NCC1CCCO1 4023678 [0,1,0,0,0,0|1,0,0]=2 6 B11R2.141 O=C(O)C1CC12CCCC2 4002211 [0,0,0,1,0,0|3,0,0]=4 7 B11R2.359 O=C1C[C@H]2CC[C@@H](CN1)N2 4032025 [0,0,0,1,0,0|2,0,0]=3 8 B11R2.845 CC(=O)C1CC2CCC1C2 3018453 [0,0,0,1,0,0|2,0,0]=3 9 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1O2 4066258 [0,0,0,1,0,0|2,0,0]=3 10 B11R2.845 O=C(O)[C@H]1C[C@@H]2CC[C@H]1O2 4073739 [0,0,0,1,0,0|2,0,0]=3 11 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 4038019 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.13 O=C(O)CC1CCCN1 4004817 [0,0,0,0,1,0|2,0,0]=3 13 B9R1.13 O=C(O)CC1CCOC1 4004832 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.13 O=C(O)CN1CCCC1 4088005 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.13 O=C(O)CN1CCCC1 4401694 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.84 O=C(O)CCC1CCC1 4030352 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.91 CC(=O)NCC1CCCNC1 4011177 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.91 CC(=O)NCC1CCNCC1 4011179 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.91 CC(=O)NCC1CCNCC1 4091059 [0,0,0,0,0,1|2,0,0]=3 20 B11R1.91 CC(C)OCC1CCNCC1 4043462 [0,0,0,0,0,1|2,0,1]=4 21 B11R1.91 NC(=O)CCC1CCCNC1 4017498 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.91 NC(=O)CCC1CCNCC1 4017497 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.91 O=C(O)CCC1CCCCN1 4028109 [0,0,0,0,0,1|3,0,0]=4 24 B11R1.91 O=C(O)CCC1CCCNC1 4026834 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.91 O=C(O)CCC1CCNCC1 4031110 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.91 O=C(O)CCN1CCCCO1 4013266 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.91 O=C(O)CCN1CCCCO1 4089631 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.172 O=C(O)COCC1CCCN1 4040700 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.172 O=C(O)COCC1CCCN1 4090188 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.172 O=C(O)COCC1CCCO1 4011117 [0,0,0,0,0,1|1,0,0]=2 31 B8R1.8 CNCC1CCCC1 4043685 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.8 CNCC1CCCN1 4111536 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.8 CNCC1CCCO1 4018249 [2,0,0,0,0,0|1,0,0]=3 34 B8R1.8 COCC1CCNC1 4009705 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.21 CCCNCC1CCCO1 4000752 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.21 CNCCCC1CCCO1 4018237 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.21 NCCCCC1CCCO1 4018236 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.21 NCCCCC1CCCO1 4090493 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.64 CN1CCCC1CC(=O)O 4004857 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.27 CNC(=O)CCC1CCCNC1 4041241 [0,1,0,0,0,1|2,0,0]=4 41 B12R1.27 COC(=O)CCC1CCCCN1 4017493 [0,1,0,0,0,1|2,0,0]=4 42 B12R1.27 COC(=O)CCC1CCCNC1 4017491 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.27 COC(=O)CCC1CCNCC1 4017492 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.27 O=C(CCl)NCC1CCCCC1 9071028 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.18 O=C(O)CC1CCCOC1 4004917 [0,0,1,1,0,0|2,0,0]=4 46 B10R1.348 CC(=O)N1CCCNCC1 4028076 [0,0,1,1,0,0|2,0,0]=4 47 B10R1.348 CC(=O)N1CCCNCC1 4089127 [0,0,1,1,0,0|2,0,0]=4 48 B10R1.113 CC(=O)N1CCCC(N)C1 4030057 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.113 CC(=O)N1CCCC(O)C1 4034617 [0,0,1,1,0,0|1,0,0]=3 50 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 4110383 [0,0,1,1,0,0|2,0,0]=4 51 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 4110843 [0,0,1,1,0,0|2,0,0]=4 52 B12R2.2918 O=C1CC2(CCNCC2)CN1 4036520 [0,0,0,1,0,1|2,0,0]=4 53 B12R2.2918 O=C1OCC2(CCNCC2)O1 4038096 [0,0,0,1,0,1|2,0,0]=4 54 B12R2.6 O=C1CCC(C2CCCC2)C1 5100805 [0,0,0,1,0,1|2,0,0]=4 55 B12R2.1175 O=C1CCC2(CCCO2)CC1 4042438 [0,1,0,1,0,0|1,0,0]=3 56 B12R2.1145 O=C(O)[C@@H]1C[C@@H]2C[C@@H](O)[C@H]1O2 4108218 [0,1,0,1,0,0|2,0,0]=4 57 B12R2.1017 O=C(O)[C@@H]1C[C@H]2O[C@@H]1C[C@@H]2O 4108219 [0,1,0,1,0,0|2,0,0]=4 58 B8R0.16 COC(CC(=O)O)OC 4049868 [0,0,1,0,1,0|2,0,0]=4 59 B8R1.7 CC(=O)C1CCCC1 4031395 [0,0,0,0,2,0|1,0,0]=3 60 B8R1.7 CC(=O)C1CCCO1 4075977 [0,0,0,0,2,0|0,0,0]=2 61 B8R1.7 O=C(O)C1CCCS1 4045536 [0,0,0,0,2,0|1,1,0]=4 62 B8R1.34 O=C(O)CC1CCC1 4028895 [0,0,0,0,2,0|1,0,0]=3 63 B10R1.17 CCNCC1CCCCO1 4015227 [1,0,0,0,0,1|1,0,1]=4 64 B10R1.17 CCOCC1CCNCC1 4011221 [1,0,0,0,0,1|1,0,1]=4 65 B10R1.17 CCOCC1CCNCC1 4088861 [1,0,0,0,0,1|1,0,1]=4 66 B10R1.17 CNCCC1CCCCO1 4002170 [1,0,0,0,0,1|2,0,0]=4 67 B10R1.17 COCCC1CNCCO1 4110807 [1,0,0,0,0,1|2,0,0]=4 68 B12R1.252 CC(=O)NCCC1CCCCN1 4011180 [0,0,0,0,0,2|2,0,0]=4 69 B12R1.252 CC(=O)NCCC1CCNCC1 4011182 [0,0,0,0,0,2|2,0,0]=4 70 B12R1.252 O=C(O)COCC1CCCCO1 4011114 [0,0,0,0,0,2|1,0,0]=3