0 B8R1.18 Cc1cn(c(n1)O)C 271570a_203496583355_100009816808 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 Cc1cn(nc1O)C 271570a_203496583355_100012644376 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.18 Cc1nc(c(s1)C)O 271570a_203496583355_100010270876 [0,0,0,0,0,0|1,1,2]=4 3 B8R1.18 Cc1nc(c(s1)O)C 271570a_203496583355_100009814099 [0,0,0,0,0,0|1,1,2]=4 4 B8R1.18 Cc1nc(cn1C)O 271570a_203496583355_100000684932 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 Cc1nc(sc1C)O 271570a_203496583355_100000765934 [0,0,0,0,0,0|1,1,2]=4 6 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.18 Cc1nn(nc1O)C 271570a_203496583355_200009884731 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 9 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 Cc1nc(no1)O 271570a_203496583355_100012003639 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 Cc1noc(n1)C 270196a_100000212224_100000070787 [1,0,0,0,0,0|1,0,1]=3 16 B7R1.2 Cc1noc(n1)O 270196a_100000212224_100015183105 [1,0,0,0,0,0|2,0,1]=4 17 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,0,0,0,0,0|2,1,0]=4 18 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,0,0,0,0,0|2,1,0]=4 19 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,0,0,0,0,0|2,1,0]=4 20 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,0,0,0,0,0|2,1,0]=4 21 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,0,0,0,0,0|2,1,0]=4 22 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,0,0,0,0,0|2,1,0]=4 23 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.22 CSc1nc([nH]c1C)C 62a_200000210301_200009820778 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.22 CSc1nc([nH]c1C)C 62a_200009820778_200000210301 [0,1,0,0,0,0|1,0,2]=4 45 B9R1.22 CSc1nc(cn1C)C 62a_100009816808_200000210301 [0,1,0,0,0,0|2,0,1]=4 46 B9R1.22 CSc1nc(cn1C)C 62a_200000210301_100009816808 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.22 CSc1nc(sc1C)C 62a_100010270876_200000210301 [0,1,0,0,0,0|0,1,2]=4 48 B9R1.22 CSc1nc(sc1C)C 62a_200000210301_100010270876 [0,1,0,0,0,0|0,1,2]=4 49 B9R1.22 CSc1nn(cc1C)C 62a_100011072604_200000210301 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.22 CSc1nn(cc1C)C 62a_200000210301_100011072604 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.22 CSc1nn(nc1C)C 62a_200000210301_200009884731 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.22 CSc1nn(nc1C)C 62a_200009884731_200000210301 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.22 CSc1sc(nc1C)C 62a_100009814099_200000210301 [0,1,0,0,0,0|0,1,2]=4 54 B9R1.22 CSc1sc(nc1C)C 62a_200000210301_100009814099 [0,1,0,0,0,0|0,1,2]=4 55 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_100009816808_200025704644 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.22 Cc1cn(c(n1)S[13CH3])C 62a_200025704644_100009816808 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_100011072604_200025704644 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.22 Cc1cn(nc1S[13CH3])C 62a_200025704644_100011072604 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200009820778_200025704644 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.22 Cc1nc(c([nH]1)C)S[13CH3] 62a_200025704644_200009820778 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_100010270876_200025704644 [0,1,0,0,0,0|0,1,2]=4 62 B9R1.22 Cc1nc(c(s1)C)S[13CH3] 62a_200025704644_100010270876 [0,1,0,0,0,0|0,1,2]=4 63 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_100009814099_200025704644 [0,1,0,0,0,0|0,1,2]=4 64 B9R1.22 Cc1nc(c(s1)S[13CH3])C 62a_200025704644_100009814099 [0,1,0,0,0,0|0,1,2]=4 65 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200009884731_200025704644 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.22 Cc1nn(nc1S[13CH3])C 62a_200025704644_200009884731 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.23 CNc1nc(c(s1)C)C 27a_100102657272_100000765934 [0,1,0,0,0,0|0,1,2]=4 73 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,0,0,0|2,0,1]=4 75 B9R1.23 CSc1cn(c(n1)C)C 62a_100000684932_200000210301 [0,1,0,0,0,0|2,0,1]=4 76 B9R1.23 CSc1cn(c(n1)C)C 62a_200000210301_100000684932 [0,1,0,0,0,0|2,0,1]=4 77 B9R1.23 CSc1nc(c(s1)C)C 62a_100000765934_200000210301 [0,1,0,0,0,0|0,1,2]=4 78 B9R1.23 CSc1nc(c(s1)C)C 62a_200000210301_100000765934 [0,1,0,0,0,0|0,1,2]=4 79 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_100000684932_200025704644 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.23 Cc1nc(cn1C)S[13CH3] 62a_200025704644_100000684932 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_100000765934_200025704644 [0,1,0,0,0,0|0,1,2]=4 82 B9R1.23 Cc1nc(sc1C)S[13CH3] 62a_200025704644_100000765934 [0,1,0,0,0,0|0,1,2]=4 83 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,0,1,0,0,0|1,0,2]=4 84 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,0,1,0,0,0|1,0,2]=4 85 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,0,1,0,0,0|1,0,2]=4 86 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,0,1,0,0,0|1,0,1]=3 87 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [0,0,1,0,0,0|1,1,1]=4 88 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,1,0,0,0|2,0,1]=4 89 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,1,0,0,0|3,0,0]=4 94 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,1,0,0,0|3,0,0]=4 95 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,0,1,0,0,0|2,0,1]=4 96 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,0,1,0,0,0|2,0,1]=4 97 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,0,1,0,0,0|2,0,1]=4 98 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,0,1,0,0,0|2,0,1]=4 99 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,1,0,0,0|3,0,0]=4 101 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,1,0,0,0|1,0,2]=4 103 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,1,0,0,0|1,0,2]=4 104 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,1,0,0,0|3,0,0]=4 106 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,1,0,0,0|2,0,0]=3 108 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,1,0,0,0|1,0,2]=4 113 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,1,0,0,0|1,0,2]=4 114 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,1,0,0,0|1,0,2]=4 115 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,1,0,0,0|1,0,1]=3 116 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,1,0,0,0|1,0,1]=3 117 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,1,0,0,0|1,1,1]=4 118 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,1,0,0,0|1,1,1]=4 119 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,0,1,0,0,0|2,0,0]=3 126 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,0,1,0,0,0|2,0,0]=3 127 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,0,1,0,0,0|2,0,0]=3 128 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,0,1,0,0,0|2,0,0]=3 129 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,0,1,0,0,0|2,0,0]=3 130 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,0,1,0,0,0|2,0,0]=3 131 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,0,1,0,0,0|2,0,0]=3 132 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,0,1,0,0,0|2,0,0]=3 133 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,0,1,0,0,0|3,0,0]=4 134 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,0,1,0,0,0|3,0,0]=4 135 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,0,1,0,0,0|2,0,0]=3 136 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,0,1,0,0,0|2,0,0]=3 137 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,1,0,0,0|3,0,0]=4 140 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,1,0,0,0|3,0,0]=4 142 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,1,0,0,0|3,0,0]=4 144 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,0,1,0,0,0|2,1,0]=4 146 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,0,1,0,0,0|2,1,0]=4 147 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,1,0,0,0|3,0,0]=4 148 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,1,0,0,0|2,0,1]=4 150 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,1,0,0,0|2,0,1]=4 151 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,0,1,0,0,0|3,0,0]=4 152 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,1,0,0,0|2,0,0]=3 153 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,1,0,0,0|3,0,0]=4 154 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,1,0,0,0|3,0,0]=4 155 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,1,0,0,0|2,0,0]=3 157 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,1,0,0,0|2,1,0]=4 158 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,1,0,0,0|2,1,0]=4 159 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,1,0,0,0|1,0,2]=4 161 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,1,0,0,0|1,0,2]=4 162 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,1,0,0,0|3,0,0]=4 163 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,1,0,0,0|3,0,0]=4 164 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,1,0,0,0|3,0,0]=4 165 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,1,0,0,0|3,0,0]=4 166 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,1,0,0,0|2,0,0]=3 167 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,1,0,0,0|2,0,0]=3 168 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,1,0,0,0|2,0,0]=3 169 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,1,0,0,0|2,0,0]=3 170 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,1,0,0,0|2,0,0]=3 171 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,0,1,0,0,0|3,0,0]=4 172 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,0,1,0,0,0|3,0,0]=4 173 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,0,1,0,0,0|3,0,0]=4 174 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 175 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 176 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,1,0,0,0|3,0,0]=4 178 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,0,1,0,0,0|3,0,0]=4 179 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,0,1,0,0,0|3,0,0]=4 180 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,0,1,0,0,0|3,0,0]=4 181 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,0,1,0,0,0|3,0,0]=4 182 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,0,1,0,0,0|3,0,0]=4 183 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,0,1,0,0,0|3,0,0]=4 184 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,0,1,0,0,0|3,0,0]=4 185 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,1,0,0,0|3,0,0]=4 186 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,1,0,0,0|3,0,0]=4 187 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,1,0,0,0|2,0,1]=4 188 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,1,0,0,0|2,0,1]=4 189 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,1,0,0,0|2,0,1]=4 192 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,1,0,0,0|2,0,1]=4 193 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,0,1,0,0,0|2,0,1]=4 194 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,1,0,0,0|1,0,1]=3 195 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,1,0,0,0|1,0,1]=3 196 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,1,0,0,0|2,0,0]=3 197 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,1,0,0,0|2,0,1]=4 198 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,0,1,0,0,0|1,0,2]=4 199 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,1,0,0,0|3,0,0]=4 200 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,1,0,0,0|2,0,1]=4 201 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,1,0,0,0|1,0,0]=2 203 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,1,0,0,0|1,0,0]=2 204 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,1,0,0,0|1,0,1]=3 205 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,1,0,0,0|1,0,0]=2 206 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,0,1,0,0,0|1,0,1]=3 207 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,1,0,0,0|2,0,1]=4 208 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,1,0,0,0|2,0,0]=3 210 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,1,0,0,0|1,0,1]=3 211 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,1,0,0,0|1,0,1]=3 212 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,1,0,0,0|1,1,0]=3 213 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,1,0,0,0|1,1,0]=3 214 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,1,0,0,0|1,1,0]=3 215 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,1,0,0,0|1,1,1]=4 216 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,1,0,0,0|1,1,1]=4 217 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,1,0,0,0|1,1,0]=3 218 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,0,1,0,0,0|2,0,1]=4 219 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,0,1,0,0,0|2,0,1]=4 220 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,1,0,0,0|1,0,2]=4 221 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,1,0,0,0|1,0,2]=4 222 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,1,0,0,0|3,0,0]=4 224 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,1,0,0,0|3,0,0]=4 225 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,1,0,0,0|3,0,0]=4 226 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,1,0,0,0|3,0,0]=4 227 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,1,0,0,0|3,0,0]=4 228 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,1,0,0,0|3,0,0]=4 229 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,0,1,0,0,0|3,0,0]=4 230 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,0,1,0,0,0|3,0,0]=4 231 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,0,1,0,0,0|2,0,1]=4 232 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,0,1,0,0,0|2,0,1]=4 233 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,0,1,0,0,0|3,0,0]=4 234 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,0,1,0,0,0|3,0,0]=4 235 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,0,1,0,0,0|3,0,0]=4 236 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,0,1,0,0,0|1,0,2]=4 237 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,0,1,0,0,0|1,0,2]=4 238 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,1,0,0,0|1,0,0]=2 239 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,0,1,0,0,0|2,0,0]=3 240 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,1,0,0,0|1,0,1]=3 241 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,1,0,0,0|1,0,1]=3 242 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,0,1,0,0,0|1,0,1]=3 245 B7R0.7 CC#CC(C)OCF 34a_100011216543_100015361967 [0,0,1,0,0,0|2,0,1]=4 246 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,0,1,0,0,0|3,0,0]=4 247 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,0,1,0,0,0|3,0,0]=4 248 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,0,1,0,0,0|3,0,0]=4 249 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,0,1,0,0,0|3,0,0]=4 251 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,0,1,0,0,0|3,0,0]=4 252 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,0,1,0,0,0|3,0,0]=4 253 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,0,1,0,0,0|3,0,0]=4 254 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,0,1,0,0,0|3,0,0]=4 255 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,0,1,0,0,0|3,0,0]=4 256 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,0,1,0,0,0|3,0,0]=4 257 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,0,1,0,0,0|3,0,0]=4 258 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,0,1,0,0,0|3,0,0]=4 259 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,1,0,0,0|1,0,2]=4 260 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,1,0,0,0|1,0,2]=4 261 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,1,0,0,0|1,0,2]=4 262 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,1,0,0,0|1,0,1]=3 263 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,1,0,0,0|1,0,1]=3 264 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,1,0,0,0|1,0,1]=3 265 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,0,1,0,0,0|2,0,1]=4 266 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,0,1,0,0,0|2,0,1]=4 267 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,1,0,0,0|1,1,1]=4 268 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,1,0,0,0|1,1,1]=4 269 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,0,1,0,0,0|3,0,0]=4 270 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,0,1,0,0,0|3,0,0]=4 271 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,0,1,0,0,0|3,0,0]=4 272 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,0,1,0,0,0|3,0,0]=4 273 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,0,1,0,0,0|2,0,1]=4 274 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,0,1,0,0,0|2,0,1]=4 275 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,1,0,0,0|2,0,0]=3 276 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,1,0,0,0|2,0,0]=3 277 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,0,1,0,0,0|2,1,0]=4 278 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,0,1,0,0,0|2,1,0]=4 279 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,0,1,0,0,0|3,0,0]=4 280 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,0,0,1,0,0|3,0,0]=4 281 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,0,0,1,0,0|3,0,0]=4 282 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,0,0,1,0,0|3,0,0]=4 283 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,0,0,1,0,0|3,0,0]=4 284 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,0,0,1,0,0|3,0,0]=4 285 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,0,1,0|3,0,0]=4 287 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,0,1,0|3,0,0]=4 288 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,0,1,0|3,0,0]=4 289 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [0,0,0,0,0,1|3,0,0]=4 291 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [0,0,0,0,0,1|3,0,0]=4 292 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [0,0,0,0,0,1|3,0,0]=4 293 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [0,0,0,0,0,1|3,0,0]=4 294 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [0,0,0,0,0,1|3,0,0]=4 295 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [0,0,0,0,0,1|3,0,0]=4 296 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,0,0,0,0,1|2,0,0]=3 297 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,0,0,0,0,1|2,0,0]=3 298 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,0,0,0,0,1|2,0,0]=3 299 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,0,0,0,0,1|2,0,0]=3 300 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,0,0,0,0,1|2,0,0]=3 301 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,0,0,0,0,1|2,0,0]=3 302 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,0,0,0,0,1|2,0,0]=3 303 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,0,0,0,0,1|2,0,0]=3 304 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,0,0,0,0,1|2,0,0]=3 305 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,0,0,0,0,1|2,0,0]=3 306 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,0,0,0,0,1|2,0,0]=3 307 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,0,0,0,0,1|2,0,0]=3 308 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,0,1,0,0,0|0,0,2]=4 309 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,0,1,0,0,0|0,0,2]=4 310 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,0,1,0,0,0|0,0,2]=4 311 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,1,0,0,0|1,0,0]=3 312 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,1,0,0,0|1,0,0]=3 313 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,1,0,0,0|0,0,1]=3 314 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,0,1,0,0,0|1,0,1]=4 315 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,1,0,0,0|0,1,1]=4 316 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,1,0,0,0|1,0,1]=4 317 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,1,0,0,0|1,0,1]=4 318 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,1,0,0,0|1,0,1]=4 319 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,1,0,0,0|1,0,1]=4 320 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [1,0,1,0,0,0|1,0,1]=4 321 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [1,0,1,0,0,0|1,0,1]=4 322 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,1,0,0,0|2,0,0]=4 323 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,1,0,0,0|2,0,0]=4 324 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,1,0,0,0|2,0,0]=4 325 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,1,0,0,0|2,0,0]=4 326 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,1,0,0,0|2,0,0]=4 327 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,1,0,0,0|2,0,0]=4 328 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,1,0,0,0|2,0,0]=4 329 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,1,0,0,0|2,0,0]=4 330 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,1,0,0,0|2,0,0]=4 331 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,1,0,0,0|2,0,0]=4 332 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,1,0,0,0|2,0,0]=4 333 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,1,0,0,0|2,0,0]=4 334 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,1,0,0,0|2,0,0]=4 335 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,1,0,0,0|1,0,1]=4 336 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,1,0,0,0|2,0,0]=4 337 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,1,0,0,0|2,0,0]=4 338 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,1,0,0,0|2,0,0]=4 339 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,1,0,0,0|1,0,1]=4 340 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,1,0,0,0|1,0,1]=4 343 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 344 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,1,0,0,0|1,0,1]=4 345 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,1,0,0,0|1,0,1]=4 346 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,1,0,0,0|1,0,1]=4 347 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,1,0,0,0|1,0,1]=4 348 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,1,0,0,0|1,0,1]=4 349 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,1,0,0,0|1,0,1]=4 350 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,1,0,0,0|2,0,0]=4 351 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,1,0,0,0|2,0,0]=4 352 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,1,0,0,0|2,0,0]=4 353 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,1,0,0,0|2,0,0]=4 354 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,1,0,0,0|2,0,0]=4 355 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,1,0,0,0|2,0,0]=4 356 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,1,0,0,0|2,0,0]=4 357 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,1,0,0,0|2,0,0]=4 358 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,1,0,0,0|2,0,0]=4 359 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,1,0,0,0|2,0,0]=4 360 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,1,0,0,0|2,0,0]=4 361 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,1,0,0,0|2,0,0]=4 362 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,1,0,0,0|2,0,0]=4 363 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,1,0,0,0|2,0,0]=4 364 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,1,0,0,0|2,0,0]=4 365 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,1,0,0,0|2,0,0]=4 366 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,1,0,0,0|2,0,0]=4 367 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,1,0,0,0|2,0,0]=4 368 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,1,0,0,0|2,0,0]=4 369 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,1,0,0,0|2,0,0]=4 370 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 371 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 372 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|1,0,1]=4 373 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,1,0,0,0|1,0,1]=4 374 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,1,0,0,0|1,0,1]=4 375 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,1,0,0,0|0,0,2]=4 376 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,1,0,0,0|0,0,2]=4 377 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,1,0,0,0|0,0,2]=4 378 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,1,0,0,0|0,0,2]=4 379 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,0,1,0,0,0|0,0,2]=4 380 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,1,0,0,0|0,0,1]=3 381 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,1,0,0,0|0,0,1]=3 382 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,1,0,0,0|1,0,1]=4 383 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,1,0,0,0|1,0,1]=4 384 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,1,0,0,0|0,0,2]=4 385 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,1,0,0,0|1,0,1]=4 386 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,1,0,0,0|0,1,1]=4 387 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,1,0,0,0|0,1,1]=4 388 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|1,0,1]=4 389 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,1,0,0,0|1,0,1]=4 390 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,1,0,0,0|1,0,1]=4 391 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|1,0,1]=4 392 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|1,0,1]=4 393 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,1,0,0,0|2,0,0]=4 394 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,1,0,0,0|2,0,0]=4 395 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,1,0,0,0|2,0,0]=4 396 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,1,0,0,0|2,0,0]=4 397 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,1,0,0,0|2,0,0]=4 398 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,1,0,0,0|2,0,0]=4 399 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,1,0,0,0|2,0,0]=4 400 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,1,0,0,0|2,0,0]=4 402 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,1,0,0,0|2,0,0]=4 403 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,1,0,0,0|2,0,0]=4 404 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,1,0,0,0|2,0,0]=4 405 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,1,0,0,0|2,0,0]=4 406 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,1,0,0,0|2,0,0]=4 407 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,1,0,0,0|2,0,0]=4 408 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,1,0,0,0|2,0,0]=4 409 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,1,0,0,0|2,0,0]=4 410 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,1,0,0,0|2,0,0]=4 411 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,1,0,0,0|2,0,0]=4 412 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [1,0,1,0,0,0|2,0,0]=4 413 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [1,0,1,0,0,0|2,0,0]=4 414 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [1,0,1,0,0,0|1,0,0]=3 415 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [1,0,1,0,0,0|1,1,0]=4 416 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [1,0,1,0,0,0|2,0,0]=4 417 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [1,0,1,0,0,0|2,0,0]=4 418 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [1,0,1,0,0,0|2,0,0]=4 419 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [1,0,1,0,0,0|2,0,0]=4 420 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [1,0,1,0,0,0|2,0,0]=4 421 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [1,0,1,0,0,0|2,0,0]=4 422 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,1,0,0,0|2,0,0]=4 423 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [1,0,1,0,0,0|2,0,0]=4 424 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [1,0,1,0,0,0|2,0,0]=4 425 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,1,0,0,0|1,0,0]=3 427 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,1,0,0,0|1,0,0]=3 428 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [1,0,1,0,0,0|2,0,0]=4 429 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,1,0,0,0|1,1,0]=4 430 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,1,0,0,0|1,1,0]=4 431 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,0,1,0,0,0|1,0,1]=4 432 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,0,1,0,0,0|1,0,1]=4 433 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,1,0,0,0|1,0,1]=4 434 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,1,0,0,0|1,0,1]=4 435 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,1,0,0,0|2,0,0]=4 436 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,1,0,0,0|2,0,0]=4 437 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,1,0,0,0|2,0,0]=4 438 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,1,0,0,0|2,0,0]=4 439 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|2,0,0]=4 440 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|2,0,0]=4 441 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|2,0,0]=4 442 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,1,0,0,0|1,0,1]=4 443 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,1,0,0,0|1,0,1]=4 444 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|0,0,2]=4 445 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|0,0,2]=4 446 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|0,0,2]=4 447 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|0,0,2]=4 448 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|1,0,0]=3 449 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|1,0,0]=3 450 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|1,0,1]=4 451 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|1,0,0]=3 452 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|2,0,0]=4 453 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,1,0,0,0|1,0,1]=4 454 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,1,0,0,0|1,0,1]=4 455 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,1,0,0,0|1,0,1]=4 456 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,1,0,0,0|1,0,1]=4 457 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,1,0,0,0|1,0,1]=4 458 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,1,0,0,0|2,0,0]=4 459 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,1,0,0,0|1,0,1]=4 460 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,1,0,0,0|0,0,2]=4 461 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,1,0,0,0|1,0,1]=4 462 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|1,1,0]=4 463 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|1,1,0]=4 464 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,1,0,0,0|1,0,1]=4 465 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,1,0,0,0|1,0,1]=4 466 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,1,0,0,0|1,0,1]=4 467 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,1,0,0,0|1,0,1]=4 468 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,1,0,0,0|2,0,0]=4 469 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,1,0,0,0|2,0,0]=4 470 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,1,0,0,0|2,0,0]=4 471 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,1,0,0,0|2,0,0]=4 472 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,1,0,0,0|2,0,0]=4 473 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,1,0,0,0|2,0,0]=4 474 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,1,0,0,0|2,0,0]=4 475 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,1,0,0,0|1,0,0]=3 476 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,1,0,0,0|1,1,0]=4 477 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,1,0,0,0|1,1,0]=4 478 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,1,0,0,0|1,0,1]=4 479 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,1,0,0,0|2,0,0]=4 480 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,1,0,0,0|2,0,0]=4 481 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,1,0,0,0|2,0,0]=4 482 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,1,0,0,0|2,0,0]=4 483 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,1,0,0,0|1,0,0]=3 484 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,1,0,0,0|1,0,0]=3 485 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,1,0,0,0|1,0,0]=3 486 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,1,0,0,0|1,0,0]=3 487 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,1,0,0,0|1,0,0]=3 488 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,0,1,0,0,0|2,0,0]=4 489 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,0,1,0,0,0|2,0,0]=4 490 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,0,1,0,0,0|2,0,0]=4 491 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,0,1,0,0,0|2,0,0]=4 492 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,0,1,0,0,0|2,0,0]=4 493 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,0,1,0,0,0|2,0,0]=4 494 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,1,0,0,0|2,0,0]=4 495 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,1,0,0,0|2,0,0]=4 496 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 497 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 498 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,1,0,0,0|2,0,0]=4 499 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,1,0,0,0|2,0,0]=4 500 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,0,1,0,0,0|2,0,0]=4 501 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,0,1,0,0,0|2,0,0]=4 502 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,0,1,0,0,0|2,0,0]=4 503 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,0,1,0,0,0|2,0,0]=4 504 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,0,1,0,0,0|2,0,0]=4 505 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,0,1,0,0,0|2,0,0]=4 506 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,0,1,0,0,0|2,0,0]=4 507 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,1,0,0,0|1,0,1]=4 508 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,1,0,0,0|1,0,1]=4 509 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,1,0,0,0|1,0,1]=4 510 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,1,0,0,0|2,0,0]=4 511 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,1,0,0,0|2,0,0]=4 512 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,1,0,0,0|1,0,0]=3 513 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,1,0,0,0|1,0,0]=3 514 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,1,0,0,0|1,0,1]=4 515 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,1,0,0,0|1,0,0]=3 516 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,1,0,0,0|1,0,1]=4 517 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [1,0,1,0,0,0|2,0,0]=4 518 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,1,0,0,0|2,0,0]=4 519 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,1,0,0,0|1,0,1]=4 520 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,1,0,0,0|1,0,1]=4 521 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,1,0,0,0|1,1,0]=4 522 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,1,0,0,0|1,1,0]=4 523 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,1,0,0,0|1,1,0]=4 524 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,1,0,0,0|1,1,0]=4 525 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,1,0,0,0|2,0,0]=4 526 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,1,0,0,0|1,0,1]=4 527 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,1,0,0,0|1,0,1]=4 528 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,1,0,0,0|2,0,0]=4 529 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,1,0,0,0|2,0,0]=4 530 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,1,0,0,0|1,0,0]=3 531 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,1,0,0,0|1,0,0]=3 532 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [1,0,1,0,0,0|2,0,0]=4 533 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,1,0,0,0|1,1,0]=4 534 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,1,0,0,0|1,1,0]=4 535 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,1,0,0,0|1,0,1]=4 536 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,1,0,0,0|1,0,1]=4 537 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [1,0,1,0,0,0|1,0,1]=4 538 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [1,0,1,0,0,0|1,0,1]=4 539 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,1,0,0,0|2,0,0]=4 540 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,1,0,0,0|1,0,0]=3 541 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,1,0,0,0|1,1,0]=4 542 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,1,0,0,0|1,1,0]=4 543 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,1,0,0,0|2,0,0]=4 544 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,1,0,0,0|1,0,1]=4 545 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,1,0,0,0|1,0,1]=4 546 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,1,0,0,0|1,0,1]=4 547 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,1,0,0,0|2,0,0]=4 548 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,1,0,0,0|2,0,0]=4 549 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,1,0,0,0|2,0,0]=4 550 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,1,0,0,0|2,0,0]=4 551 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,1,0,0,0|2,0,0]=4 552 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,1,0,0,0|2,0,0]=4 553 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,1,0,0,0|2,0,0]=4 554 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,1,0,0,0|2,0,0]=4 555 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,1,0,0,0|2,0,0]=4 556 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,1,0,0,0|2,0,0]=4 557 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,1,0,0,0|2,0,0]=4 558 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,1,0,0,0|2,0,0]=4 559 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,1,0,0,0|2,0,0]=4 560 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,1,0,0,0|2,0,0]=4 561 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,1,0,0,0|2,0,0]=4 562 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,1,0,0,0|2,0,0]=4 563 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,1,0,0,0|2,0,0]=4 564 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,1,0,0,0|2,0,0]=4 565 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,1,0,0,0|2,0,0]=4 566 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,1,0,0,0|2,0,0]=4 567 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,1,0,0,0|2,0,0]=4 568 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,1,0,0,0|1,0,1]=4 569 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,1,0,0,0|1,0,1]=4 570 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,1,0,0,0|1,0,1]=4 571 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,1,0,0,0|1,0,1]=4 572 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,1,1,0,0,0|2,0,0]=4 573 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,1,1,0,0,0|2,0,0]=4 574 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,1,1,0,0,0|2,0,0]=4 575 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,1,1,0,0,0|1,0,0]=3 576 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,1,1,0,0,0|1,0,1]=4 577 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,1,1,0,0,0|1,0,1]=4 578 B8R0.5 CC#CC(C)OC(C)C 34a_100011216543_100000210206 [0,1,1,0,0,0|1,0,1]=4 579 B8R0.5 CC(C)OC(C)CCBr 34a_100012276601_100000210206 [0,1,1,0,0,0|1,0,1]=4 580 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [0,1,1,0,0,0|1,0,1]=4 581 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,1,0,0,0|2,0,0]=4 582 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [0,1,1,0,0,0|2,0,0]=4 583 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [0,1,1,0,0,0|2,0,0]=4 584 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,1,1,0,0,0|2,0,0]=4 585 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,1,1,0,0,0|2,0,0]=4 586 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,1,1,0,0,0|2,0,0]=4 588 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,1,1,0,0,0|2,0,0]=4 589 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,1,1,0,0,0|2,0,0]=4 590 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,1,1,0,0,0|2,0,0]=4 591 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,1,1,0,0,0|2,0,0]=4 592 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,1,0,0,0|2,0,0]=4 593 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,1,0,0,0|2,0,0]=4 594 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [0,1,1,0,0,0|1,0,1]=4 595 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [0,1,1,0,0,0|1,0,1]=4 596 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [0,1,1,0,0,0|1,0,1]=4 597 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,1,1,0,0,0|2,0,0]=4 598 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,1,1,0,0,0|2,0,0]=4 599 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,1,1,0,0,0|2,0,0]=4 600 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,1,1,0,0,0|2,0,0]=4 601 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,1,1,0,0,0|2,0,0]=4 602 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,1,1,0,0,0|2,0,0]=4 603 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,1,0,0,0|2,0,0]=4 604 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,1,0,0,0|2,0,0]=4 605 B8R0.5 COCC(C)OC(C)C 34a_100000212225_100000765312 [0,1,1,0,0,0|1,0,1]=4 606 B8R0.5 COCN(C)CC(C)O 2230a_100000227577_100000766300 [0,1,1,0,0,0|2,0,0]=4 607 B8R0.5 COCN(C)CC(C)O 269982a_100000227577_100000766300 [0,1,1,0,0,0|2,0,0]=4 608 B8R0.5 COC[C@@H](C)OC(C)C 34a_100011934205_100000210206 [0,1,1,0,0,0|1,0,1]=4 609 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,1,0,0,0|2,0,0]=4 610 B8R0.5 CSCN(C)CC(C)O 2230a_100000227577_100011218213 [0,1,1,0,0,0|2,0,0]=4 611 B8R0.5 CSCN(C)CC(C)O 269982a_100000227577_100011218213 [0,1,1,0,0,0|2,0,0]=4 612 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,1,1,0,0,0|2,0,0]=4 613 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,1,0,0,0|2,0,0]=4 614 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,1,1,0,0,0|2,0,0]=4 616 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,1,1,0,0,0|1,0,1]=4 617 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,1,1,0,0,0|1,0,1]=4 618 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,1,1,0,0,0|1,0,1]=4 619 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [0,1,1,0,0,0|2,0,0]=4 620 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [0,1,1,0,0,0|2,0,0]=4 621 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [0,1,1,0,0,0|2,0,0]=4 622 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [0,1,1,0,0,0|2,0,0]=4 623 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [0,1,1,0,0,0|2,0,0]=4 624 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [0,1,1,0,0,0|2,0,0]=4 625 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [0,1,1,0,0,0|2,0,0]=4 626 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [0,1,1,0,0,0|2,0,0]=4 627 B8R0.16 CCN(CF)C[C@H](C)O 269982a_100000729506_100015361967 [0,1,1,0,0,0|2,0,0]=4 628 B8R0.19 C#CC(C)OC(C)C=C 34a_100000695699_200000035995 [0,1,1,0,0,0|1,0,1]=4 629 B8R0.19 C#C[C@@H](C)OC(C)CC 34a_100009815206_100011215416 [0,1,1,0,0,0|1,0,1]=4 630 B8R0.19 C#C[C@@H](C)OC(C)CC 7a_100009815206_100000758301 [0,1,1,0,0,0|1,0,1]=4 631 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,1,1,0,0,0|1,0,1]=4 632 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,1,1,0,0,0|1,0,1]=4 633 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,1,0,0,0|2,0,0]=4 634 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,1,0,0,0|2,0,0]=4 635 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,1,0,0,0|2,0,0]=4 636 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,1,0,0,0|1,0,1]=4 637 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,1,0,0,0|1,0,1]=4 638 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,1,1,0,0,0|0,0,2]=4 639 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,1,1,0,0,0|0,0,2]=4 640 B8R0.19 CCC(C)OC(C)C#N 34a_100011218135_100011215416 [0,1,1,0,0,0|0,0,2]=4 641 B8R0.19 CCC(C)OC(C)C#N 7a_100000210228_100000703298 [0,1,1,0,0,0|0,0,2]=4 642 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,1,1,0,0,0|1,0,1]=4 643 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,1,1,0,0,0|1,0,1]=4 644 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,1,1,0,0,0|1,0,1]=4 645 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,1,1,0,0,0|0,0,2]=4 646 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,1,0,0,0|1,0,1]=4 647 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,1,0,0,0|1,0,1]=4 648 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,1,0,0,0|1,0,1]=4 649 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,1,0,0,0|1,0,1]=4 650 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,1,0,0,0|1,0,1]=4 651 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,1,0,0,0|1,0,1]=4 652 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,1,1,0,0,0|2,0,0]=4 653 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,1,1,0,0,0|2,0,0]=4 654 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,1,1,0,0,0|2,0,0]=4 655 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,1,1,0,0,0|2,0,0]=4 656 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,1,1,0,0,0|2,0,0]=4 657 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,1,1,0,0,0|2,0,0]=4 658 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,1,1,0,0,0|2,0,0]=4 659 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,1,1,0,0,0|2,0,0]=4 660 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,1,1,0,0,0|2,0,0]=4 661 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,1,0,0,0|2,0,0]=4 662 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,1,0,0,0|2,0,0]=4 663 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [0,1,1,0,0,0|2,0,0]=4 664 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,1,1,0,0,0|2,0,0]=4 665 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,1,0,0,0|2,0,0]=4 666 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,1,0,0,0|2,0,0]=4 667 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,1,0,0,0|1,0,0]=3 668 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,1,0,0,0|1,1,0]=4 669 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,1,0,0,0|1,1,0]=4 670 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,1,0,0,0|1,0,1]=4 671 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,1,0,0,0|1,0,1]=4 672 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,1,0,0,0|1,0,1]=4 673 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,1,0,0,0|2,0,0]=4 674 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,1,1,0,0,0|2,0,0]=4 675 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,1,0,0,0|2,0,0]=4 676 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,1,0,0,0|1,0,1]=4 677 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,1,0,0,0|2,0,0]=4 678 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,1,0,0,0|2,0,0]=4 679 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,1,0,0,0|2,0,0]=4 680 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,1,0,0,0|2,0,0]=4 681 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,1,0,0,0|2,0,0]=4 682 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,1,0,0,0|2,0,0]=4 683 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,1,0,0,0|2,0,0]=4 684 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,1,1,0,0,0|2,0,0]=4 685 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,1,1,0,0,0|2,0,0]=4 686 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,1,1,0,0,0|2,0,0]=4 687 B8R0.24 C=CC(C)OC(C)(C)C 34a_100000695699_100000210625 [0,1,1,0,0,0|1,0,1]=4 688 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,1,1,0,0,0|2,0,0]=4 689 B8R0.24 CCC(C)OC(C)(C)C 34a_100015890283_100011215416 [0,1,1,0,0,0|1,0,1]=4 690 B8R0.24 CCC(C)OC(C)(C)C 7a_100015890283_100000758301 [0,1,1,0,0,0|1,0,1]=4 691 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [0,1,1,0,0,0|2,0,0]=4 692 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [0,1,1,0,0,0|2,0,0]=4 693 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [0,1,1,0,0,0|2,0,0]=4 694 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [0,1,1,0,0,0|2,0,0]=4 695 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [0,1,1,0,0,0|2,0,0]=4 696 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [0,1,1,0,0,0|2,0,0]=4 697 B8R0.34 C=CC(C)(C)OC(C)C 34a_100011215311_100000210206 [0,1,1,0,0,0|1,0,1]=4 698 B8R0.34 C=CC(C)(C)OC(C)C 7a_100011215311_100000210206 [0,1,1,0,0,0|1,0,1]=4 699 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [0,1,1,0,0,0|1,0,1]=4 700 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,1,1,0,0,0|2,0,0]=4 701 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,1,1,0,0,0|1,0,1]=4 702 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,1,1,0,0,0|1,0,1]=4 703 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,1,0,0,0|2,0,0]=4 704 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,1,0,0,0|2,0,0]=4 705 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,1,0,0,0|2,0,0]=4 706 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,1,0,0,0|2,0,0]=4 707 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,1,0,0,0|2,0,0]=4 708 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,1,0,0,0|2,0,0]=4 709 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|2,0,0]=4 710 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,1,0,0,0|2,0,0]=4 711 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 712 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 713 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,1,0,0,0|2,0,0]=4 714 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,1,0,0,0|1,0,1]=4 715 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,1,0,0,0|1,0,1]=4 716 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,1,0,0,0|1,0,1]=4 717 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,1,0,0,0|1,0,1]=4 718 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,1,1,0,0,0|2,0,0]=4 719 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,1,1,0,0,0|2,0,0]=4 720 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,1,1,0,0,0|2,0,0]=4 721 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,1,1,0,0,0|2,0,0]=4 722 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,1,1,0,0,0|2,0,0]=4 723 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,1,1,0,0,0|2,0,0]=4 724 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,1,1,0,0,0|2,0,0]=4 725 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,1,1,0,0,0|2,0,0]=4 726 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,1,1,0,0,0|2,0,0]=4 727 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,1,0,0,0|1,0,1]=4 728 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,1,0,0,0|1,0,1]=4 729 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,1,0,0,0|1,0,1]=4 730 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,1,0,0,0|1,0,1]=4 731 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,1,0,0,0|1,0,1]=4 732 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,1,0,0,0|1,0,1]=4 733 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,1,0,0,0|2,0,0]=4 735 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,1,0,0,0|2,0,0]=4 736 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 737 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 738 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,1,0,0,0|2,0,0]=4 739 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,1,0,0,0|2,0,0]=4 740 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,1,0,0,0|2,0,0]=4 741 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,1,0,0,0|1,0,0]=3 742 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,1,0,0,0|1,0,0]=3 743 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,1,0,0,0|1,0,0]=3 744 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 745 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 746 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,1,0,0,0|1,0,0]=3 747 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 748 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,1,0,0,0|1,0,1]=4 749 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,1,0,0,0|1,0,0]=3 750 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,1,0,0,0|1,0,0]=3 751 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,1,0,0,0|1,0,1]=4 752 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,1,0,0,0|2,0,0]=4 753 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,1,0,0,0|1,1,0]=4 754 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,1,0,0,0|1,1,0]=4 755 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,1,0,0,0|1,1,0]=4 756 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,1,0,0,0|1,1,0]=4 757 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,1,0,0,0|1,1,0]=4 758 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,1,0,0,0|1,1,0]=4 759 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,1,0,0,0|1,1,0]=4 760 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,1,0,0,0|1,1,0]=4 761 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,1,0,0,0|1,1,0]=4 762 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,1,0,0,0|1,1,0]=4 763 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|1,1,0]=4 764 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|1,1,0]=4 765 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,1,1,0,0,0|2,0,0]=4 766 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,1,1,0,0,0|1,0,1]=4 767 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,1,1,0,0,0|1,0,1]=4 768 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,1,1,0,0,0|2,0,0]=4 769 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,1,1,0,0,0|2,0,0]=4 770 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,1,1,0,0,0|2,0,0]=4 771 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,1,1,0,0,0|1,0,1]=4 772 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,1,0,0,0|2,0,0]=4 773 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,1,0,0,0|2,0,0]=4 774 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,1,0,0,0|2,0,0]=4 775 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,1,1,0,0,0|1,0,1]=4 776 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,1,0,0,0|1,0,0]=3 777 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,1,0,0,0|1,0,0]=3 778 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,1,0,0,0|1,1,0]=4 779 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,1,0,0,0|1,1,0]=4 780 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,1,0,0,0|1,1,0]=4 781 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,1,0,0,0|1,1,0]=4 782 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,1,1,0,0,0|1,0,1]=4 783 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,1,1,0,0,0|1,0,1]=4 784 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,1,1,0,0,0|1,0,1]=4 785 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,1,1,0,0,0|1,0,1]=4 786 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,1,0,0,0|2,0,0]=4 787 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,1,0,0,0|2,0,0]=4 788 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,1,0,0,0|2,0,0]=4 789 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,1,0,0,0|2,0,0]=4 790 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,1,0,0,0|2,0,0]=4 791 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,1,0,0,0|1,0,1]=4 792 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,1,0,0,0|1,0,1]=4 793 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,1,0,0,0|1,0,1]=4 794 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,1,0,0,0|1,0,0]=3 795 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,1,0,0,0|1,0,1]=4 796 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,1,1,0,0,0|1,0,1]=4 797 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,1,0,0,0|2,0,0]=4 798 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,1,0,0,0|1,0,1]=4 799 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,1,0,0,0|1,0,1]=4 800 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,1,0,0,0|1,1,0]=4 801 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,1,0,0,0|1,1,0]=4 802 B8R0.8 CCNN=C(C)C(C)C 4a_100000756455_100000211110 [0,1,1,0,0,0|1,0,0]=3 803 B8R0.8 CCNN=C(C)C(C)O 4a_100000756455_100000212229 [0,1,1,0,0,0|0,0,0]=2 804 B8R0.8 CCNN=C(C)C(F)F 4a_100000756455_100000764096 [0,1,1,0,0,0|2,0,0]=4 805 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,1,0,0,0|1,0,1]=4 806 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,1,0,0,0|1,0,1]=4 807 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,1,0,0,0|1,0,0]=3 808 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,1,0,0,0|1,0,0]=3 809 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,1,0,0,0|2,0,0]=4 810 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,1,0,0,0|2,0,0]=4 811 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,1,1,0,0,0|1,1,0]=4 812 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,1,1,0,0,0|1,1,0]=4 813 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,1,0,0,0|2,0,0]=4 814 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,1,0,0,0|2,0,0]=4 815 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,1,0,0,0|1,0,0]=3 816 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,1,1,0,0,0|1,0,1]=4 817 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,1,0,0,0|1,1,0]=4 818 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,1,0,0,0|1,1,0]=4 819 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,1,0,0,0|2,0,0]=4 820 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,1,0,0,0|2,0,0]=4 821 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,1,0,0,0|1,0,1]=4 822 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,1,0,0,0|1,0,1]=4 823 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,1,1,0,0,0|1,0,1]=4 824 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,1,1,0,0,0|1,0,1]=4 825 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,1,1,0,0,0|1,0,1]=4 826 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,1,1,0,0,0|1,0,1]=4 827 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,1,0,0,0|2,0,0]=4 828 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,1,0,0,0|2,0,0]=4 829 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,1,0,0,0|1,0,1]=4 830 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,1,0,0,0|1,0,1]=4 831 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,1,0,0,0|1,0,1]=4 832 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,1,1,0,0,0|2,0,0]=4 833 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,1,1,0,0,0|2,0,0]=4 834 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,1,1,0,0,0|2,0,0]=4 835 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,1,1,0,0,0|2,0,0]=4 836 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,1,0,0,0|2,0,0]=4 837 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,1,0,0,0|2,0,0]=4 838 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,1,0,0,0|1,0,0]=3 839 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,1,0,0,0|1,0,0]=3 840 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,1,0,0,0|1,0,0]=3 841 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,1,0,0,0|1,0,1]=4 842 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,1,0,0,0|1,0,1]=4 843 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,1,0,0,0|1,0,1]=4 844 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,1,0,0,0|1,0,0]=3 845 B8R0.12 CCOC(C)(C)C(C)C 7a_100011215261_100000210202 [0,1,1,0,0,0|1,0,1]=4 846 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,1,0,0,0|1,1,0]=4 847 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,1,0,0,0|1,1,0]=4 848 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,1,1,0,0,0|2,0,0]=4 849 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,1,1,0,0,0|1,0,1]=4 850 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,1,1,0,0,0|0,0,2]=4 851 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,1,1,0,0,0|0,0,2]=4 852 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,1,0,0,0|2,0,0]=4 853 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,1,0,0,0|2,0,0]=4 854 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,1,0,0,0|2,0,0]=4 855 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,1,1,0,0,0|0,0,2]=4 856 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,1,1,0,0,0|0,0,2]=4 857 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,1,1,0,0,0|0,0,2]=4 858 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,1,1,0,0,0|0,0,2]=4 859 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,1,1,0,0,0|1,0,1]=4 860 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,1,1,0,0,0|1,0,1]=4 861 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,1,1,0,0,0|1,0,1]=4 862 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,1,1,0,0,0|1,0,1]=4 863 B8R0.1 C#CCOC(C)/C=C/C 34a_200102604097_100000184674 [0,1,1,0,0,0|1,0,1]=4 864 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,1,1,0,0,0|1,0,1]=4 865 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,1,1,0,0,0|1,0,0]=3 866 B8R0.1 C/C=C/C(C)OCCF 34a_200102604097_100011217306 [0,1,1,0,0,0|1,0,0]=3 867 B8R0.1 C/C=C/C(C)OCCO 34a_200102604097_100000211926 [0,1,1,0,0,0|1,0,0]=3 868 B8R0.1 C/C=C/C(C)OCSC 34a_200102604097_100011218213 [0,1,1,0,0,0|1,0,0]=3 869 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,1,1,0,0,0|1,0,1]=4 870 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,1,1,0,0,0|1,0,1]=4 871 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,1,0,0,0|1,0,1]=4 872 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,1,0,0,0|1,0,1]=4 873 B8R0.1 C=CCOC(C)/C=C/C 34a_200102604097_100015514636 [0,1,1,0,0,0|1,0,1]=4 874 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,1,1,0,0,0|1,0,1]=4 875 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,1,1,0,0,0|1,0,1]=4 876 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,1,1,0,0,0|1,0,1]=4 877 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,1,1,0,0,0|1,0,1]=4 878 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,1,0,0,0|1,0,1]=4 879 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,1,0,0,0|1,0,1]=4 880 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,1,1,0,0,0|1,0,1]=4 881 B8R0.1 CC#CC(C)OCCC 34a_100011216543_100000210303 [0,1,1,0,0,0|1,0,1]=4 882 B8R0.1 CC#CC(C)OCCF 34a_100011216543_100011217306 [0,1,1,0,0,0|1,0,1]=4 883 B8R0.1 CC#CC(C)OCCO 34a_100011216543_100000211926 [0,1,1,0,0,0|1,0,1]=4 884 B8R0.1 CC#CC(C)OCSC 34a_100011216543_100011218213 [0,1,1,0,0,0|1,0,1]=4 885 B8R0.1 CCC#CC(C)OCC 34a_100000033903_100000210202 [0,1,1,0,0,0|1,0,1]=4 886 B8R0.1 CCC#CC(C)OCC 7a_100000033903_100000210202 [0,1,1,0,0,0|1,0,1]=4 887 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,1,0,0,0|1,0,1]=4 888 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,1,0,0,0|1,0,1]=4 889 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,1,0,0,0|1,0,1]=4 890 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,1,0,0,0|1,0,1]=4 891 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,1,0,0,0|1,0,1]=4 892 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,1,0,0,0|1,0,1]=4 893 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,1,0,0,0|1,0,1]=4 894 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,1,0,0,0|1,0,1]=4 895 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,1,0,0,0|1,0,1]=4 896 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,1,0,0,0|1,0,1]=4 897 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,1,0,0,0|1,0,1]=4 898 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,1,0,0,0|1,0,1]=4 899 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,1,0,0,0|1,0,1]=4 900 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,1,0,0,0|1,0,1]=4 901 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,1,0,0,0|1,0,1]=4 902 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,1,0,0,0|1,0,1]=4 903 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 904 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 905 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 906 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 907 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,1,0,0,0|2,0,0]=4 908 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,1,0,0,0|2,0,0]=4 909 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,1,0,0,0|1,0,1]=4 910 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,1,0,0,0|1,0,1]=4 911 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,1,1,0,0,0|1,0,1]=4 912 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,1,1,0,0,0|1,0,1]=4 913 B8R0.1 COCC(C)OCCBr 34a_100000211926_100000765312 [0,1,1,0,0,0|2,0,0]=4 914 B8R0.1 COCC(C)OCCN 34a_100000210304_100000765312 [0,1,1,0,0,0|2,0,0]=4 915 B8R0.1 COCO[C@H](C)COC 34a_100016172286_200000210301 [0,1,1,0,0,0|2,0,0]=4 916 B8R0.1 COCO[C@H](C)COC 7a_100016172286_200000210301 [0,1,1,0,0,0|2,0,0]=4 917 B8R0.1 COCO[C@H](C)CO[13CH3] 34a_100016172286_200025704644 [0,1,1,0,0,0|2,0,0]=4 918 B8R0.1 COCO[C@H](C)CO[13CH3] 7a_100016172286_200025704644 [0,1,1,0,0,0|2,0,0]=4 919 B8R0.1 COC[C@@H](C)OCCF 34a_100011934205_100011217306 [0,1,1,0,0,0|2,0,0]=4 920 B8R0.1 COC[C@@H](C)OCCO 34a_100011934205_100000211926 [0,1,1,0,0,0|2,0,0]=4 921 B8R0.1 COC[C@@H](C)OCSC 34a_100011934205_100011218213 [0,1,1,0,0,0|2,0,0]=4 922 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,1,1,0,0,0|2,0,0]=4 923 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,1,1,0,0,0|2,0,0]=4 924 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,1,1,0,0,0|2,0,0]=4 925 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,1,1,0,0,0|2,0,0]=4 926 B8R0.22 CC#CC(CC)OCC 34a_200011219922_100000210202 [0,1,1,0,0,0|1,0,1]=4 927 B8R0.22 CC#CC(CC)OCC 7a_200011219922_100000210202 [0,1,1,0,0,0|1,0,1]=4 928 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,1,0,0,0|1,0,1]=4 929 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,1,0,0,0|1,0,1]=4 930 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,1,1,0,0,0|2,0,0]=4 931 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,1,1,0,0,0|2,0,0]=4 932 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,1,1,0,0,0|2,0,0]=4 933 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,1,1,0,0,0|2,0,0]=4 934 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,1,1,0,0,0|2,0,0]=4 935 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [0,1,1,0,0,0|2,0,0]=4 936 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [0,1,1,0,0,0|2,0,0]=4 937 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,1,1,0,0,0|1,0,1]=4 938 B8R0.30 CCCC(C)(C)OCC 7a_100000748436_100000210202 [0,1,1,0,0,0|1,0,1]=4 939 B8R1.1 CCc1nc(no1)C 270196a_100000212224_100000210414 [1,1,0,0,0,0|1,0,1]=4 940 B8R1.1 CCc1noc(n1)C 270196a_200000212204_100000070787 [1,1,0,0,0,0|1,0,1]=4 941 B8R1.1 CNc1noc(n1)C 27a_100102657272_100012003639 [1,1,0,0,0,0|1,0,1]=4 942 B8R1.1 CSc1noc(n1)C 62a_100012003639_200000210301 [1,1,0,0,0,0|1,0,1]=4 943 B8R1.1 CSc1noc(n1)C 62a_200000210301_100012003639 [1,1,0,0,0,0|1,0,1]=4 944 B8R1.1 Cc1nc(no1)CF 270196a_200000032654_100000070787 [1,1,0,0,0,0|1,0,1]=4 945 B8R1.1 Cc1nc(no1)S[13CH3] 62a_100012003639_200025704644 [1,1,0,0,0,0|1,0,1]=4 946 B8R1.1 Cc1nc(no1)S[13CH3] 62a_200025704644_100012003639 [1,1,0,0,0,0|1,0,1]=4 947 B8R1.1 Cc1noc(n1)CO 270196a_100000212224_100000210174 [1,1,0,0,0,0|1,0,1]=4 948 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [1,1,0,0,0,0|1,0,1]=4 949 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 34a_200000691454_200025704644 [0,1,0,0,0,1|1,0,1]=4 950 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 7a_200000691454_200025704644 [0,1,0,0,0,1|1,0,1]=4 951 B10R1.8 CC1CN(CC(O1)C)CF 269982a_100000210032_100015361967 [0,1,0,0,0,1|2,0,0]=4 952 B10R1.8 CC1CN(CC(O1)C)CF 34a_100000210032_100015361967 [0,1,0,0,0,1|2,0,0]=4 953 B10R1.8 CCN1CC(OC(C1)C)C 2230a_100000210032_100000210202 [0,1,0,0,0,1|2,0,0]=4 954 B10R1.8 CCN1CC(OC(C1)C)C 269982a_100000210032_100000204670 [0,1,0,0,0,1|2,0,0]=4 955 B10R1.8 CCN1CC(OC(C1)C)C 34a_100000210032_100000210202 [0,1,0,0,0,1|2,0,0]=4 956 B10R1.8 CNC1CC(OC(C1)C)C 270004a_106832991635_200102525066 [0,1,0,0,0,1|1,0,1]=4 957 B10R1.8 COC1CC(OC(C1)C)C 34a_200000691454_200000210301 [0,1,0,0,0,1|1,0,1]=4 958 B10R1.8 COC1CC(OC(C1)C)C 7a_200000691454_200000210301 [0,1,0,0,0,1|1,0,1]=4 959 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210202 [0,1,0,0,0,1|2,0,0]=4 960 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000204670 [0,1,0,0,0,1|2,0,0]=4 961 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210202 [0,1,0,0,0,1|2,0,0]=4 962 B10R1.30 C[C@@H]1CN([C@@H](CO1)C)CF 269982a_100016991869_100015361967 [0,1,0,0,0,1|2,0,0]=4 963 B10R1.30 C[C@@H]1CN([C@@H](CO1)C)CF 34a_100016991869_100015361967 [0,1,0,0,0,1|2,0,0]=4 964 B10R1.130 CNCc1oc(nc1C)C 207a_100102657272_100000734261 [0,2,0,0,0,0|0,0,2]=4 965 B10R1.130 COCc1nc(oc1C)C 34a_100000068805_200000210301 [0,2,0,0,0,0|0,0,2]=4 966 B10R1.130 COCc1nc(oc1C)C 7a_100000068805_200000210301 [0,2,0,0,0,0|0,0,2]=4 967 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 34a_100000068805_200025704644 [0,2,0,0,0,0|0,0,2]=4 968 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 7a_100000068805_200025704644 [0,2,0,0,0,0|0,0,2]=4 969 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,1,1,0,0|2,0,0]=4 970 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,1,1,0,0|2,0,0]=4 971 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,1,1,0,0|2,0,0]=4 972 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,1,1,0,0|2,0,0]=4 973 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,1,1,0,0|2,0,0]=4 974 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,1,1,0,0|2,0,0]=4 975 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,0,1,1,0,0|2,0,0]=4 976 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,0,1,1,0,0|2,0,0]=4 977 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,0,1,1,0,0|2,0,0]=4 978 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,0,1,1,0,0|2,0,0]=4 979 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [0,0,1,1,0,0|1,0,1]=4 980 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [0,0,1,1,0,0|1,0,1]=4 981 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,0,1,1,0,0|2,0,0]=4 982 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,0,1,1,0,0|2,0,0]=4 983 B8R1.40 C=CC(C)OC1CC1 34a_100000695699_100000211595 [0,0,1,1,0,0|1,0,1]=4 984 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,1,1,0,0|2,0,0]=4 985 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,1,1,0,0|2,0,0]=4 986 B8R1.40 CCN(C)CC1CO1 2230a_100000225621_100011216344 [0,0,1,1,0,0|2,0,0]=4 987 B8R1.40 CCN(C)CC1CO1 269982a_100000225621_102125554688 [0,0,1,1,0,0|2,0,0]=4 988 B8R1.40 CCN(C)C[C@@H]1CO1 269982a_100000225621_100000745022 [0,0,1,1,0,0|2,0,0]=4 989 B8R1.42 CC(C)OC1(CC1)C 7a_100011725673_100000210206 [0,0,1,1,0,0|1,0,1]=4 990 B8R1.53 CCN1CC(C1)(C)O 2230a_100000718560_100000210202 [0,0,1,1,0,0|2,0,0]=4 991 B8R1.53 CCN1CC(C1)(C)O 269982a_100000718560_100000204670 [0,0,1,1,0,0|2,0,0]=4 992 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,1,1,0,0|2,0,0]=4 993 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,1,1,0,0|2,0,0]=4 994 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,1,1,0,0|1,1,0]=4 995 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,1,1,0,0|1,0,0]=3 996 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,1,1,0,0|2,0,0]=4 997 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,1,1,0,0|1,1,0]=4 998 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,1,1,0,0|1,0,0]=3 999 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,1,1,0,0|1,0,0]=3 1000 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,1,1,0,0|1,1,0]=4 1001 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,1,1,0,0|1,1,0]=4 1002 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,1,1,0,0|2,0,0]=4 1003 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,1,1,0,0|2,0,0]=4 1004 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,1,1,0,0|2,0,0]=4 1005 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,1,1,0,0|1,0,1]=4 1006 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,1,1,0,0|1,0,1]=4 1007 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,1,1,0,0|1,0,1]=4 1008 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,0,1,1,0,0|0,0,2]=4 1009 B8R1.37 CCOC(C)C1CC1 34a_100000744524_100000210202 [0,0,1,1,0,0|1,0,1]=4 1010 B8R1.37 CCOC(C)C1CC1 7a_100000744524_100000210202 [0,0,1,1,0,0|1,0,1]=4 1011 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,1,1,0,0|2,0,0]=4 1012 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,1,1,0,0|2,0,0]=4 1013 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,0,1,1,0,0|2,0,0]=4 1014 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,0,1,1,0,0|2,0,0]=4 1015 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,0,1,1,0,0|2,0,0]=4 1016 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,0,1,1,0,0|2,0,0]=4 1017 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,1,1,0,0|1,0,1]=4 1018 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,1,1,0,0|1,0,1]=4 1019 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,1,1,0,0|1,0,1]=4 1020 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,0,1,1,0,0|1,0,1]=4 1021 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,0,1,1,0,0|2,0,0]=4 1022 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,0,1,1,0,0|2,0,0]=4 1023 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,0,1,1,0,0|2,0,0]=4 1024 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,0,1,1,0,0|2,0,0]=4 1025 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,0,1,1,0,0|2,0,0]=4 1026 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,0,1,1,0,0|2,0,0]=4 1027 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,0,1,1,0,0|2,0,0]=4 1028 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,0,1,1,0,0|2,0,0]=4 1029 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,0,1,1,0,0|2,0,0]=4 1030 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,0,1,1,0,0|2,0,0]=4 1031 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,0,1,1,0,0|2,0,0]=4 1032 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,0,1,1,0,0|2,0,0]=4 1033 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,0,1,1,0,0|2,0,0]=4 1034 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,0,1,1,0,0|2,0,0]=4 1035 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,0,1,1,0,0|2,0,0]=4 1036 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,0,1,1,0,0|2,0,0]=4 1037 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,0,1,1,0,0|2,0,0]=4 1038 B8R1.66 CCOC1(CCC1)C 34a_100000759064_100000210202 [0,0,1,1,0,0|1,0,1]=4 1039 B8R1.66 CCOC1(CCC1)C 7a_100000759064_100000210202 [0,0,1,1,0,0|1,0,1]=4 1040 B8R1.66 CCOC1(CSC1)C 7a_100016018533_100000210202 [0,0,1,1,0,0|2,0,0]=4 1041 B10R2.71 CN1CC2CCC(C1)O2 2230a_100015188616_200000210301 [0,0,0,1,0,1|2,0,0]=4 1042 B10R2.71 CN1CC2CCC(C1)O2 269982a_100015188616_200000210301 [0,0,0,1,0,1|2,0,0]=4 1043 B10R2.71 CN1CC2CCC(C1)O2 34a_100015188616_200000210301 [0,0,0,1,0,1|2,0,0]=4 1044 B10R2.71 [13CH3]N1CC2CCC(C1)O2 2230a_100015188616_200025704644 [0,0,0,1,0,1|2,0,0]=4 1045 B10R2.71 [13CH3]N1CC2CCC(C1)O2 269982a_100015188616_200025704644 [0,0,0,1,0,1|2,0,0]=4 1046 B10R2.71 [13CH3]N1CC2CCC(C1)O2 34a_100015188616_200025704644 [0,0,0,1,0,1|2,0,0]=4 1047 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 1048 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,0,1,0|2,0,0]=4 1049 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 1050 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,0,1,0|2,0,0]=4 1051 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [1,0,0,0,1,0|2,0,0]=4 1052 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [1,0,0,0,1,0|2,0,0]=4 1053 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [1,0,0,0,1,0|2,0,0]=4 1054 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [1,0,0,0,1,0|2,0,0]=4 1055 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [1,0,0,0,1,0|2,0,0]=4 1056 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [1,0,0,0,1,0|2,0,0]=4 1057 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,0,1,0,0,1|1,0,1]=4 1058 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,0,1,0,0,1|1,0,1]=4 1059 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,0,1,0,0,1|1,0,1]=4 1060 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,0,1,0,0,1|1,0,1]=4 1061 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,0,1,0,0,1|1,0,1]=4 1062 B8R0.9 CC(=NNC(C)C)CF 4a_100000741168_100000039719 [0,0,1,0,0,1|2,0,0]=4 1063 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,0,1,0,0,1|2,0,0]=4 1064 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,1,0,0,1|2,0,0]=4 1065 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,1,0,0,1|1,0,1]=4 1066 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,1,0,0,1|1,0,1]=4 1067 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,1,0,0,1|1,0,1]=4 1068 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,0,1,0,0,1|1,0,1]=4 1069 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,0,1,0,0,1|0,0,2]=4 1070 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,0,1,0,0,1|0,0,2]=4 1071 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,0,1,0,0,1|0,0,2]=4 1072 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,0,1,0,0,1|0,0,2]=4 1073 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,0,1,0,0,1|1,0,1]=4 1074 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,0,1,0,0,1|1,0,1]=4 1075 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,0,1,0,0,1|1,0,1]=4 1076 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,0,1,0,0,1|1,0,1]=4 1077 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,1,0,0,1|1,0,1]=4 1078 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,0,1,0,0,1|1,0,1]=4 1079 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,0,1,0,0,1|0,0,2]=4 1080 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,1,0,0,1|1,0,1]=4 1081 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,0,1,0,0,1|1,0,1]=4 1082 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,0,1,0,0,1|1,0,1]=4 1083 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,0,1,0,0,1|1,0,1]=4 1084 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,0,1,0,0,1|1,0,1]=4 1085 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,0,1,0,0,1|2,0,0]=4 1086 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,0,1,0,0,1|2,0,0]=4 1087 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,0,1,0,0,1|1,0,1]=4 1088 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,0,1,0,0,1|1,0,1]=4 1089 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,0,1,0,0,1|2,0,0]=4