0 B14R2.18552 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)S[13CH3] 62a_100015940049_200025704644 [0,1,0,0,0,0|1,0,0]=2 1 B14R2.18552 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)S[13CH3] 62a_200025704644_100015940049 [0,1,0,0,0,0|1,0,0]=2 2 B14R2.18552 CN[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 2230a_106832991635_100015940049 [0,1,0,0,0,0|1,0,0]=2 3 B14R2.18552 CN[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 34a_100102657272_100015940049 [0,1,0,0,0,0|1,0,0]=2 4 B14R2.18552 CN[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 7a_106832991635_100015940049 [0,1,0,0,0,0|1,0,0]=2 5 B14R2.18552 CO[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 34a_100138415774_100015940049 [0,1,0,0,0,0|1,0,0]=2 6 B14R2.18552 CS[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 62a_100015940049_200000210301 [0,1,0,0,0,0|1,0,0]=2 7 B14R2.18552 CS[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 62a_200000210301_100015940049 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.893 CC(C)N1CCN(C(=O)C1C)C 2230a_100000708691_100000210206 [0,0,1,0,0,0|3,0,0]=4 9 B12R1.893 CC(C)N1CCN(C(=O)C1C)C 269982a_100000708691_100000210206 [0,0,1,0,0,0|3,0,0]=4 10 B12R1.893 CC(C)N1CCN(C(=O)C1C)C 34a_100000708691_100000210206 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.1702 C=CC(C)N1CCC(C1(C)C)C 269982a_102516457003_100011215867 [0,0,1,0,0,0|3,0,0]=4 12 B11R1.21 CC(C)N1CCN(C(=O)C1)C 2230a_100000187256_100000210206 [1,0,1,0,0,0|2,0,0]=4 13 B11R1.21 CC(C)N1CCN(C(=O)C1)C 269982a_100000187256_100000210206 [1,0,1,0,0,0|2,0,0]=4 14 B11R1.126 C=CCN1CCC(C1(C)C)C 2230a_102516457003_100000210623 [1,0,1,0,0,0|2,0,0]=4 15 B11R1.126 C=CCN1CCC(C1(C)C)C 269982a_102516457003_100000210623 [1,0,1,0,0,0|2,0,0]=4 16 B11R1.126 C=CCN1CCC(C1(C)C)C 34a_102516457003_100015514636 [1,0,1,0,0,0|2,0,0]=4 17 B11R1.126 CC1CCN(C1(C)C)CC=O 2230a_102516457003_200015260668 [1,0,1,0,0,0|1,0,0]=3 18 B11R1.126 CC1CCN(C1(C)C)CC=O 269982a_102516457003_200015260668 [1,0,1,0,0,0|1,0,0]=3 19 B11R1.126 CC1CCN(C1(C)C)CC=O 34a_102516457003_200009817547 [1,0,1,0,0,0|1,0,0]=3 20 B11R1.227 CC1(CCCN1C(=O)CO)C 240690a_100000761399_100000210174 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.227 CC1(CCCN1C(=O)CO)C 527a_100000761399_100000210174 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.227 CCC(=O)N1CCCC1(C)C 11a_100000761399_100000210414 [1,0,1,0,0,0|2,0,0]=4 23 B11R1.227 CCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210414 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.227 CCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210414 [1,0,1,0,0,0|2,0,0]=4 25 B11R1.227 CCC(=O)N1CCCC1(C)C 527a_100000761399_100000210414 [1,0,1,0,0,0|2,0,0]=4 26 B11R1.227 CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210202 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.227 C[N+]1(CCC[C@H]1C(=O)CF)C 1458a_100016991750_100015361967 [1,0,1,0,0,0|1,1,0]=4 28 B13R1.960 CC1CCN(C1(C)C)C(C=O)C=O 2230a_102516457003_100000736813 [0,1,1,0,0,0|2,0,0]=4 29 B13R1.960 CC1CCN(C1(C)C)C(C=O)C=O 34a_102516457003_100000736813 [0,1,1,0,0,0|2,0,0]=4 30 B13R1.5900 CC(=O)C(C)N1CCC(C1(C)C)C 2230a_102516457003_100009814033 [0,1,1,0,0,0|2,0,0]=4 31 B13R1.5900 CC(=O)C(C)N1CCC(C1(C)C)C 269982a_102516457003_100009814033 [0,1,1,0,0,0|2,0,0]=4 32 B13R1.5900 CC(C(=O)N)N1CCC(C1(C)C)C 2230a_102516457003_100000702099 [0,1,1,0,0,0|2,0,0]=4 33 B13R1.5900 CC(C(=O)N)N1CCC(C1(C)C)C 269982a_102516457003_100000184083 [0,1,1,0,0,0|2,0,0]=4 34 B13R1.5900 CC(C(=O)N)N1CCC(C1(C)C)C 34a_102516457003_100000702099 [0,1,1,0,0,0|2,0,0]=4 35 B13R1.5900 CC1CCN(C1(C)C)C(F)C(=O)N 2230a_102516457003_100009813875 [0,1,1,0,0,0|1,1,0]=4 36 B13R1.5900 CC1CCN(C1(C)C)C(F)C(=O)N 269982a_102516457003_100009813875 [0,1,1,0,0,0|1,1,0]=4 37 B13R1.5900 CC1CCN(C1(C)C)C(F)C(=O)N 34a_102516457003_100009813875 [0,1,1,0,0,0|1,1,0]=4 38 B13R1.5900 CC1CCN(C1(C)C)C(F)C(=O)[O-] 34a_102516457003_100020610796 [0,1,1,0,0,0|1,1,0]=4 39 B13R2.6173 CC1(C2CCC1(C(C2)N[13CH3])C)C 2230a_100000716156_200025704644 [1,1,0,0,0,0|1,0,1]=4 40 B13R2.6173 CC1(C2CCC1(C(C2)N[13CH3])C)C 34a_100000716156_200025704644 [1,1,0,0,0,0|1,0,1]=4 41 B13R2.6173 CC1([C@H]2CC[C@@]1([C@@H](C2)O[13CH3])C)C 34a_100000686805_200025704644 [1,1,0,0,0,0|0,0,2]=4 42 B13R2.6173 CC1([C@H]2CC[C@@]1([C@@H](C2)O[13CH3])C)C 7a_100000686805_200025704644 [1,1,0,0,0,0|0,0,2]=4 43 B13R2.6173 CNC1CC2CCC1(C2(C)C)C 2230a_100000716156_200000210301 [1,1,0,0,0,0|1,0,1]=4 44 B13R2.6173 CNC1CC2CCC1(C2(C)C)C 34a_100000716156_200000210301 [1,1,0,0,0,0|1,0,1]=4 45 B13R2.6173 CO[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C 34a_100000686805_200000210301 [1,1,0,0,0,0|0,0,2]=4 46 B13R2.6173 CO[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C 7a_100000686805_200000210301 [1,1,0,0,0,0|0,0,2]=4 47 B15R2.53332 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)SCF 62a_100015361967_100015940049 [0,2,0,0,0,0|0,1,0]=3 48 B15R2.53332 CC12CC[C@@H](C1(C)C)[C@@H](C2=O)SCF 62a_100015940049_100015361967 [0,2,0,0,0,0|0,1,0]=3 49 B15R2.53332 CCN[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 2230a_100015525214_100015940049 [0,2,0,0,0,0|1,0,0]=3 50 B15R2.53332 CCO[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 34a_100121572206_100015940049 [0,2,0,0,0,0|1,0,0]=3 51 B15R2.53332 CCS[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 62a_100000210202_100015940049 [0,2,0,0,0,0|1,0,0]=3 52 B15R2.53332 CCS[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 62a_100015940049_100000210202 [0,2,0,0,0,0|1,0,0]=3 53 B15R2.143041 CC(=O)[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 1458a_100000070787_100015940049 [0,2,0,0,0,0|1,0,0]=3 54 B15R2.143041 CN(C)[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 2230a_100102631434_100015940049 [0,2,0,0,0,0|1,0,0]=3 55 B15R2.143041 CN(C)[C@@H]1C(=O)C2(CC[C@H]1C2(C)C)C 269982a_100102631434_100015940049 [0,2,0,0,0,0|1,0,0]=3 56 B11R0.63 CCC(C)C(=O)C(C)CC(C)C 1458a_100011192722_100000731052 [0,0,2,0,0,0|1,0,0]=3 57 B11R0.63 CCC(C)C(=O)C(C)CN(C)C 1458a_200015186601_100000758301 [0,0,2,0,0,0|2,0,0]=4 58 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 11a_100000747067_100011192722 [0,0,2,0,0,0|2,0,0]=4 59 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 1626a_100000747067_100011192722 [0,0,2,0,0,0|2,0,0]=4 60 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 240690a_100000747067_100011192722 [0,0,2,0,0,0|2,0,0]=4 61 B11R0.63 CCC(C)C(=O)N(C)CC(C)C 527a_100000747067_100011192722 [0,0,2,0,0,0|2,0,0]=4 62 B11R0.63 CCC(C)C(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000758301 [0,0,2,0,0,0|1,0,0]=3 63 B11R0.63 CCC(O)C(=O)C(C)CC(C)C 1458a_100011196387_100000731052 [0,0,2,0,0,0|2,0,0]=4 64 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 1626a_100000225621_100012027011 [0,0,2,0,0,0|2,0,0]=4 65 B11R0.63 CCN(C)C(=O)[C@@H](O)CC(C)C 240690a_100000225621_100012027011 [0,0,2,0,0,0|2,0,0]=4 66 B11R0.63 COC(C)C(=O)C(C)CC(C)C 1458a_100000743197_100000731052 [0,0,2,0,0,0|2,0,0]=4 67 B11R0.63 CSC(C)C(=O)C(C)CC(C)C 1458a_100000149566_100000731052 [0,0,2,0,0,0|2,0,0]=4 68 B11R0.145 CCC(=O)C(C)OCCC(C)C 7a_100000210254_100000742827 [0,0,2,0,0,0|2,0,0]=4 69 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000210312_100000742827 [0,0,2,0,0,0|2,0,0]=4 70 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000742827_100000210312 [0,0,2,0,0,0|2,0,0]=4 71 B11R0.206 CC(C)C(=O)C(C)N(C)C(C)C 269982a_200000211004_100009893295 [0,0,2,0,0,0|2,0,0]=4 72 B11R0.206 CC(C)C(=O)N(C)C(C)C(C)C 11a_100000228512_100000210198 [0,0,2,0,0,0|2,0,0]=4 73 B11R0.206 CC(C)C(=O)N(C)C(C)C(C)C 1626a_100000228512_100000210198 [0,0,2,0,0,0|2,0,0]=4 74 B11R0.206 CC(C)C(=O)N(C)C(C)C(C)C 240690a_100000228512_100000210198 [0,0,2,0,0,0|2,0,0]=4 75 B11R0.206 CC(C)C(=O)N(C)C(C)C(C)C 527a_100000228512_100000210198 [0,0,2,0,0,0|2,0,0]=4 76 B11R0.278 CCC(=O)C(C)N(CC)C(C)C 2230a_100000223864_100000742827 [0,0,2,0,0,0|2,0,0]=4 77 B11R0.278 CCC(=O)C(C)N(CC)C(C)C 269982a_100000223864_100000742827 [0,0,2,0,0,0|2,0,0]=4 78 B11R0.67 CCC(C)C(=O)C(C)(C)N(C)C 1458a_100000688961_100000758301 [0,0,2,0,0,0|2,0,0]=4 79 B11R0.58 CC(CCO)C(=O)C(C)C(C)C 1458a_100000755409_100009893172 [0,0,2,0,0,0|2,0,0]=4 80 B11R0.58 CCCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000766640 [0,0,2,0,0,0|1,0,0]=3 81 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 11a_200000211004_100000210906 [0,0,2,0,0,0|2,0,0]=4 82 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 1626a_200000211004_100000210906 [0,0,2,0,0,0|2,0,0]=4 83 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 240690a_200000211004_100000210906 [0,0,2,0,0,0|2,0,0]=4 84 B11R0.58 CCCC(C)C(=O)N(C)C(C)C 527a_200000211004_100000210906 [0,0,2,0,0,0|2,0,0]=4 85 B11R0.58 CCCC(C)C(=O)[C@H](C)N(C)C 1458a_100009822176_100000766640 [0,0,2,0,0,0|2,0,0]=4 86 B11R0.58 CCCC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000766640 [0,0,2,0,0,0|2,0,0]=4 87 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 11a_100000747261_100000755409 [0,0,2,0,0,0|2,0,0]=4 88 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 1626a_100000747261_100000755409 [0,0,2,0,0,0|2,0,0]=4 89 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 240690a_100000747261_100000755409 [0,0,2,0,0,0|2,0,0]=4 90 B11R0.58 CCCN(C)C(=O)C(C)C(C)C 527a_100000747261_100000755409 [0,0,2,0,0,0|2,0,0]=4 91 B11R0.58 CCC[C@H](O)C(=O)N(C)C(C)C 240690a_200000211004_100009822183 [0,0,2,0,0,0|2,0,0]=4 92 B11R0.58 COCC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000765312 [0,0,2,0,0,0|2,0,0]=4