0 B11R0.164 C#CC(CCCC)OCC(=O)N 34a_200011217967_100000187820 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.164 C#CC(CCCC)OCC(=O)N 7a_200011217967_100000187820 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.164 C#CC(CCCC)OCC(=O)[O-] 34a_200011217967_100020667443 [0,0,0,0,0,0|1,0,3]=4 3 B11R0.164 C#CCCN(CC)CCC(=O)N 2230a_100020645749_100000688953 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.164 C=C(C)CCN(CC)CCCC 2230a_100000207695_100000730704 [0,0,0,0,0,0|3,0,0]=3 5 B11R0.164 C=C(C)CCN(CC)CCCC 269982a_100000207695_100000730704 [0,0,0,0,0,0|3,0,0]=3 6 B11R0.164 C=C(C)CCN(CC)CCOC 2230a_100000731262_100000730704 [0,0,0,0,0,0|4,0,0]=4 7 B11R0.164 C=C(C)CCN(CC)CCOC 269982a_100000731262_100000730704 [0,0,0,0,0,0|4,0,0]=4 8 B11R0.164 C=C(C)CN[C@H](CO)CCCC 2230a_100011934283_100000748629 [0,0,0,0,0,0|4,0,0]=4 9 B11R0.164 C=C(C)CN[C@H](CO)CCCC 34a_100011934283_100000748629 [0,0,0,0,0,0|4,0,0]=4 10 B11R0.164 C=C(C)COC(CC)CCCC 34a_100000210245_200011216223 [0,0,0,0,0,0|3,0,0]=3 11 B11R0.164 C=C(C)COC(CC)CCCC 34a_100011215227_100000748629 [0,0,0,0,0,0|3,0,0]=3 12 B11R0.164 C=C(C)COC(CC)CCCC 7a_100011215227_100000748629 [0,0,0,0,0,0|3,0,0]=3 13 B11R0.164 C=C(C)CSC(CC)CCCC 62a_100000748629_200011216223 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.164 C=C(C)CSC(CC)CCCC 62a_200011216223_100000211660 [0,0,0,0,0,0|3,0,0]=3 15 B11R0.164 C=C(F)CN[C@H](CO)CCCC 2230a_100011934283_100009893438 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.164 C=C(F)CN[C@H](CO)CCCC 34a_100011934283_100009893438 [0,0,0,0,0,0|4,0,0]=4 17 B11R0.164 C=C(F)COC(CC)CCCC 34a_100011215227_100009893438 [0,0,0,0,0,0|3,0,0]=3 18 B11R0.164 C=C(F)COC(CC)CCCC 34a_200010262243_200011216223 [0,0,0,0,0,0|3,0,0]=3 19 B11R0.164 C=C(F)COC(CC)CCCC 7a_100011215227_100000042424 [0,0,0,0,0,0|3,0,0]=3 20 B11R0.164 C=C(F)CSC(CC)CCCC 62a_100000042424_200011216223 [0,0,0,0,0,0|3,0,0]=3 21 B11R0.164 C=C(F)CSC(CC)CCCC 62a_200011216223_100000042424 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.164 C=CC(CCCC)OCC(=O)N 34a_200011215037_100000187820 [0,0,0,0,0,0|2,0,2]=4 23 B11R0.164 C=CC(CCCC)OCC(=O)N 7a_200011215037_100000187820 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.164 C=CC(CCCC)OCC(=O)[O-] 34a_200011215037_100020667443 [0,0,0,0,0,0|1,0,3]=4 25 B11R0.164 C=CCCN(CC)CCC(=O)N 2230a_100020645749_100000754431 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.164 CC#CCN(CC)CCC(=O)N 2230a_100020645749_100000748600 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.164 CC=CCN(CC)CCC(=O)N 2230a_100020645749_100000070051 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.164 CCCCC(=NNC(=O)C)CC 4a_100000189765_100000753412 [0,0,0,0,0,0|3,0,1]=4 29 B11R0.164 CCCCC(CC)CCC(=O)C 1458a_100011216959_200000210301 [0,0,0,0,0,0|1,0,0]=1 30 B11R0.164 CCCCC(CC)CCC(=O)[13CH3] 1458a_100011216959_200025704644 [0,0,0,0,0,0|1,0,0]=1 31 B11R0.164 CCCCC(CC)CNC(=O)C 11a_100000209976_100015343762 [0,0,0,0,0,0|2,0,0]=2 32 B11R0.164 CCCCC(CC)CNC(=O)C 1626a_100000209976_100015343762 [0,0,0,0,0,0|2,0,0]=2 33 B11R0.164 CCCCC(CC)CNC(=O)C 240690a_100000209976_100015343762 [0,0,0,0,0,0|2,0,0]=2 34 B11R0.164 CCCCC(CC)CNC(=O)C 527a_100000209976_100103153847 [0,0,0,0,0,0|2,0,0]=2 35 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100000209976_100000210206 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.164 CCCCC(CC)CNC(C)C 2230a_100138425928_100000211942 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.164 CCCCC(CC)CNC(C)C 34a_100138425928_100000211942 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.164 CCCCC(CC)COC(C)C 34a_100000210273_100000210206 [0,0,0,0,0,0|3,0,1]=4 39 B11R0.164 CCCCC(CC)COC(C)C 34a_100000212225_100000211942 [0,0,0,0,0,0|3,0,1]=4 40 B11R0.164 CCCCC(CC)COC(C)C 7a_100000210273_100000210206 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000210206_100000211942 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.164 CCCCC(CC)CSC(C)C 62a_100000211942_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.164 CCCCC(CC)NCC(=O)O 269956a_100016091260_200011216223 [0,0,0,0,0,0|1,0,0]=1 44 B11R0.164 CCCCC(CC)NCC(C)C 270004a_100000210953_100000753412 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.164 CCCCC(CC)NCC(C)C 34a_100000210953_200011216223 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.164 CCCCC(CC)NCC(C)O 270004a_100000210904_100000753412 [0,0,0,0,0,0|2,0,1]=3 47 B11R0.164 CCCCC(CC)NCC(C)O 34a_100000210904_200011216223 [0,0,0,0,0,0|2,0,1]=3 48 B11R0.164 CCCCC(CC)NCC(F)F 270004a_100000765723_100000753412 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.164 CCCCC(CC)NCC(F)F 34a_100000765723_200011216223 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.164 CCCCC(CC)OCC(=O)C 34a_100000211253_200011216223 [0,0,0,0,0,0|2,0,0]=2 51 B11R0.164 CCCCC(CC)OCC(=O)N 34a_100011215227_100000187820 [0,0,0,0,0,0|2,0,0]=2 52 B11R0.164 CCCCC(CC)OCC(=O)N 7a_100011215227_100000187820 [0,0,0,0,0,0|2,0,0]=2 53 B11R0.164 CCCCC(CC)OCC(=O)[O-] 34a_100011215227_100020667443 [0,0,0,0,0,0|1,0,1]=2 54 B11R0.164 CCCCC(CC)OCC(C)Br 34a_100012180447_200011216223 [0,0,0,0,0,0|3,0,1]=4 55 B11R0.164 CCCCC(CC)OCC(C)C 34a_100000210257_200011216223 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.164 CCCCC(CC)OCC(C)C 34a_100011215227_100000210624 [0,0,0,0,0,0|3,0,1]=4 57 B11R0.164 CCCCC(CC)OCC(C)C 7a_100011215227_100000210760 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.164 CCCCC(CC)OCC(C)F 34a_100015925927_200011216223 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.164 CCCCC(CC)OCC(C)O 34a_100011215227_100011218427 [0,0,0,0,0,0|2,0,1]=3 60 B11R0.164 CCCCC(CC)OCC(C)O 7a_100011215227_100011218427 [0,0,0,0,0,0|2,0,1]=3 61 B11R0.164 CCCCC(CC)OCC(F)F 34a_100000743014_200011216223 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.164 CCCCC(CC)OCC(F)F 34a_100011215227_100011934356 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.164 CCCCC(CC)OCC(F)F 7a_100011215227_100011934356 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.164 CCCCC(CC)OC[C@@H](C)Cl 34a_100016084084_200011216223 [0,0,0,0,0,0|3,0,1]=4 65 B11R0.164 CCCCC(CC)OC[C@@H](C)N 34a_100000737577_200011216223 [0,0,0,0,0,0|3,0,1]=4 66 B11R0.164 CCCCC(CC)OC[C@@H](C)O 34a_100011215227_100009817552 [0,0,0,0,0,0|2,0,1]=3 67 B11R0.164 CCCCC(CC)OC[C@@H](C)O 7a_100011215227_100009817552 [0,0,0,0,0,0|2,0,1]=3 68 B11R0.164 CCCCC(CC)OC[N+](=O)[O-] 34a_100011215227_100000761209 [0,0,0,0,0,0|2,0,1]=3 69 B11R0.164 CCCCC(CC)SCC(=O)N 62a_100000747473_200011216223 [0,0,0,0,0,0|2,0,0]=2 70 B11R0.164 CCCCC(CC)SCC(=O)N 62a_200011216223_100000747473 [0,0,0,0,0,0|2,0,0]=2 71 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_100020667443_200011216223 [0,0,0,0,0,0|1,0,1]=2 72 B11R0.164 CCCCC(CC)SCC(=O)[O-] 62a_200011216223_100020667443 [0,0,0,0,0,0|1,0,1]=2 73 B11R0.164 CCCCC(CC)SCC(C)C 62a_100000210624_200011216223 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.164 CCCCC(CC)SCC(C)C 62a_200011216223_100000210760 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.164 CCCCC(CC)SCC(C)O 62a_100011218427_200011216223 [0,0,0,0,0,0|2,0,1]=3 76 B11R0.164 CCCCC(CC)SCC(C)O 62a_200011216223_100011218427 [0,0,0,0,0,0|2,0,1]=3 77 B11R0.164 CCCCC(CC)SCC(F)F 62a_100011934356_200011216223 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.164 CCCCC(CC)SCC(F)F 62a_200011216223_100011934356 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_100009817552_200011216223 [0,0,0,0,0,0|2,0,1]=3 80 B11R0.164 CCCCC(CC)SC[C@@H](C)O 62a_200011216223_100009817552 [0,0,0,0,0,0|2,0,1]=3 81 B11R0.164 CCCCC(CC)SC[N+](=O)[O-] 62a_200011216223_100000761209 [0,0,0,0,0,0|2,0,1]=3 82 B11R0.164 CCCCN(CC)CC=C(C)C 2230a_100000207695_100000761012 [0,0,0,0,0,0|3,0,1]=4 83 B11R0.164 CCCCN(CC)CC=C(C)C 269982a_100000207695_100000761012 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.164 CCCCN(CC)CCC(=O)C 269982a_100000207695_100000053229 [0,0,0,0,0,0|2,0,0]=2 85 B11R0.164 CCCCN(CC)CCC(=O)N 2230a_100000207695_100000744528 [0,0,0,0,0,0|2,0,0]=2 86 B11R0.164 CCCCN(CC)CCC(=O)N 2230a_100020645749_100000210211 [0,0,0,0,0,0|2,0,0]=2 87 B11R0.164 CCCCN(CC)CCC(=O)N 269982a_100000207695_100000744528 [0,0,0,0,0,0|2,0,0]=2 88 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207693_100000210211 [0,0,0,0,0,0|3,0,1]=4 89 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207695_100000210312 [0,0,0,0,0,0|3,0,1]=4 90 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207693_100000210211 [0,0,0,0,0,0|3,0,1]=4 91 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207695_100000210312 [0,0,0,0,0,0|3,0,1]=4 92 B11R0.164 CCCCN(CC)CCC(C)O 2230a_100000207695_100012276601 [0,0,0,0,0,0|2,0,1]=3 93 B11R0.164 CCCCN(CC)CCC(C)O 269982a_100000207695_100012276601 [0,0,0,0,0,0|2,0,1]=3 94 B11R0.164 CCCCN(CC)CCN(C)C 269982a_100000207695_100000755713 [0,0,0,0,0,0|4,0,0]=4 95 B11R0.164 CCCCN(CC)CCN(C)C 269982a_100000225870_100000210211 [0,0,0,0,0,0|4,0,0]=4 96 B11R0.164 CCCCN(CC)COC(=O)C 269982a_100000207695_100000076356 [0,0,0,0,0,0|3,0,0]=3 97 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 2230a_100011934283_100000747473 [0,0,0,0,0,0|3,0,0]=3 98 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 34a_100011934283_100000187820 [0,0,0,0,0,0|3,0,0]=3 99 B11R0.164 CCCC[C@@H](CO)NCC(=O)[O-] 34a_100011934283_100020667443 [0,0,0,0,0,0|2,0,1]=3 100 B11R0.164 CCCC[C@@H](CO)NCC(C)O 2230a_100011934283_100011218427 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.164 CCCC[C@@H](CO)NCC(C)O 34a_100011934283_100011218427 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 2230a_100011934283_100009817552 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O 34a_100011934283_100009817552 [0,0,0,0,0,0|3,0,1]=4 104 B11R0.164 CCCC[C@@H](CO)NC[N+](=O)[O-] 34a_100011934283_100000761209 [0,0,0,0,0,0|3,0,1]=4 105 B11R0.164 CCCOC(CC)CCC(C)C 34a_100011216567_100000210303 [0,0,0,0,0,0|3,0,1]=4 106 B11R0.164 CCCOC(CC)CCC(C)C 7a_100011216567_100000210303 [0,0,0,0,0,0|3,0,1]=4 107 B11R0.164 CCCOC(CCl)COC(=O)C 7a_200000139349_100000210303 [0,0,0,0,0,0|4,0,0]=4 108 B11R0.164 CCN(CCC#N)CCC(=O)N 2230a_100000226048_100000744528 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.164 CCN(CCC#N)CCC(=O)N 2230a_100020645749_100011215226 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.164 CCN(CCCF)CCC(=O)N 2230a_100020645749_100011934791 [0,0,0,0,0,0|3,0,0]=3 111 B11R0.164 CCN(CCCO)CCC(=O)N 2230a_100020645749_100000230001 [0,0,0,0,0,0|3,0,0]=3 112 B11R0.164 CCN(CCOC)CCC(=O)C 269982a_100000731262_100000053229 [0,0,0,0,0,0|3,0,0]=3 113 B11R0.164 CCN(CCOC)CCC(=O)N 2230a_100000731262_100000744528 [0,0,0,0,0,0|3,0,0]=3 114 B11R0.164 CCN(CCOC)CCC(=O)N 2230a_100020645749_100011201679 [0,0,0,0,0,0|3,0,0]=3 115 B11R0.164 CCN(CCOC)CCC(=O)N 269982a_100000731262_100000744528 [0,0,0,0,0,0|3,0,0]=3 116 B11R0.164 CCN(CCOC)CCC(C)O 2230a_100000731262_100012276601 [0,0,0,0,0,0|3,0,1]=4 117 B11R0.164 CCN(CCOC)CCC(C)O 269982a_100000731262_100012276601 [0,0,0,0,0,0|3,0,1]=4 118 B11R0.164 CCN(CCOC)COC(=O)C 269982a_100000731262_100000076356 [0,0,0,0,0,0|4,0,0]=4 119 B11R0.164 CCN(CCSC)CCC(=O)N 2230a_100020645749_100000751147 [0,0,0,0,0,0|3,0,0]=3 120 B11R0.164 CCOCC(CN)OCC(=O)N 34a_102515437182_100000187820 [0,0,0,0,0,0|4,0,0]=4 121 B11R0.164 CCOCC(CN)OCC(=O)[O-] 34a_102515437182_100020667443 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.164 CSCC[C@@H](CO)NCC(=O)N 2230a_100011827619_100000747473 [0,0,0,0,0,0|4,0,0]=4 123 B10R0.16 C#CC(CCCC)OCC=O 34a_200011217967_200009817547 [1,0,0,0,0,0|1,0,2]=4 124 B10R0.16 C#CC(CCCC)OCC=O 7a_200011217967_200015260668 [1,0,0,0,0,0|1,0,2]=4 125 B10R0.16 C#CCCN(CC)CCCC 2230a_100000207695_100000688953 [1,0,0,0,0,0|2,0,1]=4 126 B10R0.16 C#CCCN(CC)CCCC 269982a_100000207695_100000730999 [1,0,0,0,0,0|2,0,1]=4 127 B10R0.16 C#CCNC(CC)CCCC 34a_100000212058_200011216223 [1,0,0,0,0,0|2,0,1]=4 128 B10R0.16 C#CCOC(CC)CCCC 34a_100000210247_200011216223 [1,0,0,0,0,0|2,0,1]=4 129 B10R0.16 C#CCOC(CC)CCCC 34a_100011215227_100000184674 [1,0,0,0,0,0|2,0,1]=4 130 B10R0.16 C#CCOC(CC)CCCC 7a_100011215227_100000038162 [1,0,0,0,0,0|2,0,1]=4 131 B10R0.16 C#CCSC(CC)CCCC 62a_100000038162_200011216223 [1,0,0,0,0,0|2,0,1]=4 132 B10R0.16 C/C=C/CN(CC)CCCC 269982a_100000207695_100102629194 [1,0,0,0,0,0|2,0,1]=4 133 B10R0.16 C=CC(CCCC)OCC=O 34a_200011215037_200009817547 [1,0,0,0,0,0|1,0,2]=4 134 B10R0.16 C=CC(CCCC)OCC=O 7a_200011215037_200015260668 [1,0,0,0,0,0|1,0,2]=4 135 B10R0.16 C=CCCN(CC)CCCC 2230a_100000207695_100000754431 [1,0,0,0,0,0|2,0,0]=3 136 B10R0.16 C=CCCN(CC)CCCC 269982a_100000207695_100000754431 [1,0,0,0,0,0|2,0,0]=3 137 B10R0.16 C=CCCN(CC)CCOC 2230a_100000731262_100000754431 [1,0,0,0,0,0|3,0,0]=4 138 B10R0.16 C=CCCN(CC)CCOC 2230a_100011698344_100000210202 [1,0,0,0,0,0|3,0,0]=4 139 B10R0.16 C=CCCN(CC)CCOC 269982a_100000731262_100000754431 [1,0,0,0,0,0|3,0,0]=4 140 B10R0.16 C=CCCN(CC)CCOC 269982a_100011698344_100000204670 [1,0,0,0,0,0|3,0,0]=4 141 B10R0.16 C=CCNC(CC)CCCC 270004a_100020586998_100000753412 [1,0,0,0,0,0|2,0,0]=3 142 B10R0.16 C=CCN[C@H](CO)CCCC 2230a_100011934283_100000210623 [1,0,0,0,0,0|3,0,0]=4 143 B10R0.16 C=CCN[C@H](CO)CCCC 34a_100011934283_100015514636 [1,0,0,0,0,0|3,0,0]=4 144 B10R0.16 C=CCOC(CC)CCCC 34a_100011215227_100015514636 [1,0,0,0,0,0|2,0,0]=3 145 B10R0.16 C=CCOC(CC)CCCC 34a_200000210373_200011216223 [1,0,0,0,0,0|2,0,0]=3 146 B10R0.16 C=CCOC(CC)CCCC 7a_100011215227_100015514636 [1,0,0,0,0,0|2,0,0]=3 147 B10R0.16 C=CCSC(CC)CCCC 62a_100000210623_200011216223 [1,0,0,0,0,0|2,0,0]=3 148 B10R0.16 C=CCSC(CC)CCCC 62a_200011216223_100000210623 [1,0,0,0,0,0|2,0,0]=3 149 B10R0.16 CC=CCN(CC)CCCC 2230a_100000207695_100000070051 [1,0,0,0,0,0|2,0,1]=4 150 B10R0.16 CCCCC(CC)CNCC 2230a_100000209976_100000210202 [1,0,0,0,0,0|2,0,1]=4 151 B10R0.16 CCCCC(CC)CNCC 2230a_100015525214_100000211942 [1,0,0,0,0,0|2,0,1]=4 152 B10R0.16 CCCCC(CC)CNCC 269862a_100015525214_100011219736 [1,0,0,0,0,0|2,0,1]=4 153 B10R0.16 CCCCC(CC)CNCC 270004a_100015525214_100011219736 [1,0,0,0,0,0|2,0,1]=4 154 B10R0.16 CCCCC(CC)COCC 34a_100000210273_100000210202 [1,0,0,0,0,0|2,0,1]=4 155 B10R0.16 CCCCC(CC)COCC 34a_100121572206_100000211942 [1,0,0,0,0,0|2,0,1]=4 156 B10R0.16 CCCCC(CC)COCC 7a_100000210273_100000210202 [1,0,0,0,0,0|2,0,1]=4 157 B10R0.16 CCCCC(CC)COCF 34a_100000210273_100015361967 [1,0,0,0,0,0|2,0,1]=4 158 B10R0.16 CCCCC(CC)COCF 7a_100000210273_100015361967 [1,0,0,0,0,0|2,0,1]=4 159 B10R0.16 CCCCC(CC)CSCC 62a_100000210202_100000211942 [1,0,0,0,0,0|2,0,1]=4 160 B10R0.16 CCCCC(CC)CSCC 62a_100000211942_100000210202 [1,0,0,0,0,0|2,0,1]=4 161 B10R0.16 CCCCC(CC)CSCF 62a_100000211942_100015361967 [1,0,0,0,0,0|2,0,1]=4 162 B10R0.16 CCCCC(CC)CSCF 62a_100015361967_100000211942 [1,0,0,0,0,0|2,0,1]=4 163 B10R0.16 CCCCC(CC)NCCC 270004a_100020643023_100000753412 [1,0,0,0,0,0|2,0,1]=4 164 B10R0.16 CCCCC(CC)NCCF 34a_100000724931_200011216223 [1,0,0,0,0,0|2,0,1]=4 165 B10R0.16 CCCCC(CC)NCCO 270004a_100000210304_100000753412 [1,0,0,0,0,0|1,0,1]=3 166 B10R0.16 CCCCC(CC)NCCO 34a_100016990907_200011216223 [1,0,0,0,0,0|1,0,1]=3 167 B10R0.16 CCCCC(CC)OCC#N 7a_100011215227_100011215382 [1,0,0,0,0,0|2,0,1]=4 168 B10R0.16 CCCCC(CC)OCC=O 34a_100011215227_200009817547 [1,0,0,0,0,0|1,0,0]=2 169 B10R0.16 CCCCC(CC)OCC=O 7a_100011215227_200015260668 [1,0,0,0,0,0|1,0,0]=2 170 B10R0.16 CCCCC(CC)OCCBr 34a_100000211926_200011216223 [1,0,0,0,0,0|2,0,1]=4 171 B10R0.16 CCCCC(CC)OCCC 34a_100000210258_200011216223 [1,0,0,0,0,0|2,0,1]=4 172 B10R0.16 CCCCC(CC)OCCC 34a_100011215227_100000210303 [1,0,0,0,0,0|2,0,1]=4 173 B10R0.16 CCCCC(CC)OCCC 7a_100011215227_100000210303 [1,0,0,0,0,0|2,0,1]=4 174 B10R0.16 CCCCC(CC)OCCF 34a_100011215227_100011217306 [1,0,0,0,0,0|2,0,1]=4 175 B10R0.16 CCCCC(CC)OCCF 7a_100011215227_100011217306 [1,0,0,0,0,0|2,0,1]=4 176 B10R0.16 CCCCC(CC)OCCN 34a_100000210304_200011216223 [1,0,0,0,0,0|2,0,1]=4 177 B10R0.16 CCCCC(CC)OCCO 34a_100011215227_100000211926 [1,0,0,0,0,0|1,0,1]=3 178 B10R0.16 CCCCC(CC)OCCO 7a_100011215227_100000211926 [1,0,0,0,0,0|1,0,1]=3 179 B10R0.16 CCCCC(CC)OCSC 34a_100011215227_100011218213 [1,0,0,0,0,0|3,0,0]=4 180 B10R0.16 CCCCC(CC)SCC#N 62a_100011215382_200011216223 [1,0,0,0,0,0|2,0,1]=4 181 B10R0.16 CCCCC(CC)SCC#N 62a_200011216223_100011215382 [1,0,0,0,0,0|2,0,1]=4 182 B10R0.16 CCCCC(CC)SCC=O 62a_200011216223_200015260668 [1,0,0,0,0,0|1,0,0]=2 183 B10R0.16 CCCCC(CC)SCC=O 62a_200015260668_200011216223 [1,0,0,0,0,0|1,0,0]=2 184 B10R0.16 CCCCC(CC)SCCC 62a_100000210303_200011216223 [1,0,0,0,0,0|2,0,1]=4 185 B10R0.16 CCCCC(CC)SCCC 62a_200011216223_100000210303 [1,0,0,0,0,0|2,0,1]=4 186 B10R0.16 CCCCC(CC)SCCF 62a_100011217306_200011216223 [1,0,0,0,0,0|2,0,1]=4 187 B10R0.16 CCCCC(CC)SCCF 62a_200011216223_100011217306 [1,0,0,0,0,0|2,0,1]=4 188 B10R0.16 CCCCC(CC)SCCO 62a_100000211926_200011216223 [1,0,0,0,0,0|1,0,1]=3 189 B10R0.16 CCCCC(CC)SCCO 62a_200011216223_100000211926 [1,0,0,0,0,0|1,0,1]=3 190 B10R0.16 CCCCC(CC)SCOC 62a_100000766300_200011216223 [1,0,0,0,0,0|3,0,0]=4 191 B10R0.16 CCCCC(CC)SCOC 62a_200011216223_100000766300 [1,0,0,0,0,0|3,0,0]=4 192 B10R0.16 CCCCC(CC)SCSC 62a_100011218213_200011216223 [1,0,0,0,0,0|3,0,0]=4 193 B10R0.16 CCCCC(CC)SCSC 62a_200011216223_100011218213 [1,0,0,0,0,0|3,0,0]=4 194 B10R0.16 CCCCC(CCCC)NC 2230a_200011995792_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B10R0.16 CCCCC(CCCC)NC 270004a_106832991635_100011218081 [1,0,0,0,0,0|2,0,1]=4 196 B10R0.16 CCCCC(CCCC)NC 34a_200011995792_200000210301 [1,0,0,0,0,0|2,0,1]=4 197 B10R0.16 CCCCC(CCCC)N[13CH3] 2230a_200011995792_200025704644 [1,0,0,0,0,0|2,0,1]=4 198 B10R0.16 CCCCC(CCCC)N[13CH3] 34a_200011995792_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B10R0.16 CCCCC(CCCC)OC 34a_200011215786_200000210301 [1,0,0,0,0,0|2,0,1]=4 200 B10R0.16 CCCCC(CCCC)OC 7a_200011215786_200000210301 [1,0,0,0,0,0|2,0,1]=4 201 B10R0.16 CCCCC(CCCC)O[13CH3] 34a_200011215786_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B10R0.16 CCCCC(CCCC)O[13CH3] 7a_200011215786_200025704644 [1,0,0,0,0,0|2,0,1]=4 203 B10R0.16 CCCCN(CC)CCC#N 2230a_100000207695_100011215226 [1,0,0,0,0,0|2,0,1]=4 204 B10R0.16 CCCCN(CC)CCC#N 2230a_100000226048_100000210211 [1,0,0,0,0,0|2,0,1]=4 205 B10R0.16 CCCCN(CC)CCC#N 2230a_200000177648_100000210202 [1,0,0,0,0,0|2,0,1]=4 206 B10R0.16 CCCCN(CC)CCC#N 269982a_100000207695_100011215226 [1,0,0,0,0,0|2,0,1]=4 207 B10R0.16 CCCCN(CC)CCCC 2230a_100000207695_100000210211 [1,0,0,0,0,0|2,0,1]=4 208 B10R0.16 CCCCN(CC)CCCC 2230a_100000684618_100000210202 [1,0,0,0,0,0|2,0,1]=4 209 B10R0.16 CCCCN(CC)CCCC 269982a_100000207695_100000210211 [1,0,0,0,0,0|2,0,1]=4 210 B10R0.16 CCCCN(CC)CCCC 269982a_100000684618_100000204670 [1,0,0,0,0,0|2,0,1]=4 211 B10R0.16 CCCCN(CC)CCCF 2230a_100000207695_100011934791 [1,0,0,0,0,0|2,0,1]=4 212 B10R0.16 CCCCN(CC)CCCF 269982a_100000207695_100011934791 [1,0,0,0,0,0|2,0,1]=4 213 B10R0.16 CCCCN(CC)CCCO 2230a_100000207695_100000230001 [1,0,0,0,0,0|1,0,1]=3 214 B10R0.16 CCCCN(CC)CCCO 269982a_100000207695_100011215043 [1,0,0,0,0,0|1,0,1]=3 215 B10R0.16 CCCCN(CC)CCNC 2230a_200011208488_200000210301 [1,0,0,0,0,0|3,0,0]=4 216 B10R0.16 CCCCN(CC)CCN[13CH3] 2230a_200011208488_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B10R0.16 CCCCN(CC)CCOC 2230a_100000207391_100000210202 [1,0,0,0,0,0|3,0,0]=4 218 B10R0.16 CCCCN(CC)CCOC 2230a_100000207695_100011201679 [1,0,0,0,0,0|3,0,0]=4 219 B10R0.16 CCCCN(CC)CCOC 2230a_100000731262_100000210211 [1,0,0,0,0,0|3,0,0]=4 220 B10R0.16 CCCCN(CC)CCOC 269982a_100000207391_100000204670 [1,0,0,0,0,0|3,0,0]=4 221 B10R0.16 CCCCN(CC)CCOC 269982a_100000207695_100000233755 [1,0,0,0,0,0|3,0,0]=4 222 B10R0.16 CCCCN(CC)CCOC 269982a_100000731262_100000210211 [1,0,0,0,0,0|3,0,0]=4 223 B10R0.16 CCCCN(CC)CCSC 2230a_100000207695_100000751147 [1,0,0,0,0,0|3,0,0]=4 224 B10R0.16 CCCCN(CC)CCSC 269982a_100000207695_100000212216 [1,0,0,0,0,0|3,0,0]=4 225 B10R0.16 CCCC[C@@H](CO)NCC=O 2230a_100011934283_200015260668 [1,0,0,0,0,0|2,0,0]=3 226 B10R0.16 CCCC[C@@H](CO)NCC=O 34a_100011934283_200009817547 [1,0,0,0,0,0|2,0,0]=3 227 B10R0.16 CCCC[C@@H](CO)NCCO 2230a_100011934283_100000211926 [1,0,0,0,0,0|2,0,1]=4 228 B10R0.16 CCCC[C@@H](CO)NCCO 34a_100011934283_100000211926 [1,0,0,0,0,0|2,0,1]=4 229 B10R0.16 CCN(CCCO)CCCO 2230a_100000212923_100000210202 [1,0,0,0,0,0|2,0,1]=4 230 B10R0.16 CCN(CCCO)CCCO 269982a_100000212923_100000204670 [1,0,0,0,0,0|2,0,1]=4 231 B10R0.16 CCN(CCCO)CCCO 34a_100000212923_100000210202 [1,0,0,0,0,0|2,0,1]=4 232 B10R0.16 CCN(CCCO)CCOC 2230a_100000731262_100000230001 [1,0,0,0,0,0|2,0,1]=4 233 B10R0.16 CCN(CCCO)CCOC 269982a_100000731262_100011215043 [1,0,0,0,0,0|2,0,1]=4 234 B10R0.16 CCOCC(CN)OCC=O 34a_102515437182_200009817547 [1,0,0,0,0,0|3,0,0]=4 235 B10R0.16 CSCC[C@@H](CO)NCC=O 2230a_100011827619_200015260668 [1,0,0,0,0,0|3,0,0]=4 236 B10R0.27 C=C(C)CCN(CC)CCC 2230a_100000226822_100000730704 [1,0,0,0,0,0|3,0,0]=4 237 B10R0.27 C=C(C)CCN(CC)CCC 269982a_100000226822_100000730704 [1,0,0,0,0,0|3,0,0]=4 238 B10R0.27 C=C(C)CNC(CC)CCC 2230a_100000747048_100000748629 [1,0,0,0,0,0|3,0,0]=4 239 B10R0.27 C=C(C)COC(CC)CCC 34a_100000687864_100000748629 [1,0,0,0,0,0|3,0,0]=4 240 B10R0.27 C=C(C)COC(CC)CCC 7a_100000687864_100000748629 [1,0,0,0,0,0|3,0,0]=4 241 B10R0.27 C=C(C)CSC(CC)CCC 62a_100000748629_100011219200 [1,0,0,0,0,0|3,0,0]=4 242 B10R0.27 C=C(C)CSC(CC)CCC 62a_100011219200_100000211660 [1,0,0,0,0,0|3,0,0]=4 243 B10R0.27 C=C(F)CNC(CC)CCC 2230a_100000747048_100009893438 [1,0,0,0,0,0|3,0,0]=4 244 B10R0.27 C=C(F)COC(CC)CCC 34a_100000687864_100009893438 [1,0,0,0,0,0|3,0,0]=4 245 B10R0.27 C=C(F)COC(CC)CCC 7a_100000687864_100000042424 [1,0,0,0,0,0|3,0,0]=4 246 B10R0.27 C=C(F)CSC(CC)CCC 62a_100000042424_100011219200 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.27 C=C(F)CSC(CC)CCC 62a_100011219200_100000042424 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.27 CCC(COC)NCC(=O)N 2230a_100000757820_100000747473 [1,0,0,0,0,0|3,0,0]=4 249 B10R0.27 CCC(COC)OCC(=O)N 7a_200011214946_100000187820 [1,0,0,0,0,0|3,0,0]=4 250 B10R0.27 CCCC(CC)NCC(=O)N 2230a_100000747048_100000747473 [1,0,0,0,0,0|2,0,0]=3 251 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [1,0,0,0,0,0|1,0,0]=2 252 B10R0.27 CCCC(CC)NCC(C)O 2230a_100000747048_100011218427 [1,0,0,0,0,0|2,0,1]=4 253 B10R0.27 CCCC(CC)NCC(C)O 270004a_100000210904_100000687865 [1,0,0,0,0,0|2,0,1]=4 254 B10R0.27 CCCC(CC)NC[C@@H](C)O 2230a_100000747048_100009817552 [1,0,0,0,0,0|2,0,1]=4 255 B10R0.27 CCCC(CC)OCC(=O)N 34a_100000687864_100000187820 [1,0,0,0,0,0|2,0,0]=3 256 B10R0.27 CCCC(CC)OCC(=O)N 7a_100000687864_100000187820 [1,0,0,0,0,0|2,0,0]=3 257 B10R0.27 CCCC(CC)OCC(=O)[O-] 34a_100000687864_100020667443 [1,0,0,0,0,0|1,0,1]=3 258 B10R0.27 CCCC(CC)OCC(C)O 34a_100000687864_100011218427 [1,0,0,0,0,0|2,0,1]=4 259 B10R0.27 CCCC(CC)OCC(C)O 7a_100000687864_100011218427 [1,0,0,0,0,0|2,0,1]=4 260 B10R0.27 CCCC(CC)OC[C@@H](C)O 34a_100000687864_100009817552 [1,0,0,0,0,0|2,0,1]=4 261 B10R0.27 CCCC(CC)OC[C@@H](C)O 7a_100000687864_100009817552 [1,0,0,0,0,0|2,0,1]=4 262 B10R0.27 CCCC(CC)OC[N+](=O)[O-] 34a_100000687864_100000761209 [1,0,0,0,0,0|2,0,1]=4 263 B10R0.27 CCCC(CC)SCC(=O)N 62a_100000747473_100011219200 [1,0,0,0,0,0|2,0,0]=3 264 B10R0.27 CCCC(CC)SCC(=O)N 62a_100011219200_100000747473 [1,0,0,0,0,0|2,0,0]=3 265 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100011219200_100020667443 [1,0,0,0,0,0|1,0,1]=3 266 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100020667443_100011219200 [1,0,0,0,0,0|1,0,1]=3 267 B10R0.27 CCCC(CC)SCC(C)O 62a_100011218427_100011219200 [1,0,0,0,0,0|2,0,1]=4 268 B10R0.27 CCCC(CC)SCC(C)O 62a_100011219200_100011218427 [1,0,0,0,0,0|2,0,1]=4 269 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100009817552_100011219200 [1,0,0,0,0,0|2,0,1]=4 270 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100011219200_100009817552 [1,0,0,0,0,0|2,0,1]=4 271 B10R0.27 CCCC(CC)SC[N+](=O)[O-] 62a_100011219200_100000761209 [1,0,0,0,0,0|2,0,1]=4 272 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [1,0,0,0,0,0|2,0,0]=3 273 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100000226822_100000744528 [1,0,0,0,0,0|2,0,0]=3 274 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100020645749_100000210303 [1,0,0,0,0,0|2,0,0]=3 275 B10R0.27 CCCN(CC)CCC(=O)N 269982a_100000226822_100000744528 [1,0,0,0,0,0|2,0,0]=3 276 B10R0.27 CCCN(CC)CCC(C)O 2230a_100000226822_100012276601 [1,0,0,0,0,0|2,0,1]=4 277 B10R0.27 CCCN(CC)CCC(C)O 269982a_100000226822_100012276601 [1,0,0,0,0,0|2,0,1]=4 278 B10R0.27 CCCN(CC)COC(=O)C 269982a_100000226822_100000076356 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.27 CCC[C@@H](CO)NCC(=O)N 2230a_100000732646_100000747473 [1,0,0,0,0,0|3,0,0]=4 280 B10R0.27 CCC[C@@H](CO)NCC(=O)N 34a_100000732646_100000187820 [1,0,0,0,0,0|3,0,0]=4 281 B10R0.27 CCC[C@@H](CO)NCC(=O)[O-] 34a_100000732646_100020667443 [1,0,0,0,0,0|2,0,1]=4 282 B10R0.27 CCN(CCC(=O)N)COC 2230a_100020645749_100000766300 [1,0,0,0,0,0|3,0,0]=4 283 B10R0.27 CCN(CCC(=O)N)CSC 2230a_100020645749_100011218213 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.27 CCN(CCF)CCC(=O)N 2230a_100020645749_100011217306 [1,0,0,0,0,0|3,0,0]=4 285 B10R0.27 CCN(CCO)CCC(=O)C 269982a_100000210973_100000053229 [1,0,0,0,0,0|3,0,0]=4 286 B10R0.27 CCN(CCO)CCC(=O)N 2230a_100000210973_100000744528 [1,0,0,0,0,0|3,0,0]=4 287 B10R0.27 CCN(CCO)CCC(=O)N 2230a_100020645749_100000211926 [1,0,0,0,0,0|3,0,0]=4 288 B10R0.27 CCN(CCO)CCC(=O)N 269982a_100000210973_100000744528 [1,0,0,0,0,0|3,0,0]=4 289 B10R0.27 CCOC(CC)CNC(=O)C 11a_100015183923_100015343762 [1,0,0,0,0,0|3,0,0]=4 290 B10R0.27 CCOC(CC)CNC(=O)C 1626a_100015183923_100015343762 [1,0,0,0,0,0|3,0,0]=4 291 B10R0.27 CCOC(CC)CNC(=O)C 240690a_100015183923_100015343762 [1,0,0,0,0,0|3,0,0]=4 292 B10R0.27 CCOC(CC)CNC(=O)C 527a_100015183923_100103153847 [1,0,0,0,0,0|3,0,0]=4 293 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [1,0,0,0,0,0|3,0,0]=4 294 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [1,0,0,0,0,0|3,0,0]=4 295 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [1,0,0,0,0,0|3,0,0]=4 296 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [1,0,0,0,0,0|3,0,0]=4 297 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [1,0,0,0,0,0|3,0,0]=4 298 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [1,0,0,0,0,0|3,0,0]=4 299 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [1,0,0,0,0,0|3,0,0]=4 300 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [1,0,0,0,0,0|3,0,0]=4 301 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [1,0,0,0,0,0|3,0,0]=4 302 B10R0.78 C=C(F)CNC(C)CCCC 2230a_100000126638_100009893438 [1,0,0,0,0,0|3,0,0]=4 303 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [1,0,0,0,0,0|3,0,0]=4 304 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [1,0,0,0,0,0|3,0,0]=4 305 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [1,0,0,0,0,0|3,0,0]=4 306 B10R0.78 C=C(F)CSC(C)CCCC 62a_100000042424_200011215066 [1,0,0,0,0,0|3,0,0]=4 307 B10R0.78 C=C(F)CSC(C)CCCC 62a_200011215066_100000042424 [1,0,0,0,0,0|3,0,0]=4 308 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [1,0,0,0,0,0|3,0,0]=4 309 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [1,0,0,0,0,0|3,0,0]=4 310 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [1,0,0,0,0,0|3,0,0]=4 311 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [1,0,0,0,0,0|3,0,0]=4 312 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [1,0,0,0,0,0|3,0,0]=4 313 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,0,0,0,0,0|1,0,0]=2 316 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,0,0,0,0,0|1,0,0]=2 317 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [1,0,0,0,0,0|2,0,0]=3 318 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [1,0,0,0,0,0|2,0,0]=3 319 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,0,0,0,0,0|1,0,0]=2 320 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [1,0,0,0,0,0|2,0,1]=4 321 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [1,0,0,0,0,0|2,0,1]=4 322 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [1,0,0,0,0,0|2,0,1]=4 323 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [1,0,0,0,0,0|2,0,1]=4 324 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [1,0,0,0,0,0|2,0,1]=4 325 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,0,0,0,0,0|2,0,0]=3 326 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [1,0,0,0,0,0|2,0,0]=3 327 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [1,0,0,0,0,0|2,0,0]=3 328 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [1,0,0,0,0,0|1,0,1]=3 329 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [1,0,0,0,0,0|2,0,1]=4 330 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [1,0,0,0,0,0|2,0,1]=4 331 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [1,0,0,0,0,0|2,0,1]=4 332 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [1,0,0,0,0,0|2,0,1]=4 333 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [1,0,0,0,0,0|2,0,1]=4 334 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [1,0,0,0,0,0|2,0,0]=3 335 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [1,0,0,0,0,0|2,0,0]=3 336 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [1,0,0,0,0,0|1,0,1]=3 337 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [1,0,0,0,0,0|1,0,1]=3 338 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [1,0,0,0,0,0|2,0,1]=4 339 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [1,0,0,0,0,0|2,0,1]=4 340 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [1,0,0,0,0,0|2,0,1]=4 342 B10R0.78 CCCCC(C)SC[N+](=O)[O-] 62a_200011215066_100000761209 [1,0,0,0,0,0|2,0,1]=4 343 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,0,0,0,0,0|2,0,0]=3 344 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,0,0,0,0,0|2,0,0]=3 345 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,0,0,0,0,0|2,0,0]=3 346 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,0,0,0,0,0|2,0,0]=3 347 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [1,0,0,0,0,0|2,0,1]=4 348 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [1,0,0,0,0,0|2,0,1]=4 349 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [1,0,0,0,0,0|3,0,0]=4 350 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [1,0,0,0,0,0|3,0,0]=4 351 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [1,0,0,0,0,0|3,0,0]=4 352 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [1,0,0,0,0,0|3,0,0]=4 353 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [1,0,0,0,0,0|3,0,0]=4 354 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [1,0,0,0,0,0|3,0,0]=4 355 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [1,0,0,0,0,0|3,0,0]=4 356 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [1,0,0,0,0,0|3,0,0]=4 357 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [1,0,0,0,0,0|3,0,0]=4 358 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [1,0,0,0,0,0|3,0,0]=4 359 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [1,0,0,0,0,0|3,0,0]=4 361 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [1,0,0,0,0,0|3,0,0]=4 362 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [1,0,0,0,0,0|3,0,0]=4 363 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [1,0,0,0,0,0|3,0,0]=4 364 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [1,0,0,0,0,0|3,0,0]=4 365 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [1,0,0,0,0,0|3,0,0]=4 366 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [1,0,0,0,0,0|3,0,0]=4 367 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [1,0,0,0,0,0|3,0,0]=4 368 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000730477_100011201679 [1,0,0,0,0,0|3,0,0]=4 369 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000743101_100000744528 [1,0,0,0,0,0|3,0,0]=4 370 B10R0.78 COCCN(C)CCC(=O)N 269982a_100000743101_100000744528 [1,0,0,0,0,0|3,0,0]=4 371 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [1,0,0,0,0,0|3,0,0]=4 372 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [1,0,0,0,0,0|3,0,0]=4 373 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [1,0,0,0,0,0|3,0,0]=4 374 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [1,0,0,0,0,0|3,0,0]=4 375 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [1,0,0,0,0,0|3,0,0]=4 376 B12R0.12 C=C(C)CCN(CCC)CCCC 2230a_200000207744_100000730704 [0,1,0,0,0,0|3,0,0]=4 377 B12R0.12 C=C(C)CCN(CCC)CCCC 269982a_200000207744_100000730704 [0,1,0,0,0,0|3,0,0]=4 378 B12R0.12 C=C(C)CCN(CCO)CCCC 2230a_100000198060_100000730704 [0,1,0,0,0,0|3,0,0]=4 379 B12R0.12 C=C(C)CCN(CCO)CCCC 269982a_100000198060_100000730704 [0,1,0,0,0,0|3,0,0]=4 380 B12R0.12 C=C(C)COC(CCC)CCCC 34a_100000210245_100000211913 [0,1,0,0,0,0|3,0,0]=4 381 B12R0.12 C=C(C)COC(CCC)CCCC 34a_100011215800_100000748629 [0,1,0,0,0,0|3,0,0]=4 382 B12R0.12 C=C(C)COC(CCC)CCCC 7a_100011215800_100000748629 [0,1,0,0,0,0|3,0,0]=4 383 B12R0.12 C=C(C)CSC(CCC)CCCC 62a_100000211913_100000211660 [0,1,0,0,0,0|3,0,0]=4 384 B12R0.12 C=C(C)CSC(CCC)CCCC 62a_100000748629_100000211913 [0,1,0,0,0,0|3,0,0]=4 385 B12R0.12 C=C(F)COC(CCC)CCCC 34a_100011215800_100009893438 [0,1,0,0,0,0|3,0,0]=4 386 B12R0.12 C=C(F)COC(CCC)CCCC 34a_200010262243_100000211913 [0,1,0,0,0,0|3,0,0]=4 387 B12R0.12 C=C(F)COC(CCC)CCCC 7a_100011215800_100000042424 [0,1,0,0,0,0|3,0,0]=4 388 B12R0.12 C=C(F)CSC(CCC)CCCC 62a_100000042424_100000211913 [0,1,0,0,0,0|3,0,0]=4 389 B12R0.12 C=C(F)CSC(CCC)CCCC 62a_100000211913_100000042424 [0,1,0,0,0,0|3,0,0]=4 390 B12R0.12 C=CCC(CCCC)OCC(=O)N 34a_200011216941_100000187820 [0,1,0,0,0,0|2,0,1]=4 391 B12R0.12 C=CCC(CCCC)OCC(=O)N 7a_200011216941_100000187820 [0,1,0,0,0,0|2,0,1]=4 392 B12R0.12 C=CCC(CCCC)OCC(=O)[O-] 34a_200011216941_100020667443 [0,1,0,0,0,0|1,0,2]=4 393 B12R0.12 CC(=O)CCN(CCO)CCCO 269982a_200000212863_100000053229 [0,1,0,0,0,0|3,0,0]=4 394 B12R0.12 CCCCC(CCC)NCC(=O)O 269956a_100016091260_100000211913 [0,1,0,0,0,0|1,0,0]=2 395 B12R0.12 CCCCC(CCC)NCC(C)O 34a_100000210904_100000211913 [0,1,0,0,0,0|2,0,1]=4 396 B12R0.12 CCCCC(CCC)OCC(=O)C 34a_100000211253_100000211913 [0,1,0,0,0,0|2,0,0]=3 397 B12R0.12 CCCCC(CCC)OCC(=O)N 34a_100011215800_100000187820 [0,1,0,0,0,0|2,0,0]=3 398 B12R0.12 CCCCC(CCC)OCC(=O)N 7a_100011215800_100000187820 [0,1,0,0,0,0|2,0,0]=3 399 B12R0.12 CCCCC(CCC)OCC(=O)[O-] 34a_100011215800_100020667443 [0,1,0,0,0,0|1,0,1]=3 400 B12R0.12 CCCCC(CCC)OCC(C)O 34a_100011215800_100011218427 [0,1,0,0,0,0|2,0,1]=4 401 B12R0.12 CCCCC(CCC)OCC(C)O 7a_100011215800_100011218427 [0,1,0,0,0,0|2,0,1]=4 402 B12R0.12 CCCCC(CCC)OC[C@@H](C)O 34a_100011215800_100009817552 [0,1,0,0,0,0|2,0,1]=4 403 B12R0.12 CCCCC(CCC)OC[C@@H](C)O 7a_100011215800_100009817552 [0,1,0,0,0,0|2,0,1]=4 404 B12R0.12 CCCCC(CCC)OC[N+](=O)[O-] 34a_100011215800_100000761209 [0,1,0,0,0,0|2,0,1]=4 405 B12R0.12 CCCCC(CCC)SCC(=O)N 62a_100000211913_100000747473 [0,1,0,0,0,0|2,0,0]=3 406 B12R0.12 CCCCC(CCC)SCC(=O)N 62a_100000747473_100000211913 [0,1,0,0,0,0|2,0,0]=3 407 B12R0.12 CCCCC(CCC)SCC(=O)[O-] 62a_100000211913_100020667443 [0,1,0,0,0,0|1,0,1]=3 408 B12R0.12 CCCCC(CCC)SCC(=O)[O-] 62a_100020667443_100000211913 [0,1,0,0,0,0|1,0,1]=3 409 B12R0.12 CCCCC(CCC)SCC(C)O 62a_100000211913_100011218427 [0,1,0,0,0,0|2,0,1]=4 410 B12R0.12 CCCCC(CCC)SCC(C)O 62a_100011218427_100000211913 [0,1,0,0,0,0|2,0,1]=4 411 B12R0.12 CCCCC(CCC)SC[C@@H](C)O 62a_100000211913_100009817552 [0,1,0,0,0,0|2,0,1]=4 412 B12R0.12 CCCCC(CCC)SC[C@@H](C)O 62a_100009817552_100000211913 [0,1,0,0,0,0|2,0,1]=4 413 B12R0.12 CCCCC(CCC)SC[N+](=O)[O-] 62a_100000211913_100000761209 [0,1,0,0,0,0|2,0,1]=4 414 B12R0.12 CCCCN(CC#N)CCC(=O)N 2230a_200011192266_100000744528 [0,1,0,0,0,0|2,0,1]=4 415 B12R0.12 CCCCN(CCC)CCC(=O)C 269982a_200000207744_100000053229 [0,1,0,0,0,0|2,0,0]=3 416 B12R0.12 CCCCN(CCC)CCC(=O)N 2230a_200000207744_100000744528 [0,1,0,0,0,0|2,0,0]=3 417 B12R0.12 CCCCN(CCC)CCC(=O)N 269982a_200000207744_100000744528 [0,1,0,0,0,0|2,0,0]=3 418 B12R0.12 CCCCN(CCC)CCC(C)O 2230a_200000207744_100012276601 [0,1,0,0,0,0|2,0,1]=4 419 B12R0.12 CCCCN(CCC)CCC(C)O 269982a_200000207744_100012276601 [0,1,0,0,0,0|2,0,1]=4 420 B12R0.12 CCCCN(CCC)COC(=O)C 269982a_200000207744_100000076356 [0,1,0,0,0,0|3,0,0]=4 421 B12R0.12 CCCCN(CCO)CCC(=O)C 269982a_100000198060_100000053229 [0,1,0,0,0,0|2,0,0]=3 422 B12R0.12 CCCCN(CCO)CCC(=O)N 2230a_100000198060_100000744528 [0,1,0,0,0,0|2,0,0]=3 423 B12R0.12 CCCCN(CCO)CCC(=O)N 269982a_100000198060_100000744528 [0,1,0,0,0,0|2,0,0]=3 424 B12R0.12 CCCCN(CCO)CCC(C)O 2230a_100000198060_100012276601 [0,1,0,0,0,0|2,0,1]=4 425 B12R0.12 CCCCN(CCO)CCC(C)O 269982a_100000198060_100012276601 [0,1,0,0,0,0|2,0,1]=4 426 B12R0.12 CCCCN(CCO)COC(=O)C 269982a_100000198060_100000076356 [0,1,0,0,0,0|3,0,0]=4 427 B12R0.12 CCCN(CCOC)CCC(=O)C 269982a_200011192371_100000053229 [0,1,0,0,0,0|3,0,0]=4 428 B12R0.12 CCCN(CCOC)CCC(=O)N 2230a_200011192371_100000744528 [0,1,0,0,0,0|3,0,0]=4 429 B12R0.12 CCCN(CCOC)CCC(=O)N 269982a_200011192371_100000744528 [0,1,0,0,0,0|3,0,0]=4 430 B12R0.12 NC(=O)CCN(CCO)CCCO 2230a_200000212863_100000744528 [0,1,0,0,0,0|3,0,0]=4 431 B12R0.12 NC(=O)CCN(CCO)CCCO 269982a_200000212863_100000744528 [0,1,0,0,0,0|3,0,0]=4 432 B12R0.55 C=C(C)CCN(CCCC)C(C)C 2230a_100000207398_100000730704 [0,1,0,0,0,0|3,0,0]=4 433 B12R0.55 C=C(C)CCN(CCCC)C(C)C 269982a_100000207398_100000730704 [0,1,0,0,0,0|3,0,0]=4 434 B12R0.55 CC(=O)CCN(CCCO)C(C)C 269982a_100000182298_100000053229 [0,1,0,0,0,0|3,0,0]=4 435 B12R0.55 CC(C)N(CCCF)CCC(=O)N 2230a_100011191440_100011934791 [0,1,0,0,0,0|3,0,0]=4 436 B12R0.55 CC(C)N(CCCF)CCC(=O)N 269982a_100011191440_100011934791 [0,1,0,0,0,0|3,0,0]=4 437 B12R0.55 CC(C)N(CCCO)CCC(=O)N 2230a_100000182298_100000744528 [0,1,0,0,0,0|3,0,0]=4 438 B12R0.55 CC(C)N(CCCO)CCC(=O)N 2230a_100011191440_100000230001 [0,1,0,0,0,0|3,0,0]=4 439 B12R0.55 CC(C)N(CCCO)CCC(=O)N 269982a_100000182298_100000744528 [0,1,0,0,0,0|3,0,0]=4 440 B12R0.55 CC(C)N(CCCO)CCC(=O)N 269982a_100011191440_100011215043 [0,1,0,0,0,0|3,0,0]=4 441 B12R0.55 CCCCC(NCC(=O)O)C(=O)N 269956a_100016091260_100000748834 [0,1,0,0,0,0|2,0,1]=4 442 B12R0.55 CCCCC(NCC(C)O)C(C)C 270004a_100000210904_200011215219 [0,1,0,0,0,0|2,0,1]=4 443 B12R0.55 CCCCN(CCC(=O)C)C(C)C 269982a_100000207398_100000053229 [0,1,0,0,0,0|2,0,0]=3 444 B12R0.55 CCCCN(CCC(=O)N)C(C)C 2230a_100000207398_100000744528 [0,1,0,0,0,0|2,0,0]=3 445 B12R0.55 CCCCN(CCC(=O)N)C(C)C 2230a_100011191440_100000210211 [0,1,0,0,0,0|2,0,0]=3 446 B12R0.55 CCCCN(CCC(=O)N)C(C)C 269982a_100000207398_100000744528 [0,1,0,0,0,0|2,0,0]=3 447 B12R0.55 CCCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000210211 [0,1,0,0,0,0|2,0,0]=3 448 B12R0.55 CCCCN(CCC(C)O)C(C)C 2230a_100000207398_100012276601 [0,1,0,0,0,0|2,0,1]=4 449 B12R0.55 CCCCN(CCC(C)O)C(C)C 269982a_100000207398_100012276601 [0,1,0,0,0,0|2,0,1]=4 450 B12R0.55 CCCCN(COC(=O)C)C(C)C 269982a_100000207398_100000076356 [0,1,0,0,0,0|3,0,0]=4 451 B12R0.55 CCOCN(CCC(=O)N)C(C)C 269982a_100011191440_100000739092 [0,1,0,0,0,0|3,0,0]=4 452 B12R0.55 COCCN(CCC(=O)C)C(C)C 269982a_200000223778_100000053229 [0,1,0,0,0,0|3,0,0]=4 453 B12R0.55 COCCN(CCC(=O)N)C(C)C 2230a_100011191440_100011201679 [0,1,0,0,0,0|3,0,0]=4 454 B12R0.55 COCCN(CCC(=O)N)C(C)C 2230a_200000223778_100000744528 [0,1,0,0,0,0|3,0,0]=4 455 B12R0.55 COCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000233755 [0,1,0,0,0,0|3,0,0]=4 456 B12R0.55 COCCN(CCC(=O)N)C(C)C 269982a_200000223778_100000744528 [0,1,0,0,0,0|3,0,0]=4 457 B12R0.55 CSCCN(CCC(=O)N)C(C)C 2230a_100011191440_100000751147 [0,1,0,0,0,0|3,0,0]=4 458 B12R0.55 CSCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000212216 [0,1,0,0,0,0|3,0,0]=4 459 B12R0.77 C=C(C)COC(CC)C(C)CCC 34a_200011218412_100000748629 [0,1,0,0,0,0|3,0,0]=4 460 B12R0.77 C=C(C)COC(CC)C(C)CCC 7a_200011218412_100000748629 [0,1,0,0,0,0|3,0,0]=4 461 B12R0.77 C=C(F)COC(CC)C(C)CCC 34a_200011218412_100009893438 [0,1,0,0,0,0|3,0,0]=4 462 B12R0.77 C=C(F)COC(CC)C(C)CCC 7a_200011218412_100000042424 [0,1,0,0,0,0|3,0,0]=4 463 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 11a_100020645749_100000211992 [0,1,0,0,0,0|2,0,1]=4 464 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 1626a_100020645749_100000211992 [0,1,0,0,0,0|2,0,1]=4 465 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 240690a_100020645749_100000211992 [0,1,0,0,0,0|2,0,1]=4 466 B12R0.77 CCCC(=O)N(CC)CCC(=O)N 527a_100020645749_100000211992 [0,1,0,0,0,0|2,0,1]=4 467 B12R0.77 CCCC(C)C(CC)OCC(=O)N 34a_200011218412_100000187820 [0,1,0,0,0,0|2,0,0]=3 468 B12R0.77 CCCC(C)C(CC)OCC(=O)N 7a_200011218412_100000187820 [0,1,0,0,0,0|2,0,0]=3 469 B12R0.77 CCCC(C)C(CC)OCC(=O)[O-] 34a_200011218412_100020667443 [0,1,0,0,0,0|1,0,1]=3 470 B12R0.77 CCCC(C)C(CC)OCC(C)O 34a_200011218412_100011218427 [0,1,0,0,0,0|2,0,1]=4 471 B12R0.77 CCCC(C)C(CC)OCC(C)O 7a_200011218412_100011218427 [0,1,0,0,0,0|2,0,1]=4 472 B12R0.77 CCCC(C)C(CC)OC[C@@H](C)O 34a_200011218412_100009817552 [0,1,0,0,0,0|2,0,1]=4 473 B12R0.77 CCCC(C)C(CC)OC[C@@H](C)O 7a_200011218412_100009817552 [0,1,0,0,0,0|2,0,1]=4 474 B12R0.77 CCCC(C)C(CC)OC[N+](=O)[O-] 34a_200011218412_100000761209 [0,1,0,0,0,0|2,0,1]=4 475 B12R0.77 CCCC(C)N(CC)CCC(=O)N 2230a_100020645749_100000766640 [0,1,0,0,0,0|2,0,0]=3 476 B12R0.77 CCCC(C)N(CC)CCC(=O)N 270004a_100020645749_100000211909 [0,1,0,0,0,0|2,0,0]=3 477 B12R0.77 CCN(CCC(=O)C)C(C)CCO 269982a_100011935059_100000053229 [0,1,0,0,0,0|3,0,0]=4 478 B12R0.77 CCN(CCC(=O)N)C(C)CCO 2230a_100011935059_100000744528 [0,1,0,0,0,0|3,0,0]=4 479 B12R0.77 CCN(CCC(=O)N)C(C)CCO 2230a_100020645749_100009893172 [0,1,0,0,0,0|3,0,0]=4 480 B12R0.77 CCN(CCC(=O)N)C(C)CCO 269982a_100011935059_100000744528 [0,1,0,0,0,0|3,0,0]=4 481 B12R0.77 CCN(CCC(=O)N)C(C)COC 2230a_100020645749_100000765312 [0,1,0,0,0,0|3,0,0]=4 482 B12R0.77 CCN(CCC(=O)N)C(C)COC 270004a_100020645749_100000749346 [0,1,0,0,0,0|3,0,0]=4 483 B12R0.77 CCN(CCC(=O)N)C(C)CSC 270004a_100020645749_100011216314 [0,1,0,0,0,0|3,0,0]=4 484 B12R0.124 C#CCCCN(CC)CCC(=O)N 2230a_100020645749_100000731252 [0,1,0,0,0,0|2,0,1]=4 485 B12R0.124 C=C(C)CCN(CC)CCCCO 2230a_100011217355_100000730704 [0,1,0,0,0,0|3,0,0]=4 486 B12R0.124 C=C(C)CCN(CC)CCCCO 269982a_100011217355_100000730704 [0,1,0,0,0,0|3,0,0]=4 487 B12R0.124 C=C(C)COC(CC)CCCCC 34a_100011215405_100000748629 [0,1,0,0,0,0|3,0,0]=4 488 B12R0.124 C=C(C)COC(CC)CCCCC 7a_100011215405_100000748629 [0,1,0,0,0,0|3,0,0]=4 489 B12R0.124 C=C(F)COC(CC)CCCCC 34a_100011215405_100009893438 [0,1,0,0,0,0|3,0,0]=4 490 B12R0.124 C=C(F)COC(CC)CCCCC 7a_100011215405_100000042424 [0,1,0,0,0,0|3,0,0]=4 491 B12R0.124 C=CCCCN(CC)CCC(=O)N 2230a_100020645749_100011713584 [0,1,0,0,0,0|2,0,1]=4 492 B12R0.124 CC/C=C\CN(CC)CCC(=O)N 2230a_100020645749_100103147603 [0,1,0,0,0,0|2,0,1]=4 493 B12R0.124 CCC#CCN(CC)CCC(=O)N 2230a_100020645749_100009813939 [0,1,0,0,0,0|2,0,1]=4 494 B12R0.124 CCCCCC(CC)NCC(C)O 270004a_100000210904_100011215316 [0,1,0,0,0,0|2,0,1]=4 495 B12R0.124 CCCCCC(CC)OCC(=O)N 34a_100011215405_100000187820 [0,1,0,0,0,0|2,0,0]=3 496 B12R0.124 CCCCCC(CC)OCC(=O)N 7a_100011215405_100000187820 [0,1,0,0,0,0|2,0,0]=3 497 B12R0.124 CCCCCC(CC)OCC(=O)[O-] 34a_100011215405_100020667443 [0,1,0,0,0,0|1,0,1]=3 498 B12R0.124 CCCCCC(CC)OCC(C)O 34a_100011215405_100011218427 [0,1,0,0,0,0|2,0,1]=4 499 B12R0.124 CCCCCC(CC)OCC(C)O 7a_100011215405_100011218427 [0,1,0,0,0,0|2,0,1]=4 500 B12R0.124 CCCCCC(CC)OC[C@@H](C)O 34a_100011215405_100009817552 [0,1,0,0,0,0|2,0,1]=4 501 B12R0.124 CCCCCC(CC)OC[C@@H](C)O 7a_100011215405_100009817552 [0,1,0,0,0,0|2,0,1]=4 502 B12R0.124 CCCCCC(CC)OC[N+](=O)[O-] 34a_100011215405_100000761209 [0,1,0,0,0,0|2,0,1]=4 503 B12R0.124 CCCCCC(CCC(=O)N)OC 34a_200009835076_200000210301 [0,1,0,0,0,0|2,0,0]=3 504 B12R0.124 CCCCCC(CCC(=O)N)OC 7a_200009835076_200000210301 [0,1,0,0,0,0|2,0,0]=3 505 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 34a_200009835076_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 7a_200009835076_200025704644 [0,1,0,0,0,0|2,0,0]=3 507 B12R0.124 CCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210326 [0,1,0,0,0,0|2,0,0]=3 508 B12R0.124 CCCCOC(CC)CCC(C)C 34a_100011216567_100000210210 [0,1,0,0,0,0|2,0,1]=4 509 B12R0.124 CCCCOC(CC)CCC(C)C 7a_100011216567_100000210211 [0,1,0,0,0,0|2,0,1]=4 510 B12R0.124 CCCCOC(CCl)COC(=O)C 7a_200000139349_100000210211 [0,1,0,0,0,0|3,0,0]=4 511 B12R0.124 CCN(CCCC#N)CCC(=O)N 2230a_100020645749_100000687738 [0,1,0,0,0,0|2,0,1]=4 512 B12R0.124 CCN(CCCC=O)CCC(=O)N 2230a_100020645749_200011292268 [0,1,0,0,0,0|2,0,1]=4 513 B12R0.124 CCN(CCCCF)CCC(=O)N 2230a_100020645749_100000729493 [0,1,0,0,0,0|2,0,0]=3 514 B12R0.124 CCN(CCCCO)CCC(=O)C 269982a_100011217355_100000053229 [0,1,0,0,0,0|2,0,0]=3 515 B12R0.124 CCN(CCCCO)CCC(=O)N 2230a_100011217355_100000744528 [0,1,0,0,0,0|2,0,0]=3 516 B12R0.124 CCN(CCCCO)CCC(=O)N 2230a_100020645749_100000210776 [0,1,0,0,0,0|2,0,0]=3 517 B12R0.124 CCN(CCCCO)CCC(=O)N 269982a_100011217355_100000744528 [0,1,0,0,0,0|2,0,0]=3 518 B12R0.124 CCN(CCCCO)CCC(C)O 2230a_100011217355_100012276601 [0,1,0,0,0,0|2,0,1]=4 519 B12R0.124 CCN(CCCCO)CCC(C)O 269982a_100011217355_100012276601 [0,1,0,0,0,0|2,0,1]=4 520 B12R0.124 CCN(CCCCO)COC(=O)C 269982a_100011217355_100000076356 [0,1,0,0,0,0|3,0,0]=4 521 B12R0.124 CCN(CCCOC)CCC(=O)N 2230a_100020645749_100000740836 [0,1,0,0,0,0|2,0,0]=3 522 B12R0.124 CCOCCN(CC)CCC(=O)N 2230a_100020645749_100011215890 [0,1,0,0,0,0|2,0,0]=3 523 B12R0.124 CCSCCN(CC)CCC(=O)N 2230a_100020645749_100000757381 [0,1,0,0,0,0|2,0,0]=3 524 B12R0.154 C=C(C)CCN(CC)CC(O)CC 2230a_100011365200_100000730704 [0,1,0,0,0,0|3,0,0]=4 525 B12R0.154 C=C(C)CCN(CC)CC(O)CC 269982a_100011365200_100000730704 [0,1,0,0,0,0|3,0,0]=4 526 B12R0.154 C=C(C)COC(CC)CC(C)CC 7a_200011216566_100000748629 [0,1,0,0,0,0|3,0,0]=4 527 B12R0.154 C=C(F)COC(CC)CC(C)CC 7a_200011216566_100000042424 [0,1,0,0,0,0|3,0,0]=4 528 B12R0.154 CCC(C)CC(CC)NCC(C)O 270004a_100000210904_100000184709 [0,1,0,0,0,0|2,0,1]=4 529 B12R0.154 CCC(C)CC(CC)OCC(=O)N 7a_200011216566_100000187820 [0,1,0,0,0,0|2,0,0]=3 530 B12R0.154 CCC(C)CC(CC)OCC(C)O 7a_200011216566_100011218427 [0,1,0,0,0,0|2,0,1]=4 531 B12R0.154 CCC(C)CC(CC)OC[C@@H](C)O 7a_200011216566_100009817552 [0,1,0,0,0,0|2,0,1]=4 532 B12R0.154 CCC(C)CN(CC)CCC(=O)N 2230a_100020645749_100000748023 [0,1,0,0,0,0|2,0,0]=3 533 B12R0.154 CCC(C)CN(CC)CCC(=O)N 270004a_100020645749_100000243153 [0,1,0,0,0,0|2,0,0]=3 534 B12R0.154 CCC(O)CN(CC)CCC(=O)C 269982a_100011365200_100000053229 [0,1,0,0,0,0|2,0,0]=3 535 B12R0.154 CCC(O)CN(CC)CCC(=O)N 2230a_100011365200_100000744528 [0,1,0,0,0,0|2,0,0]=3 536 B12R0.154 CCC(O)CN(CC)CCC(=O)N 2230a_100020645749_100011218378 [0,1,0,0,0,0|2,0,0]=3 537 B12R0.154 CCC(O)CN(CC)CCC(=O)N 269982a_100011365200_100000744528 [0,1,0,0,0,0|2,0,0]=3 538 B12R0.154 CCC(O)CN(CC)CCC(C)O 2230a_100011365200_100012276601 [0,1,0,0,0,0|2,0,1]=4 539 B12R0.154 CCC(O)CN(CC)CCC(C)O 269982a_100011365200_100012276601 [0,1,0,0,0,0|2,0,1]=4 540 B12R0.154 CCC(O)CN(CC)COC(=O)C 269982a_100011365200_100000076356 [0,1,0,0,0,0|3,0,0]=4 541 B12R0.154 CCN(CCC(=O)N)CC(O)CO 2230a_100020645749_100011219619 [0,1,0,0,0,0|3,0,0]=4 542 B12R0.154 CCN(CCC(=O)N)C[C@@H](C)CO 2230a_100020645749_100000059175 [0,1,0,0,0,0|3,0,0]=4 543 B12R0.154 CCN(CCC(=O)N)C[C@@H](O)CF 2230a_100020645749_100015614560 [0,1,0,0,0,0|3,0,0]=4 544 B12R0.154 CCN(CCC(=O)N)C[C@@H](O)CO 2230a_100020645749_100009815848 [0,1,0,0,0,0|3,0,0]=4 545 B12R0.154 CC[C@H](C)CN(CC)CCC(=O)N 2230a_100020645749_100009816398 [0,1,0,0,0,0|2,0,0]=3 546 B12R0.215 C=C(C)CC(=O)C(CC)CCCC 1458a_100000211130_100000748629 [0,1,0,0,0,0|2,0,1]=4 547 B12R0.215 C=C(C)CN(C)C(CC)CCCC 269982a_100000225649_200011216223 [0,1,0,0,0,0|3,0,0]=4 548 B12R0.215 C=C(C)CN(C)C(CC)CCCC 270004a_100000225649_100000753412 [0,1,0,0,0,0|3,0,0]=4 549 B12R0.215 C=C(F)CC(=O)C(CC)CCCC 1458a_100000211130_100009893438 [0,1,0,0,0,0|2,0,1]=4 550 B12R0.215 CCCCC(CC)C(=O)CC(=O)N 1458a_100000211130_100000187820 [0,1,0,0,0,0|1,0,1]=3 551 B12R0.215 CCCCC(CC)C(=O)CC(=O)N 1458a_100134613110_200011216223 [0,1,0,0,0,0|1,0,1]=3 552 B12R0.215 CCCCC(CC)C(=O)CC(=O)[O-] 1458a_100000211130_100020667443 [0,1,0,0,0,0|0,0,2]=3 553 B12R0.215 CCCCC(CC)C(=O)CC(C)O 1458a_100000211130_100011218427 [0,1,0,0,0,0|1,0,2]=4 554 B12R0.215 CCCCC(CC)C(=O)C[C@@H](C)O 1458a_100011933948_200011216223 [0,1,0,0,0,0|1,0,2]=4 555 B12R0.215 CCCCC(CC)C(=O)C[N+](=O)[O-] 1458a_100000211130_100000761209 [0,1,0,0,0,0|1,0,2]=4 556 B12R0.215 CCCCC(CC)N(C)CC(=O)N 270004a_100000739694_100000753412 [0,1,0,0,0,0|2,0,0]=3 557 B12R0.215 CCCCC(CC)N(C)CC(=O)O 269956a_100000746989_200011216223 [0,1,0,0,0,0|1,0,0]=2 558 B12R0.215 CCCCC(CC)N(C)CC(C)O 269982a_100000227577_200011216223 [0,1,0,0,0,0|2,0,1]=4 559 B12R0.215 CCCCC(CC)N(C)CC(C)O 270004a_100000227577_100000753412 [0,1,0,0,0,0|2,0,1]=4 560 B12R0.215 CCCCN(CC)C(=O)CC(=O)C 1458a_100000070787_100000230192 [0,1,0,0,0,0|2,0,1]=4 561 B12R0.215 CCCCN(CC)C(=O)CC(=O)N 240690a_100000207695_100134613110 [0,1,0,0,0,0|2,0,1]=4 562 B12R0.215 CCCCN(CC)C(=O)CC(=O)N 527a_100000207695_100134613110 [0,1,0,0,0,0|2,0,1]=4 563 B12R0.215 CCCCN(CC)C(C)OC(=O)C 269982a_100000207695_100009818208 [0,1,0,0,0,0|3,0,0]=4 564 B12R0.216 C#CC(CCCC)OCC(=O)OC 34a_200011217967_100000747449 [0,1,0,0,0,0|1,0,2]=4 565 B12R0.216 C#CC(CCCC)OCC(=O)OC 7a_200011217967_100000747449 [0,1,0,0,0,0|1,0,2]=4 566 B12R0.216 C#CCCN(CC)CCC(=O)OC 2230a_100000229097_100000688953 [0,1,0,0,0,0|1,0,2]=4 567 B12R0.216 C#CCCN(CC)CCC(=O)OC 269982a_100000229097_100000730999 [0,1,0,0,0,0|1,0,2]=4 568 B12R0.216 C/C=C/CN(CC)CCC(=O)OC 269982a_100000229097_100102629194 [0,1,0,0,0,0|1,0,2]=4 569 B12R0.216 C=C(C#N)COC(CC)CCCC 34a_100011215227_100000694840 [0,1,0,0,0,0|3,0,0]=4 570 B12R0.216 C=C(C#N)CSC(CC)CCCC 62a_200011216223_100000694840 [0,1,0,0,0,0|3,0,0]=4 571 B12R0.216 C=CC(=O)NCC(CC)CCCC 1626a_100000209976_100000185746 [0,1,0,0,0,0|2,0,0]=3 572 B12R0.216 C=CC(=O)NCC(CC)CCCC 240690a_100000209976_200121576911 [0,1,0,0,0,0|2,0,0]=3 573 B12R0.216 C=CC(CCCC)OCC(=O)OC 34a_200011215037_100000747449 [0,1,0,0,0,0|1,0,2]=4 574 B12R0.216 C=CC(CCCC)OCC(=O)OC 7a_200011215037_100000747449 [0,1,0,0,0,0|1,0,2]=4 575 B12R0.216 C=CC(O)COC(CC)CCCC 34a_100011215227_100000730141 [0,1,0,0,0,0|2,0,1]=4 576 B12R0.216 C=CC(O)COC(CC)CCCC 7a_100011215227_100000730141 [0,1,0,0,0,0|2,0,1]=4 577 B12R0.216 C=CC(O)CSC(CC)CCCC 62a_100000730141_200011216223 [0,1,0,0,0,0|2,0,1]=4 578 B12R0.216 C=CC(O)CSC(CC)CCCC 62a_200011216223_100000730141 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.216 C=CCCN(CC)CCC(=O)OC 2230a_100000229097_100000754431 [0,1,0,0,0,0|1,0,2]=4 580 B12R0.216 C=CCCN(CC)CCC(=O)OC 269982a_100000229097_100000754431 [0,1,0,0,0,0|1,0,2]=4 581 B12R0.216 CC#CCN(CC)CCC(=O)OC 2230a_100000229097_100000748600 [0,1,0,0,0,0|1,0,2]=4 582 B12R0.216 CC=CCN(CC)CCC(=O)OC 2230a_100000229097_100000070051 [0,1,0,0,0,0|1,0,2]=4 583 B12R0.216 CCCCC(CC)CCC(=O)CC 1458a_100011216959_100000210202 [0,1,0,0,0,0|1,0,0]=2 584 B12R0.216 CCCCC(CC)CCC(=O)CF 1458a_100011216959_100015361967 [0,1,0,0,0,0|1,0,0]=2 585 B12R0.216 CCCCC(CC)CCC(=O)NC 11a_106832991635_100011216959 [0,1,0,0,0,0|1,0,0]=2 586 B12R0.216 CCCCC(CC)CCC(=O)NC 1626a_100102657272_100011216959 [0,1,0,0,0,0|1,0,0]=2 587 B12R0.216 CCCCC(CC)CCC(=O)NC 240690a_100102657272_100011216959 [0,1,0,0,0,0|1,0,0]=2 588 B12R0.216 CCCCC(CC)CCC(=O)NC 527a_100102657272_100011216959 [0,1,0,0,0,0|1,0,0]=2 589 B12R0.216 CCCCC(CC)CNC(=O)CC 11a_100000209976_100000210414 [0,1,0,0,0,0|2,0,0]=3 590 B12R0.216 CCCCC(CC)CNC(=O)CC 1626a_100000209976_100000210414 [0,1,0,0,0,0|2,0,0]=3 591 B12R0.216 CCCCC(CC)CNC(=O)CC 240690a_100000209976_100000210414 [0,1,0,0,0,0|2,0,0]=3 592 B12R0.216 CCCCC(CC)CNC(=O)CC 527a_100000209976_100000210414 [0,1,0,0,0,0|2,0,0]=3 593 B12R0.216 CCCCC(CC)CNC(=O)CO 240690a_100000209976_100000210174 [0,1,0,0,0,0|1,0,0]=2 594 B12R0.216 CCCCC(CC)CNC(=O)CO 527a_100000209976_100000210174 [0,1,0,0,0,0|1,0,0]=2 595 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100000209976_106832991635 [0,1,0,0,0,0|2,0,0]=3 596 B12R0.216 CCCCC(CC)CNC(=O)NC 2708a_100102657272_100000209976 [0,1,0,0,0,0|2,0,0]=3 597 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100000209976_100102657272 [0,1,0,0,0,0|2,0,0]=3 598 B12R0.216 CCCCC(CC)CNC(=O)NC 273464a_100102657272_100000209976 [0,1,0,0,0,0|2,0,0]=3 599 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_100000209976_100102657272 [0,1,0,0,0,0|2,0,0]=3 600 B12R0.216 CCCCC(CC)CNC(=O)NC 512a_106832991638_100000209976 [0,1,0,0,0,0|2,0,0]=3 601 B12R0.216 CCCCC(CC)CNC(C)CO 2230a_100000209976_100012180447 [0,1,0,0,0,0|2,0,1]=4 602 B12R0.216 CCCCC(CC)CN[C@H](C)CO 2230a_100000737577_100000211942 [0,1,0,0,0,0|2,0,1]=4 603 B12R0.216 CCCCC(CC)CN[C@H](C)CO 269862a_100000737577_100011219736 [0,1,0,0,0,0|2,0,1]=4 604 B12R0.216 CCCCC(CC)CN[C@H](C)CO 270004a_100000737577_100011219736 [0,1,0,0,0,0|2,0,1]=4 605 B12R0.216 CCCCC(CC)COC(C)CO 34a_100000210273_100012180447 [0,1,0,0,0,0|2,0,1]=4 606 B12R0.216 CCCCC(CC)COC(C)CO 7a_100000210273_100012180447 [0,1,0,0,0,0|2,0,1]=4 607 B12R0.216 CCCCC(CC)CSC(C)CO 62a_100012180447_100000211942 [0,1,0,0,0,0|2,0,1]=4 608 B12R0.216 CCCCC(CC)CSC(C)OC 62a_100000211942_100009879195 [0,1,0,0,0,0|2,0,1]=4 609 B12R0.216 CCCCC(CC)CSC(C)OC 62a_100009879195_100000211942 [0,1,0,0,0,0|2,0,1]=4 610 B12R0.216 CCCCC(CC)CS[C@H](C)CO 62a_100000211942_100016084084 [0,1,0,0,0,0|2,0,1]=4 611 B12R0.216 CCCCC(CC)CS[C@H](C)CO 62a_100016084084_100000211942 [0,1,0,0,0,0|2,0,1]=4 612 B12R0.216 CCCCC(CC)NCC(=O)NC 270004a_100000693194_100000753412 [0,1,0,0,0,0|2,0,0]=3 613 B12R0.216 CCCCC(CC)NCC(C)CO 34a_100000744482_200011216223 [0,1,0,0,0,0|2,0,1]=4 614 B12R0.216 CCCCC(CC)NCC(O)CC 270004a_100011218483_100000753412 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.216 CCCCC(CC)NC[C@@H](C)OC 270004a_100020591295_100000753412 [0,1,0,0,0,0|2,0,1]=4 616 B12R0.216 CCCCC(CC)NC[C@@H](F)CO 270004a_100015665980_100000753412 [0,1,0,0,0,0|2,0,1]=4 617 B12R0.216 CCCCC(CC)NC[C@@H](F)CO 34a_100015665980_200011216223 [0,1,0,0,0,0|2,0,1]=4 618 B12R0.216 CCCCC(CC)OCC(=O)CC 34a_100000725409_200011216223 [0,1,0,0,0,0|2,0,0]=3 619 B12R0.216 CCCCC(CC)OCC(=O)CC 7a_100011215227_100000747405 [0,1,0,0,0,0|2,0,0]=3 620 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100000750040_200011216223 [0,1,0,0,0,0|2,0,0]=3 621 B12R0.216 CCCCC(CC)OCC(=O)NC 34a_100011215227_100000183359 [0,1,0,0,0,0|2,0,0]=3 622 B12R0.216 CCCCC(CC)OCC(=O)NC 7a_100011215227_100000183359 [0,1,0,0,0,0|2,0,0]=3 623 B12R0.216 CCCCC(CC)OCC(=O)OC 34a_100011215227_100000747449 [0,1,0,0,0,0|1,0,0]=2 624 B12R0.216 CCCCC(CC)OCC(=O)OC 7a_100011215227_100000747449 [0,1,0,0,0,0|1,0,0]=2 625 B12R0.216 CCCCC(CC)OCC(C)OC 34a_100000690652_200011216223 [0,1,0,0,0,0|2,0,1]=4 626 B12R0.216 CCCCC(CC)OCC(O)CC 34a_100011215227_100011218378 [0,1,0,0,0,0|2,0,1]=4 627 B12R0.216 CCCCC(CC)OCC(O)CC 7a_100011215227_100011218378 [0,1,0,0,0,0|2,0,1]=4 628 B12R0.216 CCCCC(CC)OCC(O)CO 34a_100011215227_100011219619 [0,1,0,0,0,0|1,0,2]=4 629 B12R0.216 CCCCC(CC)OCC(O)CO 7a_100011215227_100011219619 [0,1,0,0,0,0|1,0,2]=4 630 B12R0.216 CCCCC(CC)OC[C@@H](C)CO 34a_100011215227_100000059175 [0,1,0,0,0,0|2,0,1]=4 631 B12R0.216 CCCCC(CC)OC[C@@H](C)CO 7a_100011215227_100000059175 [0,1,0,0,0,0|2,0,1]=4 632 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 34a_100011215227_100015614560 [0,1,0,0,0,0|2,0,1]=4 633 B12R0.216 CCCCC(CC)OC[C@@H](O)CF 7a_100011215227_100015614560 [0,1,0,0,0,0|2,0,1]=4 634 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 34a_100011215227_100009815848 [0,1,0,0,0,0|1,0,2]=4 635 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 7a_100011215227_100009815848 [0,1,0,0,0,0|1,0,2]=4 636 B12R0.216 CCCCC(CC)SCC(=O)CC 62a_100000747405_200011216223 [0,1,0,0,0,0|2,0,0]=3 637 B12R0.216 CCCCC(CC)SCC(=O)CC 62a_200011216223_100000747405 [0,1,0,0,0,0|2,0,0]=3 638 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_100000183359_200011216223 [0,1,0,0,0,0|2,0,0]=3 639 B12R0.216 CCCCC(CC)SCC(=O)NC 62a_200011216223_100000183359 [0,1,0,0,0,0|2,0,0]=3 640 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_100000747449_200011216223 [0,1,0,0,0,0|1,0,0]=2 641 B12R0.216 CCCCC(CC)SCC(=O)OC 62a_200011216223_100000747449 [0,1,0,0,0,0|1,0,0]=2 642 B12R0.216 CCCCC(CC)SCC(O)CC 62a_100011218378_200011216223 [0,1,0,0,0,0|2,0,1]=4 643 B12R0.216 CCCCC(CC)SCC(O)CC 62a_200011216223_100011218378 [0,1,0,0,0,0|2,0,1]=4 644 B12R0.216 CCCCC(CC)SCC(O)CO 62a_100011219619_200011216223 [0,1,0,0,0,0|1,0,2]=4 645 B12R0.216 CCCCC(CC)SCC(O)CO 62a_200011216223_100011219619 [0,1,0,0,0,0|1,0,2]=4 646 B12R0.216 CCCCC(CC)SC[C@@H](C)CO 62a_100000059175_200011216223 [0,1,0,0,0,0|2,0,1]=4 647 B12R0.216 CCCCC(CC)SC[C@@H](C)CO 62a_200011216223_100000059175 [0,1,0,0,0,0|2,0,1]=4 648 B12R0.216 CCCCC(CC)SC[C@@H](O)CF 62a_100015614560_200011216223 [0,1,0,0,0,0|2,0,1]=4 649 B12R0.216 CCCCC(CC)SC[C@@H](O)CF 62a_200011216223_100015614560 [0,1,0,0,0,0|2,0,1]=4 650 B12R0.216 CCCCC(CC)SC[C@@H](O)CO 62a_100009815848_200011216223 [0,1,0,0,0,0|1,0,2]=4 651 B12R0.216 CCCCC(CC)SC[C@@H](O)CO 62a_200011216223_100009815848 [0,1,0,0,0,0|1,0,2]=4 652 B12R0.216 CCCCN(CC)CCC(=O)NC 2230a_100000207695_100000737683 [0,1,0,0,0,0|2,0,0]=3 653 B12R0.216 CCCCN(CC)CCC(=O)NC 269982a_100000207695_100000737683 [0,1,0,0,0,0|2,0,0]=3 654 B12R0.216 CCCCN(CC)CCC(=O)OC 2230a_100000207695_100000204255 [0,1,0,0,0,0|1,0,0]=2 655 B12R0.216 CCCCN(CC)CCC(=O)OC 2230a_100000229097_100000210211 [0,1,0,0,0,0|1,0,0]=2 656 B12R0.216 CCCCN(CC)CCC(=O)OC 269982a_100000207695_100000204255 [0,1,0,0,0,0|1,0,0]=2 657 B12R0.216 CCCCN(CC)CCC(=O)OC 269982a_100000229097_100000210211 [0,1,0,0,0,0|1,0,0]=2 658 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 2230a_100011934283_100000183359 [0,1,0,0,0,0|3,0,0]=4 659 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC 34a_100011934283_100000183359 [0,1,0,0,0,0|3,0,0]=4 660 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 2230a_100011934283_100000747449 [0,1,0,0,0,0|2,0,0]=3 661 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC 34a_100011934283_100000747449 [0,1,0,0,0,0|2,0,0]=3 662 B12R0.216 CCN(CCC#N)CCC(=O)OC 2230a_100000226048_100000204255 [0,1,0,0,0,0|2,0,1]=4 663 B12R0.216 CCN(CCC#N)CCC(=O)OC 2230a_100000229097_100011215226 [0,1,0,0,0,0|2,0,1]=4 664 B12R0.216 CCN(CCC#N)CCC(=O)OC 269982a_100000229097_100011215226 [0,1,0,0,0,0|2,0,1]=4 665 B12R0.216 CCN(CCCF)CCC(=O)OC 2230a_100000229097_100011934791 [0,1,0,0,0,0|2,0,0]=3 666 B12R0.216 CCN(CCCF)CCC(=O)OC 269982a_100000229097_100011934791 [0,1,0,0,0,0|2,0,0]=3 667 B12R0.216 CCN(CCCO)CCC(=O)OC 2230a_100000229097_100000230001 [0,1,0,0,0,0|2,0,0]=3 668 B12R0.216 CCN(CCCO)CCC(=O)OC 269982a_100000229097_100011215043 [0,1,0,0,0,0|2,0,0]=3 669 B12R0.216 CCN(CCOC)CCC(=O)NC 2230a_100000731262_100000737683 [0,1,0,0,0,0|3,0,0]=4 670 B12R0.216 CCN(CCOC)CCC(=O)NC 269982a_100000731262_100000737683 [0,1,0,0,0,0|3,0,0]=4 671 B12R0.216 CCN(CCOC)CCC(=O)OC 2230a_100000229097_100011201679 [0,1,0,0,0,0|2,0,0]=3 672 B12R0.216 CCN(CCOC)CCC(=O)OC 2230a_100000731262_100000204255 [0,1,0,0,0,0|2,0,0]=3 673 B12R0.216 CCN(CCOC)CCC(=O)OC 269982a_100000229097_100000233755 [0,1,0,0,0,0|2,0,0]=3 674 B12R0.216 CCN(CCOC)CCC(=O)OC 269982a_100000731262_100000204255 [0,1,0,0,0,0|2,0,0]=3 675 B12R0.216 CCN(CCSC)CCC(=O)OC 2230a_100000229097_100000751147 [0,1,0,0,0,0|2,0,0]=3 676 B12R0.216 CCN(CCSC)CCC(=O)OC 269982a_100000229097_100000212216 [0,1,0,0,0,0|2,0,0]=3 677 B12R0.216 CCNN=C(CC)CCC(=O)OC 4a_100000756455_200011517666 [0,1,0,0,0,0|2,0,1]=4 678 B12R0.216 CCOCC(CN)OCC(=O)OC 34a_102515437182_100000747449 [0,1,0,0,0,0|3,0,0]=4 679 B12R0.216 CCOCN(CC)CCC(=O)OC 269982a_100000229097_100000739092 [0,1,0,0,0,0|2,0,0]=3 680 B12R0.216 COC(=O)CN[C@H](CO)CCSC 2230a_100011827619_100000747449 [0,1,0,0,0,0|3,0,0]=4 681 B12R0.245 C=C(C)C(=O)CC(CC)CCCC 1458a_100000185857_100000211942 [0,1,0,0,0,0|2,0,1]=4 682 B12R0.245 CCCCC(CC)CC(=O)C(O)O 1458a_100000233687_100000211942 [0,1,0,0,0,0|0,0,3]=4 683 B12R0.245 CCCCC(CC)CC(=O)[C@@H](C)O 1458a_100000717761_100000211942 [0,1,0,0,0,0|1,0,2]=4 684 B12R0.245 CCCCC(CC)CC(=O)[C@H](C)O 1458a_217856618621_100000211942 [0,1,0,0,0,0|1,0,2]=4 685 B12R0.245 CCCCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_200011216223 [0,1,0,0,0,0|1,0,0]=2 686 B12R0.245 CCCCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000753412 [0,1,0,0,0,0|2,0,0]=3 687 B12R0.245 CCCCC(CC)N[C@H](C)C(=O)N 34a_100000119354_200011216223 [0,1,0,0,0,0|2,0,0]=3 688 B12R0.245 CCCCC(CC)OC(C)C(=O)C 34a_100000212229_200011216223 [0,1,0,0,0,0|2,0,0]=3 689 B12R0.245 CCCCC(CC)OC(C)C(=O)C 7a_100011215227_100000179758 [0,1,0,0,0,0|2,0,0]=3 690 B12R0.245 CCCCC(CC)OC(C)C(=O)N 34a_100011215227_100000702099 [0,1,0,0,0,0|2,0,0]=3 691 B12R0.245 CCCCC(CC)OC(C)C(=O)N 7a_100011215227_100000702099 [0,1,0,0,0,0|2,0,0]=3 692 B12R0.245 CCCCC(CC)OC(F)C(=O)N 34a_100011215227_100009813875 [0,1,0,0,0,0|2,0,0]=3 693 B12R0.245 CCCCC(CC)OC(F)C(=O)N 7a_100011215227_100009813875 [0,1,0,0,0,0|2,0,0]=3 694 B12R0.245 CCCCC(CC)OC(F)C(=O)[O-] 34a_100011215227_100020610796 [0,1,0,0,0,0|1,0,1]=3 695 B12R0.245 CCCCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011216223 [0,1,0,0,0,0|1,0,1]=3 696 B12R0.245 CCCCC(CC)O[C@H](C)C(=O)N 34a_100000731257_200011216223 [0,1,0,0,0,0|2,0,0]=3 697 B12R0.245 CCCCC(CC)O[C@H](C)C(=O)N 7a_100000731257_200011216223 [0,1,0,0,0,0|2,0,0]=3 698 B12R0.245 CCCCC(CC)SC(C)C(=O)C 62a_100009814033_200011216223 [0,1,0,0,0,0|2,0,0]=3 699 B12R0.245 CCCCC(CC)SC(C)C(=O)C 62a_200011216223_100009814033 [0,1,0,0,0,0|2,0,0]=3 700 B12R0.245 CCCCC(CC)SC(C)C(=O)N 62a_100000702099_200011216223 [0,1,0,0,0,0|2,0,0]=3 701 B12R0.245 CCCCC(CC)SC(C)C(=O)N 62a_200011216223_100000702099 [0,1,0,0,0,0|2,0,0]=3 702 B12R0.245 CCCCC(CC)SC(F)C(=O)N 62a_100009813875_200011216223 [0,1,0,0,0,0|2,0,0]=3 703 B12R0.245 CCCCC(CC)SC(F)C(=O)N 62a_200011216223_100009813875 [0,1,0,0,0,0|2,0,0]=3 704 B12R0.245 CCCCC(CC)SC(F)C(=O)[O-] 62a_100020610796_200011216223 [0,1,0,0,0,0|1,0,1]=3 705 B12R0.245 CCCCC(CC)SC(F)C(=O)[O-] 62a_200011216223_100020610796 [0,1,0,0,0,0|1,0,1]=3 706 B12R0.245 CCCCN(CC)CC(=O)C(=O)C 269982a_100000207695_100011261029 [0,1,0,0,0,0|2,0,1]=4 707 B12R0.245 CCCC[C@@H](CO)NC(C)C(=O)C 2230a_100011934283_100009814033 [0,1,0,0,0,0|3,0,0]=4 708 B12R0.245 CCCC[C@@H](CO)NC(C)C(=O)N 2230a_100011934283_100000702099 [0,1,0,0,0,0|3,0,0]=4 709 B12R0.245 CCCC[C@@H](CO)NC(C)C(=O)N 34a_100011934283_100000702099 [0,1,0,0,0,0|3,0,0]=4 710 B12R0.245 CCCC[C@@H](CO)NC(F)C(=O)N 2230a_100011934283_100009813875 [0,1,0,0,0,0|3,0,0]=4 711 B12R0.245 CCCC[C@@H](CO)NC(F)C(=O)N 34a_100011934283_100009813875 [0,1,0,0,0,0|3,0,0]=4 712 B12R0.245 CCCC[C@@H](CO)NC(F)C(=O)[O-] 34a_100011934283_100020610796 [0,1,0,0,0,0|2,0,1]=4 713 B12R0.359 C=C(C)COC(C)(CC)CCCC 7a_200011218725_100000748629 [0,1,0,0,0,0|3,0,0]=4 714 B12R0.359 C=C(F)COC(C)(CC)CCCC 7a_200011218725_100000042424 [0,1,0,0,0,0|3,0,0]=4 715 B12R0.359 CCC(O)(CCCO)CNC(=O)C 240690a_100015186943_100015343762 [0,1,0,0,0,0|3,0,0]=4 716 B12R0.359 CCC(O)(CCCO)CNC(=O)C 527a_100015186943_100103153847 [0,1,0,0,0,0|3,0,0]=4 717 B12R0.359 CCCCC(C)(CC)OCC(=O)N 7a_200011218725_100000187820 [0,1,0,0,0,0|2,0,0]=3 718 B12R0.359 CCCCC(C)(CC)OCC(C)O 7a_200011218725_100011218427 [0,1,0,0,0,0|2,0,1]=4 719 B12R0.359 CCCCC(C)(CC)OC[C@@H](C)O 7a_200011218725_100009817552 [0,1,0,0,0,0|2,0,1]=4 720 B12R0.540 C=C(C)CCN(CC)CCC(=O)N 2230a_100020645749_100000730704 [0,1,0,0,0,0|2,0,1]=4 721 B12R0.540 C=C(C)CCN(CC)CCC(C)C 2230a_100000207693_100000730704 [0,1,0,0,0,0|3,0,0]=4 722 B12R0.540 C=C(C)CCN(CC)CCC(C)C 269982a_100000207693_100000730704 [0,1,0,0,0,0|3,0,0]=4 723 B12R0.540 C=C(C)COC(CC)CCC(C)C 34a_100011216567_100000748629 [0,1,0,0,0,0|3,0,0]=4 724 B12R0.540 C=C(C)COC(CC)CCC(C)C 7a_100011216567_100000748629 [0,1,0,0,0,0|3,0,0]=4 725 B12R0.540 C=C(F)COC(CC)CCC(C)C 34a_100011216567_100009893438 [0,1,0,0,0,0|3,0,0]=4 726 B12R0.540 C=C(F)COC(CC)CCC(C)C 7a_100011216567_100000042424 [0,1,0,0,0,0|3,0,0]=4 727 B12R0.540 CCC(CCC(C)C)OCC(=O)N 34a_100011216567_100000187820 [0,1,0,0,0,0|2,0,0]=3 728 B12R0.540 CCC(CCC(C)C)OCC(=O)N 7a_100011216567_100000187820 [0,1,0,0,0,0|2,0,0]=3 729 B12R0.540 CCC(CCC(C)C)OCC(=O)[O-] 34a_100011216567_100020667443 [0,1,0,0,0,0|1,0,1]=3 730 B12R0.540 CCC(CCC(C)C)OCC(C)O 34a_100011216567_100011218427 [0,1,0,0,0,0|2,0,1]=4 731 B12R0.540 CCC(CCC(C)C)OCC(C)O 7a_100011216567_100011218427 [0,1,0,0,0,0|2,0,1]=4 732 B12R0.540 CCC(CCC(C)C)OC[C@@H](C)O 34a_100011216567_100009817552 [0,1,0,0,0,0|2,0,1]=4 733 B12R0.540 CCC(CCC(C)C)OC[C@@H](C)O 7a_100011216567_100009817552 [0,1,0,0,0,0|2,0,1]=4 734 B12R0.540 CCC(CCC(C)C)OC[N+](=O)[O-] 34a_100011216567_100000761209 [0,1,0,0,0,0|2,0,1]=4 735 B12R0.540 CCN(CCC(=O)C)CCC(C)C 269982a_100000207693_100000053229 [0,1,0,0,0,0|2,0,0]=3 736 B12R0.540 CCN(CCC(=O)C)CCN(C)C 269982a_100000225870_100000053229 [0,1,0,0,0,0|3,0,0]=4 737 B12R0.540 CCN(CCC(=O)N)CCC(C)C 2230a_100000207693_100000744528 [0,1,0,0,0,0|2,0,0]=3 738 B12R0.540 CCN(CCC(=O)N)CCC(C)C 2230a_100020645749_100000210312 [0,1,0,0,0,0|2,0,0]=3 739 B12R0.540 CCN(CCC(=O)N)CCC(C)C 269982a_100000207693_100000744528 [0,1,0,0,0,0|2,0,0]=3 740 B12R0.540 CCN(CCC(=O)N)CCC(C)O 2230a_100020645749_100012276601 [0,1,0,0,0,0|2,0,0]=3 741 B12R0.540 CCN(CCC(=O)N)CCN(C)C 269982a_100000225870_100000744528 [0,1,0,0,0,0|3,0,0]=4 742 B12R0.540 CCN(CCC(=O)N)COC(C)C 2230a_100020645749_100000709892 [0,1,0,0,0,0|3,0,0]=4 743 B12R0.540 CCN(CCC(C)C)CCC(C)O 2230a_100000207693_100012276601 [0,1,0,0,0,0|2,0,1]=4 744 B12R0.540 CCN(CCC(C)C)CCC(C)O 269982a_100000207693_100012276601 [0,1,0,0,0,0|2,0,1]=4 745 B12R0.540 CCN(CCC(C)C)COC(=O)C 269982a_100000207693_100000076356 [0,1,0,0,0,0|3,0,0]=4 746 B12R0.608 CCCCC(CC)CNS(=O)(=O)C 40a_100000209976_100000738038 [0,1,0,0,0,0|2,0,1]=4 747 B12R0.608 CCCCC(CC)NCC(C)(C)O 270004a_100000751335_100000753412 [0,1,0,0,0,0|2,0,1]=4 748 B12R0.608 CCCCC(CC)OCC(C)(C)O 34a_100011215227_100000764493 [0,1,0,0,0,0|2,0,1]=4 749 B12R0.608 CCCCC(CC)OCC(C)(C)O 7a_100011215227_100000764493 [0,1,0,0,0,0|2,0,1]=4 750 B12R0.608 CCCCC(CC)OCS(=O)(=O)[O-] 34a_100011215227_100009817235 [0,1,0,0,0,0|2,0,1]=4 751 B12R0.608 CCCCC(CC)SCC(C)(C)O 62a_100000764493_200011216223 [0,1,0,0,0,0|2,0,1]=4 752 B12R0.608 CCCCC(CC)SCC(C)(C)O 62a_200011216223_100000764493 [0,1,0,0,0,0|2,0,1]=4 753 B12R0.608 CCCCC(CC)SCS(=O)(=O)N 62a_100000741382_200011216223 [0,1,0,0,0,0|2,0,1]=4 754 B12R0.608 CCCCC(CC)SCS(=O)(=O)N 62a_200011216223_100000741382 [0,1,0,0,0,0|2,0,1]=4 755 B12R0.608 CCCCC(CC)SCS(=O)(=O)[O-] 62a_100009817235_200011216223 [0,1,0,0,0,0|2,0,1]=4 756 B12R0.608 CCCCC(CC)SCS(=O)(=O)[O-] 62a_200011216223_100009817235 [0,1,0,0,0,0|2,0,1]=4 757 B12R0.608 CCCCN(CC)CCC(C)(C)O 2230a_100000207695_100000702414 [0,1,0,0,0,0|2,0,1]=4 758 B12R0.608 CCCCN(CC)CCS(=O)(=O)C 2230a_100000207695_100000731031 [0,1,0,0,0,0|2,0,1]=4 759 B12R0.608 CCCCN(CC)CCS(=O)(=O)C 269982a_100000207695_100000731031 [0,1,0,0,0,0|2,0,1]=4 760 B12R0.608 CCCCN(CC)CCS(=O)(=O)[O-] 2230a_100000207695_100000737633 [0,1,0,0,0,0|2,0,1]=4 761 B12R1.21 C=C(C)CCN1CCC(CC1)C 2230a_100000188429_100000730704 [0,0,0,1,0,0|3,0,0]=4 762 B12R1.21 C=C(C)CCN1CCC(CC1)C 269982a_100000188429_100000730704 [0,0,0,1,0,0|3,0,0]=4 763 B12R1.21 C=C(C)CCN1CCC(CC1)C 34a_100000188429_100000730704 [0,0,0,1,0,0|3,0,0]=4 764 B12R1.21 C=C(C)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000748629 [0,0,0,1,0,0|3,0,0]=4 765 B12R1.21 C=C(C)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000748629 [0,0,0,1,0,0|3,0,0]=4 766 B12R1.21 C=C(C)COC1CCC(CC1)C 34a_100000210245_200011216234 [0,0,0,1,0,0|3,0,0]=4 767 B12R1.21 C=C(C)COC1CCC(CC1)C 34a_100000210714_100000748629 [0,0,0,1,0,0|3,0,0]=4 768 B12R1.21 C=C(C)COC1CCC(CC1)C 7a_100000210714_100000748629 [0,0,0,1,0,0|3,0,0]=4 769 B12R1.21 C=C(C)CSC1CCC(CC1)C 62a_100000748629_200011216234 [0,0,0,1,0,0|3,0,0]=4 770 B12R1.21 C=C(F)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009893438 [0,0,0,1,0,0|3,0,0]=4 771 B12R1.21 C=C(F)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009893438 [0,0,0,1,0,0|3,0,0]=4 772 B12R1.21 C=C(F)COC1CCC(CC1)C 34a_100000210714_100009893438 [0,0,0,1,0,0|3,0,0]=4 773 B12R1.21 C=C(F)COC1CCC(CC1)C 34a_200010262243_200011216234 [0,0,0,1,0,0|3,0,0]=4 774 B12R1.21 C=C(F)COC1CCC(CC1)C 7a_100000210714_100000042424 [0,0,0,1,0,0|3,0,0]=4 775 B12R1.21 C=C(F)CSC1CCC(CC1)C 62a_100000042424_200011216234 [0,0,0,1,0,0|3,0,0]=4 776 B12R1.21 CC(=O)CCN1CCC(CC1)C 1458a_100000740328_200000210301 [0,0,0,1,0,0|2,0,0]=3 777 B12R1.21 CC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000053229 [0,0,0,1,0,0|2,0,0]=3 778 B12R1.21 CC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000053229 [0,0,0,1,0,0|3,0,0]=4 779 B12R1.21 CC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000053229 [0,0,0,1,0,0|3,0,0]=4 780 B12R1.21 CC(=O)CCN1CCN(CC1)C 1458a_100000070787_100000694902 [0,0,0,1,0,0|3,0,0]=4 781 B12R1.21 CC(=O)CCN1CCN(CC1)C 1458a_100020627268_200000210301 [0,0,0,1,0,0|3,0,0]=4 782 B12R1.21 CC(=O)CCN1CCN(CC1)C 269982a_100000188432_100000053229 [0,0,0,1,0,0|3,0,0]=4 783 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,0,0,1,0,0|2,0,0]=3 784 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,0,0,1,0,0|2,0,0]=3 785 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,0,0,1,0,0|2,0,0]=3 786 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,0,0,1,0,0|2,0,0]=3 787 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,0,0,1,0,0|2,0,0]=3 788 B12R1.21 CC(=O)NCC1CCN(CC1)C 2230a_100011206997_200000210301 [0,0,0,1,0,0|3,0,0]=4 789 B12R1.21 CC(=O)NCC1CCN(CC1)C 240690a_100000746316_100015343762 [0,0,0,1,0,0|3,0,0]=4 790 B12R1.21 CC(=O)NCC1CCN(CC1)C 269982a_100011206997_200000210301 [0,0,0,1,0,0|3,0,0]=4 791 B12R1.21 CC(=O)NCC1CCN(CC1)C 34a_100011206997_200000210301 [0,0,0,1,0,0|3,0,0]=4 792 B12R1.21 CC(=O)NCC1CCN(CC1)C 527a_100000746316_100103153847 [0,0,0,1,0,0|3,0,0]=4 793 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 2230a_100011206997_200025704644 [0,0,0,1,0,0|3,0,0]=4 794 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 269982a_100011206997_200025704644 [0,0,0,1,0,0|3,0,0]=4 795 B12R1.21 CC(=O)NCC1CCN(CC1)[13CH3] 34a_100011206997_200025704644 [0,0,0,1,0,0|3,0,0]=4 796 B12R1.21 CC(=O)OCC1CCN(CC1)C 2230a_100025751628_200000210301 [0,0,0,1,0,0|3,0,0]=4 797 B12R1.21 CC(=O)OCC1CCN(CC1)C 269982a_100025751628_200000210301 [0,0,0,1,0,0|3,0,0]=4 798 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 2230a_100025751628_200025704644 [0,0,0,1,0,0|3,0,0]=4 799 B12R1.21 CC(=O)OCC1CCN(CC1)[13CH3] 269982a_100025751628_200025704644 [0,0,0,1,0,0|3,0,0]=4 800 B12R1.21 CC(=O)OCN1CCC(CC1)C 269982a_100000188429_100000076356 [0,0,0,1,0,0|3,0,0]=4 801 B12R1.21 CC(=O)OCN1CCC(CC1)C 34a_100000188429_100009813279 [0,0,0,1,0,0|3,0,0]=4 802 B12R1.21 CC(O)CCN1CCC(CC1)C 2230a_100000188429_100012276601 [0,0,0,1,0,0|2,0,1]=4 803 B12R1.21 CC(O)CCN1CCC(CC1)C 269982a_100000188429_100012276601 [0,0,0,1,0,0|2,0,1]=4 804 B12R1.21 CC(O)CCN1CCC(CC1)C 34a_100000188429_100012276601 [0,0,0,1,0,0|2,0,1]=4 805 B12R1.21 CC(O)CNC1CCC(CC1)C 270004a_100000210904_100000185489 [0,0,0,1,0,0|2,0,1]=4 806 B12R1.21 CC(O)CNC1CCC(CC1)C 34a_100000210904_200011216234 [0,0,0,1,0,0|2,0,1]=4 807 B12R1.21 CC(O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100011218427 [0,0,0,1,0,0|2,0,1]=4 808 B12R1.21 CC(O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100011218427 [0,0,0,1,0,0|2,0,1]=4 809 B12R1.21 CC(O)COC1CCC(CC1)C 34a_100000210714_100011218427 [0,0,0,1,0,0|2,0,1]=4 810 B12R1.21 CC(O)COC1CCC(CC1)C 7a_100000210714_100011218427 [0,0,0,1,0,0|2,0,1]=4 811 B12R1.21 CC(O)CSC1CCC(CC1)C 62a_100011218427_200011216234 [0,0,0,1,0,0|2,0,1]=4 812 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [0,0,0,1,0,0|1,0,0]=2 813 B12R1.21 CC1CCC(CC1)OCC(=O)N 34a_100000210714_100000187820 [0,0,0,1,0,0|2,0,0]=3 814 B12R1.21 CC1CCC(CC1)OCC(=O)N 7a_100000210714_100000187820 [0,0,0,1,0,0|2,0,0]=3 815 B12R1.21 CC1CCC(CC1)OCC(=O)[O-] 34a_100000210714_100020667443 [0,0,0,1,0,0|1,0,1]=3 816 B12R1.21 CC1CCC(CC1)OC[C@@H](C)O 34a_100000210714_100009817552 [0,0,0,1,0,0|2,0,1]=4 817 B12R1.21 CC1CCC(CC1)OC[C@@H](C)O 7a_100000210714_100009817552 [0,0,0,1,0,0|2,0,1]=4 818 B12R1.21 CC1CCC(CC1)OC[N+](=O)[O-] 34a_100000210714_100000761209 [0,0,0,1,0,0|2,0,1]=4 819 B12R1.21 CC1CCC(CC1)SCC(=O)N 62a_100000747473_200011216234 [0,0,0,1,0,0|2,0,0]=3 820 B12R1.21 CC1CCC(CC1)SCC(=O)[O-] 62a_100020667443_200011216234 [0,0,0,1,0,0|1,0,1]=3 821 B12R1.21 CC1CCC(CC1)SC[C@@H](C)O 62a_100009817552_200011216234 [0,0,0,1,0,0|2,0,1]=4 822 B12R1.21 CC1CCN(CC1)CCC(=O)N 2230a_100000188429_100000744528 [0,0,0,1,0,0|2,0,0]=3 823 B12R1.21 CC1CCN(CC1)CCC(=O)N 269982a_100000188429_100000744528 [0,0,0,1,0,0|2,0,0]=3 824 B12R1.21 CC1CCN(CC1)CCC(=O)N 34a_100000188429_100000731001 [0,0,0,1,0,0|2,0,0]=3 825 B12R1.21 CC1CCN(CC1)CCC(=O)[13CH3] 1458a_100000740328_200025704644 [0,0,0,1,0,0|2,0,0]=3 826 B12R1.21 CN1CCC(CC1)CCC(=O)N 2230a_100015183425_200000210301 [0,0,0,1,0,0|2,0,0]=3 827 B12R1.21 CN1CCC(CC1)CCC(=O)N 34a_100015183425_200000210301 [0,0,0,1,0,0|2,0,0]=3 828 B12R1.21 CN1CCC(CC1)NCC(=O)O 269956a_100016091260_100011215917 [0,0,0,1,0,0|2,0,0]=3 829 B12R1.21 CN1CCC(CC1)OCC(=O)N 2230a_100000765839_200000210301 [0,0,0,1,0,0|3,0,0]=4 830 B12R1.21 CN1CCC(CC1)OCC(=O)N 269982a_100000765839_200000210301 [0,0,0,1,0,0|3,0,0]=4 831 B12R1.21 CN1CCC(CC1)OCC(=O)N 34a_100000765839_200000210301 [0,0,0,1,0,0|3,0,0]=4 832 B12R1.21 CN1CCC(CC1)SCC(=O)N 62a_100000747473_100011215917 [0,0,0,1,0,0|3,0,0]=4 833 B12R1.21 CN1CCC(CC1)SCC(=O)[O-] 62a_100020667443_100011215917 [0,0,0,1,0,0|2,0,1]=4 834 B12R1.21 CN1CCN(CC1)CCC(=O)N 2230a_100000188432_100000744528 [0,0,0,1,0,0|3,0,0]=4 835 B12R1.21 CN1CCN(CC1)CCC(=O)N 2230a_114929131469_200000210301 [0,0,0,1,0,0|3,0,0]=4 836 B12R1.21 CN1CCN(CC1)CCC(=O)N 269982a_100000188432_100000744528 [0,0,0,1,0,0|3,0,0]=4 837 B12R1.21 CN1CCN(CC1)CCC(=O)N 269982a_114929131469_200000210301 [0,0,0,1,0,0|3,0,0]=4 838 B12R1.21 CN1CCN(CC1)CCC(=O)[13CH3] 1458a_100020627268_200025704644 [0,0,0,1,0,0|3,0,0]=4 839 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009817552 [0,0,0,1,0,0|2,0,1]=4 840 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009817552 [0,0,0,1,0,0|2,0,1]=4 841 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 2230a_100020625639_100000747473 [0,0,0,1,0,0|2,0,0]=3 842 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 34a_100020625639_100000187820 [0,0,0,1,0,0|2,0,0]=3 843 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)[O-] 34a_100020625639_100020667443 [0,0,0,1,0,0|1,0,1]=3 844 B12R1.21 C[C@H]1CC[C@@H](CC1)NC[N+](=O)[O-] 34a_100020625639_100000761209 [0,0,0,1,0,0|2,0,1]=4 845 B12R1.21 NC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000744528 [0,0,0,1,0,0|3,0,0]=4 846 B12R1.21 NC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000744528 [0,0,0,1,0,0|3,0,0]=4 847 B12R1.21 NC(=O)CCN1CCC(CC1)F 34a_100015193889_100000731001 [0,0,0,1,0,0|3,0,0]=4 848 B12R1.21 NC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000744528 [0,0,0,1,0,0|3,0,0]=4 849 B12R1.21 NC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000744528 [0,0,0,1,0,0|3,0,0]=4 850 B12R1.21 NC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000187820 [0,0,0,1,0,0|3,0,0]=4 851 B12R1.21 N[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020628982_100020667443 [0,0,0,1,0,0|2,0,1]=4 852 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 2230a_100015183425_200025704644 [0,0,0,1,0,0|2,0,0]=3 853 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 34a_100015183425_200025704644 [0,0,0,1,0,0|2,0,0]=3 854 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 2230a_100000765839_200025704644 [0,0,0,1,0,0|3,0,0]=4 855 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 269982a_100000765839_200025704644 [0,0,0,1,0,0|3,0,0]=4 856 B12R1.21 [13CH3]N1CCC(CC1)OCC(=O)N 34a_100000765839_200025704644 [0,0,0,1,0,0|3,0,0]=4 857 B12R1.21 [13CH3]N1CCN(CC1)CCC(=O)N 2230a_114929131469_200025704644 [0,0,0,1,0,0|3,0,0]=4 858 B12R1.21 [13CH3]N1CCN(CC1)CCC(=O)N 269982a_114929131469_200025704644 [0,0,0,1,0,0|3,0,0]=4 859 B12R1.59 CC(=O)CCN1CCC(C1)CO 269982a_100000748654_100000053229 [0,0,0,1,0,0|3,0,0]=4 860 B12R1.59 CC(=O)NC[C@@H]1CC[C@@H](C1)CO 240690a_206354213956_100015343762 [0,0,0,1,0,0|3,0,0]=4 861 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [0,0,0,1,0,0|1,0,0]=2 862 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [0,0,0,1,0,0|1,0,0]=2 863 B12R1.59 CCC1CCC(C1)NCC(C)O 270004a_100000210904_100011218773 [0,0,0,1,0,0|2,0,1]=4 864 B12R1.59 CCN1CCC(C1)CNC(=O)C 11a_100011224064_100015343762 [0,0,0,1,0,0|3,0,0]=4 865 B12R1.59 CCN1CCC(C1)CNC(=O)C 1626a_100011224064_100015343762 [0,0,0,1,0,0|3,0,0]=4 866 B12R1.59 CCN1CCC(C1)CNC(=O)C 240690a_100011224064_100015343762 [0,0,0,1,0,0|3,0,0]=4 867 B12R1.59 CCN1CCC(C1)CNC(=O)C 527a_100011224064_100103153847 [0,0,0,1,0,0|3,0,0]=4 868 B12R1.59 CCN1CCC(C1)COC(=O)C 2230a_100000118262_100000210202 [0,0,0,1,0,0|3,0,0]=4 869 B12R1.59 CCN1CCC(C1)COC(=O)C 269982a_100000118262_100000204670 [0,0,0,1,0,0|3,0,0]=4 870 B12R1.59 CCN1CCC(C1)NCC(=O)N 2230a_100015188829_100000747473 [0,0,0,1,0,0|3,0,0]=4 871 B12R1.59 CCN1CCC(C1)NCC(=O)O 269956a_100016091260_200011861547 [0,0,0,1,0,0|2,0,0]=3 872 B12R1.59 CCN1CCC(C1)SCC(=O)N 62a_100000747473_200011861547 [0,0,0,1,0,0|3,0,0]=4 873 B12R1.59 CCN1CCC(C1)SCC(=O)[O-] 62a_100020667443_200011861547 [0,0,0,1,0,0|2,0,1]=4 874 B12R1.59 CO[C@@H]1CCN(C1)CCC(=O)C 269982a_100000766984_100000053229 [0,0,0,1,0,0|3,0,0]=4 875 B12R1.59 CO[C@@H]1CCN(C1)CCC(=O)N 2230a_100000766984_100000744528 [0,0,0,1,0,0|3,0,0]=4 876 B12R1.59 CO[C@@H]1CCN(C1)CCC(=O)N 269982a_100000766984_100000744528 [0,0,0,1,0,0|3,0,0]=4 877 B12R1.59 NC(=O)CCN1CCC(C1)CO 2230a_100000748654_100000744528 [0,0,0,1,0,0|3,0,0]=4 878 B12R1.59 NC(=O)CCN1CCC(C1)CO 269982a_100000748654_100000744528 [0,0,0,1,0,0|3,0,0]=4 879 B12R1.59 NC(=O)CCN1CCC(C1)CO 34a_100000748654_100000731001 [0,0,0,1,0,0|3,0,0]=4 880 B12R1.69 CCNCC1CCC(=CC1C)C 269862a_100015525214_100000075207 [0,0,0,1,0,0|3,0,0]=4 881 B12R1.70 CCCCN1CCC(CC1)(C)O 2230a_100000690209_100000210211 [0,0,0,1,0,0|2,0,1]=4 882 B12R1.70 CCCCN1CCC(CC1)(C)O 269982a_100000690209_100000210211 [0,0,0,1,0,0|2,0,1]=4 883 B12R1.70 CCCCN1CCC(CC1)(O)O 269982a_100016987284_100000210211 [0,0,0,1,0,0|1,0,2]=4 884 B12R1.70 CCCCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210211 [0,0,0,1,0,0|2,0,1]=4 885 B12R1.70 CCCCN1CCS(=O)(=O)CC1 269982a_100000750940_100000210211 [0,0,0,1,0,0|2,0,1]=4 886 B12R1.70 CCCCN1CCS(=O)(=O)CC1 34a_100000750940_100000210210 [0,0,0,1,0,0|2,0,1]=4 887 B12R1.70 CCCNC1CCC(CC1)(C)O 270004a_100020643023_100012184276 [0,0,0,1,0,0|2,0,1]=4 888 B12R1.70 CCCNC1CCS(=O)(=O)CC1 2230a_100000739226_100000210303 [0,0,0,1,0,0|2,0,1]=4 889 B12R1.70 CCCNC1CCS(=O)(=O)CC1 270004a_100020643023_100000015219 [0,0,0,1,0,0|2,0,1]=4 890 B12R1.70 CCCNC1CCS(=O)(=O)CC1 34a_100000739226_100000210303 [0,0,0,1,0,0|2,0,1]=4 891 B12R1.70 CCCN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_100000210303 [0,0,0,1,0,0|2,0,1]=4 892 B12R1.70 CCCN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_100000210303 [0,0,0,1,0,0|2,0,1]=4 893 B12R1.70 CCCOC1CCS(=O)(=O)CC1 34a_100011349575_100000210303 [0,0,0,1,0,0|2,0,1]=4 894 B12R1.70 CCCOC1CCS(=O)(=O)CC1 7a_100011349575_100000210303 [0,0,0,1,0,0|2,0,1]=4 895 B12R1.70 CCNCC1CCS(=O)(=O)CC1 2230a_100000693208_100000210202 [0,0,0,1,0,0|2,0,1]=4 896 B12R1.70 CCNCC1CCS(=O)(=O)CC1 270004a_100015525214_200011794348 [0,0,0,1,0,0|2,0,1]=4 897 B12R1.70 CCNCC1CCS(=O)(=O)CC1 34a_100000693208_100000210202 [0,0,0,1,0,0|2,0,1]=4 898 B12R1.75 C=C(C)CN1CCCCC1CC 2230a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 899 B12R1.75 C=C(C)CN1CCCCC1CC 269982a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 900 B12R1.75 C=C(C)CN1CCCCC1CC 34a_100000210034_100000748629 [0,0,0,1,0,0|3,0,0]=4 901 B12R1.75 C=C(F)CN1CCCCC1CC 2230a_100000210034_100009893438 [0,0,0,1,0,0|3,0,0]=4 902 B12R1.75 C=C(F)CN1CCCCC1CC 269982a_100000210034_100009893438 [0,0,0,1,0,0|3,0,0]=4 903 B12R1.75 C=C(F)CN1CCCCC1CC 34a_100000210034_100009893438 [0,0,0,1,0,0|3,0,0]=4 904 B12R1.75 CCC1CCCCN1CC(=O)N 2230a_100000210034_100000747473 [0,0,0,1,0,0|2,0,0]=3 905 B12R1.75 CCC1CCCCN1CC(=O)N 269982a_100000210034_100000187820 [0,0,0,1,0,0|2,0,0]=3 906 B12R1.75 CCC1CCCCN1CC(=O)N 34a_100000210034_100000187820 [0,0,0,1,0,0|2,0,0]=3 907 B12R1.75 CCC1CCCCN1CC(=O)[O-] 269982a_100000210034_100020667443 [0,0,0,1,0,0|1,0,1]=3 908 B12R1.75 CCC1CCCCN1CC(=O)[O-] 34a_100000210034_100020667443 [0,0,0,1,0,0|1,0,1]=3 909 B12R1.75 CCC1CCCCN1CC(C)O 2230a_100000210034_100011218427 [0,0,0,1,0,0|2,0,1]=4 910 B12R1.75 CCC1CCCCN1CC(C)O 269982a_100000210034_100011218427 [0,0,0,1,0,0|2,0,1]=4 911 B12R1.75 CCC1CCCCN1CC(C)O 34a_100000210034_100011218427 [0,0,0,1,0,0|2,0,1]=4 912 B12R1.75 CCC1CCCCN1C[C@@H](C)O 2230a_100000210034_100009817552 [0,0,0,1,0,0|2,0,1]=4 913 B12R1.75 CCC1CCCCN1C[C@@H](C)O 269982a_100000210034_100009817552 [0,0,0,1,0,0|2,0,1]=4 914 B12R1.75 CCC1CCCCN1C[C@@H](C)O 34a_100000210034_100009817552 [0,0,0,1,0,0|2,0,1]=4 915 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 269982a_100000210034_100000761209 [0,0,0,1,0,0|2,0,1]=4 916 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] 34a_100000210034_100000761209 [0,0,0,1,0,0|2,0,1]=4 917 B12R1.75 CCN1CCCCC1CC(=O)N 2230a_100015184752_100000210202 [0,0,0,1,0,0|2,0,0]=3 918 B12R1.75 CCN1CCCCC1CC(=O)N 269982a_100015184752_100000204670 [0,0,0,1,0,0|2,0,0]=3 919 B12R1.75 CCN1CCCCC1CC(=O)N 34a_100015184752_100000210202 [0,0,0,1,0,0|2,0,0]=3 920 B12R1.75 CC[C@H]1COCCN1CC(=O)N 2230a_100016988097_100000747473 [0,0,0,1,0,0|3,0,0]=4 921 B12R1.75 CC[C@H]1COCCN1CC(=O)N 269982a_100016988097_100000187820 [0,0,0,1,0,0|3,0,0]=4 922 B12R1.75 CC[C@H]1COCCN1CC(=O)N 34a_100016988097_100000187820 [0,0,0,1,0,0|3,0,0]=4 923 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 269982a_100016988097_100020667443 [0,0,0,1,0,0|2,0,1]=4 924 B12R1.75 CC[C@H]1COCCN1CC(=O)[O-] 34a_100016988097_100020667443 [0,0,0,1,0,0|2,0,1]=4 925 B12R1.75 COC1CCCCC1NC(=O)C 11a_100011208099_100015343762 [0,0,0,1,0,0|3,0,0]=4 926 B12R1.75 COC1CCCCC1NC(=O)C 1626a_100011208099_100015343762 [0,0,0,1,0,0|3,0,0]=4 927 B12R1.75 COC1CCCCC1NC(=O)C 240690a_100011208099_100015343762 [0,0,0,1,0,0|3,0,0]=4 928 B12R1.75 COC1CCCCC1NC(=O)C 527a_100011208099_100103153847 [0,0,0,1,0,0|3,0,0]=4 929 B12R1.75 NC(=O)CC1CCCCN1CF 269982a_100015184752_100015361967 [0,0,0,1,0,0|3,0,0]=4 930 B12R1.75 NC(=O)CC1CCCCN1CF 34a_100015184752_100015361967 [0,0,0,1,0,0|3,0,0]=4 931 B12R1.75 NC(=O)CN1CCCCC1CO 2230a_100000210821_100000747473 [0,0,0,1,0,0|3,0,0]=4 932 B12R1.75 NC(=O)CN1CCCCC1CO 269982a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 933 B12R1.75 NC(=O)CN1CCCCC1CO 34a_100000210821_100000187820 [0,0,0,1,0,0|3,0,0]=4 934 B12R1.75 O=C([O-])CN1CCCCC1CO 269982a_100000210821_100020667443 [0,0,0,1,0,0|2,0,1]=4 935 B12R1.75 O=C([O-])CN1CCCCC1CO 34a_100000210821_100020667443 [0,0,0,1,0,0|2,0,1]=4 936 B12R1.125 C=C(C)CCN1CCCCC1C 2230a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 937 B12R1.125 C=C(C)CCN1CCCCC1C 269982a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 938 B12R1.125 C=C(C)CCN1CCCCC1C 34a_100000211376_100000730704 [0,0,0,1,0,0|3,0,0]=4 939 B12R1.125 C=C(C)CNC1CCCCC1C 2230a_100000211402_100000748629 [0,0,0,1,0,0|3,0,0]=4 940 B12R1.125 C=C(C)CNC1CCCCC1C 34a_100000211402_100000748629 [0,0,0,1,0,0|3,0,0]=4 941 B12R1.125 C=C(C)COC1CCCCC1C 34a_100000211207_100000748629 [0,0,0,1,0,0|3,0,0]=4 942 B12R1.125 C=C(C)COC1CCCCC1C 7a_100000211207_100000748629 [0,0,0,1,0,0|3,0,0]=4 943 B12R1.125 C=C(F)CNC1CCCCC1C 2230a_100000211402_100009893438 [0,0,0,1,0,0|3,0,0]=4 944 B12R1.125 C=C(F)CNC1CCCCC1C 34a_100000211402_100009893438 [0,0,0,1,0,0|3,0,0]=4 945 B12R1.125 C=C(F)COC1CCCCC1C 34a_100000211207_100009893438 [0,0,0,1,0,0|3,0,0]=4 946 B12R1.125 C=C(F)COC1CCCCC1C 7a_100000211207_100000042424 [0,0,0,1,0,0|3,0,0]=4 947 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [0,0,0,1,0,0|2,0,0]=3 948 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [0,0,0,1,0,0|2,0,0]=3 949 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [0,0,0,1,0,0|2,0,0]=3 950 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000053229 [0,0,0,1,0,0|3,0,0]=4 951 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [0,0,0,1,0,0|2,0,0]=3 952 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [0,0,0,1,0,0|3,0,0]=4 953 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [0,0,0,1,0,0|3,0,0]=4 954 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [0,0,0,1,0,0|3,0,0]=4 955 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [0,0,0,1,0,0|3,0,0]=4 956 B12R1.125 CC(=O)NCC1CCCCN1C 240690a_100011228421_100015343762 [0,0,0,1,0,0|3,0,0]=4 957 B12R1.125 CC(=O)NCC1CCCCN1C 527a_100011228421_100103153847 [0,0,0,1,0,0|3,0,0]=4 958 B12R1.125 CC(=O)OCN1CCCCC1C 269982a_100000211376_100000076356 [0,0,0,1,0,0|3,0,0]=4 959 B12R1.125 CC(=O)OCN1CCCCC1C 34a_100000211376_100009813279 [0,0,0,1,0,0|3,0,0]=4 960 B12R1.125 CC(O)CCN1CCCCC1C 2230a_100000211376_100012276601 [0,0,0,1,0,0|2,0,1]=4 961 B12R1.125 CC(O)CCN1CCCCC1C 269982a_100000211376_100012276601 [0,0,0,1,0,0|2,0,1]=4 962 B12R1.125 CC(O)CCN1CCCCC1C 34a_100000211376_100012276601 [0,0,0,1,0,0|2,0,1]=4 963 B12R1.125 CC(O)CNC1CCCCC1C 2230a_100000211402_100011218427 [0,0,0,1,0,0|2,0,1]=4 964 B12R1.125 CC(O)CNC1CCCCC1C 269862a_100000210904_100000210921 [0,0,0,1,0,0|2,0,1]=4 965 B12R1.125 CC(O)CNC1CCCCC1C 270004a_100000210904_100000210921 [0,0,0,1,0,0|2,0,1]=4 966 B12R1.125 CC(O)CNC1CCCCC1C 34a_100000211402_100011218427 [0,0,0,1,0,0|2,0,1]=4 967 B12R1.125 CC(O)COC1CCCCC1C 34a_100000211207_100011218427 [0,0,0,1,0,0|2,0,1]=4 968 B12R1.125 CC(O)COC1CCCCC1C 7a_100000211207_100011218427 [0,0,0,1,0,0|2,0,1]=4 969 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [0,0,0,1,0,0|2,0,0]=3 970 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [0,0,0,1,0,0|2,0,0]=3 971 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [0,0,0,1,0,0|1,0,1]=3 972 B12R1.125 CC1CCCCC1NC[C@@H](C)O 2230a_100000211402_100009817552 [0,0,0,1,0,0|2,0,1]=4 973 B12R1.125 CC1CCCCC1NC[C@@H](C)O 34a_100000211402_100009817552 [0,0,0,1,0,0|2,0,1]=4 974 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 34a_100000211402_100000761209 [0,0,0,1,0,0|2,0,1]=4 975 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [0,0,0,1,0,0|2,0,0]=3 976 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [0,0,0,1,0,0|2,0,0]=3 977 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [0,0,0,1,0,0|2,0,0]=3 978 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [0,0,0,1,0,0|1,0,1]=3 979 B12R1.125 CC1CCCCC1OC[C@@H](C)O 34a_100000211207_100009817552 [0,0,0,1,0,0|2,0,1]=4 980 B12R1.125 CC1CCCCC1OC[C@@H](C)O 7a_100000211207_100009817552 [0,0,0,1,0,0|2,0,1]=4 981 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] 34a_100000211207_100000761209 [0,0,0,1,0,0|2,0,1]=4 982 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [0,0,0,1,0,0|2,0,0]=3 983 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [0,0,0,1,0,0|2,0,0]=3 984 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [0,0,0,1,0,0|2,0,0]=3 985 B12R1.125 CC1CCNCC1OCC(=O)N 34a_100000696640_100000187820 [0,0,0,1,0,0|3,0,0]=4 986 B12R1.125 CC1CCNCC1OCC(=O)[O-] 34a_100000696640_100020667443 [0,0,0,1,0,0|2,0,1]=4 987 B12R1.125 CC1CNCCC1OCC(=O)N 34a_100011998114_100000187820 [0,0,0,1,0,0|3,0,0]=4 988 B12R1.125 CC1CNCCC1OCC(=O)[O-] 34a_100011998114_100020667443 [0,0,0,1,0,0|2,0,1]=4 989 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [0,0,0,1,0,0|1,0,0]=2 990 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [0,0,0,1,0,0|2,0,0]=3 991 B12R1.125 C[C@H]1COCCN1CCC(=O)N 2230a_100009815349_100000744528 [0,0,0,1,0,0|3,0,0]=4 992 B12R1.125 C[C@H]1COCCN1CCC(=O)N 269982a_100009815349_100000744528 [0,0,0,1,0,0|3,0,0]=4 993 B12R1.125 C[C@H]1COCCN1CCC(=O)N 34a_100009815349_100000731001 [0,0,0,1,0,0|3,0,0]=4 994 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [0,0,0,1,0,0|3,0,0]=4 995 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [0,0,0,1,0,0|3,0,0]=4 996 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [0,0,0,1,0,0|3,0,0]=4 997 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [0,0,0,1,0,0|3,0,0]=4 998 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [0,0,0,1,0,0|3,0,0]=4 999 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [0,0,0,1,0,0|3,0,0]=4 1000 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [0,0,0,1,0,0|3,0,0]=4 1001 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [0,0,0,1,0,0|3,0,0]=4 1002 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [0,0,0,1,0,0|3,0,0]=4 1003 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [0,0,0,1,0,0|3,0,0]=4 1004 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [0,0,0,1,0,0|3,0,0]=4 1005 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [0,0,0,1,0,0|2,0,1]=4 1006 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [0,0,0,1,0,0|2,0,1]=4 1007 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [0,0,0,1,0,0|2,0,0]=3 1008 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [0,0,0,1,0,0|2,0,0]=3 1009 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [0,0,0,1,0,0|2,0,1]=4 1010 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [0,0,0,1,0,0|2,0,1]=4 1011 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [0,0,0,1,0,0|2,0,1]=4 1012 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [0,0,0,1,0,0|2,0,1]=4 1013 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [0,0,0,1,0,0|2,0,1]=4 1014 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [0,0,0,1,0,0|2,0,1]=4 1015 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [0,0,0,1,0,0|2,0,1]=4 1016 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [0,0,0,1,0,0|1,0,0]=2 1017 B12R1.162 COCC1CCN1CCC(=O)C 269982a_100015195929_100000053229 [0,0,0,1,0,0|3,0,0]=4 1018 B12R1.162 COCC1CCN1CCC(=O)N 2230a_100015195929_100000744528 [0,0,0,1,0,0|3,0,0]=4 1019 B12R1.162 COCC1CCN1CCC(=O)N 269982a_100015195929_100000744528 [0,0,0,1,0,0|3,0,0]=4 1020 B12R1.162 COCC1CCN1CCC(=O)N 34a_100015195929_100000731001 [0,0,0,1,0,0|3,0,0]=4 1021 B12R1.337 C#CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000184674 [0,0,0,1,0,0|1,0,2]=4 1022 B12R1.337 C=CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210623 [0,0,0,1,0,0|1,0,2]=4 1023 B12R1.337 CCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210211 [0,0,0,1,0,0|2,0,0]=3 1024 B12R1.337 CCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210211 [0,0,0,1,0,0|2,0,0]=3 1025 B12R1.337 CCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210210 [0,0,0,1,0,0|2,0,0]=3 1026 B12R1.337 CCCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210303 [0,0,0,1,0,0|3,0,0]=4 1027 B12R1.337 CCCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210207 [0,0,0,1,0,0|1,0,2]=4 1028 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210207 [0,0,0,1,0,0|1,0,0]=2 1029 B12R1.337 CCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210303 [0,0,0,1,0,0|3,0,0]=4 1030 B12R1.337 CCOCN1CCC(C1)C(=O)N 269982a_100000752358_100000739092 [0,0,0,1,0,0|3,0,0]=4 1031 B12R1.337 COCCN1CCC(C1)C(=O)C 1458a_100015187652_200000210301 [0,0,0,1,0,0|3,0,0]=4 1032 B12R1.337 COCCN1CCC(C1)C(=O)N 2230a_100000752358_100011201679 [0,0,0,1,0,0|3,0,0]=4 1033 B12R1.337 COCCN1CCC(C1)C(=O)N 269982a_100000752358_100000233755 [0,0,0,1,0,0|3,0,0]=4 1034 B12R1.337 COCCN1CCC(C1)C(=O)N 34a_100000752358_100011201679 [0,0,0,1,0,0|3,0,0]=4 1035 B12R1.337 COCCN1CCC(C1)C(=O)[13CH3] 1458a_100015187652_200025704644 [0,0,0,1,0,0|3,0,0]=4 1036 B12R1.337 COCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000766300 [0,0,0,1,0,0|2,0,0]=3 1037 B12R1.337 CSCCN1CCC(C1)C(=O)N 2230a_100000752358_100000751147 [0,0,0,1,0,0|3,0,0]=4 1038 B12R1.337 CSCCN1CCC(C1)C(=O)N 269982a_100000752358_100000212216 [0,0,0,1,0,0|3,0,0]=4 1039 B12R1.337 CSCCN1CCC(C1)C(=O)N 34a_100000752358_100000212216 [0,0,0,1,0,0|3,0,0]=4 1040 B12R1.337 CSCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011218213 [0,0,0,1,0,0|2,0,0]=3 1041 B12R1.337 N#CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011215382 [0,0,0,1,0,0|2,0,1]=4 1042 B12R1.337 NC(=O)C1CCN(C1)CCCF 2230a_100000752358_100011934791 [0,0,0,1,0,0|3,0,0]=4 1043 B12R1.337 NC(=O)C1CCN(C1)CCCF 269982a_100000752358_100011934791 [0,0,0,1,0,0|3,0,0]=4 1044 B12R1.337 NC(=O)C1CCN(C1)CCCF 34a_100000752358_100011934791 [0,0,0,1,0,0|3,0,0]=4 1045 B12R1.337 NC(=O)C1CCN(C1)CCCO 2230a_100000752358_100000230001 [0,0,0,1,0,0|3,0,0]=4 1046 B12R1.337 NC(=O)C1CCN(C1)CCCO 269982a_100000752358_100011215043 [0,0,0,1,0,0|3,0,0]=4 1047 B12R1.337 NC(=O)C1CCN(C1)CCCO 34a_100000752358_100000230001 [0,0,0,1,0,0|3,0,0]=4 1048 B12R1.337 O=C(O)[C@@H]1CC[C@@H](C1)NCCF 269956a_100015195206_100011217306 [0,0,0,1,0,0|2,0,0]=3 1049 B12R1.337 O=C(O)[C@@H]1CC[C@@H](C1)NCCO 269956a_100015195206_100000211926 [0,0,0,1,0,0|2,0,0]=3 1050 B12R1.337 O=CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200015260668 [0,0,0,1,0,0|2,0,1]=4 1051 B12R1.348 CCCCN1CCCC(CC1)O 2230a_100015186869_100000210211 [0,0,0,1,0,0|2,0,1]=4 1052 B12R1.348 CCCCN1CCCC(CC1)O 269982a_100015186869_100000210211 [0,0,0,1,0,0|2,0,1]=4 1053 B12R1.348 CCCCN1CCNC(=O)CC1 2230a_100000698595_100000210211 [0,0,0,1,0,0|2,0,0]=3 1054 B12R1.348 CCCCN1CCNC(=O)CC1 269982a_100000698595_100000210211 [0,0,0,1,0,0|2,0,0]=3 1055 B12R1.348 CCOCN1CCNC(=O)CC1 269982a_100000698595_100000739092 [0,0,0,1,0,0|3,0,0]=4 1056 B12R1.348 COCCN1CCNC(=O)CC1 2230a_100000698595_100011201679 [0,0,0,1,0,0|3,0,0]=4 1057 B12R1.348 COCCN1CCNC(=O)CC1 269982a_100000698595_100000233755 [0,0,0,1,0,0|3,0,0]=4 1058 B12R1.348 CSCCN1CCNC(=O)CC1 2230a_100000698595_100000751147 [0,0,0,1,0,0|3,0,0]=4 1059 B12R1.348 CSCCN1CCNC(=O)CC1 269982a_100000698595_100000212216 [0,0,0,1,0,0|3,0,0]=4 1060 B12R1.348 O=C1CCN(CCN1)CCCF 2230a_100000698595_100011934791 [0,0,0,1,0,0|3,0,0]=4 1061 B12R1.348 O=C1CCN(CCN1)CCCF 269982a_100000698595_100011934791 [0,0,0,1,0,0|3,0,0]=4 1062 B12R1.348 O=C1CCN(CCN1)CCCO 2230a_100000698595_100000230001 [0,0,0,1,0,0|3,0,0]=4 1063 B12R1.348 O=C1CCN(CCN1)CCCO 269982a_100000698595_100011215043 [0,0,0,1,0,0|3,0,0]=4 1064 B12R1.453 CCC1CCC(N(C1)C(=O)C)C 11a_100011219223_100015343762 [0,0,0,1,0,0|2,0,0]=3 1065 B12R1.453 CCC1CCC(N(C1)C(=O)C)C 1626a_100011219223_100015343762 [0,0,0,1,0,0|2,0,0]=3 1066 B12R1.453 CCC1CCC(N(C1)C(=O)C)C 240690a_100011219223_100015343762 [0,0,0,1,0,0|2,0,0]=3 1067 B12R1.453 CCC1CCC(N(C1)C(=O)C)C 527a_100011219223_100103153847 [0,0,0,1,0,0|2,0,0]=3 1068 B12R1.502 CCCCC(CC)OCC1CO1 34a_100011215227_102125554688 [0,0,0,1,0,0|2,0,1]=4 1069 B12R1.502 CCCCC(CC)OCC1CO1 7a_100011215227_102125554688 [0,0,0,1,0,0|2,0,1]=4 1070 B12R1.502 CCCCC(CC)OC[C@@H]1CO1 34a_100000757423_200011216223 [0,0,0,1,0,0|2,0,1]=4 1071 B12R1.502 CCCCC(CC)OC[C@@H]1CO1 7a_100011215227_100000745022 [0,0,0,1,0,0|2,0,1]=4 1072 B12R1.502 CCCCC(CC)SCC1CO1 62a_102125554688_200011216223 [0,0,0,1,0,0|2,0,1]=4 1073 B12R1.502 CCCCC(CC)SCC1CO1 62a_200011216223_102125554688 [0,0,0,1,0,0|2,0,1]=4 1074 B12R1.502 CCCCC(CC)SC[C@@H]1CO1 62a_100000745022_200011216223 [0,0,0,1,0,0|2,0,1]=4 1075 B12R1.502 CCCCC(CC)SC[C@@H]1CO1 62a_200011216223_100000745022 [0,0,0,1,0,0|2,0,1]=4 1076 B12R1.502 CCCCN(CC)CCC1CO1 2230a_100000207695_100000732470 [0,0,0,1,0,0|2,0,1]=4 1077 B12R1.502 CCCCN(CC)CCC1CO1 269982a_100000207695_100000732470 [0,0,0,1,0,0|2,0,1]=4 1078 B12R1.504 CCCCC(CC)N1CC(C1)O 269982a_100000749847_200011216223 [0,0,0,1,0,0|2,0,1]=4 1079 B12R1.504 CCCCN(CC)C1CC(=O)C1 269982a_100000207695_100009894365 [0,0,0,1,0,0|2,0,0]=3 1080 B12R1.504 CCN(CCOC)C1CC(=O)C1 269982a_100000731262_100009894365 [0,0,0,1,0,0|3,0,0]=4 1081 B12R1.1343 C=C(C)CCN1CCCCCC1 2230a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 1082 B12R1.1343 C=C(C)CCN1CCCCCC1 269982a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 1083 B12R1.1343 C=C(C)CCN1CCCCCC1 34a_100000185865_100000730704 [0,0,0,1,0,0|3,0,0]=4 1084 B12R1.1343 C=C(C)CNC1CCCCCC1 2230a_100000210984_100000748629 [0,0,0,1,0,0|3,0,0]=4 1085 B12R1.1343 C=C(C)CNC1CCCCCC1 34a_100000210984_100000748629 [0,0,0,1,0,0|3,0,0]=4 1086 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,0,0,1,0,0|3,0,0]=4 1087 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,0,0,1,0,0|3,0,0]=4 1088 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,0,0,1,0,0|3,0,0]=4 1089 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100000748629_100011217769 [0,0,0,1,0,0|3,0,0]=4 1090 B12R1.1343 C=C(C)CSC1CCCCCC1 62a_100011217769_100000211660 [0,0,0,1,0,0|3,0,0]=4 1091 B12R1.1343 C=C(F)CNC1CCCCCC1 2230a_100000210984_100009893438 [0,0,0,1,0,0|3,0,0]=4 1092 B12R1.1343 C=C(F)CNC1CCCCCC1 34a_100000210984_100009893438 [0,0,0,1,0,0|3,0,0]=4 1093 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,0,0,1,0,0|3,0,0]=4 1094 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,0,0,1,0,0|3,0,0]=4 1095 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,0,0,1,0,0|3,0,0]=4 1096 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100000042424_100011217769 [0,0,0,1,0,0|3,0,0]=4 1097 B12R1.1343 C=C(F)CSC1CCCCCC1 62a_100011217769_100000042424 [0,0,0,1,0,0|3,0,0]=4 1098 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [0,0,0,1,0,0|2,0,0]=3 1099 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [0,0,0,1,0,0|2,0,0]=3 1100 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [0,0,0,1,0,0|2,0,0]=3 1101 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [0,0,0,1,0,0|3,0,0]=4 1102 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [0,0,0,1,0,0|2,0,0]=3 1103 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [0,0,0,1,0,0|2,0,0]=3 1104 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [0,0,0,1,0,0|2,0,0]=3 1105 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [0,0,0,1,0,0|2,0,0]=3 1106 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [0,0,0,1,0,0|2,0,0]=3 1107 B12R1.1343 CC(=O)OCN1CCCCCC1 269982a_100000185865_100000076356 [0,0,0,1,0,0|3,0,0]=4 1108 B12R1.1343 CC(=O)OCN1CCCCCC1 34a_100000185865_100009813279 [0,0,0,1,0,0|3,0,0]=4 1109 B12R1.1343 CC(O)CCN1CCCCCC1 2230a_100000185865_100012276601 [0,0,0,1,0,0|2,0,1]=4 1110 B12R1.1343 CC(O)CCN1CCCCCC1 269982a_100000185865_100012276601 [0,0,0,1,0,0|2,0,1]=4 1111 B12R1.1343 CC(O)CCN1CCCCCC1 34a_100000185865_100012276601 [0,0,0,1,0,0|2,0,1]=4 1112 B12R1.1343 CC(O)CNC1CCCCCC1 2230a_100000210984_100011218427 [0,0,0,1,0,0|2,0,1]=4 1113 B12R1.1343 CC(O)CNC1CCCCCC1 270004a_100000210904_100000210131 [0,0,0,1,0,0|2,0,1]=4 1114 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210904_100011217769 [0,0,0,1,0,0|2,0,1]=4 1115 B12R1.1343 CC(O)CNC1CCCCCC1 34a_100000210984_100011218427 [0,0,0,1,0,0|2,0,1]=4 1116 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,0,0,1,0,0|2,0,1]=4 1117 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,0,0,1,0,0|2,0,1]=4 1118 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011217769_100011218427 [0,0,0,1,0,0|2,0,1]=4 1119 B12R1.1343 CC(O)CSC1CCCCCC1 62a_100011218427_100011217769 [0,0,0,1,0,0|2,0,1]=4 1120 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 2230a_100000210984_100009817552 [0,0,0,1,0,0|2,0,1]=4 1121 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 34a_100000210984_100009817552 [0,0,0,1,0,0|2,0,1]=4 1122 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,0,0,1,0,0|2,0,1]=4 1123 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,0,0,1,0,0|2,0,1]=4 1124 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100009817552_100011217769 [0,0,0,1,0,0|2,0,1]=4 1125 B12R1.1343 C[C@@H](O)CSC1CCCCCC1 62a_100011217769_100009817552 [0,0,0,1,0,0|2,0,1]=4 1126 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [0,0,0,1,0,0|2,0,0]=3 1127 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [0,0,0,1,0,0|2,0,0]=3 1128 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [0,0,0,1,0,0|2,0,0]=3 1129 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [0,0,0,1,0,0|3,0,0]=4 1130 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [0,0,0,1,0,0|3,0,0]=4 1131 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [0,0,0,1,0,0|3,0,0]=4 1132 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [0,0,0,1,0,0|2,0,0]=3 1133 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [0,0,0,1,0,0|2,0,0]=3 1134 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [0,0,0,1,0,0|2,0,0]=3 1135 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [0,0,0,1,0,0|2,0,0]=3 1136 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [0,0,0,1,0,0|2,0,0]=3 1137 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [0,0,0,1,0,0|2,0,0]=3 1138 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [0,0,0,1,0,0|1,0,0]=2 1139 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [0,0,0,1,0,0|1,0,1]=3 1140 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [0,0,0,1,0,0|1,0,1]=3 1141 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [0,0,0,1,0,0|1,0,1]=3 1142 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [0,0,0,1,0,0|1,0,1]=3 1143 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 34a_100000210984_100000761209 [0,0,0,1,0,0|2,0,1]=4 1144 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 34a_100000210887_100000761209 [0,0,0,1,0,0|2,0,1]=4 1145 B12R1.1343 O=[N+]([O-])CSC1CCCCCC1 62a_100011217769_100000761209 [0,0,0,1,0,0|2,0,1]=4 1146 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [0,0,0,1,0,0|2,0,0]=3 1147 B12R1.1544 C=C(C)CCN(CC)C1CCC1 2230a_100000758130_100000730704 [0,0,0,1,0,0|3,0,0]=4 1148 B12R1.1544 C=C(C)CCN(CC)C1CCC1 269982a_100000758130_100000730704 [0,0,0,1,0,0|3,0,0]=4 1149 B12R1.1544 CCN(CCC(=O)C)C1CCC1 269982a_100000758130_100000053229 [0,0,0,1,0,0|2,0,0]=3 1150 B12R1.1544 CCN(CCC(=O)C)C1COC1 269982a_200015199590_100000053229 [0,0,0,1,0,0|3,0,0]=4 1151 B12R1.1544 CCN(CCC(=O)N)C1CCC1 2230a_100000758130_100000744528 [0,0,0,1,0,0|2,0,0]=3 1152 B12R1.1544 CCN(CCC(=O)N)C1CCC1 269982a_100000758130_100000744528 [0,0,0,1,0,0|2,0,0]=3 1153 B12R1.1544 CCN(CCC(=O)N)C1CCC1 270004a_100020645749_100000241760 [0,0,0,1,0,0|2,0,0]=3 1154 B12R1.1544 CCN(CCC(=O)N)C1COC1 2230a_200015199590_100000744528 [0,0,0,1,0,0|3,0,0]=4 1155 B12R1.1544 CCN(CCC(=O)N)C1COC1 269982a_200015199590_100000744528 [0,0,0,1,0,0|3,0,0]=4 1156 B12R1.1544 CCN(CCC(C)O)C1CCC1 2230a_100000758130_100012276601 [0,0,0,1,0,0|2,0,1]=4 1157 B12R1.1544 CCN(CCC(C)O)C1CCC1 269982a_100000758130_100012276601 [0,0,0,1,0,0|2,0,1]=4 1158 B12R1.1544 CCN(COC(=O)C)C1CCC1 269982a_100000758130_100000076356 [0,0,0,1,0,0|3,0,0]=4 1159 B12R1.1546 CCN(CCC(=O)N)CC1CC1 2230a_100020645749_100000742324 [0,0,0,1,0,0|2,0,0]=3 1160 B12R1.1546 CCN(CCC(=O)N)CC1CO1 2230a_100020645749_100011216344 [0,0,0,1,0,0|3,0,0]=4 1161 B12R1.1799 COCCC1(CC1)NCC(=O)N 2230a_100020603293_100000747473 [0,0,0,1,0,0|3,0,0]=4 1162 B12R1.1799 COCCC1(CC1)NCC(=O)N 34a_100020603293_100000187820 [0,0,0,1,0,0|3,0,0]=4 1163 B12R1.1799 COCCC1(CC1)NCC(=O)[O-] 34a_100020603293_100020667443 [0,0,0,1,0,0|2,0,1]=4 1164 B12R1.3845 C=C(C)CNC1(CCCC1)CC 2230a_100015183760_100000748629 [0,0,0,1,0,0|3,0,0]=4 1165 B12R1.3845 C=C(C)COC1(CCCC1)CC 7a_100000752416_100000748629 [0,0,0,1,0,0|3,0,0]=4 1166 B12R1.3845 C=C(F)CNC1(CCCC1)CC 2230a_100015183760_100009893438 [0,0,0,1,0,0|3,0,0]=4 1167 B12R1.3845 C=C(F)COC1(CCCC1)CC 7a_100000752416_100000042424 [0,0,0,1,0,0|3,0,0]=4 1168 B12R1.3845 CC(=O)NCC1(CCCC1)CO 240690a_100000699429_100015343762 [0,0,0,1,0,0|3,0,0]=4 1169 B12R1.3845 CC(=O)NCC1(CCCC1)CO 527a_100000699429_100103153847 [0,0,0,1,0,0|3,0,0]=4 1170 B12R1.3845 CCC1(CCCC1)NCC(=O)N 2230a_100015183760_100000747473 [0,0,0,1,0,0|2,0,0]=3 1171 B12R1.3845 CCC1(CCCC1)NCC(C)O 2230a_100015183760_100011218427 [0,0,0,1,0,0|2,0,1]=4 1172 B12R1.3845 CCC1(CCCC1)NC[C@@H](C)O 2230a_100015183760_100009817552 [0,0,0,1,0,0|2,0,1]=4 1173 B12R1.3845 CCC1(CCCC1)OCC(=O)N 7a_100000752416_100000187820 [0,0,0,1,0,0|2,0,0]=3 1174 B12R1.3845 CCC1(CCCC1)OCC(C)O 7a_100000752416_100011218427 [0,0,0,1,0,0|2,0,1]=4 1175 B12R1.3845 CCC1(CCCC1)OC[C@@H](C)O 7a_100000752416_100009817552 [0,0,0,1,0,0|2,0,1]=4 1176 B12R1.3845 NC(=O)CNC1(CCCC1)CO 2230a_100000749328_100000747473 [0,0,0,1,0,0|3,0,0]=4 1177 B12R1.3845 NC(=O)CNC1(CCCC1)CO 34a_100000749328_100000187820 [0,0,0,1,0,0|3,0,0]=4 1178 B12R1.3845 NCC1(CCCC1)OCC(=O)N 34a_100000737848_100000187820 [0,0,0,1,0,0|3,0,0]=4 1179 B12R1.3845 NCC1(CCCC1)OCC(=O)[O-] 34a_100000737848_100020667443 [0,0,0,1,0,0|2,0,1]=4 1180 B12R1.3845 O=C([O-])CNC1(CCCC1)CO 34a_100000749328_100020667443 [0,0,0,1,0,0|2,0,1]=4 1181 B10R0.87 C#CCCN(CC)CC(=O)O 269956a_100000746405_100000688953 [0,0,0,0,1,0|1,0,2]=4 1182 B10R0.87 C#CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000184674 [0,0,0,0,1,0|1,0,2]=4 1183 B10R0.87 C/C=C/CN(CC)CC(=O)O 269956a_100000746405_100102629194 [0,0,0,0,1,0|1,0,2]=4 1184 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000207695_100000748629 [0,0,0,0,1,0|3,0,0]=4 1185 B10R0.87 C=C(C)CN(CC)CCCC 2230a_100000211296_100000210211 [0,0,0,0,1,0|3,0,0]=4 1186 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000207695_100000748629 [0,0,0,0,1,0|3,0,0]=4 1187 B10R0.87 C=C(C)CN(CC)CCCC 269982a_100000211296_100000210211 [0,0,0,0,1,0|3,0,0]=4 1188 B10R0.87 C=C(F)CN(CC)CCCC 2230a_100000207695_100009893438 [0,0,0,0,1,0|3,0,0]=4 1189 B10R0.87 C=C(F)CN(CC)CCCC 269982a_100000207695_100009893438 [0,0,0,0,1,0|3,0,0]=4 1190 B10R0.87 C=CCCN(CC)CC(=O)O 269956a_100000746405_100000754431 [0,0,0,0,1,0|1,0,2]=4 1191 B10R0.87 C=CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210623 [0,0,0,0,1,0|1,0,2]=4 1192 B10R0.87 CC#CCN(CC)CC(=O)O 269956a_100000746405_100000748600 [0,0,0,0,1,0|1,0,2]=4 1193 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,0,0,0,1,0|1,0,0]=2 1194 B10R0.87 CCCCC(CC)CN(C)C 2230a_100102631434_100000211942 [0,0,0,0,1,0|3,0,0]=4 1195 B10R0.87 CCCCC(CC)CN(C)C 269982a_100102631434_100000211942 [0,0,0,0,1,0|3,0,0]=4 1196 B10R0.87 CCCCC(CC)CN(C)C 270004a_100102631434_100011219736 [0,0,0,0,1,0|3,0,0]=4 1197 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [0,0,0,0,1,0|2,0,0]=3 1198 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [0,0,0,0,1,0|2,0,0]=3 1199 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,0,0,0,1,0|1,0,0]=2 1200 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [0,0,0,0,1,0|1,0,1]=3 1201 B10R0.87 CCCCN(CC)CC(C)O 2230a_100000207695_100011218427 [0,0,0,0,1,0|2,0,1]=4 1202 B10R0.87 CCCCN(CC)CC(C)O 269982a_100000207695_100011218427 [0,0,0,0,1,0|2,0,1]=4 1203 B10R0.87 CCCCN(CC)C[C@@H](C)O 2230a_100000207695_100009817552 [0,0,0,0,1,0|2,0,1]=4 1204 B10R0.87 CCCCN(CC)C[C@@H](C)O 269982a_100000207695_100009817552 [0,0,0,0,1,0|2,0,1]=4 1205 B10R0.87 CCCCN(CC)C[C@H](C)O 2230a_100000729506_100000210211 [0,0,0,0,1,0|2,0,1]=4 1206 B10R0.87 CCCCN(CC)C[C@H](C)O 269982a_100000729506_100000210211 [0,0,0,0,1,0|2,0,1]=4 1207 B10R0.87 CCCCN(CC)C[N+](=O)[O-] 269982a_100000207695_100000761209 [0,0,0,0,1,0|2,0,1]=4 1208 B10R0.87 CCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210211 [0,0,0,0,1,0|2,0,1]=4 1209 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,0,0,0,1,0|3,0,0]=4 1210 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,0,0,0,1,0|3,0,0]=4 1211 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,0,0,0,1,0|1,0,0]=2 1212 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [0,0,0,0,1,0|2,0,0]=3 1213 B10R0.87 CCN(CCC#N)CC(=O)O 269956a_100000746405_100011215226 [0,0,0,0,1,0|2,0,1]=4 1214 B10R0.87 CCN(CCC#N)CC(=O)O 269956a_100011218032_100000210202 [0,0,0,0,1,0|2,0,1]=4 1215 B10R0.87 CCN(CCCF)CC(=O)O 269956a_100000746405_100011934791 [0,0,0,0,1,0|2,0,0]=3 1216 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [0,0,0,0,1,0|2,0,0]=3 1217 B10R0.87 CCN(CCOC)CC(=O)N 2230a_100000731262_100000747473 [0,0,0,0,1,0|3,0,0]=4 1218 B10R0.87 CCN(CCOC)CC(=O)N 269982a_100000731262_100000187820 [0,0,0,0,1,0|3,0,0]=4 1219 B10R0.87 CCN(CCOC)CC(=O)O 269956a_100000746405_100000233755 [0,0,0,0,1,0|2,0,0]=3 1220 B10R0.87 CCN(CCOC)CC(=O)[O-] 269982a_100000731262_100020667443 [0,0,0,0,1,0|2,0,1]=4 1221 B10R0.87 CCN(CCSC)CC(=O)O 269956a_100000746405_100000212216 [0,0,0,0,1,0|2,0,0]=3 1222 B10R0.87 CCOCN(CC)CC(=O)O 269956a_100000746405_100000739092 [0,0,0,0,1,0|2,0,0]=3 1223 B10R0.87 CC[C@H](CC(=O)O)NCC#N 269956a_100016995926_100011215382 [0,0,0,0,1,0|2,0,1]=4 1224 B10R0.87 CC[C@H](CC(=O)O)NCC=O 269956a_100016995926_200015260668 [0,0,0,0,1,0|2,0,1]=4 1225 B10R0.87 CC[C@H](CC(=O)O)NCCF 269956a_100016995926_100011217306 [0,0,0,0,1,0|2,0,0]=3 1226 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [0,0,0,0,1,0|2,0,0]=3 1227 B10R0.87 CC[C@H](CC(=O)O)NCOC 269956a_100016995926_100000766300 [0,0,0,0,1,0|2,0,0]=3 1228 B10R0.87 CC[C@H](CC(=O)O)NCSC 269956a_100016995926_100011218213 [0,0,0,0,1,0|2,0,0]=3 1229 B10R0.87 COCN[C@H](CO)CC(=O)O 269956a_100009816507_100000766300 [0,0,0,0,1,0|3,0,0]=4 1230 B10R0.87 CSCN[C@H](CO)CC(=O)O 269956a_100009816507_100011218213 [0,0,0,0,1,0|3,0,0]=4 1231 B10R0.87 O=C(O)C[C@@H](CO)NCCF 269956a_100009816507_100011217306 [0,0,0,0,1,0|3,0,0]=4 1232 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [0,0,0,0,1,0|3,0,0]=4 1233 B12R0.254 C#CC(CCCC)OCCC(=O)C 7a_200011217967_100000053229 [0,0,0,0,0,1|1,0,2]=4 1234 B12R0.254 C#CC(CCCC)OCCC(=O)N 34a_200011217967_100000731001 [0,0,0,0,0,1|1,0,2]=4 1235 B12R0.254 C#CC(CCCC)OCCC(=O)N 7a_200011217967_100000744528 [0,0,0,0,0,1|1,0,2]=4 1236 B12R0.254 C=C(Br)CCOC(CC)CCCC 34a_100009813270_200011216223 [0,0,0,0,0,1|2,0,0]=3 1237 B12R0.254 C=C(C)CCN[C@H](CO)CCCC 2230a_100011934283_100000730704 [0,0,0,0,0,1|3,0,0]=4 1238 B12R0.254 C=C(C)CCN[C@H](CO)CCCC 34a_100011934283_100000730704 [0,0,0,0,0,1|3,0,0]=4 1239 B12R0.254 C=C(C)CCOC(CC)CCCC 34a_100000764851_200011216223 [0,0,0,0,0,1|2,0,0]=3 1240 B12R0.254 C=C(C)CCOC(CC)CCCC 34a_100011215227_100000730704 [0,0,0,0,0,1|2,0,0]=3 1241 B12R0.254 C=C(C)CCOC(CC)CCCC 7a_100011215227_100000730704 [0,0,0,0,0,1|2,0,0]=3 1242 B12R0.254 C=C(C)CCSC(CC)CCCC 62a_100000730704_200011216223 [0,0,0,0,0,1|2,0,0]=3 1243 B12R0.254 C=C(C)CCSC(CC)CCCC 62a_200011216223_100000730704 [0,0,0,0,0,1|2,0,0]=3 1244 B12R0.254 C=C(C)CNCC(CC)CCCC 2230a_100000209976_100000748629 [0,0,0,0,0,1|2,0,0]=3 1245 B12R0.254 C=C(C)COCC(CC)CCCC 34a_100000210245_100000211942 [0,0,0,0,0,1|2,0,0]=3 1246 B12R0.254 C=C(C)COCC(CC)CCCC 34a_100000210273_100000748629 [0,0,0,0,0,1|2,0,0]=3 1247 B12R0.254 C=C(C)COCC(CC)CCCC 7a_100000210273_100000748629 [0,0,0,0,0,1|2,0,0]=3 1248 B12R0.254 C=C(C)CSCC(CC)CCCC 62a_100000211942_100000211660 [0,0,0,0,0,1|2,0,0]=3 1249 B12R0.254 C=C(C)CSCC(CC)CCCC 62a_100000748629_100000211942 [0,0,0,0,0,1|2,0,0]=3 1250 B12R0.254 C=C(F)CNCC(CC)CCCC 2230a_100000209976_100009893438 [0,0,0,0,0,1|2,0,0]=3 1251 B12R0.254 C=C(F)COCC(CC)CCCC 34a_100000210273_100009893438 [0,0,0,0,0,1|2,0,0]=3 1252 B12R0.254 C=C(F)COCC(CC)CCCC 34a_200010262243_100000211942 [0,0,0,0,0,1|2,0,0]=3 1253 B12R0.254 C=C(F)COCC(CC)CCCC 7a_100000210273_100000042424 [0,0,0,0,0,1|2,0,0]=3 1254 B12R0.254 C=C(F)CSCC(CC)CCCC 62a_100000042424_100000211942 [0,0,0,0,0,1|2,0,0]=3 1255 B12R0.254 C=C(F)CSCC(CC)CCCC 62a_100000211942_100000042424 [0,0,0,0,0,1|2,0,0]=3 1256 B12R0.254 C=CC(CCCC)OCCC(=O)C 7a_200011215037_100000053229 [0,0,0,0,0,1|1,0,2]=4 1257 B12R0.254 C=CC(CCCC)OCCC(=O)N 34a_200011215037_100000731001 [0,0,0,0,0,1|1,0,2]=4 1258 B12R0.254 C=CC(CCCC)OCCC(=O)N 7a_200011215037_100000744528 [0,0,0,0,0,1|1,0,2]=4 1259 B12R0.254 CCC/C=C(\CC)/COCC(=O)N 34a_200015372368_100000187820 [0,0,0,0,0,1|1,0,2]=4 1260 B12R0.254 CCC/C=C(\CC)/COCC(=O)N 7a_200015372368_100000187820 [0,0,0,0,0,1|1,0,2]=4 1261 B12R0.254 CCC/C=C(\CC)/COCC(=O)[O-] 34a_200015372368_100020667443 [0,0,0,0,0,1|0,0,3]=4 1262 B12R0.254 CCCCC(C=NNC(=O)C)CC 4a_100000189765_100011219736 [0,0,0,0,0,1|2,0,1]=4 1263 B12R0.254 CCCCC(CC)CCCN(C)C 2230a_100011691468_200000210301 [0,0,0,0,0,1|3,0,0]=4 1264 B12R0.254 CCCCC(CC)CCCN(C)C 269982a_100011691468_200000210301 [0,0,0,0,0,1|3,0,0]=4 1265 B12R0.254 CCCCC(CC)CCCN(C)[13CH3] 2230a_100011691468_200025704644 [0,0,0,0,0,1|3,0,0]=4 1266 B12R0.254 CCCCC(CC)CCCN(C)[13CH3] 269982a_100011691468_200025704644 [0,0,0,0,0,1|3,0,0]=4 1267 B12R0.254 CCCCC(CC)CNCC(=O)N 2230a_100000209976_100000747473 [0,0,0,0,0,1|1,0,0]=2 1268 B12R0.254 CCCCC(CC)CNCC(=O)N 2230a_100000711301_100000211942 [0,0,0,0,0,1|1,0,0]=2 1269 B12R0.254 CCCCC(CC)CNCC(=O)O 269956a_100016091260_100000211942 [0,0,0,0,0,1|0,0,0]=1 1270 B12R0.254 CCCCC(CC)CNCC(C)C 2230a_100000209976_100000210760 [0,0,0,0,0,1|2,0,1]=4 1271 B12R0.254 CCCCC(CC)CNCC(C)C 2230a_100000210953_100000211942 [0,0,0,0,0,1|2,0,1]=4 1272 B12R0.254 CCCCC(CC)CNCC(C)C 269862a_100000210953_100011219736 [0,0,0,0,0,1|2,0,1]=4 1273 B12R0.254 CCCCC(CC)CNCC(C)C 270004a_100000209976_100000210432 [0,0,0,0,0,1|2,0,1]=4 1274 B12R0.254 CCCCC(CC)CNCC(C)C 270004a_100000210953_100011219736 [0,0,0,0,0,1|2,0,1]=4 1275 B12R0.254 CCCCC(CC)CNCC(C)C 34a_100000210953_100000211942 [0,0,0,0,0,1|2,0,1]=4 1276 B12R0.254 CCCCC(CC)CNCC(C)O 2230a_100000209976_100011218427 [0,0,0,0,0,1|1,0,1]=3 1277 B12R0.254 CCCCC(CC)CNCC(C)O 2230a_100000210904_100000211942 [0,0,0,0,0,1|1,0,1]=3 1278 B12R0.254 CCCCC(CC)CNCC(C)O 269862a_100000210904_100011219736 [0,0,0,0,0,1|1,0,1]=3 1279 B12R0.254 CCCCC(CC)CNCC(C)O 270004a_100000210904_100011219736 [0,0,0,0,0,1|1,0,1]=3 1280 B12R0.254 CCCCC(CC)CNCC(C)O 34a_100000210904_100000211942 [0,0,0,0,0,1|1,0,1]=3 1281 B12R0.254 CCCCC(CC)CNCC(F)F 2230a_100000209976_100011934356 [0,0,0,0,0,1|2,0,1]=4 1282 B12R0.254 CCCCC(CC)CNCC(F)F 270004a_100000765723_100011219736 [0,0,0,0,0,1|2,0,1]=4 1283 B12R0.254 CCCCC(CC)CNCC(F)F 34a_100000765723_100000211942 [0,0,0,0,0,1|2,0,1]=4 1284 B12R0.254 CCCCC(CC)CNC[C@@H](C)O 2230a_100000209976_100009817552 [0,0,0,0,0,1|1,0,1]=3 1285 B12R0.254 CCCCC(CC)COCC(=O)C 34a_100000211253_100000211942 [0,0,0,0,0,1|1,0,0]=2 1286 B12R0.254 CCCCC(CC)COCC(=O)N 34a_100000210273_100000187820 [0,0,0,0,0,1|1,0,0]=2 1287 B12R0.254 CCCCC(CC)COCC(=O)N 7a_100000210273_100000187820 [0,0,0,0,0,1|1,0,0]=2 1288 B12R0.254 CCCCC(CC)COCC(=O)[O-] 34a_100000210273_100020667443 [0,0,0,0,0,1|0,0,1]=2 1289 B12R0.254 CCCCC(CC)COCC(C)Br 34a_100012180447_100000211942 [0,0,0,0,0,1|2,0,1]=4 1290 B12R0.254 CCCCC(CC)COCC(C)C 34a_100000210257_100000211942 [0,0,0,0,0,1|2,0,1]=4 1291 B12R0.254 CCCCC(CC)COCC(C)C 34a_100000210273_100000210624 [0,0,0,0,0,1|2,0,1]=4 1292 B12R0.254 CCCCC(CC)COCC(C)C 7a_100000210273_100000210760 [0,0,0,0,0,1|2,0,1]=4 1293 B12R0.254 CCCCC(CC)COCC(C)F 34a_100015925927_100000211942 [0,0,0,0,0,1|2,0,1]=4 1294 B12R0.254 CCCCC(CC)COCC(C)O 34a_100000210273_100011218427 [0,0,0,0,0,1|1,0,1]=3 1295 B12R0.254 CCCCC(CC)COCC(C)O 7a_100000210273_100011218427 [0,0,0,0,0,1|1,0,1]=3 1296 B12R0.254 CCCCC(CC)COCC(F)F 34a_100000210273_100011934356 [0,0,0,0,0,1|2,0,1]=4 1297 B12R0.254 CCCCC(CC)COCC(F)F 34a_100000743014_100000211942 [0,0,0,0,0,1|2,0,1]=4 1298 B12R0.254 CCCCC(CC)COCC(F)F 7a_100000210273_100011934356 [0,0,0,0,0,1|2,0,1]=4 1299 B12R0.254 CCCCC(CC)COC[C@@H](C)Cl 34a_100016084084_100000211942 [0,0,0,0,0,1|2,0,1]=4 1300 B12R0.254 CCCCC(CC)COC[C@@H](C)N 34a_100000737577_100000211942 [0,0,0,0,0,1|2,0,1]=4 1301 B12R0.254 CCCCC(CC)COC[C@@H](C)O 34a_100000210273_100009817552 [0,0,0,0,0,1|1,0,1]=3 1302 B12R0.254 CCCCC(CC)COC[C@@H](C)O 7a_100000210273_100009817552 [0,0,0,0,0,1|1,0,1]=3 1303 B12R0.254 CCCCC(CC)COC[N+](=O)[O-] 34a_100000210273_100000761209 [0,0,0,0,0,1|1,0,1]=3 1304 B12R0.254 CCCCC(CC)CSCC(=O)N 62a_100000211942_100000747473 [0,0,0,0,0,1|1,0,0]=2 1305 B12R0.254 CCCCC(CC)CSCC(=O)N 62a_100000747473_100000211942 [0,0,0,0,0,1|1,0,0]=2 1306 B12R0.254 CCCCC(CC)CSCC(=O)[O-] 62a_100000211942_100020667443 [0,0,0,0,0,1|0,0,1]=2 1307 B12R0.254 CCCCC(CC)CSCC(=O)[O-] 62a_100020667443_100000211942 [0,0,0,0,0,1|0,0,1]=2 1308 B12R0.254 CCCCC(CC)CSCC(C)C 62a_100000210624_100000211942 [0,0,0,0,0,1|2,0,1]=4 1309 B12R0.254 CCCCC(CC)CSCC(C)C 62a_100000211942_100000210760 [0,0,0,0,0,1|2,0,1]=4 1310 B12R0.254 CCCCC(CC)CSCC(C)O 62a_100000211942_100011218427 [0,0,0,0,0,1|1,0,1]=3 1311 B12R0.254 CCCCC(CC)CSCC(C)O 62a_100011218427_100000211942 [0,0,0,0,0,1|1,0,1]=3 1312 B12R0.254 CCCCC(CC)CSCC(F)F 62a_100000211942_100011934356 [0,0,0,0,0,1|2,0,1]=4 1313 B12R0.254 CCCCC(CC)CSCC(F)F 62a_100011934356_100000211942 [0,0,0,0,0,1|2,0,1]=4 1314 B12R0.254 CCCCC(CC)CSC[C@@H](C)O 62a_100000211942_100009817552 [0,0,0,0,0,1|1,0,1]=3 1315 B12R0.254 CCCCC(CC)CSC[C@@H](C)O 62a_100009817552_100000211942 [0,0,0,0,0,1|1,0,1]=3 1316 B12R0.254 CCCCC(CC)CSC[N+](=O)[O-] 62a_100000211942_100000761209 [0,0,0,0,0,1|1,0,1]=3 1317 B12R0.254 CCCCC(CC)NCC=C(C)C 270004a_100000718196_100000753412 [0,0,0,0,0,1|2,0,1]=4 1318 B12R0.254 CCCCC(CC)NCC=C(C)C 34a_100000718196_200011216223 [0,0,0,0,0,1|2,0,1]=4 1319 B12R0.254 CCCCC(CC)NCCC(C)C 270004a_100000210545_100000753412 [0,0,0,0,0,1|2,0,1]=4 1320 B12R0.254 CCCCC(CC)NCCC(C)O 270004a_200000755665_100000753412 [0,0,0,0,0,1|1,0,1]=3 1321 B12R0.254 CCCCC(CC)NCCN(C)C 270004a_100000210585_100000753412 [0,0,0,0,0,1|3,0,0]=4 1322 B12R0.254 CCCCC(CC)NOCC(=O)O 269956a_100000106656_200011216223 [0,0,0,0,0,1|1,0,0]=2 1323 B12R0.254 CCCCC(CC)OCC=C(C)C 34a_100000753907_200011216223 [0,0,0,0,0,1|2,0,1]=4 1324 B12R0.254 CCCCC(CC)OCC=C(C)C 34a_100011215227_100000761012 [0,0,0,0,0,1|2,0,1]=4 1325 B12R0.254 CCCCC(CC)OCC=C(C)C 7a_100011215227_100000761012 [0,0,0,0,0,1|2,0,1]=4 1326 B12R0.254 CCCCC(CC)OCCC(=O)C 34a_100000759926_200011216223 [0,0,0,0,0,1|1,0,0]=2 1327 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100000759926_200011216223 [0,0,0,0,0,1|1,0,0]=2 1328 B12R0.254 CCCCC(CC)OCCC(=O)C 7a_100011215227_100000053229 [0,0,0,0,0,1|1,0,0]=2 1329 B12R0.254 CCCCC(CC)OCCC(=O)N 34a_100000757172_200011216223 [0,0,0,0,0,1|1,0,0]=2 1330 B12R0.254 CCCCC(CC)OCCC(=O)N 34a_100011215227_100000731001 [0,0,0,0,0,1|1,0,0]=2 1331 B12R0.254 CCCCC(CC)OCCC(=O)N 7a_100000757172_200011216223 [0,0,0,0,0,1|1,0,0]=2 1332 B12R0.254 CCCCC(CC)OCCC(=O)N 7a_100011215227_100000744528 [0,0,0,0,0,1|1,0,0]=2 1333 B12R0.254 CCCCC(CC)OCCC(C)Br 34a_100009893172_200011216223 [0,0,0,0,0,1|2,0,1]=4 1334 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100000210254_200011216223 [0,0,0,0,0,1|2,0,1]=4 1335 B12R0.254 CCCCC(CC)OCCC(C)C 34a_100011215227_100000210312 [0,0,0,0,0,1|2,0,1]=4 1336 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100000210254_200011216223 [0,0,0,0,0,1|2,0,1]=4 1337 B12R0.254 CCCCC(CC)OCCC(C)C 7a_100011215227_100000210626 [0,0,0,0,0,1|2,0,1]=4 1338 B12R0.254 CCCCC(CC)OCCC(C)O 34a_100011215227_100012276601 [0,0,0,0,0,1|1,0,1]=3 1339 B12R0.254 CCCCC(CC)OCCC(C)O 7a_100011215227_100012276601 [0,0,0,0,0,1|1,0,1]=3 1340 B12R0.254 CCCCC(CC)OCCC(F)F 34a_100103093639_200011216223 [0,0,0,0,0,1|2,0,1]=4 1341 B12R0.254 CCCCC(CC)OCCN(C)C 7a_100011215227_100000755713 [0,0,0,0,0,1|3,0,0]=4 1342 B12R0.254 CCCCC(CC)OCC[C@@H](C)N 34a_100000706166_200011216223 [0,0,0,0,0,1|2,0,1]=4 1343 B12R0.254 CCCCC(CC)OCOC(=O)C 34a_100011215227_100009813279 [0,0,0,0,0,1|2,0,0]=3 1344 B12R0.254 CCCCC(CC)SCC=C(C)C 62a_100000761012_200011216223 [0,0,0,0,0,1|2,0,1]=4 1345 B12R0.254 CCCCC(CC)SCC=C(C)C 62a_200011216223_100000761012 [0,0,0,0,0,1|2,0,1]=4 1346 B12R0.254 CCCCC(CC)SCCC(=O)C 62a_100000053229_200011216223 [0,0,0,0,0,1|1,0,0]=2 1347 B12R0.254 CCCCC(CC)SCCC(=O)C 62a_200011216223_100000053229 [0,0,0,0,0,1|1,0,0]=2 1348 B12R0.254 CCCCC(CC)SCCC(=O)N 62a_100000744528_200011216223 [0,0,0,0,0,1|1,0,0]=2 1349 B12R0.254 CCCCC(CC)SCCC(=O)N 62a_200011216223_100000744528 [0,0,0,0,0,1|1,0,0]=2 1350 B12R0.254 CCCCC(CC)SCCC(C)C 62a_100000210312_200011216223 [0,0,0,0,0,1|2,0,1]=4 1351 B12R0.254 CCCCC(CC)SCCC(C)C 62a_200011216223_100000210312 [0,0,0,0,0,1|2,0,1]=4 1352 B12R0.254 CCCCC(CC)SCCC(C)O 62a_100012276601_200011216223 [0,0,0,0,0,1|1,0,1]=3 1353 B12R0.254 CCCCC(CC)SCCC(C)O 62a_200011216223_100012276601 [0,0,0,0,0,1|1,0,1]=3 1354 B12R0.254 CCCCC(CC)SCCN(C)C 62a_200011216223_100000755713 [0,0,0,0,0,1|3,0,0]=4 1355 B12R0.254 CCCCC(CC)SCOC(=O)C 62a_100000076356_200011216223 [0,0,0,0,0,1|2,0,0]=3 1356 B12R0.254 CCCCC(CC)SCOC(=O)C 62a_200011216223_100000076356 [0,0,0,0,0,1|2,0,0]=3 1357 B12R0.254 CCCCN(CC)CCC=C(C)C 2230a_100000207695_100011217483 [0,0,0,0,0,1|3,0,0]=4 1358 B12R0.254 CCCCN(CC)CCC=C(C)C 269982a_100000207695_100011217483 [0,0,0,0,0,1|3,0,0]=4 1359 B12R0.254 CCCCN(CC)CCC=C(F)F 2230a_100000207695_200009816681 [0,0,0,0,0,1|3,0,0]=4 1360 B12R0.254 CCCCN(CC)CCC=C(F)F 269982a_100000207695_200009816681 [0,0,0,0,0,1|3,0,0]=4 1361 B12R0.254 CCCCN(CC)CCCC(=O)C 269982a_100000207695_100011215641 [0,0,0,0,0,1|2,0,0]=3 1362 B12R0.254 CCCCN(CC)CCCC(=O)N 269982a_100000207695_100102525003 [0,0,0,0,0,1|2,0,0]=3 1363 B12R0.254 CCCCN(CC)CCCC(C)O 2230a_100000207695_200000718107 [0,0,0,0,0,1|2,0,1]=4 1364 B12R0.254 CCCCN(CC)CCCC(C)O 269982a_100000207695_200000718107 [0,0,0,0,0,1|2,0,1]=4 1365 B12R0.254 CCCCN(CC)CCNC(=O)C 1626a_200011208488_100015343762 [0,0,0,0,0,1|2,0,0]=3 1366 B12R0.254 CCCCN(CC)CCNC(=O)C 2230a_100000207695_100000189650 [0,0,0,0,0,1|2,0,0]=3 1367 B12R0.254 CCCCN(CC)CCNC(=O)C 240690a_200011208488_100015343762 [0,0,0,0,0,1|2,0,0]=3 1368 B12R0.254 CCCCN(CC)CCNC(=O)C 269982a_100000207695_100000189650 [0,0,0,0,0,1|2,0,0]=3 1369 B12R0.254 CCCCN(CC)CCNC(=O)C 527a_200011208488_100103153847 [0,0,0,0,0,1|2,0,0]=3 1370 B12R0.254 CCCCN(CC)CCNC(=O)N 2230a_100000207695_200000034859 [0,0,0,0,0,1|2,0,0]=3 1371 B12R0.254 CCCCN(CC)CCNC(=O)N 269982a_100000207695_200000034859 [0,0,0,0,0,1|2,0,0]=3 1372 B12R0.254 CCCCN(CC)CCOC(=O)C 269982a_100000207695_100009814007 [0,0,0,0,0,1|2,0,0]=3 1373 B12R0.254 CCCCN(CC)CCOC(=O)N 269982a_100000207695_200011214921 [0,0,0,0,0,1|2,0,0]=3 1374 B12R0.254 CCCC[C@@H](CO)NCCC(=O)N 2230a_100011934283_100000744528 [0,0,0,0,0,1|2,0,0]=3 1375 B12R0.254 CCCC[C@@H](CO)NCCC(=O)N 34a_100011934283_100000731001 [0,0,0,0,0,1|2,0,0]=3 1376 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 2230a_100011934283_100012276601 [0,0,0,0,0,1|2,0,1]=4 1377 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 34a_100011934283_100012276601 [0,0,0,0,0,1|2,0,1]=4 1378 B12R0.254 CCCC[C@@H](CO)NCOC(=O)C 34a_100011934283_100009813279 [0,0,0,0,0,1|3,0,0]=4 1379 B12R0.254 CCN(CCCC(=O)C)CCOC 269982a_100000731262_100011215641 [0,0,0,0,0,1|3,0,0]=4 1380 B12R0.254 CCN(CCCC(=O)N)CCOC 269982a_100000731262_100102525003 [0,0,0,0,0,1|3,0,0]=4 1381 B12R0.254 CCN(CCNC(=O)C)CCOC 2230a_100000731262_100000189650 [0,0,0,0,0,1|3,0,0]=4 1382 B12R0.254 CCN(CCNC(=O)C)CCOC 269982a_100000731262_100000189650 [0,0,0,0,0,1|3,0,0]=4 1383 B12R0.254 CCN(CCNC(=O)N)CCOC 2230a_100000731262_200000034859 [0,0,0,0,0,1|3,0,0]=4 1384 B12R0.254 CCN(CCNC(=O)N)CCOC 269982a_100000731262_200000034859 [0,0,0,0,0,1|3,0,0]=4 1385 B12R0.254 CCN(CCOC)CCOC(=O)C 269982a_100000731262_100009814007 [0,0,0,0,0,1|3,0,0]=4 1386 B12R0.254 CCN(CCOC)CCOC(=O)N 269982a_100000731262_200011214921 [0,0,0,0,0,1|3,0,0]=4 1387 B12R0.254 CCOCC(CN)OCCC(=O)N 34a_102515437182_100000731001 [0,0,0,0,0,1|3,0,0]=4 1388 B12R0.254 CSCC[C@@H](CO)NCCC(=O)N 2230a_100011827619_100000744528 [0,0,0,0,0,1|3,0,0]=4 1389 B9R0.18 C=CCCC(C)NCCC 270004a_100020643023_100000762624 [2,0,0,0,0,0|2,0,0]=4 1390 B9R0.18 C=CCCC(C)OCCC 34a_100000765329_100000210303 [2,0,0,0,0,0|2,0,0]=4 1391 B9R0.18 C=CCCC(C)OCCC 7a_100000765329_100000210303 [2,0,0,0,0,0|2,0,0]=4 1392 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [2,0,0,0,0,0|2,0,0]=4 1393 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [2,0,0,0,0,0|2,0,0]=4 1394 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [2,0,0,0,0,0|2,0,0]=4 1395 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [2,0,0,0,0,0|2,0,0]=4 1396 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [2,0,0,0,0,0|2,0,0]=4 1397 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [2,0,0,0,0,0|2,0,0]=4 1398 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [2,0,0,0,0,0|2,0,0]=4 1399 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [2,0,0,0,0,0|2,0,0]=4 1400 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [2,0,0,0,0,0|2,0,0]=4 1401 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [2,0,0,0,0,0|2,0,0]=4 1402 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [2,0,0,0,0,0|2,0,0]=4 1403 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [2,0,0,0,0,0|2,0,0]=4 1404 B9R0.18 CC(CCCCl)OCC=O 34a_200000718107_200009817547 [2,0,0,0,0,0|2,0,0]=4 1405 B9R0.18 CC(CCCCl)OCC=O 7a_200000718107_200015260668 [2,0,0,0,0,0|2,0,0]=4 1406 B9R0.18 CCCCC(C)NCC=O 2230a_100000126638_200015260668 [2,0,0,0,0,0|1,0,0]=3 1407 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [2,0,0,0,0,0|1,0,1]=4 1408 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [2,0,0,0,0,0|1,0,1]=4 1409 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [2,0,0,0,0,0|1,0,1]=4 1410 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [2,0,0,0,0,0|1,0,1]=4 1411 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [2,0,0,0,0,0|1,0,0]=3 1412 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [2,0,0,0,0,0|1,0,0]=3 1413 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [2,0,0,0,0,0|1,0,1]=4 1414 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [2,0,0,0,0,0|1,0,1]=4 1415 B9R0.18 CCCCC(C)SCC=O 62a_200011215066_200015260668 [2,0,0,0,0,0|1,0,0]=3 1416 B9R0.18 CCCCC(C)SCC=O 62a_200015260668_200011215066 [2,0,0,0,0,0|1,0,0]=3 1417 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [2,0,0,0,0,0|1,0,1]=4 1418 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [2,0,0,0,0,0|1,0,1]=4 1419 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [2,0,0,0,0,0|1,0,1]=4 1420 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [2,0,0,0,0,0|1,0,1]=4 1421 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [2,0,0,0,0,0|1,0,1]=4 1422 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [2,0,0,0,0,0|1,0,1]=4 1423 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [2,0,0,0,0,0|1,0,1]=4 1424 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [2,0,0,0,0,0|1,0,1]=4 1425 B9R0.18 CCOCC(C)OCC=O 34a_100000718985_200009817547 [2,0,0,0,0,0|2,0,0]=4 1426 B9R0.18 CCOCC(C)OCC=O 7a_100000718985_200015260668 [2,0,0,0,0,0|2,0,0]=4 1427 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [2,0,0,0,0,0|1,0,1]=4 1428 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [2,0,0,0,0,0|1,0,1]=4 1429 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [2,0,0,0,0,0|1,0,1]=4 1430 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [2,0,0,0,0,0|1,0,1]=4 1431 B9R0.40 C=CCCN(CC)CCC 2230a_100000226822_100000754431 [2,0,0,0,0,0|2,0,0]=4 1432 B9R0.40 C=CCCN(CC)CCC 269982a_100000226822_100000754431 [2,0,0,0,0,0|2,0,0]=4 1433 B9R0.40 C=CCN(CC)CCCC 2230a_100000207695_100000210623 [2,0,0,0,0,0|1,0,1]=4 1434 B9R0.40 C=CCN(CC)CCCC 269982a_100000207695_100000210623 [2,0,0,0,0,0|1,0,1]=4 1435 B9R0.40 C=CCNC(CC)CCC 2230a_100000747048_100000210623 [2,0,0,0,0,0|2,0,0]=4 1436 B9R0.40 C=CCNC(CC)CCC 270004a_100020586998_100000687865 [2,0,0,0,0,0|2,0,0]=4 1437 B9R0.40 C=CCOC(CC)CCC 34a_100000687864_100015514636 [2,0,0,0,0,0|2,0,0]=4 1438 B9R0.40 C=CCOC(CC)CCC 7a_100000687864_100015514636 [2,0,0,0,0,0|2,0,0]=4 1439 B9R0.40 C=CCSC(CC)CCC 62a_100000210623_100011219200 [2,0,0,0,0,0|2,0,0]=4 1440 B9R0.40 C=CCSC(CC)CCC 62a_100011219200_100000210623 [2,0,0,0,0,0|2,0,0]=4 1441 B9R0.40 CCC(COC)NCC=O 2230a_100000757820_200015260668 [2,0,0,0,0,0|2,0,0]=4 1442 B9R0.40 CCC(COC)OCC=O 7a_200011214946_200015260668 [2,0,0,0,0,0|2,0,0]=4 1443 B9R0.40 CCCC(CC)NCC=O 2230a_100000747048_200015260668 [2,0,0,0,0,0|1,0,0]=3 1444 B9R0.40 CCCC(CC)NCCO 2230a_100000747048_100000211926 [2,0,0,0,0,0|1,0,1]=4 1445 B9R0.40 CCCC(CC)NCCO 270004a_100000210304_100000687865 [2,0,0,0,0,0|1,0,1]=4 1446 B9R0.40 CCCC(CC)OCC=O 34a_100000687864_200009817547 [2,0,0,0,0,0|1,0,0]=3 1447 B9R0.40 CCCC(CC)OCC=O 7a_100000687864_200015260668 [2,0,0,0,0,0|1,0,0]=3 1448 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [2,0,0,0,0,0|1,0,1]=4 1449 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [2,0,0,0,0,0|1,0,1]=4 1450 B9R0.40 CCCC(CC)SCC=O 62a_100011219200_200015260668 [2,0,0,0,0,0|1,0,0]=3 1451 B9R0.40 CCCC(CC)SCC=O 62a_200015260668_100011219200 [2,0,0,0,0,0|1,0,0]=3 1452 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [2,0,0,0,0,0|1,0,1]=4 1453 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [2,0,0,0,0,0|1,0,1]=4 1454 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [2,0,0,0,0,0|1,0,1]=4 1455 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [2,0,0,0,0,0|1,0,1]=4 1456 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [2,0,0,0,0,0|1,0,1]=4 1457 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [2,0,0,0,0,0|1,0,1]=4 1458 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [2,0,0,0,0,0|1,0,1]=4 1459 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [2,0,0,0,0,0|1,0,1]=4 1460 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [2,0,0,0,0,0|1,0,1]=4 1461 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [2,0,0,0,0,0|1,0,1]=4 1462 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [2,0,0,0,0,0|1,0,1]=4 1463 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [2,0,0,0,0,0|1,0,1]=4 1464 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [2,0,0,0,0,0|1,0,1]=4 1465 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [2,0,0,0,0,0|1,0,1]=4 1466 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [2,0,0,0,0,0|1,0,1]=4 1467 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [2,0,0,0,0,0|1,0,1]=4 1468 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [2,0,0,0,0,0|1,0,1]=4 1469 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [2,0,0,0,0,0|1,0,1]=4 1470 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [2,0,0,0,0,0|1,0,1]=4 1471 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [2,0,0,0,0,0|1,0,1]=4 1472 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [2,0,0,0,0,0|1,0,1]=4 1473 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [2,0,0,0,0,0|1,0,1]=4 1474 B9R0.40 CCCCC(CC)OCF 34a_100011215227_100015361967 [2,0,0,0,0,0|2,0,0]=4 1475 B9R0.40 CCCCC(CC)OCF 7a_100011215227_100015361967 [2,0,0,0,0,0|2,0,0]=4 1476 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [2,0,0,0,0,0|1,0,1]=4 1477 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [2,0,0,0,0,0|1,0,1]=4 1478 B9R0.40 CCCCC(CC)SCF 62a_100015361967_200011216223 [2,0,0,0,0,0|2,0,0]=4 1479 B9R0.40 CCCCC(CC)SCF 62a_200011216223_100015361967 [2,0,0,0,0,0|2,0,0]=4 1480 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [2,0,0,0,0,0|1,0,1]=4 1481 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [2,0,0,0,0,0|1,0,1]=4 1482 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [2,0,0,0,0,0|1,0,1]=4 1483 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [2,0,0,0,0,0|1,0,1]=4 1484 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [2,0,0,0,0,0|1,0,1]=4 1485 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [2,0,0,0,0,0|1,0,1]=4 1486 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [2,0,0,0,0,0|1,0,1]=4 1487 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [2,0,0,0,0,0|1,0,1]=4 1488 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [2,0,0,0,0,0|1,0,1]=4 1489 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [2,0,0,0,0,0|1,0,1]=4 1490 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [2,0,0,0,0,0|1,0,1]=4 1491 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [2,0,0,0,0,0|1,0,0]=3 1492 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [2,0,0,0,0,0|1,0,0]=3 1493 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [2,0,0,0,0,0|1,0,1]=4 1494 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [2,0,0,0,0,0|1,0,1]=4 1495 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [2,0,0,0,0,0|1,0,1]=4 1496 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [2,0,0,0,0,0|1,0,1]=4 1497 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [2,0,0,0,0,0|1,0,1]=4 1498 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [2,0,0,0,0,0|1,0,1]=4 1499 B9R0.40 CCCCN(CC)CCF 2230a_100000207695_100011217306 [2,0,0,0,0,0|2,0,0]=4 1500 B9R0.40 CCCCN(CC)CCF 269982a_100000207695_100011217306 [2,0,0,0,0,0|2,0,0]=4 1501 B9R0.40 CCCCN(CC)CCO 2230a_100000198060_100000210202 [2,0,0,0,0,0|1,0,0]=3 1502 B9R0.40 CCCCN(CC)CCO 2230a_100000207695_100000211926 [2,0,0,0,0,0|1,0,0]=3 1503 B9R0.40 CCCCN(CC)CCO 2230a_100000210973_100000210211 [2,0,0,0,0,0|1,0,0]=3 1504 B9R0.40 CCCCN(CC)CCO 269982a_100000198060_100000204670 [2,0,0,0,0,0|1,0,0]=3 1505 B9R0.40 CCCCN(CC)CCO 269982a_100000207695_100000211926 [2,0,0,0,0,0|1,0,0]=3 1506 B9R0.40 CCCCN(CC)CCO 269982a_100000210973_100000210211 [2,0,0,0,0,0|1,0,0]=3 1507 B9R0.40 CCCCN(CF)CCO 269982a_100000198060_100015361967 [2,0,0,0,0,0|2,0,0]=4 1508 B9R0.40 CCCN(CC)CCCO 2230a_100000226822_100000230001 [2,0,0,0,0,0|1,0,1]=4 1509 B9R0.40 CCCN(CC)CCCO 269982a_100000226822_100011215043 [2,0,0,0,0,0|1,0,1]=4 1510 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [2,0,0,0,0,0|1,0,1]=4 1511 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [2,0,0,0,0,0|1,0,1]=4 1512 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [2,0,0,0,0,0|1,0,1]=4 1513 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [2,0,0,0,0,0|1,0,1]=4 1514 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [2,0,0,0,0,0|1,0,1]=4 1515 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [2,0,0,0,0,0|1,0,1]=4 1516 B9R0.40 CCC[C@@H](CO)NCC=O 2230a_100000732646_200015260668 [2,0,0,0,0,0|2,0,0]=4 1517 B9R0.40 CCC[C@@H](CO)NCC=O 34a_100000732646_200009817547 [2,0,0,0,0,0|2,0,0]=4 1518 B9R0.40 CCN(CC=O)CCOC 2230a_100000731262_200015260668 [2,0,0,0,0,0|2,0,0]=4 1519 B9R0.40 CCN(CC=O)CCOC 269982a_100000731262_200015260668 [2,0,0,0,0,0|2,0,0]=4 1520 B9R0.40 CCN(CCO)CCCF 2230a_100000210973_100011934791 [2,0,0,0,0,0|2,0,0]=4 1521 B9R0.40 CCN(CCO)CCCF 269982a_100000210973_100011934791 [2,0,0,0,0,0|2,0,0]=4 1522 B9R0.40 CCN(CCO)CCCO 2230a_100000210973_100000230001 [2,0,0,0,0,0|2,0,0]=4 1523 B9R0.40 CCN(CCO)CCCO 2230a_200000212863_100000210202 [2,0,0,0,0,0|2,0,0]=4 1524 B9R0.40 CCN(CCO)CCCO 269982a_100000210973_100011215043 [2,0,0,0,0,0|2,0,0]=4 1525 B9R0.40 CCN(CCO)CCCO 269982a_200000212863_100000204670 [2,0,0,0,0,0|2,0,0]=4 1526 B9R0.40 CCN(CCO)CCOC 2230a_100000210973_100011201679 [2,0,0,0,0,0|2,0,0]=4 1527 B9R0.40 CCN(CCO)CCOC 2230a_100000731262_100000211926 [2,0,0,0,0,0|2,0,0]=4 1528 B9R0.40 CCN(CCO)CCOC 269982a_100000210973_100000233755 [2,0,0,0,0,0|2,0,0]=4 1529 B9R0.40 CCN(CCO)CCOC 269982a_100000731262_100000211926 [2,0,0,0,0,0|2,0,0]=4 1530 B9R0.40 CCN(CCO)CCSC 2230a_100000210973_100000751147 [2,0,0,0,0,0|2,0,0]=4 1531 B9R0.40 CCN(CCO)CCSC 269982a_100000210973_100000212216 [2,0,0,0,0,0|2,0,0]=4 1532 B9R0.40 CCOCN(CC)CCO 269982a_100000210973_100000739092 [2,0,0,0,0,0|2,0,0]=4 1533 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [2,0,0,0,0,0|2,0,0]=4 1534 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [2,0,0,0,0,0|2,0,0]=4 1535 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [2,0,0,0,0,0|2,0,0]=4 1536 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [2,0,0,0,0,0|2,0,0]=4 1537 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [2,0,0,0,0,0|2,0,0]=4 1538 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [2,0,0,0,0,0|1,0,0]=3 1539 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [2,0,0,0,0,0|2,0,0]=4 1540 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [2,0,0,0,0,0|2,0,0]=4 1541 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [2,0,0,0,0,0|2,0,0]=4 1542 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [2,0,0,0,0,0|2,0,0]=4 1543 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [2,0,0,0,0,0|2,0,0]=4 1544 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [2,0,0,0,0,0|1,0,1]=4 1545 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [2,0,0,0,0,0|1,0,1]=4 1546 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [2,0,0,0,0,0|2,0,0]=4 1547 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [2,0,0,0,0,0|2,0,0]=4 1548 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [2,0,0,0,0,0|2,0,0]=4 1549 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [2,0,0,0,0,0|2,0,0]=4 1550 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [2,0,0,0,0,0|2,0,0]=4 1551 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [2,0,0,0,0,0|2,0,0]=4 1552 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [2,0,0,0,0,0|2,0,0]=4 1553 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [2,0,0,0,0,0|2,0,0]=4 1554 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [2,0,0,0,0,0|2,0,0]=4 1555 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [2,0,0,0,0,0|2,0,0]=4 1556 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [2,0,0,0,0,0|2,0,0]=4 1557 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [2,0,0,0,0,0|2,0,0]=4 1558 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [2,0,0,0,0,0|1,0,0]=3 1559 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [2,0,0,0,0,0|2,0,0]=4 1560 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [2,0,0,0,0,0|2,0,0]=4 1561 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [2,0,0,0,0,0|2,0,0]=4 1562 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [2,0,0,0,0,0|1,0,1]=4 1563 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [2,0,0,0,0,0|2,0,0]=4 1564 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [2,0,0,0,0,0|2,0,0]=4 1565 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [2,0,0,0,0,0|1,0,1]=4 1566 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [2,0,0,0,0,0|1,0,1]=4 1567 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [2,0,0,0,0,0|2,0,0]=4 1568 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [2,0,0,0,0,0|2,0,0]=4 1569 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [2,0,0,0,0,0|2,0,0]=4 1570 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [2,0,0,0,0,0|2,0,0]=4 1571 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [2,0,0,0,0,0|2,0,0]=4 1572 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [2,0,0,0,0,0|2,0,0]=4 1573 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [2,0,0,0,0,0|2,0,0]=4 1574 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [2,0,0,0,0,0|2,0,0]=4 1575 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,0]=3 1576 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,0]=3 1577 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,0]=3 1578 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1579 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1580 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [2,0,0,0,0,0|2,0,0]=4 1581 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [2,0,0,0,0,0|2,0,0]=4 1582 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [2,0,0,0,0,0|2,0,0]=4 1583 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [2,0,0,0,0,0|2,0,0]=4 1584 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [2,0,0,0,0,0|1,0,0]=3 1585 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 1586 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 1587 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [2,0,0,0,0,0|2,0,0]=4 1588 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [2,0,0,0,0,0|1,0,1]=4 1589 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [2,0,0,0,0,0|2,0,0]=4 1590 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [2,0,0,0,0,0|2,0,0]=4 1591 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [2,0,0,0,0,0|1,0,1]=4 1592 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [2,0,0,0,0,0|1,0,1]=4 1593 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|2,0,0]=4 1594 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [2,0,0,0,0,0|2,0,0]=4 1595 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [2,0,0,0,0,0|2,0,0]=4 1596 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [2,0,0,0,0,0|2,0,0]=4 1597 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|2,0,0]=4 1598 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|2,0,0]=4 1599 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|2,0,0]=4 1600 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|2,0,0]=4 1601 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|2,0,0]=4 1602 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|2,0,0]=4 1603 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|2,0,0]=4 1604 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|2,0,0]=4 1605 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|2,0,0]=4 1606 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|2,0,0]=4 1607 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [2,0,0,0,0,0|2,0,0]=4 1608 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [2,0,0,0,0,0|2,0,0]=4 1609 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [2,0,0,0,0,0|2,0,0]=4 1610 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [2,0,0,0,0,0|2,0,0]=4 1611 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 1612 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [2,0,0,0,0,0|2,0,0]=4 1613 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [2,0,0,0,0,0|2,0,0]=4 1614 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [2,0,0,0,0,0|2,0,0]=4 1615 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [2,0,0,0,0,0|2,0,0]=4 1616 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [2,0,0,0,0,0|2,0,0]=4 1617 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [2,0,0,0,0,0|2,0,0]=4 1618 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [2,0,0,0,0,0|2,0,0]=4 1619 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [2,0,0,0,0,0|2,0,0]=4 1620 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [2,0,0,0,0,0|2,0,0]=4 1621 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 1622 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [2,0,0,0,0,0|2,0,0]=4 1623 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [2,0,0,0,0,0|2,0,0]=4 1624 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [2,0,0,0,0,0|2,0,0]=4 1625 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [2,0,0,0,0,0|2,0,0]=4 1626 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [2,0,0,0,0,0|2,0,0]=4 1627 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 1628 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [2,0,0,0,0,0|2,0,0]=4 1629 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [2,0,0,0,0,0|2,0,0]=4 1630 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [2,0,0,0,0,0|2,0,0]=4 1631 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 1632 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [2,0,0,0,0,0|2,0,0]=4 1633 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [2,0,0,0,0,0|2,0,0]=4 1634 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [2,0,0,0,0,0|2,0,0]=4 1635 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [2,0,0,0,0,0|1,0,1]=4 1636 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [2,0,0,0,0,0|2,0,0]=4 1637 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [2,0,0,0,0,0|2,0,0]=4 1638 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [2,0,0,0,0,0|2,0,0]=4 1639 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [2,0,0,0,0,0|2,0,0]=4 1640 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [2,0,0,0,0,0|2,0,0]=4 1641 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [2,0,0,0,0,0|2,0,0]=4 1642 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 1643 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [2,0,0,0,0,0|2,0,0]=4 1644 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [2,0,0,0,0,0|1,0,1]=4 1645 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [2,0,0,0,0,0|2,0,0]=4 1646 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [2,0,0,0,0,0|2,0,0]=4 1647 B11R0.36 C=CCCN(CCCC)C(C)C 2230a_100000207398_100000754431 [1,1,0,0,0,0|2,0,0]=4 1648 B11R0.36 C=CCCN(CCCC)C(C)C 269982a_100000207398_100000754431 [1,1,0,0,0,0|2,0,0]=4 1649 B11R0.36 C=CCNC(CCCC)C(C)C 270004a_100020586998_200011215219 [1,1,0,0,0,0|2,0,0]=4 1650 B11R0.36 CCCCC(NCCO)C(C)C 270004a_100000210304_200011215219 [1,1,0,0,0,0|1,0,1]=4 1651 B11R0.36 CCCCN(CCCO)C(C)C 2230a_100000182298_100000210211 [1,1,0,0,0,0|1,0,1]=4 1652 B11R0.36 CCCCN(CCCO)C(C)C 2230a_100000207398_100000230001 [1,1,0,0,0,0|1,0,1]=4 1653 B11R0.36 CCCCN(CCCO)C(C)C 269982a_100000182298_100000210211 [1,1,0,0,0,0|1,0,1]=4 1654 B11R0.36 CCCCN(CCCO)C(C)C 269982a_100000207398_100011215043 [1,1,0,0,0,0|1,0,1]=4 1655 B11R0.152 C#CCCNC(CC)CCCC 34a_100000755551_200011216223 [1,1,0,0,0,0|1,0,1]=4 1656 B11R0.152 C#CCCOC(CC)CCCC 34a_100011215227_100000688953 [1,1,0,0,0,0|1,0,1]=4 1657 B11R0.152 C#CCCOC(CC)CCCC 34a_100011215631_200011216223 [1,1,0,0,0,0|1,0,1]=4 1658 B11R0.152 C#CCCOC(CC)CCCC 7a_100011215227_100000688953 [1,1,0,0,0,0|1,0,1]=4 1659 B11R0.152 C#CCCSC(CC)CCCC 62a_100000688953_200011216223 [1,1,0,0,0,0|1,0,1]=4 1660 B11R0.152 C#CCCSC(CC)CCCC 62a_200011216223_100000688953 [1,1,0,0,0,0|1,0,1]=4 1661 B11R0.152 C#CCNCC(CC)CCCC 2230a_100000209976_100000038162 [1,1,0,0,0,0|1,0,1]=4 1662 B11R0.152 C#CCNCC(CC)CCCC 34a_100000212058_100000211942 [1,1,0,0,0,0|1,0,1]=4 1663 B11R0.152 C#CCOCC(CC)CCCC 34a_100000210247_100000211942 [1,1,0,0,0,0|1,0,1]=4 1664 B11R0.152 C#CCOCC(CC)CCCC 34a_100000210273_100000184674 [1,1,0,0,0,0|1,0,1]=4 1665 B11R0.152 C#CCOCC(CC)CCCC 7a_100000210273_100000038162 [1,1,0,0,0,0|1,0,1]=4 1666 B11R0.152 C#CCSCC(CC)CCCC 62a_100000038162_100000211942 [1,1,0,0,0,0|1,0,1]=4 1667 B11R0.152 C/C=C/COC(CC)CCCC 34a_100011215227_100102629194 [1,1,0,0,0,0|1,0,1]=4 1668 B11R0.152 C/C=C/COC(CC)CCCC 34a_100016270725_200011216223 [1,1,0,0,0,0|1,0,1]=4 1669 B11R0.152 C/C=C/COC(CC)CCCC 7a_100011215227_100102629194 [1,1,0,0,0,0|1,0,1]=4 1670 B11R0.152 C/C=C/CSC(CC)CCCC 62a_100102629194_200011216223 [1,1,0,0,0,0|1,0,1]=4 1671 B11R0.152 C/C=C/CSC(CC)CCCC 62a_200011216223_100102629194 [1,1,0,0,0,0|1,0,1]=4 1672 B11R0.152 C=CCCCN(CC)CCCC 2230a_100000207695_100011713584 [1,1,0,0,0,0|2,0,0]=4 1673 B11R0.152 C=CCCCN(CC)CCCC 269982a_100000207695_100000757094 [1,1,0,0,0,0|2,0,0]=4 1674 B11R0.152 C=CCCN(CC)CCCCO 2230a_100011217355_100000754431 [1,1,0,0,0,0|2,0,0]=4 1675 B11R0.152 C=CCCN(CC)CCCCO 269982a_100011217355_100000754431 [1,1,0,0,0,0|2,0,0]=4 1676 B11R0.152 C=CCCNC(CC)CCCC 270004a_100015191253_100000753412 [1,1,0,0,0,0|1,0,0]=3 1677 B11R0.152 C=CCCN[C@H](CO)CCCC 2230a_100011934283_100000754431 [1,1,0,0,0,0|2,0,0]=4 1678 B11R0.152 C=CCCN[C@H](CO)CCCC 34a_100011934283_100000754431 [1,1,0,0,0,0|2,0,0]=4 1679 B11R0.152 C=CCCOC(CC)CCCC 34a_100011205117_200011216223 [1,1,0,0,0,0|1,0,0]=3 1680 B11R0.152 C=CCCOC(CC)CCCC 34a_100011215227_100000754431 [1,1,0,0,0,0|1,0,0]=3 1681 B11R0.152 C=CCCOC(CC)CCCC 7a_100011215227_100000754431 [1,1,0,0,0,0|1,0,0]=3 1682 B11R0.152 C=CCCSC(CC)CCCC 62a_100000754431_200011216223 [1,1,0,0,0,0|1,0,0]=3 1683 B11R0.152 C=CCCSC(CC)CCCC 62a_200011216223_100000754431 [1,1,0,0,0,0|1,0,0]=3 1684 B11R0.152 C=CCNC(CC)CCCCC 270004a_100020586998_100011215316 [1,1,0,0,0,0|2,0,0]=4 1685 B11R0.152 C=CCNCC(CC)CCCC 2230a_100000209976_100000210623 [1,1,0,0,0,0|1,0,0]=3 1686 B11R0.152 C=CCNCC(CC)CCCC 2230a_100020586998_100000211942 [1,1,0,0,0,0|1,0,0]=3 1687 B11R0.152 C=CCNCC(CC)CCCC 270004a_100020586998_100011219736 [1,1,0,0,0,0|1,0,0]=3 1688 B11R0.152 C=CCOC(CC)CCCCC 34a_100011215405_100015514636 [1,1,0,0,0,0|2,0,0]=4 1689 B11R0.152 C=CCOC(CC)CCCCC 7a_100011215405_100015514636 [1,1,0,0,0,0|2,0,0]=4 1690 B11R0.152 C=CCOCC(CC)CCCC 34a_100000210273_100015514636 [1,1,0,0,0,0|1,0,0]=3 1691 B11R0.152 C=CCOCC(CC)CCCC 34a_200000210373_100000211942 [1,1,0,0,0,0|1,0,0]=3 1692 B11R0.152 C=CCOCC(CC)CCCC 7a_100000210273_100015514636 [1,1,0,0,0,0|1,0,0]=3 1693 B11R0.152 C=CCSCC(CC)CCCC 62a_100000210623_100000211942 [1,1,0,0,0,0|1,0,0]=3 1694 B11R0.152 C=CCSCC(CC)CCCC 62a_100000211942_100000210623 [1,1,0,0,0,0|1,0,0]=3 1695 B11R0.152 C=COCCN(CC)CCCC 2230a_100000207695_100000039644 [1,1,0,0,0,0|2,0,0]=4 1696 B11R0.152 C=COCCN(CC)CCCC 269982a_100000207695_100000039644 [1,1,0,0,0,0|2,0,0]=4 1697 B11R0.152 CC=CCOC(CC)CCCC 34a_100011215227_100000070051 [1,1,0,0,0,0|1,0,1]=4 1698 B11R0.152 CC=CCOC(CC)CCCC 7a_100011215227_100000070051 [1,1,0,0,0,0|1,0,1]=4 1699 B11R0.152 CC=CCSC(CC)CCCC 62a_100000070051_200011216223 [1,1,0,0,0,0|1,0,1]=4 1700 B11R0.152 CC=CCSC(CC)CCCC 62a_200011216223_100000070051 [1,1,0,0,0,0|1,0,1]=4 1701 B11R0.152 CCC/C=C(\CC)/COCC=O 34a_200015372368_200009817547 [1,1,0,0,0,0|0,0,2]=4 1702 B11R0.152 CCC/C=C(\CC)/COCC=O 7a_200015372368_200015260668 [1,1,0,0,0,0|0,0,2]=4 1703 B11R0.152 CCCCC(CC)CNCC#N 2230a_100000209976_100011215382 [1,1,0,0,0,0|1,0,1]=4 1704 B11R0.152 CCCCC(CC)CNCC=O 2230a_100000209976_200015260668 [1,1,0,0,0,0|0,0,0]=2 1705 B11R0.152 CCCCC(CC)CNCCC 2230a_100000209976_100000210303 [1,1,0,0,0,0|1,0,1]=4 1706 B11R0.152 CCCCC(CC)CNCCC 269862a_100020643023_100011219736 [1,1,0,0,0,0|1,0,1]=4 1707 B11R0.152 CCCCC(CC)CNCCC 270004a_100020643023_100011219736 [1,1,0,0,0,0|1,0,1]=4 1708 B11R0.152 CCCCC(CC)CNCCF 2230a_100000209976_100011217306 [1,1,0,0,0,0|1,0,1]=4 1709 B11R0.152 CCCCC(CC)CNCCF 269862a_100000724931_100011219736 [1,1,0,0,0,0|1,0,1]=4 1710 B11R0.152 CCCCC(CC)CNCCF 34a_100000724931_100000211942 [1,1,0,0,0,0|1,0,1]=4 1711 B11R0.152 CCCCC(CC)CNCCO 2230a_100000209976_100000211926 [1,1,0,0,0,0|0,0,1]=3 1712 B11R0.152 CCCCC(CC)CNCCO 2230a_100016997473_100000211942 [1,1,0,0,0,0|0,0,1]=3 1713 B11R0.152 CCCCC(CC)CNCCO 269862a_100000210304_100011219736 [1,1,0,0,0,0|0,0,1]=3 1714 B11R0.152 CCCCC(CC)CNCCO 270004a_100000210304_100011219736 [1,1,0,0,0,0|0,0,1]=3 1715 B11R0.152 CCCCC(CC)CNCCO 34a_100016990907_100000211942 [1,1,0,0,0,0|0,0,1]=3 1716 B11R0.152 CCCCC(CC)CNCOC 2230a_100000209976_100000766300 [1,1,0,0,0,0|1,0,1]=4 1717 B11R0.152 CCCCC(CC)CNCSC 2230a_100000209976_100011218213 [1,1,0,0,0,0|2,0,0]=4 1718 B11R0.152 CCCCC(CC)COCC#N 7a_100000210273_100011215382 [1,1,0,0,0,0|1,0,1]=4 1719 B11R0.152 CCCCC(CC)COCC=O 34a_100000210273_200009817547 [1,1,0,0,0,0|0,0,0]=2 1720 B11R0.152 CCCCC(CC)COCC=O 7a_100000210273_200015260668 [1,1,0,0,0,0|0,0,0]=2 1721 B11R0.152 CCCCC(CC)COCCBr 34a_100000211926_100000211942 [1,1,0,0,0,0|1,0,1]=4 1722 B11R0.152 CCCCC(CC)COCCC 34a_100000210258_100000211942 [1,1,0,0,0,0|1,0,1]=4 1723 B11R0.152 CCCCC(CC)COCCC 34a_100000210273_100000210303 [1,1,0,0,0,0|1,0,1]=4 1724 B11R0.152 CCCCC(CC)COCCC 7a_100000210273_100000210303 [1,1,0,0,0,0|1,0,1]=4 1725 B11R0.152 CCCCC(CC)COCCF 34a_100000210273_100011217306 [1,1,0,0,0,0|1,0,1]=4 1726 B11R0.152 CCCCC(CC)COCCF 7a_100000210273_100011217306 [1,1,0,0,0,0|1,0,1]=4 1727 B11R0.152 CCCCC(CC)COCCN 34a_100000210304_100000211942 [1,1,0,0,0,0|1,0,1]=4 1728 B11R0.152 CCCCC(CC)COCCO 34a_100000210273_100000211926 [1,1,0,0,0,0|0,0,1]=3 1729 B11R0.152 CCCCC(CC)COCCO 7a_100000210273_100000211926 [1,1,0,0,0,0|0,0,1]=3 1730 B11R0.152 CCCCC(CC)COCSC 34a_100000210273_100011218213 [1,1,0,0,0,0|2,0,0]=4 1731 B11R0.152 CCCCC(CC)CSCC#N 62a_100000211942_100011215382 [1,1,0,0,0,0|1,0,1]=4 1732 B11R0.152 CCCCC(CC)CSCC#N 62a_100011215382_100000211942 [1,1,0,0,0,0|1,0,1]=4 1733 B11R0.152 CCCCC(CC)CSCC=O 62a_100000211942_200015260668 [1,1,0,0,0,0|0,0,0]=2 1734 B11R0.152 CCCCC(CC)CSCC=O 62a_200015260668_100000211942 [1,1,0,0,0,0|0,0,0]=2 1735 B11R0.152 CCCCC(CC)CSCCC 62a_100000210303_100000211942 [1,1,0,0,0,0|1,0,1]=4 1736 B11R0.152 CCCCC(CC)CSCCC 62a_100000211942_100000210303 [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.152 CCCCC(CC)CSCCF 62a_100000211942_100011217306 [1,1,0,0,0,0|1,0,1]=4 1738 B11R0.152 CCCCC(CC)CSCCF 62a_100011217306_100000211942 [1,1,0,0,0,0|1,0,1]=4 1739 B11R0.152 CCCCC(CC)CSCCO 62a_100000211926_100000211942 [1,1,0,0,0,0|0,0,1]=3 1740 B11R0.152 CCCCC(CC)CSCCO 62a_100000211942_100000211926 [1,1,0,0,0,0|0,0,1]=3 1741 B11R0.152 CCCCC(CC)CSCOC 62a_100000211942_100000766300 [1,1,0,0,0,0|1,0,1]=4 1742 B11R0.152 CCCCC(CC)CSCOC 62a_100000766300_100000211942 [1,1,0,0,0,0|1,0,1]=4 1743 B11R0.152 CCCCC(CC)CSCSC 62a_100000211942_100011218213 [1,1,0,0,0,0|2,0,0]=4 1744 B11R0.152 CCCCC(CC)CSCSC 62a_100011218213_100000211942 [1,1,0,0,0,0|2,0,0]=4 1745 B11R0.152 CCCCC(CC)NCCC#N 270004a_100000720768_100000753412 [1,1,0,0,0,0|1,0,1]=4 1746 B11R0.152 CCCCC(CC)NCCCF 270004a_100015189416_100000753412 [1,1,0,0,0,0|1,0,1]=4 1747 B11R0.152 CCCCC(CC)NCCCF 34a_100015189416_200011216223 [1,1,0,0,0,0|1,0,1]=4 1748 B11R0.152 CCCCC(CC)NCCCO 270004a_100000182051_100000753412 [1,1,0,0,0,0|0,0,1]=3 1749 B11R0.152 CCCCC(CC)NCCOC 270004a_100000209980_100000753412 [1,1,0,0,0,0|1,0,1]=4 1750 B11R0.152 CCCCC(CC)NCCSC 270004a_100020590264_100000753412 [1,1,0,0,0,0|2,0,0]=4 1751 B11R0.152 CCCCC(CC)OCCC#N 7a_100011215227_100000184422 [1,1,0,0,0,0|1,0,1]=4 1752 B11R0.152 CCCCC(CC)OCCCBr 34a_100011217188_200011216223 [1,1,0,0,0,0|1,0,1]=4 1753 B11R0.152 CCCCC(CC)OCCCCl 34a_100000230001_200011216223 [1,1,0,0,0,0|1,0,1]=4 1754 B11R0.152 CCCCC(CC)OCCCF 34a_100000759539_200011216223 [1,1,0,0,0,0|1,0,1]=4 1755 B11R0.152 CCCCC(CC)OCCCF 34a_100011215227_100011934791 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.152 CCCCC(CC)OCCCF 7a_100011215227_100011934791 [1,1,0,0,0,0|1,0,1]=4 1757 B11R0.152 CCCCC(CC)OCCCN 34a_100000182051_200011216223 [1,1,0,0,0,0|1,0,1]=4 1758 B11R0.152 CCCCC(CC)OCCCO 34a_100011215227_100000230001 [1,1,0,0,0,0|0,0,1]=3 1759 B11R0.152 CCCCC(CC)OCCCO 7a_100011215227_100011215043 [1,1,0,0,0,0|0,0,1]=3 1760 B11R0.152 CCCCC(CC)OCCOC 34a_100000210237_200011216223 [1,1,0,0,0,0|1,0,1]=4 1761 B11R0.152 CCCCC(CC)OCCOC 34a_100011215227_100011201679 [1,1,0,0,0,0|1,0,1]=4 1762 B11R0.152 CCCCC(CC)OCCOC 7a_100011215227_100000233755 [1,1,0,0,0,0|1,0,1]=4 1763 B11R0.152 CCCCC(CC)OCCON 34a_100000700252_200011216223 [1,1,0,0,0,0|1,0,1]=4 1764 B11R0.152 CCCCC(CC)OCCSC 34a_100000230434_200011216223 [1,1,0,0,0,0|2,0,0]=4 1765 B11R0.152 CCCCC(CC)OCCSC 34a_100011215227_100000212216 [1,1,0,0,0,0|2,0,0]=4 1766 B11R0.152 CCCCC(CC)OCCSC 7a_100000230434_200011216223 [1,1,0,0,0,0|2,0,0]=4 1767 B11R0.152 CCCCC(CC)OCCSC 7a_100011215227_100000212216 [1,1,0,0,0,0|2,0,0]=4 1768 B11R0.152 CCCCC(CC)SCCC#N 62a_100011215226_200011216223 [1,1,0,0,0,0|1,0,1]=4 1769 B11R0.152 CCCCC(CC)SCCC#N 62a_200011216223_100011215226 [1,1,0,0,0,0|1,0,1]=4 1770 B11R0.152 CCCCC(CC)SCCCF 62a_100011934791_200011216223 [1,1,0,0,0,0|1,0,1]=4 1771 B11R0.152 CCCCC(CC)SCCCF 62a_200011216223_100011934791 [1,1,0,0,0,0|1,0,1]=4 1772 B11R0.152 CCCCC(CC)SCCCO 62a_100011215043_200011216223 [1,1,0,0,0,0|0,0,1]=3 1773 B11R0.152 CCCCC(CC)SCCCO 62a_200011216223_100011215043 [1,1,0,0,0,0|0,0,1]=3 1774 B11R0.152 CCCCC(CC)SCCOC 62a_100000233755_200011216223 [1,1,0,0,0,0|1,0,1]=4 1775 B11R0.152 CCCCC(CC)SCCOC 62a_200011216223_100000233755 [1,1,0,0,0,0|1,0,1]=4 1776 B11R0.152 CCCCC(CC)SCCSC 62a_100000212216_200011216223 [1,1,0,0,0,0|2,0,0]=4 1777 B11R0.152 CCCCC(CC)SCCSC 62a_200011216223_100000751147 [1,1,0,0,0,0|2,0,0]=4 1778 B11R0.152 CCCCCC(CC)NCCO 270004a_100000210304_100011215316 [1,1,0,0,0,0|1,0,1]=4 1779 B11R0.152 CCCCCC(CC)OCC=O 34a_100011215405_200009817547 [1,1,0,0,0,0|1,0,0]=3 1780 B11R0.152 CCCCCC(CC)OCC=O 7a_100011215405_200015260668 [1,1,0,0,0,0|1,0,0]=3 1781 B11R0.152 CCCCCC(CC)OCCO 34a_100011215405_100000211926 [1,1,0,0,0,0|1,0,1]=4 1782 B11R0.152 CCCCCC(CC)OCCO 7a_100011215405_100000211926 [1,1,0,0,0,0|1,0,1]=4 1783 B11R0.152 CCCCN(CC)CCCC=O 2230a_100000207695_200011292268 [1,1,0,0,0,0|1,0,0]=3 1784 B11R0.152 CCCCN(CC)CCCC=O 269982a_100000207695_200011292268 [1,1,0,0,0,0|1,0,0]=3 1785 B11R0.152 CCCCN(CC)CCCCO 2230a_100000207695_100000210776 [1,1,0,0,0,0|1,0,1]=4 1786 B11R0.152 CCCCN(CC)CCCCO 2230a_100011217355_100000210211 [1,1,0,0,0,0|1,0,1]=4 1787 B11R0.152 CCCCN(CC)CCCCO 2230a_200011216965_100000210202 [1,1,0,0,0,0|1,0,1]=4 1788 B11R0.152 CCCCN(CC)CCCCO 269982a_100000207695_100000210776 [1,1,0,0,0,0|1,0,1]=4 1789 B11R0.152 CCCCN(CC)CCCCO 269982a_100011217355_100000210211 [1,1,0,0,0,0|1,0,1]=4 1790 B11R0.152 CCCCN(CC)CCCCO 269982a_200011216965_100000204670 [1,1,0,0,0,0|1,0,1]=4 1791 B11R0.152 CCCCN(CC)CCCOC 2230a_100000207695_100000740836 [1,1,0,0,0,0|1,0,1]=4 1792 B11R0.152 CCCCN(CC)CCCOC 269982a_100000207695_100000740836 [1,1,0,0,0,0|1,0,1]=4 1793 B11R0.152 CCCCNC(CC)CCCC 270004a_100000102301_100000753412 [1,1,0,0,0,0|1,0,1]=4 1794 B11R0.152 CCCCNC(CC)CCCC 7a_106832991798_200011216223 [1,1,0,0,0,0|1,0,1]=4 1795 B11R0.152 CCCCOC(CC)CCCC 34a_100000210227_200011216223 [1,1,0,0,0,0|1,0,1]=4 1796 B11R0.152 CCCCOC(CC)CCCC 34a_100011215227_100000210210 [1,1,0,0,0,0|1,0,1]=4 1797 B11R0.152 CCCCOC(CC)CCCC 7a_100000210227_200011216223 [1,1,0,0,0,0|1,0,1]=4 1798 B11R0.152 CCCCOC(CC)CCCC 7a_100011215227_100000210211 [1,1,0,0,0,0|1,0,1]=4 1799 B11R0.152 CCCCSC(CC)CCCC 62a_100000210211_200011216223 [1,1,0,0,0,0|1,0,1]=4 1800 B11R0.152 CCCCSC(CC)CCCC 62a_200011216223_100000210210 [1,1,0,0,0,0|1,0,1]=4 1801 B11R0.152 CCCC[C@@H](CO)NCCCO 2230a_100011934283_100000230001 [1,1,0,0,0,0|1,0,1]=4 1802 B11R0.152 CCCC[C@@H](CO)NCCCO 34a_100011934283_100000230001 [1,1,0,0,0,0|1,0,1]=4 1803 B11R0.152 CCN(CCCC=O)CCOC 2230a_100000731262_200011292268 [1,1,0,0,0,0|2,0,0]=4 1804 B11R0.152 CCN(CCCC=O)CCOC 269982a_100000731262_200011292268 [1,1,0,0,0,0|2,0,0]=4 1805 B11R0.152 CCN(CCCO)CCCCO 2230a_100011217355_100000230001 [1,1,0,0,0,0|1,0,1]=4 1806 B11R0.152 CCN(CCCO)CCCCO 269982a_100011217355_100011215043 [1,1,0,0,0,0|1,0,1]=4 1807 B11R0.158 C=CCC(CCCC)OCC=O 34a_200011216941_200009817547 [1,1,0,0,0,0|1,0,1]=4 1808 B11R0.158 C=CCC(CCCC)OCC=O 7a_200011216941_200015260668 [1,1,0,0,0,0|1,0,1]=4 1809 B11R0.158 C=CCCN(CCC)CCCC 2230a_200000207744_100000754431 [1,1,0,0,0,0|2,0,0]=4 1810 B11R0.158 C=CCCN(CCC)CCCC 269982a_200000207744_100000754431 [1,1,0,0,0,0|2,0,0]=4 1811 B11R0.158 C=CCCN(CCO)CCCC 2230a_100000198060_100000754431 [1,1,0,0,0,0|2,0,0]=4 1812 B11R0.158 C=CCCN(CCO)CCCC 269982a_100000198060_100000754431 [1,1,0,0,0,0|2,0,0]=4 1813 B11R0.158 C=CCOC(CCC)CCCC 34a_100011215800_100015514636 [1,1,0,0,0,0|2,0,0]=4 1814 B11R0.158 C=CCOC(CCC)CCCC 34a_200000210373_100000211913 [1,1,0,0,0,0|2,0,0]=4 1815 B11R0.158 C=CCOC(CCC)CCCC 7a_100011215800_100015514636 [1,1,0,0,0,0|2,0,0]=4 1816 B11R0.158 C=CCSC(CCC)CCCC 62a_100000210623_100000211913 [1,1,0,0,0,0|2,0,0]=4 1817 B11R0.158 C=CCSC(CCC)CCCC 62a_100000211913_100000210623 [1,1,0,0,0,0|2,0,0]=4 1818 B11R0.158 CCCCC(CCC)NCCO 34a_100016990907_100000211913 [1,1,0,0,0,0|1,0,1]=4 1819 B11R0.158 CCCCC(CCC)OCC=O 34a_100011215800_200009817547 [1,1,0,0,0,0|1,0,0]=3 1820 B11R0.158 CCCCC(CCC)OCC=O 7a_100011215800_200015260668 [1,1,0,0,0,0|1,0,0]=3 1821 B11R0.158 CCCCC(CCC)OCCO 34a_100011215800_100000211926 [1,1,0,0,0,0|1,0,1]=4 1822 B11R0.158 CCCCC(CCC)OCCO 7a_100011215800_100000211926 [1,1,0,0,0,0|1,0,1]=4 1823 B11R0.158 CCCCC(CCC)SCC=O 62a_100000211913_200015260668 [1,1,0,0,0,0|1,0,0]=3 1824 B11R0.158 CCCCC(CCC)SCC=O 62a_200015260668_100000211913 [1,1,0,0,0,0|1,0,0]=3 1825 B11R0.158 CCCCC(CCC)SCCO 62a_100000211913_100000211926 [1,1,0,0,0,0|1,0,1]=4 1826 B11R0.158 CCCCC(CCC)SCCO 62a_100000211926_100000211913 [1,1,0,0,0,0|1,0,1]=4 1827 B11R0.158 CCCCC(CCCC)NCC 2230a_200011995792_100000210202 [1,1,0,0,0,0|1,0,1]=4 1828 B11R0.158 CCCCC(CCCC)NCC 270004a_100015525214_100011218081 [1,1,0,0,0,0|1,0,1]=4 1829 B11R0.158 CCCCC(CCCC)NCC 34a_200011995792_100000210202 [1,1,0,0,0,0|1,0,1]=4 1830 B11R0.158 CCCCC(CCCC)OCC 34a_200011215786_100000210202 [1,1,0,0,0,0|1,0,1]=4 1831 B11R0.158 CCCCC(CCCC)OCC 7a_200011215786_100000210202 [1,1,0,0,0,0|1,0,1]=4 1832 B11R0.158 CCCCN(CCC)CCCO 2230a_200000207744_100000230001 [1,1,0,0,0,0|1,0,1]=4 1833 B11R0.158 CCCCN(CCC)CCCO 269982a_200000207744_100011215043 [1,1,0,0,0,0|1,0,1]=4 1834 B11R0.158 CCCCN(CCO)CCCO 2230a_100000198060_100000230001 [1,1,0,0,0,0|1,0,1]=4 1835 B11R0.158 CCCCN(CCO)CCCO 2230a_200000212863_100000210211 [1,1,0,0,0,0|1,0,1]=4 1836 B11R0.158 CCCCN(CCO)CCCO 269982a_100000198060_100011215043 [1,1,0,0,0,0|1,0,1]=4 1837 B11R0.158 CCCCN(CCO)CCCO 269982a_200000212863_100000210211 [1,1,0,0,0,0|1,0,1]=4 1838 B11R0.166 C=CC(=O)CC(CC)CCCC 1458a_100000185746_100000211942 [1,1,0,0,0,0|1,0,1]=4 1839 B11R0.166 C=CC(C)OC(CC)CCCC 34a_100000695699_200011216223 [1,1,0,0,0,0|2,0,0]=4 1840 B11R0.166 C=CC(C)SC(CC)CCCC 62a_100011215867_200011216223 [1,1,0,0,0,0|2,0,0]=4 1841 B11R0.166 C=CC(O)CN(CC)CCCC 2230a_100000207695_100000730141 [1,1,0,0,0,0|2,0,0]=4 1842 B11R0.166 C=CCCN(CC)CC(O)CC 2230a_100011365200_100000754431 [1,1,0,0,0,0|2,0,0]=4 1843 B11R0.166 C=CCCN(CC)CC(O)CC 269982a_100011365200_100000754431 [1,1,0,0,0,0|2,0,0]=4 1844 B11R0.166 C=CCNC(CC)CC(C)CC 270004a_100020586998_100000184709 [1,1,0,0,0,0|2,0,0]=4 1845 B11R0.166 C=CCOC(CC)CC(C)CC 7a_200011216566_100015514636 [1,1,0,0,0,0|2,0,0]=4 1846 B11R0.166 CCC(C)CC(CC)NCCO 270004a_100000210304_100000184709 [1,1,0,0,0,0|1,0,1]=4 1847 B11R0.166 CCC(C)CC(CC)OCC=O 7a_200011216566_200015260668 [1,1,0,0,0,0|1,0,0]=3 1848 B11R0.166 CCC(C)CC(CC)OCCO 7a_200011216566_100000211926 [1,1,0,0,0,0|1,0,1]=4 1849 B11R0.166 CCC(O)CN(CC)CCCO 2230a_100011365200_100000230001 [1,1,0,0,0,0|1,0,1]=4 1850 B11R0.166 CCC(O)CN(CC)CCCO 269982a_100011365200_100011215043 [1,1,0,0,0,0|1,0,1]=4 1851 B11R0.166 CCCCC(CC)CC(=O)CO 1458a_100000210174_100000211942 [1,1,0,0,0,0|0,0,2]=4 1852 B11R0.166 CCCCC(CC)CC(C)OC 7a_200011290772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1853 B11R0.166 CCCCC(CC)CC(C)O[13CH3] 7a_200011290772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1854 B11R0.166 CCCCC(CC)N[C@H](C)CO 270004a_100000737577_100000753412 [1,1,0,0,0,0|1,0,1]=4 1855 B11R0.166 CCCCC(CC)OC(C)CO 34a_100011215227_100012180447 [1,1,0,0,0,0|1,0,1]=4 1856 B11R0.166 CCCCC(CC)OC(C)CO 7a_100011215227_100012180447 [1,1,0,0,0,0|1,0,1]=4 1857 B11R0.166 CCCCC(CC)SC(C)CO 62a_100012180447_200011216223 [1,1,0,0,0,0|1,0,1]=4 1858 B11R0.166 CCCCC(CC)S[C@H](C)CO 62a_100016084084_200011216223 [1,1,0,0,0,0|1,0,1]=4 1859 B11R0.166 CCCCC(CC)S[C@H](C)CO 62a_200011216223_100016084084 [1,1,0,0,0,0|1,0,1]=4 1860 B11R0.166 CCCCN(CC)CC(O)CO 2230a_100000207695_100011219619 [1,1,0,0,0,0|1,0,1]=4 1861 B11R0.166 CCCCN(CC)C[C@@H](C)CO 2230a_100000207695_100000059175 [1,1,0,0,0,0|1,0,1]=4 1862 B11R0.166 CCCCN(CC)C[C@@H](C)CO 269982a_100000207695_100000059175 [1,1,0,0,0,0|1,0,1]=4 1863 B11R0.166 CCCCN(CC)C[C@@H](O)CO 2230a_100000207695_100009815848 [1,1,0,0,0,0|1,0,1]=4 1864 B11R0.191 C=CCC(=O)C(CC)CCCC 1458a_100000210193_200011216223 [1,1,0,0,0,0|1,0,1]=4 1865 B11R0.191 C=CCC(=O)C(CC)CCCC 1458a_100000211130_100000210623 [1,1,0,0,0,0|1,0,1]=4 1866 B11R0.191 C=CCN(C)C(CC)CCCC 269982a_100000225617_200011216223 [1,1,0,0,0,0|2,0,0]=4 1867 B11R0.191 C=CCN(C)C(CC)CCCC 270004a_100000225617_100000753412 [1,1,0,0,0,0|2,0,0]=4 1868 B11R0.191 C=CCOC(CC)C(C)CCC 34a_200011218412_100015514636 [1,1,0,0,0,0|2,0,0]=4 1869 B11R0.191 C=CCOC(CC)C(C)CCC 7a_200011218412_100015514636 [1,1,0,0,0,0|2,0,0]=4 1870 B11R0.191 CCCC(C)C(CC)OCC=O 34a_200011218412_200009817547 [1,1,0,0,0,0|1,0,0]=3 1871 B11R0.191 CCCC(C)C(CC)OCC=O 7a_200011218412_200015260668 [1,1,0,0,0,0|1,0,0]=3 1872 B11R0.191 CCCC(C)C(CC)OCCO 34a_200011218412_100000211926 [1,1,0,0,0,0|1,0,1]=4 1873 B11R0.191 CCCC(C)C(CC)OCCO 7a_200011218412_100000211926 [1,1,0,0,0,0|1,0,1]=4 1874 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100000211130_100000211926 [1,1,0,0,0,0|0,0,2]=4 1875 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100011216618_200011216223 [1,1,0,0,0,0|0,0,2]=4 1876 B11R0.191 CCCCC(CC)N(C)CCO 269982a_100000210263_200011216223 [1,1,0,0,0,0|1,0,1]=4 1877 B11R0.191 CCCCC(CC)N(C)CCO 270004a_100000210263_100000753412 [1,1,0,0,0,0|1,0,1]=4 1878 B11R0.191 CCCCN(CC)C(C)CCO 2230a_100000207695_100009893172 [1,1,0,0,0,0|1,0,1]=4 1879 B11R0.191 CCCCN(CC)C(C)CCO 2230a_100011935059_100000210211 [1,1,0,0,0,0|1,0,1]=4 1880 B11R0.191 CCCCN(CC)C(C)CCO 269982a_100000207695_100009893172 [1,1,0,0,0,0|1,0,1]=4 1881 B11R0.191 CCCCN(CC)C(C)CCO 269982a_100011935059_100000210211 [1,1,0,0,0,0|1,0,1]=4 1882 B11R0.372 C=CCOC(C)(CC)CCCC 7a_200011218725_100015514636 [1,1,0,0,0,0|2,0,0]=4 1883 B11R0.372 CCCCC(C)(CC)OCC=O 7a_200011218725_200015260668 [1,1,0,0,0,0|1,0,0]=3 1884 B11R0.372 CCCCC(C)(CC)OCCO 7a_200011218725_100000211926 [1,1,0,0,0,0|1,0,1]=4 1885 B11R0.372 CCNCC(O)(CC)CCCO 2230a_100015186943_100000210202 [1,1,0,0,0,0|1,0,1]=4 1886 B11R0.37 CCCC(CC)NC(C)C(=O)C 2230a_100000747048_100009814033 [1,1,0,0,0,0|2,0,0]=4 1887 B11R0.37 CCCC(CC)NC(C)C(=O)N 2230a_100000747048_100000702099 [1,1,0,0,0,0|2,0,0]=4 1888 B11R0.37 CCCC(CC)NC(F)C(=O)N 2230a_100000747048_100009813875 [1,1,0,0,0,0|2,0,0]=4 1889 B11R0.37 CCCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100011219200 [1,1,0,0,0,0|1,0,0]=3 1890 B11R0.37 CCCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000687865 [1,1,0,0,0,0|2,0,0]=4 1891 B11R0.37 CCCC(CC)OC(C)C(=O)C 7a_100000687864_100000179758 [1,1,0,0,0,0|2,0,0]=4 1892 B11R0.37 CCCC(CC)OC(C)C(=O)N 34a_100000687864_100000702099 [1,1,0,0,0,0|2,0,0]=4 1893 B11R0.37 CCCC(CC)OC(C)C(=O)N 7a_100000687864_100000702099 [1,1,0,0,0,0|2,0,0]=4 1894 B11R0.37 CCCC(CC)OC(F)C(=O)N 34a_100000687864_100009813875 [1,1,0,0,0,0|2,0,0]=4 1895 B11R0.37 CCCC(CC)OC(F)C(=O)N 7a_100000687864_100009813875 [1,1,0,0,0,0|2,0,0]=4 1896 B11R0.37 CCCC(CC)OC(F)C(=O)[O-] 34a_100000687864_100020610796 [1,1,0,0,0,0|1,0,1]=4 1897 B11R0.37 CCCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100011219200 [1,1,0,0,0,0|1,0,1]=4 1898 B11R0.37 CCCC(CC)O[C@H](C)C(=O)N 7a_100000731257_100011219200 [1,1,0,0,0,0|2,0,0]=4 1899 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100009814033_100011219200 [1,1,0,0,0,0|2,0,0]=4 1900 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100011219200_100009814033 [1,1,0,0,0,0|2,0,0]=4 1901 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100000702099_100011219200 [1,1,0,0,0,0|2,0,0]=4 1902 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100011219200_100000702099 [1,1,0,0,0,0|2,0,0]=4 1903 B11R0.37 CCCC(CC)SC(F)C(=O)N 62a_100009813875_100011219200 [1,1,0,0,0,0|2,0,0]=4 1904 B11R0.37 CCCC(CC)SC(F)C(=O)N 62a_100011219200_100009813875 [1,1,0,0,0,0|2,0,0]=4 1905 B11R0.37 CCCC(CC)SC(F)C(=O)[O-] 62a_100011219200_100020610796 [1,1,0,0,0,0|1,0,1]=4 1906 B11R0.37 CCCC(CC)SC(F)C(=O)[O-] 62a_100020610796_100011219200 [1,1,0,0,0,0|1,0,1]=4 1907 B11R0.118 CCC(C)N(CC)CCC(=O)C 269982a_100000732650_100000053229 [1,1,0,0,0,0|2,0,0]=4 1908 B11R0.118 CCC(C)N(CC)CCC(=O)N 2230a_100000732650_100000744528 [1,1,0,0,0,0|2,0,0]=4 1909 B11R0.118 CCC(C)N(CC)CCC(=O)N 2230a_100020645749_100000758301 [1,1,0,0,0,0|2,0,0]=4 1910 B11R0.118 CCC(C)N(CC)CCC(=O)N 269982a_100000732650_100000744528 [1,1,0,0,0,0|2,0,0]=4 1911 B11R0.133 CCCC(CC)C(=O)CC(=O)N 1458a_100011416436_100000187820 [1,1,0,0,0,0|1,0,1]=4 1912 B11R0.133 CCCC(CC)C(=O)CC(=O)N 1458a_100134613110_100011219200 [1,1,0,0,0,0|1,0,1]=4 1913 B11R0.133 CCCC(CC)C(=O)CC(=O)[O-] 1458a_100011416436_100020667443 [1,1,0,0,0,0|0,0,2]=4 1914 B11R0.133 CCCC(CC)N(C)CC(=O)N 270004a_100000739694_100000687865 [1,1,0,0,0,0|2,0,0]=4 1915 B11R0.133 CCCC(CC)N(C)CC(=O)O 269956a_100000746989_100011219200 [1,1,0,0,0,0|1,0,0]=3 1916 B11R0.134 CCC(COC)NCC(=O)OC 2230a_100000757820_100000747449 [1,1,0,0,0,0|2,0,0]=4 1917 B11R0.134 CCC(COC)OCC(=O)OC 7a_200011214946_100000747449 [1,1,0,0,0,0|2,0,0]=4 1918 B11R0.134 CCCC(CC)NCC(=O)NC 2230a_100000747048_100000183359 [1,1,0,0,0,0|2,0,0]=4 1919 B11R0.134 CCCC(CC)NCC(=O)NC 270004a_100000693194_100000687865 [1,1,0,0,0,0|2,0,0]=4 1920 B11R0.134 CCCC(CC)NCC(=O)OC 2230a_100000747048_100000747449 [1,1,0,0,0,0|1,0,0]=3 1921 B11R0.134 CCCC(CC)OCC(=O)CC 7a_100000687864_100000747405 [1,1,0,0,0,0|2,0,0]=4 1922 B11R0.134 CCCC(CC)OCC(=O)NC 34a_100000687864_100000183359 [1,1,0,0,0,0|2,0,0]=4 1923 B11R0.134 CCCC(CC)OCC(=O)NC 7a_100000687864_100000183359 [1,1,0,0,0,0|2,0,0]=4 1924 B11R0.134 CCCC(CC)OCC(=O)OC 34a_100000687864_100000747449 [1,1,0,0,0,0|1,0,0]=3 1925 B11R0.134 CCCC(CC)OCC(=O)OC 7a_100000687864_100000747449 [1,1,0,0,0,0|1,0,0]=3 1926 B11R0.134 CCCC(CC)SCC(=O)CC 62a_100000747405_100011219200 [1,1,0,0,0,0|2,0,0]=4 1927 B11R0.134 CCCC(CC)SCC(=O)CC 62a_100011219200_100000747405 [1,1,0,0,0,0|2,0,0]=4 1928 B11R0.134 CCCC(CC)SCC(=O)NC 62a_100000183359_100011219200 [1,1,0,0,0,0|2,0,0]=4 1929 B11R0.134 CCCC(CC)SCC(=O)NC 62a_100011219200_100000183359 [1,1,0,0,0,0|2,0,0]=4 1930 B11R0.134 CCCC(CC)SCC(=O)OC 62a_100000747449_100011219200 [1,1,0,0,0,0|1,0,0]=3 1931 B11R0.134 CCCC(CC)SCC(=O)OC 62a_100011219200_100000747449 [1,1,0,0,0,0|1,0,0]=3 1932 B11R0.134 CCCN(CC)CCC(=O)NC 2230a_100000226822_100000737683 [1,1,0,0,0,0|2,0,0]=4 1933 B11R0.134 CCCN(CC)CCC(=O)NC 269982a_100000226822_100000737683 [1,1,0,0,0,0|2,0,0]=4 1934 B11R0.134 CCCN(CC)CCC(=O)OC 2230a_100000226822_100000204255 [1,1,0,0,0,0|1,0,0]=3 1935 B11R0.134 CCCN(CC)CCC(=O)OC 2230a_100000229097_100000210303 [1,1,0,0,0,0|1,0,0]=3 1936 B11R0.134 CCCN(CC)CCC(=O)OC 269982a_100000226822_100000204255 [1,1,0,0,0,0|1,0,0]=3 1937 B11R0.134 CCCN(CC)CCC(=O)OC 269982a_100000229097_100000210303 [1,1,0,0,0,0|1,0,0]=3 1938 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 2230a_100000732646_100000747449 [1,1,0,0,0,0|2,0,0]=4 1939 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 34a_100000732646_100000747449 [1,1,0,0,0,0|2,0,0]=4 1940 B11R0.134 CCN(CCC(=O)OC)COC 2230a_100000229097_100000766300 [1,1,0,0,0,0|2,0,0]=4 1941 B11R0.134 CCN(CCC(=O)OC)COC 269982a_100000229097_100000766300 [1,1,0,0,0,0|2,0,0]=4 1942 B11R0.134 CCN(CCC(=O)OC)CSC 2230a_100000229097_100011218213 [1,1,0,0,0,0|2,0,0]=4 1943 B11R0.134 CCN(CCC(=O)OC)CSC 269982a_100000229097_100011218213 [1,1,0,0,0,0|2,0,0]=4 1944 B11R0.134 CCN(CCF)CCC(=O)OC 2230a_100000229097_100011217306 [1,1,0,0,0,0|2,0,0]=4 1945 B11R0.134 CCN(CCF)CCC(=O)OC 269982a_100000229097_100011217306 [1,1,0,0,0,0|2,0,0]=4 1946 B11R0.134 CCN(CCO)CCC(=O)OC 2230a_100000210973_100000204255 [1,1,0,0,0,0|2,0,0]=4 1947 B11R0.134 CCN(CCO)CCC(=O)OC 2230a_100000229097_100000211926 [1,1,0,0,0,0|2,0,0]=4 1948 B11R0.134 CCN(CCO)CCC(=O)OC 269982a_100000210973_100000204255 [1,1,0,0,0,0|2,0,0]=4 1949 B11R0.134 CCN(CCO)CCC(=O)OC 269982a_100000229097_100000211926 [1,1,0,0,0,0|2,0,0]=4 1950 B11R0.134 CCOC(CC)CNC(=O)CO 240690a_100015183923_100000210174 [1,1,0,0,0,0|2,0,0]=4 1951 B11R0.134 CCOC(CC)CNC(=O)CO 527a_100015183923_100000210174 [1,1,0,0,0,0|2,0,0]=4 1952 B11R0.143 CCN(CCC(=O)C)CC(C)C 269982a_100000738554_100000053229 [1,1,0,0,0,0|2,0,0]=4 1953 B11R0.143 CCN(CCC(=O)C)C[C@H](C)O 269982a_100000729506_100000053229 [1,1,0,0,0,0|2,0,0]=4 1954 B11R0.143 CCN(CCC(=O)N)CC(C)C 2230a_100000738554_100000744528 [1,1,0,0,0,0|2,0,0]=4 1955 B11R0.143 CCN(CCC(=O)N)CC(C)C 2230a_100020645749_100000210760 [1,1,0,0,0,0|2,0,0]=4 1956 B11R0.143 CCN(CCC(=O)N)CC(C)C 269982a_100000738554_100000744528 [1,1,0,0,0,0|2,0,0]=4 1957 B11R0.143 CCN(CCC(=O)N)CC(C)C 270004a_100020645749_100000210432 [1,1,0,0,0,0|2,0,0]=4 1958 B11R0.143 CCN(CCC(=O)N)CC(C)O 2230a_100020645749_100011218427 [1,1,0,0,0,0|2,0,0]=4 1959 B11R0.143 CCN(CCC(=O)N)C[C@@H](C)O 2230a_100020645749_100009817552 [1,1,0,0,0,0|2,0,0]=4 1960 B11R0.143 CCN(CCC(=O)N)C[C@H](C)O 2230a_100000729506_100000744528 [1,1,0,0,0,0|2,0,0]=4 1961 B11R0.143 CCN(CCC(=O)N)C[C@H](C)O 269982a_100000729506_100000744528 [1,1,0,0,0,0|2,0,0]=4 1962 B11R0.146 CCCC(OCC(=O)N)C(C)C 34a_200011215069_100000187820 [1,1,0,0,0,0|2,0,0]=4 1963 B11R0.146 CCCC(OCC(=O)N)C(C)C 7a_200011215069_100000187820 [1,1,0,0,0,0|2,0,0]=4 1964 B11R0.146 CCCC(OCC(=O)[O-])C(C)C 34a_200011215069_100020667443 [1,1,0,0,0,0|1,0,1]=4 1965 B11R0.146 CCCN(CCC(=O)C)C(C)C 269982a_106256033942_100000053229 [1,1,0,0,0,0|2,0,0]=4 1966 B11R0.146 CCCN(CCC(=O)N)C(C)C 2230a_100011191440_100000210303 [1,1,0,0,0,0|2,0,0]=4 1967 B11R0.146 CCCN(CCC(=O)N)C(C)C 2230a_106256033942_100000744528 [1,1,0,0,0,0|2,0,0]=4 1968 B11R0.146 CCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000210303 [1,1,0,0,0,0|2,0,0]=4 1969 B11R0.146 CCCN(CCC(=O)N)C(C)C 269982a_106256033942_100000744528 [1,1,0,0,0,0|2,0,0]=4 1970 B11R0.185 CCCC(C)(CC)NCC(=O)O 269956a_100016091260_200000040151 [1,1,0,0,0,0|1,0,0]=3 1971 B11R0.185 CCCC(C)(CC)OCC(=O)N 7a_200011215934_100000187820 [1,1,0,0,0,0|2,0,0]=4 1972 B11R0.185 CCCC(C)(CC)SCC(=O)N 62a_100000747473_200000040151 [1,1,0,0,0,0|2,0,0]=4 1973 B11R0.185 CCCC(C)(CC)SCC(=O)N 62a_200000040151_100000747473 [1,1,0,0,0,0|2,0,0]=4 1974 B11R0.185 CCCC(C)(CC)SCC(=O)[O-] 62a_100020667443_200000040151 [1,1,0,0,0,0|1,0,1]=4 1975 B11R0.185 CCCC(C)(CC)SCC(=O)[O-] 62a_200000040151_100020667443 [1,1,0,0,0,0|1,0,1]=4 1976 B11R0.280 CCCC(CCC)NCC(=O)N 2230a_100011207992_100000747473 [1,1,0,0,0,0|2,0,0]=4 1977 B11R0.280 CCCC(CCC)NCC(=O)N 34a_100011207992_100000187820 [1,1,0,0,0,0|2,0,0]=4 1978 B11R0.280 CCCC(CCC)NCC(=O)O 269956a_100016091260_200011218217 [1,1,0,0,0,0|1,0,0]=3 1979 B11R0.280 CCCC(CCC)NCC(=O)[O-] 34a_100011207992_100020667443 [1,1,0,0,0,0|1,0,1]=4 1980 B11R0.280 CCCC(CCC)OCC(=O)C 34a_100000211253_200011218217 [1,1,0,0,0,0|2,0,0]=4 1981 B11R0.280 CCCC(CCC)OCC(=O)N 34a_200011218534_100000187820 [1,1,0,0,0,0|2,0,0]=4 1982 B11R0.280 CCCC(CCC)OCC(=O)N 7a_200011218534_100000187820 [1,1,0,0,0,0|2,0,0]=4 1983 B11R0.280 CCCC(CCC)OCC(=O)[O-] 34a_200011218534_100020667443 [1,1,0,0,0,0|1,0,1]=4 1984 B11R0.280 CCCC(CCC)SCC(=O)N 62a_100000747473_200011218217 [1,1,0,0,0,0|2,0,0]=4 1985 B11R0.280 CCCC(CCC)SCC(=O)N 62a_200011218217_100000747473 [1,1,0,0,0,0|2,0,0]=4 1986 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_100020667443_200011218217 [1,1,0,0,0,0|1,0,1]=4 1987 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_200011218217_100020667443 [1,1,0,0,0,0|1,0,1]=4 1988 B11R0.280 CCCN(CCC)CCC(=O)C 269982a_100000210455_100000053229 [1,1,0,0,0,0|2,0,0]=4 1989 B11R0.280 CCCN(CCC)CCC(=O)N 2230a_100000210455_100000744528 [1,1,0,0,0,0|2,0,0]=4 1990 B11R0.280 CCCN(CCC)CCC(=O)N 269982a_100000210455_100000744528 [1,1,0,0,0,0|2,0,0]=4 1991 B11R0.280 CCCN(CCO)CCC(=O)C 269982a_100000211420_100000053229 [1,1,0,0,0,0|2,0,0]=4 1992 B11R0.280 CCCN(CCO)CCC(=O)N 2230a_100000211420_100000744528 [1,1,0,0,0,0|2,0,0]=4 1993 B11R0.280 CCCN(CCO)CCC(=O)N 269982a_100000211420_100000744528 [1,1,0,0,0,0|2,0,0]=4 1994 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 2230a_100015193777_100000747473 [1,1,0,0,0,0|2,0,0]=4 1995 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 34a_100015193777_100000187820 [1,1,0,0,0,0|2,0,0]=4 1996 B11R0.280 CCC[C@@H](CCO)NCC(=O)[O-] 34a_100015193777_100020667443 [1,1,0,0,0,0|1,0,1]=4 1997 B11R0.280 CCOC(CCC(=O)C)OCC 1458a_100000070787_100000033671 [1,1,0,0,0,0|2,0,0]=4 1998 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [1,1,0,0,0,0|2,0,0]=4 1999 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [1,1,0,0,0,0|2,0,0]=4 2000 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,1,0,0,0,0|1,0,0]=3 2001 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,1,0,0,0,0|1,0,0]=3 2002 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [1,1,0,0,0,0|2,0,0]=4 2003 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [1,1,0,0,0,0|2,0,0]=4 2004 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,1,0,0,0,0|1,0,0]=3 2005 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,1,0,0,0,0|2,0,0]=4 2006 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 2007 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [1,1,0,0,0,0|2,0,0]=4 2008 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [1,1,0,0,0,0|1,0,1]=4 2009 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [1,1,0,0,0,0|2,0,0]=4 2010 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [1,1,0,0,0,0|2,0,0]=4 2011 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [1,1,0,0,0,0|1,0,1]=4 2012 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [1,1,0,0,0,0|1,0,1]=4 2013 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [1,1,0,0,0,0|2,0,0]=4 2014 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [1,1,0,0,0,0|2,0,0]=4 2015 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 2016 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [1,1,0,0,0,0|2,0,0]=4 2017 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [1,1,0,0,0,0|2,0,0]=4 2018 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [1,1,0,0,0,0|2,0,0]=4 2020 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [1,1,0,0,0,0|2,0,0]=4 2021 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [1,1,0,0,0,0|2,0,0]=4 2022 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [1,1,0,0,0,0|2,0,0]=4 2023 B11R0.46 CCOCCN(C)CCC(=O)N 2230a_100000730477_100011215890 [1,1,0,0,0,0|2,0,0]=4 2024 B11R0.46 CCSCCN(C)CCC(=O)N 2230a_100000730477_100000757381 [1,1,0,0,0,0|2,0,0]=4 2025 B11R0.46 CN(CCCCF)CCC(=O)N 2230a_100000730477_100000729493 [1,1,0,0,0,0|2,0,0]=4 2026 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000717598_100000744528 [1,1,0,0,0,0|2,0,0]=4 2027 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000730477_100000210776 [1,1,0,0,0,0|2,0,0]=4 2028 B11R0.46 CN(CCCCO)CCC(=O)N 269982a_100000717598_100000744528 [1,1,0,0,0,0|2,0,0]=4 2029 B11R0.46 COCCCC(C)OCC(=O)N 34a_200011539412_100000187820 [1,1,0,0,0,0|2,0,0]=4 2030 B11R0.46 COCCCC(C)OCC(=O)N 7a_200011539412_100000187820 [1,1,0,0,0,0|2,0,0]=4 2031 B11R0.46 COCCCC(C)OCC(=O)[O-] 34a_200011539412_100020667443 [1,1,0,0,0,0|1,0,1]=4 2032 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [1,1,0,0,0,0|2,0,0]=4 2033 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000224831_100000744528 [1,1,0,0,0,0|2,0,0]=4 2034 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000730477_100000740836 [1,1,0,0,0,0|2,0,0]=4 2035 B11R0.46 COCCCN(C)CCC(=O)N 269982a_100000224831_100000744528 [1,1,0,0,0,0|2,0,0]=4 2036 B11R0.59 CCCC(C)C(C)OCC(=O)N 34a_100000708338_100000187820 [1,1,0,0,0,0|2,0,0]=4 2037 B11R0.59 CCCC(C)C(C)OCC(=O)N 7a_100000708338_100000187820 [1,1,0,0,0,0|2,0,0]=4 2038 B11R0.59 CCCC(C)C(C)OCC(=O)[O-] 34a_100000708338_100020667443 [1,1,0,0,0,0|1,0,1]=4 2039 B11R0.59 CCCC(C)N(C)CCC(=O)N 2230a_100000730477_100000766640 [1,1,0,0,0,0|2,0,0]=4 2040 B11R0.59 CCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000211909 [1,1,0,0,0,0|2,0,0]=4 2041 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100000725509_100000187820 [1,1,0,0,0,0|1,0,1]=4 2042 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011215066 [1,1,0,0,0,0|1,0,1]=4 2043 B11R0.68 CCCCC(C)C(=O)CC(=O)[O-] 1458a_100000725509_100020667443 [1,1,0,0,0,0|0,0,2]=4 2044 B11R0.68 CCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011215066 [1,1,0,0,0,0|2,0,0]=4 2045 B11R0.68 CCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000210087 [1,1,0,0,0,0|2,0,0]=4 2046 B11R0.68 CCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011215066 [1,1,0,0,0,0|1,0,0]=3 2047 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [1,1,0,0,0,0|1,0,1]=4 2048 B11R0.70 CCCCC(C)CCC(=O)CC 1458a_100000033779_100000210202 [1,1,0,0,0,0|1,0,0]=3 2049 B11R0.70 CCCCC(C)CCC(=O)CF 1458a_100000033779_100015361967 [1,1,0,0,0,0|1,0,0]=3 2050 B11R0.70 CCCCC(C)CCC(=O)NC 11a_106832991635_100000033779 [1,1,0,0,0,0|1,0,0]=3 2051 B11R0.70 CCCCC(C)CCC(=O)NC 1626a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 2052 B11R0.70 CCCCC(C)CCC(=O)NC 240690a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 2053 B11R0.70 CCCCC(C)CCC(=O)NC 527a_100102657272_100000033779 [1,1,0,0,0,0|1,0,0]=3 2054 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000126638_100000183359 [1,1,0,0,0,0|2,0,0]=4 2055 B11R0.70 CCCCC(C)NCC(=O)NC 2230a_100000693194_200011215066 [1,1,0,0,0,0|2,0,0]=4 2056 B11R0.70 CCCCC(C)NCC(=O)NC 270004a_100000693194_100000210087 [1,1,0,0,0,0|2,0,0]=4 2057 B11R0.70 CCCCC(C)NCC(=O)OC 2230a_100000126638_100000747449 [1,1,0,0,0,0|1,0,0]=3 2058 B11R0.70 CCCCC(C)OCC(=O)CC 34a_100000725409_200011215066 [1,1,0,0,0,0|2,0,0]=4 2059 B11R0.70 CCCCC(C)OCC(=O)CC 7a_100000687866_100000747405 [1,1,0,0,0,0|2,0,0]=4 2060 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000687866_100000183359 [1,1,0,0,0,0|2,0,0]=4 2061 B11R0.70 CCCCC(C)OCC(=O)NC 34a_100000750040_200011215066 [1,1,0,0,0,0|2,0,0]=4 2062 B11R0.70 CCCCC(C)OCC(=O)NC 7a_100000687866_100000183359 [1,1,0,0,0,0|2,0,0]=4 2063 B11R0.70 CCCCC(C)OCC(=O)OC 34a_100000687866_100000747449 [1,1,0,0,0,0|1,0,0]=3 2064 B11R0.70 CCCCC(C)OCC(=O)OC 7a_100000687866_100000747449 [1,1,0,0,0,0|1,0,0]=3 2065 B11R0.70 CCCCC(C)SCC(=O)CC 62a_100000747405_200011215066 [1,1,0,0,0,0|2,0,0]=4 2066 B11R0.70 CCCCC(C)SCC(=O)CC 62a_200011215066_100000747405 [1,1,0,0,0,0|2,0,0]=4 2067 B11R0.70 CCCCC(C)SCC(=O)NC 62a_100000183359_200011215066 [1,1,0,0,0,0|2,0,0]=4 2068 B11R0.70 CCCCC(C)SCC(=O)NC 62a_200011215066_100000183359 [1,1,0,0,0,0|2,0,0]=4 2069 B11R0.70 CCCCC(C)SCC(=O)OC 62a_100000747449_200011215066 [1,1,0,0,0,0|1,0,0]=3 2070 B11R0.70 CCCCC(C)SCC(=O)OC 62a_200011215066_100000747449 [1,1,0,0,0,0|1,0,0]=3 2071 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 2072 B11R0.70 CCCCN(C)CCC(=O)NC 2230a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 2073 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000207549_100000737683 [1,1,0,0,0,0|2,0,0]=4 2074 B11R0.70 CCCCN(C)CCC(=O)NC 269982a_100000750875_100000210211 [1,1,0,0,0,0|2,0,0]=4 2075 B11R0.70 CCCCN(C)CCC(=O)OC 2230a_100000207549_100000204255 [1,1,0,0,0,0|1,0,0]=3 2076 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100000207549_100000204255 [1,1,0,0,0,0|1,0,0]=3 2077 B11R0.70 CCCCN(C)CCC(=O)OC 269982a_100025711912_100000210211 [1,1,0,0,0,0|1,0,0]=3 2078 B11R0.70 CCCOC(C)CNC(=O)CO 240690a_100015185124_100000210174 [1,1,0,0,0,0|2,0,0]=4 2079 B11R0.70 CCCOC(C)CNC(=O)CO 527a_100015185124_100000210174 [1,1,0,0,0,0|2,0,0]=4 2080 B11R0.70 CCOCC(C)OCC(=O)OC 34a_100000718985_100000747449 [1,1,0,0,0,0|2,0,0]=4 2081 B11R0.70 CCOCC(C)OCC(=O)OC 7a_100000718985_100000747449 [1,1,0,0,0,0|2,0,0]=4 2082 B11R0.70 CCOCN(C)CCC(=O)OC 269982a_100025711912_100000739092 [1,1,0,0,0,0|2,0,0]=4 2083 B11R0.70 COC(=O)CCN(C)CCCF 269982a_100025711912_100011934791 [1,1,0,0,0,0|2,0,0]=4 2084 B11R0.70 COC(=O)CCN(C)CCCO 2230a_100000213112_100000204255 [1,1,0,0,0,0|2,0,0]=4 2085 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100000213112_100000204255 [1,1,0,0,0,0|2,0,0]=4 2086 B11R0.70 COC(=O)CCN(C)CCCO 269982a_100025711912_100011215043 [1,1,0,0,0,0|2,0,0]=4 2087 B11R0.70 COC(=O)CCN(C)CCSC 2230a_100000686725_100000204255 [1,1,0,0,0,0|2,0,0]=4 2088 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100000686725_100000204255 [1,1,0,0,0,0|2,0,0]=4 2089 B11R0.70 COC(=O)CCN(C)CCSC 269982a_100025711912_100000212216 [1,1,0,0,0,0|2,0,0]=4 2090 B11R0.70 COC(=O)COC(C)CCCCl 34a_200000718107_100000747449 [1,1,0,0,0,0|2,0,0]=4 2091 B11R0.70 COC(=O)COC(C)CCCCl 7a_200000718107_100000747449 [1,1,0,0,0,0|2,0,0]=4 2092 B11R0.70 COCCN(C)CCC(=O)OC 2230a_100000743101_100000204255 [1,1,0,0,0,0|2,0,0]=4 2093 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100000743101_100000204255 [1,1,0,0,0,0|2,0,0]=4 2094 B11R0.70 COCCN(C)CCC(=O)OC 269982a_100025711912_100000233755 [1,1,0,0,0,0|2,0,0]=4 2095 B11R0.70 C[C@H](CCCO)CNC(=O)CO 240690a_100160569302_100000210174 [1,1,0,0,0,0|2,0,0]=4 2096 B11R0.70 C[C@H](CCCO)CNC(=O)CO 527a_100160569302_100000210174 [1,1,0,0,0,0|2,0,0]=4 2097 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [1,1,0,0,0,0|2,0,0]=4 2098 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [1,1,0,0,0,0|2,0,0]=4 2099 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100000711301_100011261404 [1,1,0,0,0,0|2,0,0]=4 2100 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100138410893_100000747473 [1,1,0,0,0,0|2,0,0]=4 2101 B11R0.85 CC(C)CCC(C)NCC(=O)O 269956a_100016091260_100011261404 [1,1,0,0,0,0|1,0,0]=3 2102 B11R0.85 CC(C)CCC(C)OCC(=O)N 34a_100011215350_100000187820 [1,1,0,0,0,0|2,0,0]=4 2103 B11R0.85 CC(C)CCC(C)OCC(=O)N 7a_100011215350_100000187820 [1,1,0,0,0,0|2,0,0]=4 2104 B11R0.85 CC(C)CCC(C)OCC(=O)[O-] 34a_100011215350_100020667443 [1,1,0,0,0,0|1,0,1]=4 2105 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100000747473_100011261404 [1,1,0,0,0,0|2,0,0]=4 2106 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100011261404_100000747473 [1,1,0,0,0,0|2,0,0]=4 2107 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100011261404_100020667443 [1,1,0,0,0,0|1,0,1]=4 2108 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100020667443_100011261404 [1,1,0,0,0,0|1,0,1]=4 2109 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000730477_100000210312 [1,1,0,0,0,0|2,0,0]=4 2110 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000742789_100000744528 [1,1,0,0,0,0|2,0,0]=4 2111 B11R0.85 CC(C)CCN(C)CCC(=O)N 269982a_100000742789_100000744528 [1,1,0,0,0,0|2,0,0]=4 2112 B11R0.85 CC(O)CCN(C)CCC(=O)N 2230a_100000730477_100012276601 [1,1,0,0,0,0|2,0,0]=4 2113 B11R0.93 CCC(C)CC(C)NCC(=O)N 2230a_100000763565_100000747473 [1,1,0,0,0,0|2,0,0]=4 2114 B11R0.93 CCC(C)CN(C)CCC(=O)C 269982a_100000753921_100000053229 [1,1,0,0,0,0|2,0,0]=4 2115 B11R0.93 CCC(C)CN(C)CCC(=O)N 2230a_100000730477_100000748023 [1,1,0,0,0,0|2,0,0]=4 2116 B11R0.93 CCC(C)CN(C)CCC(=O)N 2230a_100000753921_100000744528 [1,1,0,0,0,0|2,0,0]=4 2117 B11R0.93 CCC(C)CN(C)CCC(=O)N 269982a_100000753921_100000744528 [1,1,0,0,0,0|2,0,0]=4 2118 B11R0.93 CCC(C)CN(C)CCC(=O)N 270004a_100000730477_100000243153 [1,1,0,0,0,0|2,0,0]=4 2119 B11R0.93 CCC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218378 [1,1,0,0,0,0|2,0,0]=4 2120 B11R0.93 CC[C@H](C)CN(C)CCC(=O)N 2230a_100000730477_100009816398 [1,1,0,0,0,0|2,0,0]=4 2121 B11R0.163 CCCCC(C)NC(C)C(=O)C 2230a_100000126638_100009814033 [1,1,0,0,0,0|2,0,0]=4 2122 B11R0.163 CCCCC(C)NC(C)C(=O)N 2230a_100000126638_100000702099 [1,1,0,0,0,0|2,0,0]=4 2123 B11R0.163 CCCCC(C)NC(F)C(=O)N 2230a_100000126638_100009813875 [1,1,0,0,0,0|2,0,0]=4 2124 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [1,1,0,0,0,0|1,0,0]=3 2125 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011215066 [1,1,0,0,0,0|2,0,0]=4 2126 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210087 [1,1,0,0,0,0|2,0,0]=4 2127 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011215066 [1,1,0,0,0,0|2,0,0]=4 2128 B11R0.163 CCCCC(C)OC(C)C(=O)C 34a_100000212229_200011215066 [1,1,0,0,0,0|2,0,0]=4 2129 B11R0.163 CCCCC(C)OC(C)C(=O)C 7a_100000687866_100000179758 [1,1,0,0,0,0|2,0,0]=4 2130 B11R0.163 CCCCC(C)OC(C)C(=O)N 34a_100000687866_100000702099 [1,1,0,0,0,0|2,0,0]=4 2131 B11R0.163 CCCCC(C)OC(C)C(=O)N 7a_100000687866_100000702099 [1,1,0,0,0,0|2,0,0]=4 2132 B11R0.163 CCCCC(C)OC(F)C(=O)N 34a_100000687866_100009813875 [1,1,0,0,0,0|2,0,0]=4 2133 B11R0.163 CCCCC(C)OC(F)C(=O)N 7a_100000687866_100009813875 [1,1,0,0,0,0|2,0,0]=4 2134 B11R0.163 CCCCC(C)OC(F)C(=O)[O-] 34a_100000687866_100020610796 [1,1,0,0,0,0|1,0,1]=4 2135 B11R0.163 CCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011215066 [1,1,0,0,0,0|1,0,1]=4 2136 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011215066 [1,1,0,0,0,0|2,0,0]=4 2137 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011215066 [1,1,0,0,0,0|2,0,0]=4 2138 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_100009814033_200011215066 [1,1,0,0,0,0|2,0,0]=4 2139 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_200011215066_100009814033 [1,1,0,0,0,0|2,0,0]=4 2140 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_100000702099_200011215066 [1,1,0,0,0,0|2,0,0]=4 2141 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_200011215066_100000702099 [1,1,0,0,0,0|2,0,0]=4 2142 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_100009813875_200011215066 [1,1,0,0,0,0|2,0,0]=4 2143 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_200011215066_100009813875 [1,1,0,0,0,0|2,0,0]=4 2144 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011215066 [1,1,0,0,0,0|1,0,1]=4 2145 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_200011215066_100020610796 [1,1,0,0,0,0|1,0,1]=4 2146 B11R0.219 CCCCC(C)(C)OCC(=O)N 7a_100011219641_100000187820 [1,1,0,0,0,0|2,0,0]=4 2147 B11R0.47 C#CCN(CCCC)CC(=O)O 269956a_100011236498_100000210211 [0,1,0,0,1,0|1,0,1]=4 2148 B11R0.47 C=CCN(CCCC)CC(=O)O 269956a_100000744315_100000210211 [0,1,0,0,1,0|1,0,1]=4 2149 B11R0.47 CCCCN(CCC)CC(=O)N 2230a_200000207744_100000747473 [0,1,0,0,1,0|2,0,0]=4 2150 B11R0.47 CCCCN(CCC)CC(=O)N 269982a_200000207744_100000187820 [0,1,0,0,1,0|2,0,0]=4 2151 B11R0.47 CCCCN(CCC)CC(=O)[O-] 269982a_200000207744_100020667443 [0,1,0,0,1,0|1,0,1]=4 2152 B11R0.47 CCCCN(CCO)CC(=O)N 2230a_100000198060_100000747473 [0,1,0,0,1,0|2,0,0]=4 2153 B11R0.47 CCCCN(CCO)CC(=O)N 269982a_100000198060_100000187820 [0,1,0,0,1,0|2,0,0]=4 2154 B11R0.47 CCCCN(CCO)CC(=O)O 269956a_100000747938_100000210211 [0,1,0,0,1,0|1,0,0]=3 2155 B11R0.47 CCCCN(CCO)CC(=O)[O-] 269982a_100000198060_100020667443 [0,1,0,0,1,0|1,0,1]=4 2156 B11R0.47 CCOCN(CCO)CC(=O)O 269956a_100000747938_100000739092 [0,1,0,0,1,0|2,0,0]=4 2157 B11R0.47 COCCN(CCO)CC(=O)O 269956a_100000747938_100000233755 [0,1,0,0,1,0|2,0,0]=4 2158 B11R0.47 CSCCN(CCO)CC(=O)O 269956a_100000747938_100000212216 [0,1,0,0,1,0|2,0,0]=4 2159 B11R0.47 O=C(O)CN(CCO)CCCF 269956a_100000747938_100011934791 [0,1,0,0,1,0|2,0,0]=4 2160 B11R0.47 O=C(O)CN(CCO)CCCO 269956a_100000747938_100011215043 [0,1,0,0,1,0|2,0,0]=4 2161 B11R0.56 CCCC(C)N(CC)CC(=O)O 269956a_100000746405_100000766640 [0,1,0,0,1,0|1,0,0]=3 2162 B11R0.56 CCN(CC(=O)O)C(C)CCO 269956a_100000746405_100009893172 [0,1,0,0,1,0|2,0,0]=4 2163 B11R0.56 CCN(CC(=O)O)C(C)COC 269956a_100000746405_100000765312 [0,1,0,0,1,0|2,0,0]=4 2164 B11R0.77 C#CCCCN(CC)CC(=O)O 269956a_100000746405_100011215417 [0,1,0,0,1,0|1,0,1]=4 2165 B11R0.77 C#CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000688953 [0,1,0,0,1,0|0,0,2]=4 2166 B11R0.77 C/C=C/CN[C@H](CC)CC(=O)O 269956a_100016995926_100102629194 [0,1,0,0,1,0|0,0,2]=4 2167 B11R0.77 C=CCCCN(CC)CC(=O)O 269956a_100000746405_100011713584 [0,1,0,0,1,0|1,0,1]=4 2168 B11R0.77 C=CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000754431 [0,1,0,0,1,0|0,0,2]=4 2169 B11R0.77 CC#CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000748600 [0,1,0,0,1,0|0,0,2]=4 2170 B11R0.77 CC/C=C\CN(CC)CC(=O)O 269956a_100000746405_100103147603 [0,1,0,0,1,0|1,0,1]=4 2171 B11R0.77 CCC#CCN(CC)CC(=O)O 269956a_100000746405_100009813939 [0,1,0,0,1,0|1,0,1]=4 2172 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,1,0,0,1,0|1,0,0]=3 2173 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,1,0,0,1,0|0,0,0]=2 2174 B11R0.77 CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210211 [0,1,0,0,1,0|1,0,0]=3 2175 B11R0.77 CCN(CCCC#N)CC(=O)O 269956a_100000746405_100000687738 [0,1,0,0,1,0|1,0,1]=4 2176 B11R0.77 CCN(CCCC=O)CC(=O)O 269956a_100000746405_200011292268 [0,1,0,0,1,0|1,0,1]=4 2177 B11R0.77 CCN(CCCCF)CC(=O)O 269956a_100000746405_100000729493 [0,1,0,0,1,0|1,0,0]=3 2178 B11R0.77 CCN(CCCCO)CC(=O)N 2230a_100011217355_100000747473 [0,1,0,0,1,0|2,0,0]=4 2179 B11R0.77 CCN(CCCCO)CC(=O)N 269982a_100011217355_100000187820 [0,1,0,0,1,0|2,0,0]=4 2180 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [0,1,0,0,1,0|1,0,0]=3 2181 B11R0.77 CCN(CCCCO)CC(=O)[O-] 269982a_100011217355_100020667443 [0,1,0,0,1,0|1,0,1]=4 2182 B11R0.77 CCN(CCCOC)CC(=O)O 269956a_100000746405_100000740836 [0,1,0,0,1,0|1,0,0]=3 2183 B11R0.77 CCOCCN(CC)CC(=O)O 269956a_100000746405_100000210147 [0,1,0,0,1,0|1,0,0]=3 2184 B11R0.77 CCOCN[C@H](CC)CC(=O)O 269956a_100016995926_100000739092 [0,1,0,0,1,0|1,0,0]=3 2185 B11R0.77 CCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100000739092 [0,1,0,0,1,0|2,0,0]=4 2186 B11R0.77 CCSCCN(CC)CC(=O)O 269956a_100000746405_100000757381 [0,1,0,0,1,0|1,0,0]=3 2187 B11R0.77 CC[C@H](CC(=O)O)NCCC#N 269956a_100016995926_100011215226 [0,1,0,0,1,0|1,0,1]=4 2188 B11R0.77 CC[C@H](CC(=O)O)NCCCF 269956a_100016995926_100011934791 [0,1,0,0,1,0|1,0,0]=3 2189 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [0,1,0,0,1,0|1,0,0]=3 2190 B11R0.77 CC[C@H](CC(=O)O)NCCOC 269956a_100016995926_100000233755 [0,1,0,0,1,0|1,0,0]=3 2191 B11R0.77 CC[C@H](CC(=O)O)NCCSC 269956a_100016995926_100000212216 [0,1,0,0,1,0|1,0,0]=3 2192 B11R0.77 COCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000233755 [0,1,0,0,1,0|2,0,0]=4 2193 B11R0.77 CSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000212216 [0,1,0,0,1,0|2,0,0]=4 2194 B11R0.77 O=C(O)C[C@@H](CO)NCCCF 269956a_100009816507_100011934791 [0,1,0,0,1,0|2,0,0]=4 2195 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 269956a_100009816507_100011215043 [0,1,0,0,1,0|2,0,0]=4 2196 B11R0.91 CCC(=O)CN(CC)CC(=O)O 269956a_100000746405_100000747405 [0,1,0,0,1,0|1,0,1]=4 2197 B11R0.91 CCC(C)CN(CC)CC(=O)O 269956a_100000746405_100000748023 [0,1,0,0,1,0|1,0,0]=3 2198 B11R0.91 CCC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_100000758301 [0,1,0,0,1,0|1,0,0]=3 2199 B11R0.91 CCC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000758301 [0,1,0,0,1,0|2,0,0]=4 2200 B11R0.91 CCC(O)CN(CC)CC(=O)N 2230a_100011365200_100000747473 [0,1,0,0,1,0|2,0,0]=4 2201 B11R0.91 CCC(O)CN(CC)CC(=O)N 269982a_100011365200_100000187820 [0,1,0,0,1,0|2,0,0]=4 2202 B11R0.91 CCC(O)CN(CC)CC(=O)O 269956a_100000746405_100011218378 [0,1,0,0,1,0|1,0,0]=3 2203 B11R0.91 CCC(O)CN(CC)CC(=O)[O-] 269982a_100011365200_100020667443 [0,1,0,0,1,0|1,0,1]=4 2204 B11R0.91 CCN(CC(=O)O)CC(O)CO 269956a_100000746405_100011219619 [0,1,0,0,1,0|2,0,0]=4 2205 B11R0.91 CCN(CC(=O)O)C[C@@H](C)CO 269956a_100000746405_100000059175 [0,1,0,0,1,0|2,0,0]=4 2206 B11R0.91 CCN(CC(=O)O)C[C@@H](O)CF 269956a_100000746405_100015614560 [0,1,0,0,1,0|2,0,0]=4 2207 B11R0.91 CCN(CC(=O)O)C[C@@H](O)CO 269956a_100000746405_100009815848 [0,1,0,0,1,0|2,0,0]=4 2208 B11R0.91 CC[C@H](C)CN(CC)CC(=O)O 269956a_100000746405_100009816398 [0,1,0,0,1,0|1,0,0]=3 2209 B11R0.91 CC[C@H](CC(=O)O)NC(C)OC 269956a_100016995926_100009879195 [0,1,0,0,1,0|2,0,0]=4 2210 B11R0.91 CC[C@H](CC(=O)O)N[C@H](C)CO 269956a_100016995926_100016084084 [0,1,0,0,1,0|2,0,0]=4 2211 B11R0.160 CC(C)C(CC(=O)O)NCCF 269956a_100000695669_100011217306 [0,1,0,0,1,0|2,0,0]=4 2212 B11R0.160 CC(C)C(CC(=O)O)NCCO 269956a_100000695669_100000211926 [0,1,0,0,1,0|2,0,0]=4 2213 B11R0.160 CCCCN(CC(=O)N)C(C)C 2230a_100000207398_100000747473 [0,1,0,0,1,0|2,0,0]=4 2214 B11R0.160 CCCCN(CC(=O)N)C(C)C 269982a_100000207398_100000187820 [0,1,0,0,1,0|2,0,0]=4 2215 B11R0.160 CCCCN(CC(=O)[O-])C(C)C 269982a_100000207398_100020667443 [0,1,0,0,1,0|1,0,1]=4 2216 B11R0.160 CCCNC(CC(=O)O)C(C)C 269956a_100000695669_100000210207 [0,1,0,0,1,0|1,0,0]=3 2217 B11R0.160 COCNC(CC(=O)O)C(C)C 269956a_100000695669_100000766300 [0,1,0,0,1,0|2,0,0]=4 2218 B11R0.160 CSCNC(CC(=O)O)C(C)C 269956a_100000695669_100011218213 [0,1,0,0,1,0|2,0,0]=4 2219 B11R0.162 CCCCN(CC)C(C)C(=O)C 2230a_100000207695_100009814033 [0,1,0,0,1,0|2,0,0]=4 2220 B11R0.162 CCCCN(CC)C(C)C(=O)C 269982a_100000207695_100009814033 [0,1,0,0,1,0|2,0,0]=4 2221 B11R0.162 CCCCN(CC)C(C)C(=O)N 2230a_100000207695_100000702099 [0,1,0,0,1,0|2,0,0]=4 2222 B11R0.162 CCCCN(CC)C(C)C(=O)N 2230a_100020603310_100000210211 [0,1,0,0,1,0|2,0,0]=4 2223 B11R0.162 CCCCN(CC)C(C)C(=O)N 269982a_100000207695_100000184083 [0,1,0,0,1,0|2,0,0]=4 2224 B11R0.162 CCCCN(CC)C(C)C(=O)N 269982a_100020603310_100000210211 [0,1,0,0,1,0|2,0,0]=4 2225 B11R0.162 CCCCN(CC)C(F)C(=O)N 2230a_100000207695_100009813875 [0,1,0,0,1,0|2,0,0]=4 2226 B11R0.162 CCCCN(CC)C(F)C(=O)N 269982a_100000207695_100009813875 [0,1,0,0,1,0|2,0,0]=4 2227 B13R0.94 C=C(C)CCOC(CC)C(C)CCC 34a_200011218412_100000730704 [0,1,0,0,0,1|2,0,0]=4 2228 B13R0.94 C=C(C)CCOC(CC)C(C)CCC 7a_200011218412_100000730704 [0,1,0,0,0,1|2,0,0]=4 2229 B13R0.94 CCCC(C)C(CC)OCCC(=O)C 7a_200011218412_100000053229 [0,1,0,0,0,1|1,0,0]=3 2230 B13R0.94 CCCC(C)C(CC)OCCC(=O)N 34a_200011218412_100000731001 [0,1,0,0,0,1|1,0,0]=3 2231 B13R0.94 CCCC(C)C(CC)OCCC(=O)N 7a_200011218412_100000744528 [0,1,0,0,0,1|1,0,0]=3 2232 B13R0.94 CCCC(C)C(CC)OCCC(C)O 34a_200011218412_100012276601 [0,1,0,0,0,1|1,0,1]=4 2233 B13R0.94 CCCC(C)C(CC)OCCC(C)O 7a_200011218412_100012276601 [0,1,0,0,0,1|1,0,1]=4 2234 B13R0.94 CCCC(C)C(CC)OCOC(=O)C 34a_200011218412_100009813279 [0,1,0,0,0,1|2,0,0]=4 2235 B13R0.153 C=C(C)CCOC(CC)CCCCC 34a_100011215405_100000730704 [0,1,0,0,0,1|2,0,0]=4 2236 B13R0.153 C=C(C)CCOC(CC)CCCCC 7a_100011215405_100000730704 [0,1,0,0,0,1|2,0,0]=4 2237 B13R0.153 CCCCCC(CC)NCCC(C)O 270004a_200000755665_100011215316 [0,1,0,0,0,1|1,0,1]=4 2238 B13R0.153 CCCCCC(CC)OCCC(=O)C 7a_100011215405_100000053229 [0,1,0,0,0,1|1,0,0]=3 2239 B13R0.153 CCCCCC(CC)OCCC(=O)N 34a_100011215405_100000731001 [0,1,0,0,0,1|1,0,0]=3 2240 B13R0.153 CCCCCC(CC)OCCC(=O)N 7a_100011215405_100000744528 [0,1,0,0,0,1|1,0,0]=3 2241 B13R0.153 CCCCCC(CC)OCCC(C)O 34a_100011215405_100012276601 [0,1,0,0,0,1|1,0,1]=4 2242 B13R0.153 CCCCCC(CC)OCCC(C)O 7a_100011215405_100012276601 [0,1,0,0,0,1|1,0,1]=4 2243 B13R0.153 CCCCCC(CC)OCOC(=O)C 34a_100011215405_100009813279 [0,1,0,0,0,1|2,0,0]=4 2244 B13R0.153 CCCCCC(CCCC(=O)[O-])OC 7a_100020618878_200000210301 [0,1,0,0,0,1|1,0,1]=4 2245 B13R0.153 CCCCCC(CCCC(=O)[O-])O[13CH3] 7a_100020618878_200025704644 [0,1,0,0,0,1|1,0,1]=4 2246 B13R0.153 CCN(CCCCO)CCCC(=O)C 269982a_100011217355_100011215641 [0,1,0,0,0,1|2,0,0]=4 2247 B13R0.153 CCN(CCCCO)CCCC(=O)N 269982a_100011217355_100102525003 [0,1,0,0,0,1|2,0,0]=4 2248 B13R0.153 CCN(CCCCO)CCNC(=O)C 2230a_100011217355_100000189650 [0,1,0,0,0,1|2,0,0]=4 2249 B13R0.153 CCN(CCCCO)CCNC(=O)C 269982a_100011217355_100000189650 [0,1,0,0,0,1|2,0,0]=4 2250 B13R0.153 CCN(CCCCO)CCNC(=O)N 2230a_100011217355_200000034859 [0,1,0,0,0,1|2,0,0]=4 2251 B13R0.153 CCN(CCCCO)CCNC(=O)N 269982a_100011217355_200000034859 [0,1,0,0,0,1|2,0,0]=4 2252 B13R0.153 CCN(CCCCO)CCOC(=O)C 269982a_100011217355_100009814007 [0,1,0,0,0,1|2,0,0]=4 2253 B13R0.153 CCN(CCCCO)CCOC(=O)N 269982a_100011217355_200011214921 [0,1,0,0,0,1|2,0,0]=4 2254 B13R0.207 C=C(C)CCOC(CC)CC(C)CC 7a_200011216566_100000730704 [0,1,0,0,0,1|2,0,0]=4 2255 B13R0.207 CCC(C)CC(CC)NCCC(C)O 270004a_200000755665_100000184709 [0,1,0,0,0,1|1,0,1]=4 2256 B13R0.207 CCC(C)CC(CC)OCCC(=O)C 7a_200011216566_100000053229 [0,1,0,0,0,1|1,0,0]=3 2257 B13R0.207 CCC(C)CC(CC)OCCC(=O)N 7a_200011216566_100000744528 [0,1,0,0,0,1|1,0,0]=3 2258 B13R0.207 CCC(C)CC(CC)OCCC(C)O 7a_200011216566_100012276601 [0,1,0,0,0,1|1,0,1]=4 2259 B13R0.207 CCC(O)CN(CC)CCCC(=O)C 269982a_100011365200_100011215641 [0,1,0,0,0,1|2,0,0]=4 2260 B13R0.207 CCC(O)CN(CC)CCCC(=O)N 269982a_100011365200_100102525003 [0,1,0,0,0,1|2,0,0]=4 2261 B13R0.207 CCC(O)CN(CC)CCNC(=O)C 2230a_100011365200_100000189650 [0,1,0,0,0,1|2,0,0]=4 2262 B13R0.207 CCC(O)CN(CC)CCNC(=O)C 269982a_100011365200_100000189650 [0,1,0,0,0,1|2,0,0]=4 2263 B13R0.207 CCC(O)CN(CC)CCNC(=O)N 2230a_100011365200_200000034859 [0,1,0,0,0,1|2,0,0]=4 2264 B13R0.207 CCC(O)CN(CC)CCNC(=O)N 269982a_100011365200_200000034859 [0,1,0,0,0,1|2,0,0]=4 2265 B13R0.207 CCC(O)CN(CC)CCOC(=O)C 269982a_100011365200_100009814007 [0,1,0,0,0,1|2,0,0]=4 2266 B13R0.207 CCC(O)CN(CC)CCOC(=O)N 269982a_100011365200_200011214921 [0,1,0,0,0,1|2,0,0]=4 2267 B13R0.306 C#CC(CCCC)OCCC(=O)OC 34a_200011217967_100000742370 [0,1,0,0,0,1|0,0,2]=4 2268 B13R0.306 C#CC(CCCC)OCCC(=O)OC 7a_200011217967_100000204255 [0,1,0,0,0,1|0,0,2]=4 2269 B13R0.306 C=C(C#N)CNCC(CC)CCCC 2230a_100000209976_100000694840 [0,1,0,0,0,1|2,0,0]=4 2270 B13R0.306 C=C(C#N)COCC(CC)CCCC 34a_100000210273_100000694840 [0,1,0,0,0,1|2,0,0]=4 2271 B13R0.306 C=C(C#N)CSCC(CC)CCCC 62a_100000211942_100000694840 [0,1,0,0,0,1|2,0,0]=4 2272 B13R0.306 C=CC(=O)NCCN(CC)CCCC 1626a_200011208488_100000185746 [0,1,0,0,0,1|2,0,0]=4 2273 B13R0.306 C=CC(=O)NCCN(CC)CCCC 240690a_200011208488_200121576911 [0,1,0,0,0,1|2,0,0]=4 2274 B13R0.306 C=CC(=O)OCCN(CC)CCCC 2230a_100000207695_100009813456 [0,1,0,0,0,1|2,0,0]=4 2275 B13R0.306 C=CC(=O)OCCN(CC)CCCC 269982a_100000207695_100009813456 [0,1,0,0,0,1|2,0,0]=4 2276 B13R0.306 C=CC(CCCC)OCCC(=O)OC 34a_200011215037_100000742370 [0,1,0,0,0,1|0,0,2]=4 2277 B13R0.306 C=CC(CCCC)OCCC(=O)OC 7a_200011215037_100000204255 [0,1,0,0,0,1|0,0,2]=4 2278 B13R0.306 C=CC(O)CNCC(CC)CCCC 2230a_100000209976_100000730141 [0,1,0,0,0,1|1,0,1]=4 2279 B13R0.306 C=CC(O)COCC(CC)CCCC 34a_100000210273_100000730141 [0,1,0,0,0,1|1,0,1]=4 2280 B13R0.306 C=CC(O)COCC(CC)CCCC 7a_100000210273_100000730141 [0,1,0,0,0,1|1,0,1]=4 2281 B13R0.306 C=CC(O)CSCC(CC)CCCC 62a_100000211942_100000730141 [0,1,0,0,0,1|1,0,1]=4 2282 B13R0.306 C=CC(O)CSCC(CC)CCCC 62a_100000730141_100000211942 [0,1,0,0,0,1|1,0,1]=4 2283 B13R0.306 CCC/C=C(\CC)/COCC(=O)OC 34a_200015372368_100000747449 [0,1,0,0,0,1|0,0,2]=4 2284 B13R0.306 CCC/C=C(\CC)/COCC(=O)OC 7a_200015372368_100000747449 [0,1,0,0,0,1|0,0,2]=4 2285 B13R0.306 CCCCC(CC)CNCC(=O)NC 2230a_100000209976_100000183359 [0,1,0,0,0,1|1,0,0]=3 2286 B13R0.306 CCCCC(CC)CNCC(=O)NC 2230a_100000693194_100000211942 [0,1,0,0,0,1|1,0,0]=3 2287 B13R0.306 CCCCC(CC)CNCC(=O)NC 269862a_100000693194_100011219736 [0,1,0,0,0,1|1,0,0]=3 2288 B13R0.306 CCCCC(CC)CNCC(=O)NC 270004a_100000693194_100011219736 [0,1,0,0,0,1|1,0,0]=3 2289 B13R0.306 CCCCC(CC)CNCC(=O)OC 2230a_100000209976_100000747449 [0,1,0,0,0,1|0,0,0]=2 2290 B13R0.306 CCCCC(CC)CNCC(C)CO 269862a_100000744482_100011219736 [0,1,0,0,0,1|1,0,1]=4 2291 B13R0.306 CCCCC(CC)CNCC(C)CO 34a_100000744482_100000211942 [0,1,0,0,0,1|1,0,1]=4 2292 B13R0.306 CCCCC(CC)CNCC(O)CC 2230a_100000209976_100011218378 [0,1,0,0,0,1|1,0,1]=4 2293 B13R0.306 CCCCC(CC)CNCC(O)CC 2230a_100011218483_100000211942 [0,1,0,0,0,1|1,0,1]=4 2294 B13R0.306 CCCCC(CC)CNCC(O)CC 269862a_100011218483_100011219736 [0,1,0,0,0,1|1,0,1]=4 2295 B13R0.306 CCCCC(CC)CNCC(O)CC 270004a_100011218483_100011219736 [0,1,0,0,0,1|1,0,1]=4 2296 B13R0.306 CCCCC(CC)CNCC(O)CO 2230a_100000209976_100011219619 [0,1,0,0,0,1|0,0,2]=4 2297 B13R0.306 CCCCC(CC)CNC[C@@H](C)CO 2230a_100000209976_100000059175 [0,1,0,0,0,1|1,0,1]=4 2298 B13R0.306 CCCCC(CC)CNC[C@@H](C)OC 2230a_100020591295_100000211942 [0,1,0,0,0,1|1,0,1]=4 2299 B13R0.306 CCCCC(CC)CNC[C@@H](C)OC 269862a_100020591295_100011219736 [0,1,0,0,0,1|1,0,1]=4 2300 B13R0.306 CCCCC(CC)CNC[C@@H](C)OC 270004a_100020591295_100011219736 [0,1,0,0,0,1|1,0,1]=4 2301 B13R0.306 CCCCC(CC)CNC[C@@H](F)CO 269862a_100015665980_100011219736 [0,1,0,0,0,1|1,0,1]=4 2302 B13R0.306 CCCCC(CC)CNC[C@@H](F)CO 270004a_100015665980_100011219736 [0,1,0,0,0,1|1,0,1]=4 2303 B13R0.306 CCCCC(CC)CNC[C@@H](F)CO 34a_100015665980_100000211942 [0,1,0,0,0,1|1,0,1]=4 2304 B13R0.306 CCCCC(CC)CNC[C@@H](O)CF 2230a_100000209976_100015614560 [0,1,0,0,0,1|1,0,1]=4 2305 B13R0.306 CCCCC(CC)CNC[C@@H](O)CO 2230a_100000209976_100009815848 [0,1,0,0,0,1|0,0,2]=4 2306 B13R0.306 CCCCC(CC)CNC[C@H](O)CO 2230a_100020644852_100000211942 [0,1,0,0,0,1|0,0,2]=4 2307 B13R0.306 CCCCC(CC)CNC[C@H](O)CO 269862a_100020644852_100011219736 [0,1,0,0,0,1|0,0,2]=4 2308 B13R0.306 CCCCC(CC)COCC(=O)CC 34a_100000725409_100000211942 [0,1,0,0,0,1|1,0,0]=3 2309 B13R0.306 CCCCC(CC)COCC(=O)CC 7a_100000210273_100000747405 [0,1,0,0,0,1|1,0,0]=3 2310 B13R0.306 CCCCC(CC)COCC(=O)NC 34a_100000210273_100000183359 [0,1,0,0,0,1|1,0,0]=3 2311 B13R0.306 CCCCC(CC)COCC(=O)NC 34a_100000750040_100000211942 [0,1,0,0,0,1|1,0,0]=3 2312 B13R0.306 CCCCC(CC)COCC(=O)NC 7a_100000210273_100000183359 [0,1,0,0,0,1|1,0,0]=3 2313 B13R0.306 CCCCC(CC)COCC(=O)OC 34a_100000210273_100000747449 [0,1,0,0,0,1|0,0,0]=2 2314 B13R0.306 CCCCC(CC)COCC(=O)OC 7a_100000210273_100000747449 [0,1,0,0,0,1|0,0,0]=2 2315 B13R0.306 CCCCC(CC)COCC(C)OC 34a_100000690652_100000211942 [0,1,0,0,0,1|1,0,1]=4 2316 B13R0.306 CCCCC(CC)COCC(O)CC 34a_100000210273_100011218378 [0,1,0,0,0,1|1,0,1]=4 2317 B13R0.306 CCCCC(CC)COCC(O)CC 7a_100000210273_100011218378 [0,1,0,0,0,1|1,0,1]=4 2318 B13R0.306 CCCCC(CC)COCC(O)CO 34a_100000210273_100011219619 [0,1,0,0,0,1|0,0,2]=4 2319 B13R0.306 CCCCC(CC)COCC(O)CO 7a_100000210273_100011219619 [0,1,0,0,0,1|0,0,2]=4 2320 B13R0.306 CCCCC(CC)COC[C@@H](C)CO 34a_100000210273_100000059175 [0,1,0,0,0,1|1,0,1]=4 2321 B13R0.306 CCCCC(CC)COC[C@@H](C)CO 7a_100000210273_100000059175 [0,1,0,0,0,1|1,0,1]=4 2322 B13R0.306 CCCCC(CC)COC[C@@H](O)CF 34a_100000210273_100015614560 [0,1,0,0,0,1|1,0,1]=4 2323 B13R0.306 CCCCC(CC)COC[C@@H](O)CF 7a_100000210273_100015614560 [0,1,0,0,0,1|1,0,1]=4 2324 B13R0.306 CCCCC(CC)COC[C@@H](O)CO 34a_100000210273_100009815848 [0,1,0,0,0,1|0,0,2]=4 2325 B13R0.306 CCCCC(CC)COC[C@@H](O)CO 7a_100000210273_100009815848 [0,1,0,0,0,1|0,0,2]=4 2326 B13R0.306 CCCCC(CC)CSCC(=O)CC 62a_100000211942_100000747405 [0,1,0,0,0,1|1,0,0]=3 2327 B13R0.306 CCCCC(CC)CSCC(=O)CC 62a_100000747405_100000211942 [0,1,0,0,0,1|1,0,0]=3 2328 B13R0.306 CCCCC(CC)CSCC(=O)NC 62a_100000183359_100000211942 [0,1,0,0,0,1|1,0,0]=3 2329 B13R0.306 CCCCC(CC)CSCC(=O)NC 62a_100000211942_100000183359 [0,1,0,0,0,1|1,0,0]=3 2330 B13R0.306 CCCCC(CC)CSCC(=O)OC 62a_100000211942_100000747449 [0,1,0,0,0,1|0,0,0]=2 2331 B13R0.306 CCCCC(CC)CSCC(=O)OC 62a_100000747449_100000211942 [0,1,0,0,0,1|0,0,0]=2 2332 B13R0.306 CCCCC(CC)CSCC(O)CC 62a_100000211942_100011218378 [0,1,0,0,0,1|1,0,1]=4 2333 B13R0.306 CCCCC(CC)CSCC(O)CC 62a_100011218378_100000211942 [0,1,0,0,0,1|1,0,1]=4 2334 B13R0.306 CCCCC(CC)CSCC(O)CO 62a_100000211942_100011219619 [0,1,0,0,0,1|0,0,2]=4 2335 B13R0.306 CCCCC(CC)CSCC(O)CO 62a_100011219619_100000211942 [0,1,0,0,0,1|0,0,2]=4 2336 B13R0.306 CCCCC(CC)CSC[C@@H](C)CO 62a_100000059175_100000211942 [0,1,0,0,0,1|1,0,1]=4 2337 B13R0.306 CCCCC(CC)CSC[C@@H](C)CO 62a_100000211942_100000059175 [0,1,0,0,0,1|1,0,1]=4 2338 B13R0.306 CCCCC(CC)CSC[C@@H](O)CF 62a_100000211942_100015614560 [0,1,0,0,0,1|1,0,1]=4 2339 B13R0.306 CCCCC(CC)CSC[C@@H](O)CF 62a_100015614560_100000211942 [0,1,0,0,0,1|1,0,1]=4 2340 B13R0.306 CCCCC(CC)CSC[C@@H](O)CO 62a_100000211942_100009815848 [0,1,0,0,0,1|0,0,2]=4 2341 B13R0.306 CCCCC(CC)CSC[C@@H](O)CO 62a_100009815848_100000211942 [0,1,0,0,0,1|0,0,2]=4 2342 B13R0.306 CCCCC(CC)NCCC(=O)NC 270004a_100000738227_100000753412 [0,1,0,0,0,1|1,0,0]=3 2343 B13R0.306 CCCCC(CC)NCCC(=O)NC 34a_100000738227_200011216223 [0,1,0,0,0,1|1,0,0]=3 2344 B13R0.306 CCCCC(CC)NCCC(C)CO 270004a_106354213184_100000753412 [0,1,0,0,0,1|1,0,1]=4 2345 B13R0.306 CCCCC(CC)NCCC(C)CO 34a_106354213184_200011216223 [0,1,0,0,0,1|1,0,1]=4 2346 B13R0.306 CCCCC(CC)OCCC(=NO)N 34a_100000749954_200011216223 [0,1,0,0,0,1|1,0,0]=3 2347 B13R0.306 CCCCC(CC)OCCC(=O)NC 34a_100000754576_200011216223 [0,1,0,0,0,1|1,0,0]=3 2348 B13R0.306 CCCCC(CC)OCCC(=O)NC 34a_100011215227_100012179268 [0,1,0,0,0,1|1,0,0]=3 2349 B13R0.306 CCCCC(CC)OCCC(=O)NC 7a_100011215227_100000737683 [0,1,0,0,0,1|1,0,0]=3 2350 B13R0.306 CCCCC(CC)OCCC(=O)OC 34a_100011215227_100000742370 [0,1,0,0,0,1|0,0,0]=2 2351 B13R0.306 CCCCC(CC)OCCC(=O)OC 7a_100011215227_100000204255 [0,1,0,0,0,1|0,0,0]=2 2352 B13R0.306 CCCCC(CC)OCCC(C)OC 7a_100000764861_200011216223 [0,1,0,0,0,1|1,0,1]=4 2353 B13R0.306 CCCCC(CC)SCCC(=O)NC 62a_100000737683_200011216223 [0,1,0,0,0,1|1,0,0]=3 2354 B13R0.306 CCCCC(CC)SCCC(=O)NC 62a_200011216223_100000737683 [0,1,0,0,0,1|1,0,0]=3 2355 B13R0.306 CCCCC(CC)SCCC(=O)OC 62a_100000204255_200011216223 [0,1,0,0,0,1|0,0,0]=2 2356 B13R0.306 CCCCC(CC)SCCC(=O)OC 62a_200011216223_100000204255 [0,1,0,0,0,1|0,0,0]=2 2357 B13R0.306 CCCCC(CC)SCOC(=O)OC 62a_200011216223_100000139417 [0,1,0,0,0,1|1,0,0]=3 2358 B13R0.306 CCCCN(CC)C/C=C/C(=O)OC 2230a_100000207695_100000742655 [0,1,0,0,0,1|1,0,1]=4 2359 B13R0.306 CCCCN(CC)C/C=C/C(=O)OC 269982a_100000207695_100000742655 [0,1,0,0,0,1|1,0,1]=4 2360 B13R0.306 CCCCN(CC)CCCC(=O)NC 2230a_100000207695_100000741757 [0,1,0,0,0,1|2,0,0]=4 2361 B13R0.306 CCCCN(CC)CCCC(=O)NC 269982a_100000207695_100000741757 [0,1,0,0,0,1|2,0,0]=4 2362 B13R0.306 CCCCN(CC)CCCC(=O)OC 2230a_100000207695_100011218270 [0,1,0,0,0,1|1,0,0]=3 2363 B13R0.306 CCCCN(CC)CCCC(=O)OC 269982a_100000207695_100011218270 [0,1,0,0,0,1|1,0,0]=3 2364 B13R0.306 CCCCN(CC)CCNC(=O)CC 1626a_200011208488_100000210414 [0,1,0,0,0,1|2,0,0]=4 2365 B13R0.306 CCCCN(CC)CCNC(=O)CC 240690a_200011208488_100000210414 [0,1,0,0,0,1|2,0,0]=4 2366 B13R0.306 CCCCN(CC)CCNC(=O)CC 527a_200011208488_100000210414 [0,1,0,0,0,1|2,0,0]=4 2367 B13R0.306 CCCCN(CC)CCNC(=O)CO 240690a_200011208488_100000210174 [0,1,0,0,0,1|1,0,0]=3 2368 B13R0.306 CCCCN(CC)CCNC(=O)CO 527a_200011208488_100000210174 [0,1,0,0,0,1|1,0,0]=3 2369 B13R0.306 CCCCN(CC)CCNC(=O)NC 2708a_100102657272_200011208488 [0,1,0,0,0,1|2,0,0]=4 2370 B13R0.306 CCCCN(CC)CCNC(=O)NC 2708a_200011208488_106832991635 [0,1,0,0,0,1|2,0,0]=4 2371 B13R0.306 CCCCN(CC)CCNC(=O)NC 273464a_100102657272_200011208488 [0,1,0,0,0,1|2,0,0]=4 2372 B13R0.306 CCCCN(CC)CCNC(=O)NC 273464a_200011208488_100102657272 [0,1,0,0,0,1|2,0,0]=4 2373 B13R0.306 CCCCN(CC)CCNC(=O)NC 512a_106832991638_200011208488 [0,1,0,0,0,1|2,0,0]=4 2374 B13R0.306 CCCCN(CC)CCNC(=O)NC 512a_200011208488_100102657272 [0,1,0,0,0,1|2,0,0]=4 2375 B13R0.306 CCCCN(CC)CCOC(=O)NC 269982a_100000207695_200011997002 [0,1,0,0,0,1|2,0,0]=4 2376 B13R0.306 CCCC[C@@H](CO)NCCC(=O)NC 2230a_100011934283_100000737683 [0,1,0,0,0,1|2,0,0]=4 2377 B13R0.306 CCCC[C@@H](CO)NCCC(=O)NC 34a_100011934283_100012179268 [0,1,0,0,0,1|2,0,0]=4 2378 B13R0.306 CCCC[C@@H](CO)NCCC(=O)OC 2230a_100011934283_100000204255 [0,1,0,0,0,1|1,0,0]=3 2379 B13R0.306 CCCC[C@@H](CO)NCCC(=O)OC 34a_100011934283_100000742370 [0,1,0,0,0,1|1,0,0]=3 2380 B13R0.306 CCN(CCCC(=O)OC)CCOC 2230a_100000731262_100011218270 [0,1,0,0,0,1|2,0,0]=4 2381 B13R0.306 CCN(CCCC(=O)OC)CCOC 269982a_100000731262_100011218270 [0,1,0,0,0,1|2,0,0]=4 2382 B13R0.306 CCOCC(CN)OCCC(=O)OC 34a_102515437182_100000742370 [0,1,0,0,0,1|2,0,0]=4 2383 B13R0.306 COC(=O)CCN[C@H](CO)CCSC 2230a_100011827619_100000204255 [0,1,0,0,0,1|2,0,0]=4 2384 B13R0.307 CCCCC(CC)CNCC(C)(C)O 2230a_100000751335_100000211942 [0,1,0,0,0,1|1,0,1]=4 2385 B13R0.307 CCCCC(CC)CNCC(C)(C)O 269862a_100000751335_100011219736 [0,1,0,0,0,1|1,0,1]=4 2386 B13R0.307 CCCCC(CC)CNCC(C)(C)O 270004a_100000751335_100011219736 [0,1,0,0,0,1|1,0,1]=4 2387 B13R0.307 CCCCC(CC)COCC(C)(C)O 34a_100000210273_100000764493 [0,1,0,0,0,1|1,0,1]=4 2388 B13R0.307 CCCCC(CC)COCC(C)(C)O 7a_100000210273_100000764493 [0,1,0,0,0,1|1,0,1]=4 2389 B13R0.307 CCCCC(CC)COCS(=O)(=O)[O-] 34a_100000210273_100009817235 [0,1,0,0,0,1|1,0,1]=4 2390 B13R0.307 CCCCC(CC)CSCC(C)(C)O 62a_100000211942_100000764493 [0,1,0,0,0,1|1,0,1]=4 2391 B13R0.307 CCCCC(CC)CSCC(C)(C)O 62a_100000764493_100000211942 [0,1,0,0,0,1|1,0,1]=4 2392 B13R0.307 CCCCC(CC)CSCS(=O)(=O)N 62a_100000211942_100000741382 [0,1,0,0,0,1|1,0,1]=4 2393 B13R0.307 CCCCC(CC)CSCS(=O)(=O)N 62a_100000741382_100000211942 [0,1,0,0,0,1|1,0,1]=4 2394 B13R0.307 CCCCC(CC)CSCS(=O)(=O)[O-] 62a_100000211942_100009817235 [0,1,0,0,0,1|1,0,1]=4 2395 B13R0.307 CCCCC(CC)CSCS(=O)(=O)[O-] 62a_100009817235_100000211942 [0,1,0,0,0,1|1,0,1]=4 2396 B13R0.307 CCCCC(CC)NCCC(C)(C)O 270004a_100000707701_100000753412 [0,1,0,0,0,1|1,0,1]=4 2397 B13R0.307 CCCCC(CC)NCCS(=O)(=O)C 270004a_100000740961_100000753412 [0,1,0,0,0,1|1,0,1]=4 2398 B13R0.307 CCCCC(CC)NCCS(=O)(=O)C 34a_100000740961_200011216223 [0,1,0,0,0,1|1,0,1]=4 2399 B13R0.307 CCCCC(CC)NCCS(=O)(=O)N 270004a_100000738205_100000753412 [0,1,0,0,0,1|1,0,1]=4 2400 B13R0.307 CCCCC(CC)NCCS(=O)(=O)N 34a_100000738205_200011216223 [0,1,0,0,0,1|1,0,1]=4 2401 B13R0.307 CCCCC(CC)OCCC(C)(C)O 34a_100011215227_100000702414 [0,1,0,0,0,1|1,0,1]=4 2402 B13R0.307 CCCCC(CC)OCCC(C)(C)O 7a_100011215227_100000702414 [0,1,0,0,0,1|1,0,1]=4 2403 B13R0.307 CCCCC(CC)OCCS(=O)(=O)C 34a_100000211924_200011216223 [0,1,0,0,0,1|1,0,1]=4 2404 B13R0.307 CCCCC(CC)OCCS(=O)(=O)C 34a_100011215227_100000731031 [0,1,0,0,0,1|1,0,1]=4 2405 B13R0.307 CCCCC(CC)OCCS(=O)(=O)C 7a_100000211924_200011216223 [0,1,0,0,0,1|1,0,1]=4 2406 B13R0.307 CCCCC(CC)OCCS(=O)(=O)C 7a_100011215227_100000230027 [0,1,0,0,0,1|1,0,1]=4 2407 B13R0.307 CCCCC(CC)OCCS(=O)(=O)N 34a_100012334274_200011216223 [0,1,0,0,0,1|1,0,1]=4 2408 B13R0.307 CCCCC(CC)OCCS(=O)(=O)[O-] 34a_100011215227_100000762736 [0,1,0,0,0,1|1,0,1]=4 2409 B13R0.307 CCCCC(CC)SCCC(C)(C)O 62a_100000702414_200011216223 [0,1,0,0,0,1|1,0,1]=4 2410 B13R0.307 CCCCC(CC)SCCC(C)(C)O 62a_200011216223_100000702414 [0,1,0,0,0,1|1,0,1]=4 2411 B13R0.307 CCCCC(CC)SCCS(=O)(=O)C 62a_100000731031_200011216223 [0,1,0,0,0,1|1,0,1]=4 2412 B13R0.307 CCCCC(CC)SCCS(=O)(=O)C 62a_200011216223_100000230027 [0,1,0,0,0,1|1,0,1]=4 2413 B13R0.307 CCCCC(CC)SCCS(=O)(=O)[O-] 62a_100000762736_200011216223 [0,1,0,0,0,1|1,0,1]=4 2414 B13R0.307 CCCCC(CC)SCCS(=O)(=O)[O-] 62a_200011216223_100000762736 [0,1,0,0,0,1|1,0,1]=4 2415 B13R0.378 C=C(C)CCC(=O)C(CC)CCCC 1458a_100000211130_100000730704 [0,1,0,0,0,1|2,0,0]=4 2416 B13R0.378 C=C(C)CCC(=O)C(CC)CCCC 1458a_200000688413_200011216223 [0,1,0,0,0,1|2,0,0]=4 2417 B13R0.378 C=C(C)COC(C)C(CC)CCCC 34a_200011290779_100000748629 [0,1,0,0,0,1|2,0,0]=4 2418 B13R0.378 C=C(C)COC(C)C(CC)CCCC 7a_200011290779_100000748629 [0,1,0,0,0,1|2,0,0]=4 2419 B13R0.378 C=C(F)COC(C)C(CC)CCCC 34a_200011290779_100009893438 [0,1,0,0,0,1|2,0,0]=4 2420 B13R0.378 C=C(F)COC(C)C(CC)CCCC 7a_200011290779_100000042424 [0,1,0,0,0,1|2,0,0]=4 2421 B13R0.378 CCCCC(CC)C(=O)CCC(=O)N 1458a_100011215257_200011216223 [0,1,0,0,0,1|1,0,0]=3 2422 B13R0.378 CCCCC(CC)C(=O)CCC(C)O 1458a_100000211130_100012276601 [0,1,0,0,0,1|1,0,1]=4 2423 B13R0.378 CCCCC(CC)C(=O)CC[N+](=O)[O-] 1458a_200000064761_200011216223 [0,1,0,0,0,1|1,0,1]=4 2424 B13R0.378 CCCCC(CC)C(=O)CNC(=O)C 1458a_100000194580_200011216223 [0,1,0,0,0,1|1,0,1]=4 2425 B13R0.378 CCCCC(CC)C(=O)CNC(=O)N 1458a_100000184981_200011216223 [0,1,0,0,0,1|1,0,1]=4 2426 B13R0.378 CCCCC(CC)C(=O)COC(=O)C 1458a_100000183556_200011216223 [0,1,0,0,0,1|1,0,1]=4 2427 B13R0.378 CCCCC(CC)C(=O)CSC(=O)C 1458a_100000049016_200011216223 [0,1,0,0,0,1|1,0,1]=4 2428 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 11a_100000711301_100000211130 [0,1,0,0,0,1|1,0,1]=4 2429 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 240690a_100000711301_100000211130 [0,1,0,0,0,1|1,0,1]=4 2430 B13R0.378 CCCCC(CC)C(=O)NCC(=O)N 527a_100000711301_100000211130 [0,1,0,0,0,1|1,0,1]=4 2431 B13R0.378 CCCCC(CC)C(C)OCC(=O)N 34a_200011290779_100000187820 [0,1,0,0,0,1|1,0,0]=3 2432 B13R0.378 CCCCC(CC)C(C)OCC(=O)N 7a_200011290779_100000187820 [0,1,0,0,0,1|1,0,0]=3 2433 B13R0.378 CCCCC(CC)C(C)OCC(=O)[O-] 34a_200011290779_100020667443 [0,1,0,0,0,1|0,0,1]=3 2434 B13R0.378 CCCCC(CC)C(C)OCC(C)O 34a_200011290779_100011218427 [0,1,0,0,0,1|1,0,1]=4 2435 B13R0.378 CCCCC(CC)C(C)OCC(C)O 7a_200011290779_100011218427 [0,1,0,0,0,1|1,0,1]=4 2436 B13R0.378 CCCCC(CC)C(C)OC[C@@H](C)O 34a_200011290779_100009817552 [0,1,0,0,0,1|1,0,1]=4 2437 B13R0.378 CCCCC(CC)C(C)OC[C@@H](C)O 7a_200011290779_100009817552 [0,1,0,0,0,1|1,0,1]=4 2438 B13R0.378 CCCCC(CC)C(C)OC[N+](=O)[O-] 34a_200011290779_100000761209 [0,1,0,0,0,1|1,0,1]=4 2439 B13R0.378 CCCCC(CC)N(C)CCC(=O)N 270004a_100000730477_100000753412 [0,1,0,0,0,1|1,0,0]=3 2440 B13R0.378 CCCCN(CC)C(=O)CCC(=O)N 240690a_100000207695_100011215257 [0,1,0,0,0,1|2,0,0]=4 2441 B13R0.378 CCCCN(CC)C(=O)CCC(=O)N 527a_100000207695_100011215257 [0,1,0,0,0,1|2,0,0]=4 2442 B13R0.378 CCCCN(CC)C(C)COC(=O)C 270004a_100000207695_100000000629 [0,1,0,0,0,1|2,0,0]=4 2443 B13R0.506 C=C(C)CCOC(C)(CC)CCCC 7a_200011218725_100000730704 [0,1,0,0,0,1|2,0,0]=4 2444 B13R0.506 CCC(O)(CCCO)CNCC(=O)N 2230a_100015186943_100000747473 [0,1,0,0,0,1|2,0,0]=4 2445 B13R0.506 CCCCC(C)(CC)OCCC(=O)C 7a_200011218725_100000053229 [0,1,0,0,0,1|1,0,0]=3 2446 B13R0.506 CCCCC(C)(CC)OCCC(=O)N 7a_200011218725_100000744528 [0,1,0,0,0,1|1,0,0]=3 2447 B13R0.506 CCCCC(C)(CC)OCCC(C)O 7a_200011218725_100012276601 [0,1,0,0,0,1|1,0,1]=4 2448 B13R0.519 C=C(Br)CCOC(CCC)CCCC 34a_100009813270_100000211913 [0,1,0,0,0,1|2,0,0]=4 2449 B13R0.519 C=C(C)CCOC(CCC)CCCC 34a_100000764851_100000211913 [0,1,0,0,0,1|2,0,0]=4 2450 B13R0.519 C=C(C)CCOC(CCC)CCCC 34a_100011215800_100000730704 [0,1,0,0,0,1|2,0,0]=4 2451 B13R0.519 C=C(C)CCOC(CCC)CCCC 7a_100011215800_100000730704 [0,1,0,0,0,1|2,0,0]=4 2452 B13R0.519 C=CCC(CCCC)OCCC(=O)C 7a_200011216941_100000053229 [0,1,0,0,0,1|1,0,1]=4 2453 B13R0.519 C=CCC(CCCC)OCCC(=O)N 34a_200011216941_100000731001 [0,1,0,0,0,1|1,0,1]=4 2454 B13R0.519 C=CCC(CCCC)OCCC(=O)N 7a_200011216941_100000744528 [0,1,0,0,0,1|1,0,1]=4 2455 B13R0.519 CCCCC(CCC)NOCC(=O)O 269956a_100000106656_100000211913 [0,1,0,0,0,1|1,0,0]=3 2456 B13R0.519 CCCCC(CCC)OCCC(=O)C 34a_100000759926_100000211913 [0,1,0,0,0,1|1,0,0]=3 2457 B13R0.519 CCCCC(CCC)OCCC(=O)C 7a_100000759926_100000211913 [0,1,0,0,0,1|1,0,0]=3 2458 B13R0.519 CCCCC(CCC)OCCC(=O)C 7a_100011215800_100000053229 [0,1,0,0,0,1|1,0,0]=3 2459 B13R0.519 CCCCC(CCC)OCCC(=O)N 34a_100000757172_100000211913 [0,1,0,0,0,1|1,0,0]=3 2460 B13R0.519 CCCCC(CCC)OCCC(=O)N 34a_100011215800_100000731001 [0,1,0,0,0,1|1,0,0]=3 2461 B13R0.519 CCCCC(CCC)OCCC(=O)N 7a_100000757172_100000211913 [0,1,0,0,0,1|1,0,0]=3 2462 B13R0.519 CCCCC(CCC)OCCC(=O)N 7a_100011215800_100000744528 [0,1,0,0,0,1|1,0,0]=3 2463 B13R0.519 CCCCC(CCC)OCCC(C)O 34a_100011215800_100012276601 [0,1,0,0,0,1|1,0,1]=4 2464 B13R0.519 CCCCC(CCC)OCCC(C)O 7a_100011215800_100012276601 [0,1,0,0,0,1|1,0,1]=4 2465 B13R0.519 CCCCC(CCC)OCOC(=O)C 34a_100011215800_100009813279 [0,1,0,0,0,1|2,0,0]=4 2466 B13R0.519 CCCCC(CCC)SCCC(=O)C 62a_100000053229_100000211913 [0,1,0,0,0,1|1,0,0]=3 2467 B13R0.519 CCCCC(CCC)SCCC(=O)C 62a_100000211913_100000053229 [0,1,0,0,0,1|1,0,0]=3 2468 B13R0.519 CCCCC(CCC)SCCC(=O)N 62a_100000211913_100000744528 [0,1,0,0,0,1|1,0,0]=3 2469 B13R0.519 CCCCC(CCC)SCCC(=O)N 62a_100000744528_100000211913 [0,1,0,0,0,1|1,0,0]=3 2470 B13R0.519 CCCCC(CCC)SCCC(C)O 62a_100000211913_100012276601 [0,1,0,0,0,1|1,0,1]=4 2471 B13R0.519 CCCCC(CCC)SCCC(C)O 62a_100012276601_100000211913 [0,1,0,0,0,1|1,0,1]=4 2472 B13R0.519 CCCCC(CCC)SCOC(=O)C 62a_100000076356_100000211913 [0,1,0,0,0,1|2,0,0]=4 2473 B13R0.519 CCCCC(CCC)SCOC(=O)C 62a_100000211913_100000076356 [0,1,0,0,0,1|2,0,0]=4 2474 B13R0.519 CCCCN(CCC)CCCC(=O)C 269982a_200000207744_100011215641 [0,1,0,0,0,1|2,0,0]=4 2475 B13R0.519 CCCCN(CCC)CCCC(=O)N 269982a_200000207744_100102525003 [0,1,0,0,0,1|2,0,0]=4 2476 B13R0.519 CCCCN(CCC)CCNC(=O)C 2230a_200000207744_100000189650 [0,1,0,0,0,1|2,0,0]=4 2477 B13R0.519 CCCCN(CCC)CCNC(=O)C 269982a_200000207744_100000189650 [0,1,0,0,0,1|2,0,0]=4 2478 B13R0.519 CCCCN(CCC)CCNC(=O)N 2230a_200000207744_200000034859 [0,1,0,0,0,1|2,0,0]=4 2479 B13R0.519 CCCCN(CCC)CCNC(=O)N 269982a_200000207744_200000034859 [0,1,0,0,0,1|2,0,0]=4 2480 B13R0.519 CCCCN(CCC)CCOC(=O)C 269982a_200000207744_100009814007 [0,1,0,0,0,1|2,0,0]=4 2481 B13R0.519 CCCCN(CCC)CCOC(=O)N 269982a_200000207744_200011214921 [0,1,0,0,0,1|2,0,0]=4 2482 B13R0.519 CCCCN(CCO)CCCC(=O)C 269982a_100000198060_100011215641 [0,1,0,0,0,1|2,0,0]=4 2483 B13R0.519 CCCCN(CCO)CCCC(=O)N 269982a_100000198060_100102525003 [0,1,0,0,0,1|2,0,0]=4 2484 B13R0.519 CCCCN(CCO)CCNC(=O)C 2230a_100000198060_100000189650 [0,1,0,0,0,1|2,0,0]=4 2485 B13R0.519 CCCCN(CCO)CCNC(=O)C 269982a_100000198060_100000189650 [0,1,0,0,0,1|2,0,0]=4 2486 B13R0.519 CCCCN(CCO)CCNC(=O)N 2230a_100000198060_200000034859 [0,1,0,0,0,1|2,0,0]=4 2487 B13R0.519 CCCCN(CCO)CCNC(=O)N 269982a_100000198060_200000034859 [0,1,0,0,0,1|2,0,0]=4 2488 B13R0.519 CCCCN(CCO)CCOC(=O)C 269982a_100000198060_100009814007 [0,1,0,0,0,1|2,0,0]=4 2489 B13R0.519 CCCCN(CCO)CCOC(=O)N 269982a_100000198060_200011214921 [0,1,0,0,0,1|2,0,0]=4 2490 B13R0.1157 C=C(C)CCOC(CC)CCC(C)C 34a_100011216567_100000730704 [0,1,0,0,0,1|2,0,0]=4 2491 B13R0.1157 C=C(C)CCOC(CC)CCC(C)C 7a_100011216567_100000730704 [0,1,0,0,0,1|2,0,0]=4 2492 B13R0.1157 CCC(CCC(C)C)OCCC(=O)C 7a_100011216567_100000053229 [0,1,0,0,0,1|1,0,0]=3 2493 B13R0.1157 CCC(CCC(C)C)OCCC(=O)N 34a_100011216567_100000731001 [0,1,0,0,0,1|1,0,0]=3 2494 B13R0.1157 CCC(CCC(C)C)OCCC(=O)N 7a_100011216567_100000744528 [0,1,0,0,0,1|1,0,0]=3 2495 B13R0.1157 CCC(CCC(C)C)OCCC(C)O 34a_100011216567_100012276601 [0,1,0,0,0,1|1,0,1]=4 2496 B13R0.1157 CCC(CCC(C)C)OCCC(C)O 7a_100011216567_100012276601 [0,1,0,0,0,1|1,0,1]=4 2497 B13R0.1157 CCC(CCC(C)C)OCOC(=O)C 34a_100011216567_100009813279 [0,1,0,0,0,1|2,0,0]=4 2498 B13R0.1157 CCN(CCCC(=O)C)CCC(C)C 269982a_100000207693_100011215641 [0,1,0,0,0,1|2,0,0]=4 2499 B13R0.1157 CCN(CCCC(=O)N)CCC(C)C 269982a_100000207693_100102525003 [0,1,0,0,0,1|2,0,0]=4 2500 B13R0.1157 CCN(CCNC(=O)C)CCC(C)C 2230a_100000207693_100000189650 [0,1,0,0,0,1|2,0,0]=4 2501 B13R0.1157 CCN(CCNC(=O)C)CCC(C)C 269982a_100000207693_100000189650 [0,1,0,0,0,1|2,0,0]=4 2502 B13R0.1157 CCN(CCNC(=O)N)CCC(C)C 2230a_100000207693_200000034859 [0,1,0,0,0,1|2,0,0]=4 2503 B13R0.1157 CCN(CCNC(=O)N)CCC(C)C 269982a_100000207693_200000034859 [0,1,0,0,0,1|2,0,0]=4 2504 B13R0.1157 CCN(CCOC(=O)C)CCC(C)C 269982a_100000207693_100009814007 [0,1,0,0,0,1|2,0,0]=4 2505 B13R0.1157 CCN(CCOC(=O)N)CCC(C)C 269982a_100000207693_200011214921 [0,1,0,0,0,1|2,0,0]=4 2506 B13R0.1186 C=C(C)CN(C)CC(CC)CCCC 2230a_100000225649_100000211942 [0,1,0,0,0,1|2,0,0]=4 2507 B13R0.1186 C=C(C)CN(C)CC(CC)CCCC 269982a_100000225649_100000211942 [0,1,0,0,0,1|2,0,0]=4 2508 B13R0.1186 C=C(C)CN(C)CC(CC)CCCC 270004a_100000225649_100011219736 [0,1,0,0,0,1|2,0,0]=4 2509 B13R0.1186 CCCCC(CC)CC(=O)CC(=O)N 1458a_100134613110_100000211942 [0,1,0,0,0,1|1,0,0]=3 2510 B13R0.1186 CCCCC(CC)CC(=O)C[C@@H](C)O 1458a_100011933948_100000211942 [0,1,0,0,0,1|1,0,1]=4 2511 B13R0.1186 CCCCC(CC)CN(C)CC(=O)N 2230a_100000739694_100000211942 [0,1,0,0,0,1|1,0,0]=3 2512 B13R0.1186 CCCCC(CC)CN(C)CC(=O)N 270004a_100000739694_100011219736 [0,1,0,0,0,1|1,0,0]=3 2513 B13R0.1186 CCCCC(CC)CN(C)CC(=O)O 269956a_100000746989_100000211942 [0,1,0,0,0,1|0,0,0]=2 2514 B13R0.1186 CCCCC(CC)CN(C)CC(C)O 2230a_100000227577_100000211942 [0,1,0,0,0,1|1,0,1]=4 2515 B13R0.1186 CCCCC(CC)CN(C)CC(C)O 269982a_100000227577_100000211942 [0,1,0,0,0,1|1,0,1]=4 2516 B13R0.1186 CCCCC(CC)CN(C)CC(C)O 270004a_100000227577_100011219736 [0,1,0,0,0,1|1,0,1]=4 2517 B13R0.1186 CCCCC(CC)SC(C)OC(=O)C 62a_100009818208_200011216223 [0,1,0,0,0,1|2,0,0]=4 2518 B13R0.1186 CCCCC(CC)SC(C)OC(=O)C 62a_200011216223_100009818208 [0,1,0,0,0,1|2,0,0]=4 2519 B13R0.1188 C=C(C)C(C)NCC(CC)CCCC 269862a_100000209976_100011216138 [0,1,0,0,0,1|2,0,0]=4 2520 B13R0.1188 CCCCC(CC)CNC(=O)C(=O)N 240690a_100000209976_100011215815 [0,1,0,0,0,1|1,0,1]=4 2521 B13R0.1188 CCCCC(CC)CNC(C)C(=O)C 2230a_100000209976_100009814033 [0,1,0,0,0,1|1,0,0]=3 2522 B13R0.1188 CCCCC(CC)CNC(C)C(=O)N 2230a_100000209976_100000702099 [0,1,0,0,0,1|1,0,0]=3 2523 B13R0.1188 CCCCC(CC)CNC(F)C(=O)N 2230a_100000209976_100009813875 [0,1,0,0,0,1|1,0,0]=3 2524 B13R0.1188 CCCCC(CC)CN[C@@H](C)C(=O)O 269956a_100000743915_100000211942 [0,1,0,0,0,1|0,0,0]=2 2525 B13R0.1188 CCCCC(CC)CN[C@H](C)C(=O)N 2230a_100000119354_100000211942 [0,1,0,0,0,1|1,0,0]=3 2526 B13R0.1188 CCCCC(CC)CN[C@H](C)C(=O)N 270004a_100000119354_100011219736 [0,1,0,0,0,1|1,0,0]=3 2527 B13R0.1188 CCCCC(CC)CN[C@H](C)C(=O)N 34a_100000119354_100000211942 [0,1,0,0,0,1|1,0,0]=3 2528 B13R0.1188 CCCCC(CC)COC(C)C(=O)C 34a_100000212229_100000211942 [0,1,0,0,0,1|1,0,0]=3 2529 B13R0.1188 CCCCC(CC)COC(C)C(=O)C 7a_100000210273_100000179758 [0,1,0,0,0,1|1,0,0]=3 2530 B13R0.1188 CCCCC(CC)COC(C)C(=O)N 34a_100000210273_100000702099 [0,1,0,0,0,1|1,0,0]=3 2531 B13R0.1188 CCCCC(CC)COC(C)C(=O)N 7a_100000210273_100000702099 [0,1,0,0,0,1|1,0,0]=3 2532 B13R0.1188 CCCCC(CC)COC(F)C(=O)N 34a_100000210273_100009813875 [0,1,0,0,0,1|1,0,0]=3 2533 B13R0.1188 CCCCC(CC)COC(F)C(=O)N 7a_100000210273_100009813875 [0,1,0,0,0,1|1,0,0]=3 2534 B13R0.1188 CCCCC(CC)COC(F)C(=O)[O-] 34a_100000210273_100020610796 [0,1,0,0,0,1|0,0,1]=3 2535 B13R0.1188 CCCCC(CC)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211942 [0,1,0,0,0,1|0,0,1]=3 2536 B13R0.1188 CCCCC(CC)CO[C@H](C)C(=O)N 34a_100000731257_100000211942 [0,1,0,0,0,1|1,0,0]=3 2537 B13R0.1188 CCCCC(CC)CO[C@H](C)C(=O)N 7a_100000731257_100000211942 [0,1,0,0,0,1|1,0,0]=3 2538 B13R0.1188 CCCCC(CC)CSC(C)C(=O)C 62a_100000211942_100009814033 [0,1,0,0,0,1|1,0,0]=3 2539 B13R0.1188 CCCCC(CC)CSC(C)C(=O)C 62a_100009814033_100000211942 [0,1,0,0,0,1|1,0,0]=3 2540 B13R0.1188 CCCCC(CC)CSC(C)C(=O)N 62a_100000211942_100000702099 [0,1,0,0,0,1|1,0,0]=3 2541 B13R0.1188 CCCCC(CC)CSC(C)C(=O)N 62a_100000702099_100000211942 [0,1,0,0,0,1|1,0,0]=3 2542 B13R0.1188 CCCCC(CC)CSC(F)C(=O)N 62a_100000211942_100009813875 [0,1,0,0,0,1|1,0,0]=3 2543 B13R0.1188 CCCCC(CC)CSC(F)C(=O)N 62a_100009813875_100000211942 [0,1,0,0,0,1|1,0,0]=3 2544 B13R0.1188 CCCCC(CC)CSC(F)C(=O)[O-] 62a_100000211942_100020610796 [0,1,0,0,0,1|0,0,1]=3 2545 B13R0.1188 CCCCC(CC)CSC(F)C(=O)[O-] 62a_100020610796_100000211942 [0,1,0,0,0,1|0,0,1]=3 2546 B13R0.1188 CCCCC(CC)NCC(C)C(=O)O 269956a_100000749485_200011216223 [0,1,0,0,0,1|0,0,0]=2 2547 B13R0.1188 CCCCC(CC)NCC(F)C(=O)O 269956a_100000084737_200011216223 [0,1,0,0,0,1|0,0,0]=2 2548 B13R0.1188 CCCCC(CC)OCC(=O)C(=O)C 34a_100011215227_100011261029 [0,1,0,0,0,1|1,0,1]=4 2549 B13R0.1188 CCCCC(CC)OCC(C)C(=O)C 34a_100000032740_200011216223 [0,1,0,0,0,1|1,0,0]=3 2550 B13R0.1188 CCCCC(CC)OCC(C)C(=O)C 7a_100000032740_200011216223 [0,1,0,0,0,1|1,0,0]=3 2551 B13R0.1188 CCCCC(CC)OCC(C)[N+](=O)[O-] 34a_100000039676_200011216223 [0,1,0,0,0,1|1,0,1]=4 2552 B13R0.1188 CCCCC(CC)OCC(C)[N+](=O)[O-] 7a_100000039676_200011216223 [0,1,0,0,0,1|1,0,1]=4 2553 B13R0.1188 CCCCC(CC)OC[C@H](N)C(=O)N 34a_100000729942_200011216223 [0,1,0,0,0,1|1,0,0]=3 2554 B13R0.1188 CCCCC(CC)SCC(=O)C(=O)C 62a_100011261029_200011216223 [0,1,0,0,0,1|1,0,1]=4 2555 B13R0.1188 CCCCC(CC)SCC(=O)C(=O)C 62a_200011216223_100011261029 [0,1,0,0,0,1|1,0,1]=4 2556 B13R0.1298 CCCCC(NCCC(C)O)C(C)C 270004a_200000755665_200011215219 [0,1,0,0,0,1|1,0,1]=4 2557 B13R0.1298 CCCCN(CCCC(=O)C)C(C)C 269982a_100000207398_100011215641 [0,1,0,0,0,1|2,0,0]=4 2558 B13R0.1298 CCCCN(CCCC(=O)N)C(C)C 269982a_100000207398_100102525003 [0,1,0,0,0,1|2,0,0]=4 2559 B13R0.1298 CCCCN(CCNC(=O)C)C(C)C 2230a_100000207398_100000189650 [0,1,0,0,0,1|2,0,0]=4 2560 B13R0.1298 CCCCN(CCNC(=O)C)C(C)C 269982a_100000207398_100000189650 [0,1,0,0,0,1|2,0,0]=4 2561 B13R0.1298 CCCCN(CCNC(=O)N)C(C)C 2230a_100000207398_200000034859 [0,1,0,0,0,1|2,0,0]=4 2562 B13R0.1298 CCCCN(CCNC(=O)N)C(C)C 269982a_100000207398_200000034859 [0,1,0,0,0,1|2,0,0]=4 2563 B13R0.1298 CCCCN(CCOC(=O)C)C(C)C 269982a_100000207398_100009814007 [0,1,0,0,0,1|2,0,0]=4 2564 B13R0.1298 CCCCN(CCOC(=O)N)C(C)C 269982a_100000207398_200011214921 [0,1,0,0,0,1|2,0,0]=4 2565 B13R0.342 CCCCC(NCC(=O)O)C(=O)OC 269956a_100016091260_100000750740 [0,2,0,0,0,0|1,0,1]=4 2566 B13R0.342 CCCCN(CCC(=O)C)C(C)CC 269982a_100000207357_100000053229 [0,2,0,0,0,0|2,0,0]=4 2567 B13R0.342 CCCCN(CCC(=O)N)C(C)CC 2230a_100000207357_100000744528 [0,2,0,0,0,0|2,0,0]=4 2568 B13R0.342 CCCCN(CCC(=O)N)C(C)CC 269982a_100000207357_100000744528 [0,2,0,0,0,0|2,0,0]=4 2569 B13R0.391 CCCCCC(CCC(=O)N)OCC 34a_200009835076_100000210202 [0,2,0,0,0,0|1,0,0]=3 2570 B13R0.391 CCCCCC(CCC(=O)N)OCC 7a_200009835076_100000210202 [0,2,0,0,0,0|1,0,0]=3 2571 B13R0.391 CCCCCC(CCC(=O)N)OCF 34a_200009835076_100015361967 [0,2,0,0,0,0|2,0,0]=4 2572 B13R0.391 CCCCCC(CCC(=O)N)OCF 7a_200009835076_100015361967 [0,2,0,0,0,0|2,0,0]=4 2573 B13R0.391 CCCCCC(CCC)OCC(=O)N 34a_200011215058_100000187820 [0,2,0,0,0,0|2,0,0]=4 2574 B13R0.391 CCCCCC(CCC)OCC(=O)N 7a_200011215058_100000187820 [0,2,0,0,0,0|2,0,0]=4 2575 B13R0.391 CCCCCC(CCC)OCC(=O)[O-] 34a_200011215058_100020667443 [0,2,0,0,0,0|1,0,1]=4 2576 B13R0.391 CCCCCN(CCC)CCC(=O)C 269982a_200000226819_100000053229 [0,2,0,0,0,0|2,0,0]=4 2577 B13R0.391 CCCCCN(CCC)CCC(=O)N 2230a_200000226819_100000744528 [0,2,0,0,0,0|2,0,0]=4 2578 B13R0.391 CCCCCN(CCC)CCC(=O)N 269982a_200000226819_100000744528 [0,2,0,0,0,0|2,0,0]=4 2579 B13R0.391 CCCCCN(CCO)CCC(=O)C 269982a_100000224656_100000053229 [0,2,0,0,0,0|2,0,0]=4 2580 B13R0.391 CCCCCN(CCO)CCC(=O)N 2230a_100000224656_100000744528 [0,2,0,0,0,0|2,0,0]=4 2581 B13R0.391 CCCCCN(CCO)CCC(=O)N 269982a_100000224656_100000744528 [0,2,0,0,0,0|2,0,0]=4 2582 B13R0.447 CCCCC(CCC)C(=O)CC(=O)N 1458a_100134613110_100000211913 [0,2,0,0,0,0|1,0,1]=4 2583 B13R0.447 CCCCC(CCC)N(C)CC(=O)O 269956a_100000746989_100000211913 [0,2,0,0,0,0|1,0,0]=3 2584 B13R0.450 CCCCC(CCC)N[C@@H](C)C(=O)O 269956a_100000743915_100000211913 [0,2,0,0,0,0|1,0,0]=3 2585 B13R0.450 CCCCC(CCC)N[C@H](C)C(=O)N 34a_100000119354_100000211913 [0,2,0,0,0,0|2,0,0]=4 2586 B13R0.450 CCCCC(CCC)OC(C)C(=O)C 34a_100000212229_100000211913 [0,2,0,0,0,0|2,0,0]=4 2587 B13R0.450 CCCCC(CCC)OC(C)C(=O)C 7a_100011215800_100000179758 [0,2,0,0,0,0|2,0,0]=4 2588 B13R0.450 CCCCC(CCC)OC(C)C(=O)N 34a_100011215800_100000702099 [0,2,0,0,0,0|2,0,0]=4 2589 B13R0.450 CCCCC(CCC)OC(C)C(=O)N 7a_100011215800_100000702099 [0,2,0,0,0,0|2,0,0]=4 2590 B13R0.450 CCCCC(CCC)OC(F)C(=O)N 34a_100011215800_100009813875 [0,2,0,0,0,0|2,0,0]=4 2591 B13R0.450 CCCCC(CCC)OC(F)C(=O)N 7a_100011215800_100009813875 [0,2,0,0,0,0|2,0,0]=4 2592 B13R0.450 CCCCC(CCC)OC(F)C(=O)[O-] 34a_100011215800_100020610796 [0,2,0,0,0,0|1,0,1]=4 2593 B13R0.450 CCCCC(CCC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000211913 [0,2,0,0,0,0|1,0,1]=4 2594 B13R0.450 CCCCC(CCC)O[C@H](C)C(=O)N 34a_100000731257_100000211913 [0,2,0,0,0,0|2,0,0]=4 2595 B13R0.450 CCCCC(CCC)O[C@H](C)C(=O)N 7a_100000731257_100000211913 [0,2,0,0,0,0|2,0,0]=4 2596 B13R0.450 CCCCC(CCC)SC(C)C(=O)C 62a_100000211913_100009814033 [0,2,0,0,0,0|2,0,0]=4 2597 B13R0.450 CCCCC(CCC)SC(C)C(=O)C 62a_100009814033_100000211913 [0,2,0,0,0,0|2,0,0]=4 2598 B13R0.450 CCCCC(CCC)SC(C)C(=O)N 62a_100000211913_100000702099 [0,2,0,0,0,0|2,0,0]=4 2599 B13R0.450 CCCCC(CCC)SC(C)C(=O)N 62a_100000702099_100000211913 [0,2,0,0,0,0|2,0,0]=4 2600 B13R0.450 CCCCC(CCC)SC(F)C(=O)N 62a_100000211913_100009813875 [0,2,0,0,0,0|2,0,0]=4 2601 B13R0.450 CCCCC(CCC)SC(F)C(=O)N 62a_100009813875_100000211913 [0,2,0,0,0,0|2,0,0]=4 2602 B13R0.450 CCCCC(CCC)SC(F)C(=O)[O-] 62a_100000211913_100020610796 [0,2,0,0,0,0|1,0,1]=4 2603 B13R0.450 CCCCC(CCC)SC(F)C(=O)[O-] 62a_100020610796_100000211913 [0,2,0,0,0,0|1,0,1]=4 2604 B13R0.523 C=CCC(CCCC)OCC(=O)OC 34a_200011216941_100000747449 [0,2,0,0,0,0|1,0,1]=4 2605 B13R0.523 C=CCC(CCCC)OCC(=O)OC 7a_200011216941_100000747449 [0,2,0,0,0,0|1,0,1]=4 2606 B13R0.523 CCCCC(CCC)OCC(=O)CC 34a_100000725409_100000211913 [0,2,0,0,0,0|2,0,0]=4 2607 B13R0.523 CCCCC(CCC)OCC(=O)CC 7a_100011215800_100000747405 [0,2,0,0,0,0|2,0,0]=4 2608 B13R0.523 CCCCC(CCC)OCC(=O)NC 34a_100000750040_100000211913 [0,2,0,0,0,0|2,0,0]=4 2609 B13R0.523 CCCCC(CCC)OCC(=O)NC 34a_100011215800_100000183359 [0,2,0,0,0,0|2,0,0]=4 2610 B13R0.523 CCCCC(CCC)OCC(=O)NC 7a_100011215800_100000183359 [0,2,0,0,0,0|2,0,0]=4 2611 B13R0.523 CCCCC(CCC)OCC(=O)OC 34a_100011215800_100000747449 [0,2,0,0,0,0|1,0,0]=3 2612 B13R0.523 CCCCC(CCC)OCC(=O)OC 7a_100011215800_100000747449 [0,2,0,0,0,0|1,0,0]=3 2613 B13R0.523 CCCCC(CCC)SCC(=O)CC 62a_100000211913_100000747405 [0,2,0,0,0,0|2,0,0]=4 2614 B13R0.523 CCCCC(CCC)SCC(=O)CC 62a_100000747405_100000211913 [0,2,0,0,0,0|2,0,0]=4 2615 B13R0.523 CCCCC(CCC)SCC(=O)NC 62a_100000183359_100000211913 [0,2,0,0,0,0|2,0,0]=4 2616 B13R0.523 CCCCC(CCC)SCC(=O)NC 62a_100000211913_100000183359 [0,2,0,0,0,0|2,0,0]=4 2617 B13R0.523 CCCCC(CCC)SCC(=O)OC 62a_100000211913_100000747449 [0,2,0,0,0,0|1,0,0]=3 2618 B13R0.523 CCCCC(CCC)SCC(=O)OC 62a_100000747449_100000211913 [0,2,0,0,0,0|1,0,0]=3 2619 B13R0.523 CCCCN(CC#N)CCC(=O)OC 2230a_200011192266_100000204255 [0,2,0,0,0,0|1,0,1]=4 2620 B13R0.523 CCCCN(CCC)CCC(=O)NC 2230a_200000207744_100000737683 [0,2,0,0,0,0|2,0,0]=4 2621 B13R0.523 CCCCN(CCC)CCC(=O)NC 269982a_200000207744_100000737683 [0,2,0,0,0,0|2,0,0]=4 2622 B13R0.523 CCCCN(CCC)CCC(=O)OC 2230a_200000207744_100000204255 [0,2,0,0,0,0|1,0,0]=3 2623 B13R0.523 CCCCN(CCC)CCC(=O)OC 269982a_200000207744_100000204255 [0,2,0,0,0,0|1,0,0]=3 2624 B13R0.523 CCCCN(CCO)CCC(=O)NC 2230a_100000198060_100000737683 [0,2,0,0,0,0|2,0,0]=4 2625 B13R0.523 CCCCN(CCO)CCC(=O)NC 269982a_100000198060_100000737683 [0,2,0,0,0,0|2,0,0]=4 2626 B13R0.523 CCCCN(CCO)CCC(=O)OC 2230a_100000198060_100000204255 [0,2,0,0,0,0|1,0,0]=3 2627 B13R0.523 CCCCN(CCO)CCC(=O)OC 269982a_100000198060_100000204255 [0,2,0,0,0,0|1,0,0]=3 2628 B13R0.523 CCCN(CCOC)CCC(=O)OC 2230a_200011192371_100000204255 [0,2,0,0,0,0|2,0,0]=4 2629 B13R0.523 CCCN(CCOC)CCC(=O)OC 269982a_200011192371_100000204255 [0,2,0,0,0,0|2,0,0]=4 2630 B13R0.523 COC(=O)CCN(CCO)CCCO 2230a_200000212863_100000204255 [0,2,0,0,0,0|2,0,0]=4 2631 B13R0.523 COC(=O)CCN(CCO)CCCO 269982a_200000212863_100000204255 [0,2,0,0,0,0|2,0,0]=4 2632 B13R0.1318 CCCCC(CCCC)NCC(=O)N 2230a_200011995792_100000747473 [0,2,0,0,0,0|2,0,0]=4 2633 B13R0.1318 CCCCC(CCCC)NCC(=O)N 34a_200011995792_100000187820 [0,2,0,0,0,0|2,0,0]=4 2634 B13R0.1318 CCCCC(CCCC)NCC(=O)[O-] 34a_200011995792_100020667443 [0,2,0,0,0,0|1,0,1]=4 2635 B13R0.1318 CCCCC(CCCC)OCC(=O)N 34a_200011215786_100000187820 [0,2,0,0,0,0|2,0,0]=4 2636 B13R0.1318 CCCCC(CCCC)OCC(=O)N 7a_200011215786_100000187820 [0,2,0,0,0,0|2,0,0]=4 2637 B13R0.1318 CCCCC(CCCC)OCC(=O)[O-] 34a_200011215786_100020667443 [0,2,0,0,0,0|1,0,1]=4 2638 B13R0.1318 CCCCN(CCC#N)CCC(=O)N 2230a_200000177648_100000744528 [0,2,0,0,0,0|2,0,0]=4 2639 B13R0.1318 CCCCN(CCCC)CCC(=O)C 1458a_100000070787_200015355915 [0,2,0,0,0,0|2,0,0]=4 2640 B13R0.1318 CCCCN(CCCC)CCC(=O)C 269982a_100000684618_100000053229 [0,2,0,0,0,0|2,0,0]=4 2641 B13R0.1318 CCCCN(CCCC)CCC(=O)N 2230a_100000684618_100000744528 [0,2,0,0,0,0|2,0,0]=4 2642 B13R0.1318 CCCCN(CCCC)CCC(=O)N 269982a_100000684618_100000744528 [0,2,0,0,0,0|2,0,0]=4 2643 B13R0.1318 CCCCN(CCOC)CCC(=O)C 269982a_100000207391_100000053229 [0,2,0,0,0,0|2,0,0]=4 2644 B13R0.1318 CCCCN(CCOC)CCC(=O)N 2230a_100000207391_100000744528 [0,2,0,0,0,0|2,0,0]=4 2645 B13R0.1318 CCCCN(CCOC)CCC(=O)N 269982a_100000207391_100000744528 [0,2,0,0,0,0|2,0,0]=4 2646 B13R0.53 CC(C)CCN(CCC(=O)N)C(C)C 2230a_100011191440_100000210312 [0,2,0,0,0,0|2,0,0]=4 2647 B13R0.53 CC(C)CCN(CCC(=O)N)C(C)C 269982a_100011191440_100000210312 [0,2,0,0,0,0|2,0,0]=4 2648 B13R0.53 CC(O)CCN(CCC(=O)N)C(C)C 2230a_100011191440_100012276601 [0,2,0,0,0,0|2,0,0]=4 2649 B13R0.53 CC(O)CCN(CCC(=O)N)C(C)C 269982a_100011191440_100012276601 [0,2,0,0,0,0|2,0,0]=4 2650 B13R0.160 CCCCC(N[C@H](C)C(=O)N)C(C)C 270004a_100000119354_200011215219 [0,2,0,0,0,0|2,0,0]=4 2651 B13R0.256 CCC(C)CN(CCC(=O)N)C(C)C 2230a_100011191440_100000748023 [0,2,0,0,0,0|2,0,0]=4 2652 B13R0.256 CCC(C)CN(CCC(=O)N)C(C)C 269982a_100011191440_100000748023 [0,2,0,0,0,0|2,0,0]=4 2653 B13R0.256 CCC(C)CN(CCC(=O)N)C(C)C 270004a_100011191440_100000243153 [0,2,0,0,0,0|2,0,0]=4 2654 B13R0.256 CCC(O)CN(CCC(=O)N)C(C)C 2230a_100011191440_100011218378 [0,2,0,0,0,0|2,0,0]=4 2655 B13R0.256 CCC(O)CN(CCC(=O)N)C(C)C 269982a_100011191440_100011218378 [0,2,0,0,0,0|2,0,0]=4 2656 B13R0.256 CC[C@H](C)CN(CCC(=O)N)C(C)C 2230a_100011191440_100009816398 [0,2,0,0,0,0|2,0,0]=4 2657 B13R0.256 CC[C@H](C)CN(CCC(=O)N)C(C)C 269982a_100011191440_100009816398 [0,2,0,0,0,0|2,0,0]=4 2658 B13R0.346 CC(=O)CCN(CCCCO)C(C)C 269982a_100011521146_100000053229 [0,2,0,0,0,0|2,0,0]=4 2659 B13R0.346 CC(C)N(CCCCF)CCC(=O)N 2230a_100011191440_100000729493 [0,2,0,0,0,0|2,0,0]=4 2660 B13R0.346 CC(C)N(CCCCF)CCC(=O)N 269982a_100011191440_100000729493 [0,2,0,0,0,0|2,0,0]=4 2661 B13R0.346 CC(C)N(CCCCO)CCC(=O)N 2230a_100011191440_100000210776 [0,2,0,0,0,0|2,0,0]=4 2662 B13R0.346 CC(C)N(CCCCO)CCC(=O)N 2230a_100011521146_100000744528 [0,2,0,0,0,0|2,0,0]=4 2663 B13R0.346 CC(C)N(CCCCO)CCC(=O)N 269982a_100011191440_100000210776 [0,2,0,0,0,0|2,0,0]=4 2664 B13R0.346 CC(C)N(CCCCO)CCC(=O)N 269982a_100011521146_100000744528 [0,2,0,0,0,0|2,0,0]=4 2665 B13R0.346 CCCCCC(OCC(=O)N)C(C)C 34a_200011216997_100000187820 [0,2,0,0,0,0|2,0,0]=4 2666 B13R0.346 CCCCCC(OCC(=O)N)C(C)C 7a_200011216997_100000187820 [0,2,0,0,0,0|2,0,0]=4 2667 B13R0.346 CCCCCC(OCC(=O)[O-])C(C)C 34a_200011216997_100020667443 [0,2,0,0,0,0|1,0,1]=4 2668 B13R0.346 CCCCCN(CCC(=O)C)C(C)C 269982a_100000223497_100000053229 [0,2,0,0,0,0|2,0,0]=4 2669 B13R0.346 CCCCCN(CCC(=O)N)C(C)C 2230a_100000223497_100000744528 [0,2,0,0,0,0|2,0,0]=4 2670 B13R0.346 CCCCCN(CCC(=O)N)C(C)C 2230a_100011191440_100000210326 [0,2,0,0,0,0|2,0,0]=4 2671 B13R0.346 CCCCCN(CCC(=O)N)C(C)C 269982a_100000223497_100000744528 [0,2,0,0,0,0|2,0,0]=4 2672 B13R0.346 CCCCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000210215 [0,2,0,0,0,0|2,0,0]=4 2673 B13R0.346 CCOCCN(CCC(=O)N)C(C)C 2230a_100011191440_100011215890 [0,2,0,0,0,0|2,0,0]=4 2674 B13R0.346 CCOCCN(CCC(=O)N)C(C)C 269982a_100011191440_100011215890 [0,2,0,0,0,0|2,0,0]=4 2675 B13R0.346 CCSCCN(CCC(=O)N)C(C)C 2230a_100011191440_100000757381 [0,2,0,0,0,0|2,0,0]=4 2676 B13R0.346 CCSCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000757381 [0,2,0,0,0,0|2,0,0]=4 2677 B13R0.346 COCCCN(CCC(=O)N)C(C)C 2230a_100011191440_100000740836 [0,2,0,0,0,0|2,0,0]=4 2678 B13R0.346 COCCCN(CCC(=O)N)C(C)C 269982a_100011191440_100000740836 [0,2,0,0,0,0|2,0,0]=4 2679 B13R0.375 CCCC(C)C(OCC(=O)N)C(C)C 34a_200011290769_100000187820 [0,2,0,0,0,0|2,0,0]=4 2680 B13R0.375 CCCC(C)C(OCC(=O)N)C(C)C 7a_200011290769_100000187820 [0,2,0,0,0,0|2,0,0]=4 2681 B13R0.375 CCCC(C)C(OCC(=O)[O-])C(C)C 34a_200011290769_100020667443 [0,2,0,0,0,0|1,0,1]=4 2682 B13R0.375 CCCC(C)N(CCC(=O)N)C(C)C 2230a_100011191440_100000766640 [0,2,0,0,0,0|2,0,0]=4 2683 B13R0.375 CCCC(C)N(CCC(=O)N)C(C)C 269982a_100011191440_100000766640 [0,2,0,0,0,0|2,0,0]=4 2684 B13R0.375 CCCC(C)N(CCC(=O)N)C(C)C 270004a_100011191440_100000211909 [0,2,0,0,0,0|2,0,0]=4 2685 B13R0.1300 CCCCC(NCC(=O)NC)C(C)C 270004a_100000693194_200011215219 [0,2,0,0,0,0|2,0,0]=4 2686 B13R0.1300 CCCCN(CCC(=O)NC)C(C)C 2230a_100000207398_100000737683 [0,2,0,0,0,0|2,0,0]=4 2687 B13R0.1300 CCCCN(CCC(=O)NC)C(C)C 269982a_100000207398_100000737683 [0,2,0,0,0,0|2,0,0]=4 2688 B13R0.1300 CCCCN(CCC(=O)OC)C(C)C 2230a_100000207398_100000204255 [0,2,0,0,0,0|1,0,0]=3 2689 B13R0.1300 CCCCN(CCC(=O)OC)C(C)C 2230a_100000228967_100000210211 [0,2,0,0,0,0|1,0,0]=3 2690 B13R0.1300 CCCCN(CCC(=O)OC)C(C)C 269982a_100000207398_100000204255 [0,2,0,0,0,0|1,0,0]=3 2691 B13R0.1300 CCCCN(CCC(=O)OC)C(C)C 269982a_100000228967_100000210211 [0,2,0,0,0,0|1,0,0]=3 2692 B13R0.1300 CCOCN(CCC(=O)OC)C(C)C 269982a_100000228967_100000739092 [0,2,0,0,0,0|2,0,0]=4 2693 B13R0.1300 COC(=O)CCN(CCCF)C(C)C 2230a_100000228967_100011934791 [0,2,0,0,0,0|2,0,0]=4 2694 B13R0.1300 COC(=O)CCN(CCCF)C(C)C 269982a_100000228967_100011934791 [0,2,0,0,0,0|2,0,0]=4 2695 B13R0.1300 COC(=O)CCN(CCCO)C(C)C 2230a_100000182298_100000204255 [0,2,0,0,0,0|2,0,0]=4 2696 B13R0.1300 COC(=O)CCN(CCCO)C(C)C 2230a_100000228967_100000230001 [0,2,0,0,0,0|2,0,0]=4 2697 B13R0.1300 COC(=O)CCN(CCCO)C(C)C 269982a_100000182298_100000204255 [0,2,0,0,0,0|2,0,0]=4 2698 B13R0.1300 COC(=O)CCN(CCCO)C(C)C 269982a_100000228967_100011215043 [0,2,0,0,0,0|2,0,0]=4 2699 B13R0.1300 COC(=O)CCN(CCSC)C(C)C 2230a_100000228967_100000751147 [0,2,0,0,0,0|2,0,0]=4 2700 B13R0.1300 COC(=O)CCN(CCSC)C(C)C 269982a_100000228967_100000212216 [0,2,0,0,0,0|2,0,0]=4 2701 B13R0.1300 COCCN(CCC(=O)OC)C(C)C 2230a_100000228967_100011201679 [0,2,0,0,0,0|2,0,0]=4 2702 B13R0.1300 COCCN(CCC(=O)OC)C(C)C 2230a_200000223778_100000204255 [0,2,0,0,0,0|2,0,0]=4 2703 B13R0.1300 COCCN(CCC(=O)OC)C(C)C 269982a_100000228967_100000233755 [0,2,0,0,0,0|2,0,0]=4 2704 B13R0.1300 COCCN(CCC(=O)OC)C(C)C 269982a_200000223778_100000204255 [0,2,0,0,0,0|2,0,0]=4 2705 B13R0.1310 CCCCC(C(C)C)N(C)CC(=O)N 270004a_100000739694_200011215219 [0,2,0,0,0,0|2,0,0]=4 2706 B13R0.1677 CCCCC(C)(OCC(=O)N)C(C)C 7a_200011215085_100000187820 [0,2,0,0,0,0|2,0,0]=4 2707 B13R0.84 CCCC(C)C(CC)OC(C)C(=O)C 7a_200011218412_100000179758 [0,2,0,0,0,0|2,0,0]=4 2708 B13R0.84 CCCC(C)C(CC)OC(C)C(=O)N 34a_200011218412_100000702099 [0,2,0,0,0,0|2,0,0]=4 2709 B13R0.84 CCCC(C)C(CC)OC(C)C(=O)N 7a_200011218412_100000702099 [0,2,0,0,0,0|2,0,0]=4 2710 B13R0.84 CCCC(C)C(CC)OC(F)C(=O)N 34a_200011218412_100009813875 [0,2,0,0,0,0|2,0,0]=4 2711 B13R0.84 CCCC(C)C(CC)OC(F)C(=O)N 7a_200011218412_100009813875 [0,2,0,0,0,0|2,0,0]=4 2712 B13R0.84 CCCC(C)C(CC)OC(F)C(=O)[O-] 34a_200011218412_100020610796 [0,2,0,0,0,0|1,0,1]=4 2713 B13R0.108 CCC(C)C(C)N(CC)CCC(=O)N 270004a_100020645749_100000210599 [0,2,0,0,0,0|2,0,0]=4 2714 B13R0.129 CCCCC(=O)N(CC)CCC(=O)N 11a_100020645749_100000210183 [0,2,0,0,0,0|2,0,0]=4 2715 B13R0.129 CCCCC(=O)N(CC)CCC(=O)N 1626a_100020645749_100000210183 [0,2,0,0,0,0|2,0,0]=4 2716 B13R0.129 CCCCC(=O)N(CC)CCC(=O)N 240690a_100020645749_100000210183 [0,2,0,0,0,0|2,0,0]=4 2717 B13R0.129 CCCCC(=O)N(CC)CCC(=O)N 527a_100020645749_100000210183 [0,2,0,0,0,0|2,0,0]=4 2718 B13R0.129 CCCCC(C)N(CC)CCC(=O)N 2230a_100020645749_200011215066 [0,2,0,0,0,0|2,0,0]=4 2719 B13R0.129 CCCCC(C)N(CC)CCC(=O)N 270004a_100020645749_100000210087 [0,2,0,0,0,0|2,0,0]=4 2720 B13R0.129 CCCNC(=O)C(CC)NCC(=O)O 269956a_100016091260_200011763335 [0,2,0,0,0,0|1,0,1]=4 2721 B13R0.129 CCN(CCC(=O)N)C(C)CCOC 270004a_100020645749_100000742357 [0,2,0,0,0,0|2,0,0]=4 2722 B13R0.129 CCN(CCC(=O)N)C(C)CCSC 270004a_100020645749_100011217047 [0,2,0,0,0,0|2,0,0]=4 2723 B13R0.129 CCSCC(C)N(CC)CCC(=O)N 270004a_100020645749_200011216171 [0,2,0,0,0,0|2,0,0]=4 2724 B13R0.321 CCCC(CC)N(CC)CCC(=O)N 270004a_100020645749_100000687865 [0,2,0,0,0,0|2,0,0]=4 2725 B13R0.748 CCCC(=O)N(CC)CCC(=O)OC 11a_100000229097_100000211992 [0,2,0,0,0,0|1,0,1]=4 2726 B13R0.748 CCCC(=O)N(CC)CCC(=O)OC 1626a_100000229097_100000211992 [0,2,0,0,0,0|1,0,1]=4 2727 B13R0.748 CCCC(=O)N(CC)CCC(=O)OC 240690a_100000229097_100000211992 [0,2,0,0,0,0|1,0,1]=4 2728 B13R0.748 CCCC(=O)N(CC)CCC(=O)OC 527a_100000229097_100000211992 [0,2,0,0,0,0|1,0,1]=4 2729 B13R0.748 CCCC(C)C(CC)OCC(=O)CC 7a_200011218412_100000747405 [0,2,0,0,0,0|2,0,0]=4 2730 B13R0.748 CCCC(C)C(CC)OCC(=O)NC 34a_200011218412_100000183359 [0,2,0,0,0,0|2,0,0]=4 2731 B13R0.748 CCCC(C)C(CC)OCC(=O)NC 7a_200011218412_100000183359 [0,2,0,0,0,0|2,0,0]=4 2732 B13R0.748 CCCC(C)C(CC)OCC(=O)OC 34a_200011218412_100000747449 [0,2,0,0,0,0|1,0,0]=3 2733 B13R0.748 CCCC(C)C(CC)OCC(=O)OC 7a_200011218412_100000747449 [0,2,0,0,0,0|1,0,0]=3 2734 B13R0.748 CCCC(C)N(CC)CCC(=O)OC 2230a_100000229097_100000766640 [0,2,0,0,0,0|1,0,0]=3 2735 B13R0.748 CCCC(C)N(CC)CCC(=O)OC 269982a_100000229097_100000766640 [0,2,0,0,0,0|1,0,0]=3 2736 B13R0.748 CCCC(C)N(CC)CCC(=O)OC 270004a_100000229097_100000211909 [0,2,0,0,0,0|1,0,0]=3 2737 B13R0.748 CCN(CCC(=O)OC)C(C)CCO 2230a_100000229097_100009893172 [0,2,0,0,0,0|2,0,0]=4 2738 B13R0.748 CCN(CCC(=O)OC)C(C)CCO 2230a_100011935059_100000204255 [0,2,0,0,0,0|2,0,0]=4 2739 B13R0.748 CCN(CCC(=O)OC)C(C)CCO 269982a_100000229097_100009893172 [0,2,0,0,0,0|2,0,0]=4 2740 B13R0.748 CCN(CCC(=O)OC)C(C)CCO 269982a_100011935059_100000204255 [0,2,0,0,0,0|2,0,0]=4 2741 B13R0.748 CCN(CCC(=O)OC)C(C)COC 2230a_100000229097_100000765312 [0,2,0,0,0,0|2,0,0]=4 2742 B13R0.748 CCN(CCC(=O)OC)C(C)COC 269982a_100000229097_100000765312 [0,2,0,0,0,0|2,0,0]=4 2743 B13R0.748 CCN(CCC(=O)OC)C(C)COC 270004a_100000229097_100000749346 [0,2,0,0,0,0|2,0,0]=4 2744 B13R0.748 CCN(CCC(=O)OC)C(C)CSC 270004a_100000229097_100011216314 [0,2,0,0,0,0|2,0,0]=4 2745 B13R0.1876 CCN(CCC(=O)N)C(C)CC(C)C 2230a_100020645749_100000731052 [0,2,0,0,0,0|2,0,0]=4 2746 B13R0.26 CCCC(=O)CN(CC)CCC(=O)N 2230a_100020645749_100000747444 [0,2,0,0,0,0|2,0,0]=4 2747 B13R0.26 CCCC(C)CN(CC)CCC(=O)N 2230a_100020645749_100011216630 [0,2,0,0,0,0|2,0,0]=4 2748 B13R0.26 CCCC(C)CN(CC)CCC(=O)N 270004a_100020645749_100000243154 [0,2,0,0,0,0|2,0,0]=4 2749 B13R0.144 CCCCCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100011215316 [0,2,0,0,0,0|2,0,0]=4 2750 B13R0.144 CCCCCC(CC)OC(C)C(=O)C 7a_100011215405_100000179758 [0,2,0,0,0,0|2,0,0]=4 2751 B13R0.144 CCCCCC(CC)OC(C)C(=O)N 34a_100011215405_100000702099 [0,2,0,0,0,0|2,0,0]=4 2752 B13R0.144 CCCCCC(CC)OC(C)C(=O)N 7a_100011215405_100000702099 [0,2,0,0,0,0|2,0,0]=4 2753 B13R0.144 CCCCCC(CC)OC(F)C(=O)N 34a_100011215405_100009813875 [0,2,0,0,0,0|2,0,0]=4 2754 B13R0.144 CCCCCC(CC)OC(F)C(=O)N 7a_100011215405_100009813875 [0,2,0,0,0,0|2,0,0]=4 2755 B13R0.144 CCCCCC(CC)OC(F)C(=O)[O-] 34a_100011215405_100020610796 [0,2,0,0,0,0|1,0,1]=4 2756 B13R0.285 C#CCCCCN(CC)CCC(=O)N 2230a_100020645749_100010269958 [0,2,0,0,0,0|2,0,0]=4 2757 B13R0.285 C=CCCCCN(CC)CCC(=O)N 2230a_100020645749_100011215482 [0,2,0,0,0,0|2,0,0]=4 2758 B13R0.285 CC/C=C\CCN(CC)CCC(=O)N 2230a_100020645749_100015370543 [0,2,0,0,0,0|2,0,0]=4 2759 B13R0.285 CCCCCCC(CC)OCC(=O)N 34a_100011215785_100000187820 [0,2,0,0,0,0|2,0,0]=4 2760 B13R0.285 CCCCCCC(CC)OCC(=O)N 7a_100011215785_100000187820 [0,2,0,0,0,0|2,0,0]=4 2761 B13R0.285 CCCCCCC(CC)OCC(=O)[O-] 34a_100011215785_100020667443 [0,2,0,0,0,0|1,0,1]=4 2762 B13R0.285 CCCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210314 [0,2,0,0,0,0|2,0,0]=4 2763 B13R0.285 CCCCOCN(CC)CCC(=O)N 2230a_100020645749_100011995733 [0,2,0,0,0,0|2,0,0]=4 2764 B13R0.285 CCCOCCN(CC)CCC(=O)N 2230a_100020645749_100011215938 [0,2,0,0,0,0|2,0,0]=4 2765 B13R0.285 CCN(CCC(=O)N)COCCOC 2230a_100020645749_100000231047 [0,2,0,0,0,0|2,0,0]=4 2766 B13R0.285 CCN(CCCCC#N)CCC(=O)N 2230a_100020645749_100000211819 [0,2,0,0,0,0|2,0,0]=4 2767 B13R0.285 CCN(CCCCC=O)CCC(=O)N 2230a_100020645749_100000139335 [0,2,0,0,0,0|2,0,0]=4 2768 B13R0.285 CCN(CCCCCF)CCC(=O)N 2230a_100020645749_100000729378 [0,2,0,0,0,0|2,0,0]=4 2769 B13R0.285 CCN(CCCCCO)CCC(=O)N 2230a_100020645749_100000746330 [0,2,0,0,0,0|2,0,0]=4 2770 B13R0.285 CCN(CCCCOC)CCC(=O)N 2230a_100020645749_100000730899 [0,2,0,0,0,0|2,0,0]=4 2771 B13R0.285 CCN(CCOCCO)CCC(=O)N 2230a_100020645749_100011215305 [0,2,0,0,0,0|2,0,0]=4 2772 B13R0.285 CCOCCCN(CC)CCC(=O)N 2230a_100020645749_100012232248 [0,2,0,0,0,0|2,0,0]=4 2773 B13R0.435 C=C(C)CCN(CC)CCC(=O)OC 2230a_100000229097_100000730704 [0,2,0,0,0,0|1,0,1]=4 2774 B13R0.435 C=C(C)CCN(CC)CCC(=O)OC 269982a_100000229097_100000730704 [0,2,0,0,0,0|1,0,1]=4 2775 B13R0.435 CCC(=O)COC(CC)CCC(C)C 7a_100011216567_100000747405 [0,2,0,0,0,0|2,0,0]=4 2776 B13R0.435 CCC(CCC(C)C)OCC(=O)NC 34a_100011216567_100000183359 [0,2,0,0,0,0|2,0,0]=4 2777 B13R0.435 CCC(CCC(C)C)OCC(=O)NC 7a_100011216567_100000183359 [0,2,0,0,0,0|2,0,0]=4 2778 B13R0.435 CCC(CCC(C)C)OCC(=O)OC 34a_100011216567_100000747449 [0,2,0,0,0,0|1,0,0]=3 2779 B13R0.435 CCC(CCC(C)C)OCC(=O)OC 7a_100011216567_100000747449 [0,2,0,0,0,0|1,0,0]=3 2780 B13R0.435 CCN(CCC(=O)C)CCC(=O)OC 269982a_100000229097_100000053229 [0,2,0,0,0,0|1,0,1]=4 2781 B13R0.435 CCN(CCC(=O)NC)CCC(C)C 2230a_100000207693_100000737683 [0,2,0,0,0,0|2,0,0]=4 2782 B13R0.435 CCN(CCC(=O)NC)CCC(C)C 269982a_100000207693_100000737683 [0,2,0,0,0,0|2,0,0]=4 2783 B13R0.435 CCN(CCC(=O)OC)CCC(C)C 2230a_100000207693_100000204255 [0,2,0,0,0,0|1,0,0]=3 2784 B13R0.435 CCN(CCC(=O)OC)CCC(C)C 2230a_100000229097_100000210312 [0,2,0,0,0,0|1,0,0]=3 2785 B13R0.435 CCN(CCC(=O)OC)CCC(C)C 269982a_100000207693_100000204255 [0,2,0,0,0,0|1,0,0]=3 2786 B13R0.435 CCN(CCC(=O)OC)CCC(C)C 269982a_100000229097_100000210312 [0,2,0,0,0,0|1,0,0]=3 2787 B13R0.435 CCN(CCC(=O)OC)CCC(C)O 2230a_100000229097_100012276601 [0,2,0,0,0,0|1,0,0]=3 2788 B13R0.435 CCN(CCC(=O)OC)CCC(C)O 269982a_100000229097_100012276601 [0,2,0,0,0,0|1,0,0]=3 2789 B13R0.435 CCN(CCC(=O)OC)CCN(C)C 269982a_100000225870_100000204255 [0,2,0,0,0,0|2,0,0]=4 2790 B13R0.435 CCN(CCC(=O)OC)CCN(C)C 269982a_100000229097_100000755713 [0,2,0,0,0,0|2,0,0]=4 2791 B13R0.435 CCN(CCC(=O)OC)COC(C)C 2230a_100000229097_100000709892 [0,2,0,0,0,0|2,0,0]=4 2792 B13R0.435 CCN(CCC(=O)OC)COC(C)C 269982a_100000229097_100000709892 [0,2,0,0,0,0|2,0,0]=4 2793 B13R0.472 CCCCCC(CC)C(=O)CC(=O)N 1458a_100000697129_100000187820 [0,2,0,0,0,0|1,0,1]=4 2794 B13R0.472 CCCCCC(CC)C(=O)CC(=O)[O-] 1458a_100000697129_100020667443 [0,2,0,0,0,0|0,0,2]=4 2795 B13R0.472 CCCCCC(CC)N(C)CC(=O)N 270004a_100000739694_100011215316 [0,2,0,0,0,0|2,0,0]=4 2796 B13R0.1052 C#CCCCN(CC)CCC(=O)OC 2230a_100000229097_100000731252 [0,2,0,0,0,0|1,0,1]=4 2797 B13R0.1052 C#CCCCN(CC)CCC(=O)OC 269982a_100000229097_100011215417 [0,2,0,0,0,0|1,0,1]=4 2798 B13R0.1052 C=CCCCN(CC)CCC(=O)OC 2230a_100000229097_100011713584 [0,2,0,0,0,0|1,0,1]=4 2799 B13R0.1052 C=CCCCN(CC)CCC(=O)OC 269982a_100000229097_100000757094 [0,2,0,0,0,0|1,0,1]=4 2800 B13R0.1052 CC/C=C\CN(CC)CCC(=O)OC 2230a_100000229097_100103147603 [0,2,0,0,0,0|1,0,1]=4 2801 B13R0.1052 CC/C=C\CN(CC)CCC(=O)OC 269982a_100000229097_100103147603 [0,2,0,0,0,0|1,0,1]=4 2802 B13R0.1052 CCC#CCN(CC)CCC(=O)OC 2230a_100000229097_100009813939 [0,2,0,0,0,0|1,0,1]=4 2803 B13R0.1052 CCCCCC(CC)NCC(=O)NC 270004a_100000693194_100011215316 [0,2,0,0,0,0|2,0,0]=4 2804 B13R0.1052 CCCCCC(CC)OCC(=O)CC 7a_100011215405_100000747405 [0,2,0,0,0,0|2,0,0]=4 2805 B13R0.1052 CCCCCC(CC)OCC(=O)NC 34a_100011215405_100000183359 [0,2,0,0,0,0|2,0,0]=4 2806 B13R0.1052 CCCCCC(CC)OCC(=O)NC 7a_100011215405_100000183359 [0,2,0,0,0,0|2,0,0]=4 2807 B13R0.1052 CCCCCC(CC)OCC(=O)OC 34a_100011215405_100000747449 [0,2,0,0,0,0|1,0,0]=3 2808 B13R0.1052 CCCCCC(CC)OCC(=O)OC 7a_100011215405_100000747449 [0,2,0,0,0,0|1,0,0]=3 2809 B13R0.1052 CCCCCN(CC)CCC(=O)OC 2230a_100000229097_100000210326 [0,2,0,0,0,0|1,0,0]=3 2810 B13R0.1052 CCCCCN(CC)CCC(=O)OC 269982a_100000229097_100000210215 [0,2,0,0,0,0|1,0,0]=3 2811 B13R0.1052 CCCNN=C(CC)CCC(=O)OC 4a_100000740057_200011517666 [0,2,0,0,0,0|1,0,1]=4 2812 B13R0.1052 CCN(CCCC#N)CCC(=O)OC 2230a_100000229097_100000687738 [0,2,0,0,0,0|1,0,1]=4 2813 B13R0.1052 CCN(CCCC#N)CCC(=O)OC 269982a_100000229097_100000687738 [0,2,0,0,0,0|1,0,1]=4 2814 B13R0.1052 CCN(CCCC=O)CCC(=O)OC 2230a_100000229097_200011292268 [0,2,0,0,0,0|1,0,1]=4 2815 B13R0.1052 CCN(CCCC=O)CCC(=O)OC 269982a_100000229097_200011292268 [0,2,0,0,0,0|1,0,1]=4 2816 B13R0.1052 CCN(CCCCF)CCC(=O)OC 2230a_100000229097_100000729493 [0,2,0,0,0,0|1,0,0]=3 2817 B13R0.1052 CCN(CCCCF)CCC(=O)OC 269982a_100000229097_100000729493 [0,2,0,0,0,0|1,0,0]=3 2818 B13R0.1052 CCN(CCCCO)CCC(=O)NC 2230a_100011217355_100000737683 [0,2,0,0,0,0|2,0,0]=4 2819 B13R0.1052 CCN(CCCCO)CCC(=O)NC 269982a_100011217355_100000737683 [0,2,0,0,0,0|2,0,0]=4 2820 B13R0.1052 CCN(CCCCO)CCC(=O)OC 2230a_100000229097_100000210776 [0,2,0,0,0,0|1,0,0]=3 2821 B13R0.1052 CCN(CCCCO)CCC(=O)OC 2230a_100011217355_100000204255 [0,2,0,0,0,0|1,0,0]=3 2822 B13R0.1052 CCN(CCCCO)CCC(=O)OC 269982a_100000229097_100000210776 [0,2,0,0,0,0|1,0,0]=3 2823 B13R0.1052 CCN(CCCCO)CCC(=O)OC 269982a_100011217355_100000204255 [0,2,0,0,0,0|1,0,0]=3 2824 B13R0.1052 CCN(CCCOC)CCC(=O)OC 2230a_100000229097_100000740836 [0,2,0,0,0,0|1,0,0]=3 2825 B13R0.1052 CCN(CCCOC)CCC(=O)OC 269982a_100000229097_100000740836 [0,2,0,0,0,0|1,0,0]=3 2826 B13R0.1052 CCNN=CC(CC)CCC(=O)OC 4a_100000756455_100000103812 [0,2,0,0,0,0|1,0,1]=4 2827 B13R0.1052 CCOCCN(CC)CCC(=O)OC 2230a_100000229097_100011215890 [0,2,0,0,0,0|1,0,0]=3 2828 B13R0.1052 CCOCCN(CC)CCC(=O)OC 269982a_100000229097_100011215890 [0,2,0,0,0,0|1,0,0]=3 2829 B13R0.1052 CCSCCN(CC)CCC(=O)OC 2230a_100000229097_100000757381 [0,2,0,0,0,0|1,0,0]=3 2830 B13R0.1052 CCSCCN(CC)CCC(=O)OC 269982a_100000229097_100000757381 [0,2,0,0,0,0|1,0,0]=3 2831 B13R0.199 CCC(C)CC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000184709 [0,2,0,0,0,0|2,0,0]=4 2832 B13R0.199 CCC(C)CC(CC)OC(C)C(=O)C 7a_200011216566_100000179758 [0,2,0,0,0,0|2,0,0]=4 2833 B13R0.199 CCC(C)CC(CC)OC(C)C(=O)N 7a_200011216566_100000702099 [0,2,0,0,0,0|2,0,0]=4 2834 B13R0.199 CCC(C)CC(CC)OC(F)C(=O)N 7a_200011216566_100009813875 [0,2,0,0,0,0|2,0,0]=4 2835 B13R0.436 CCC(=O)CN(CC)CCC(=O)OC 269982a_100000229097_100000747405 [0,2,0,0,0,0|1,0,1]=4 2836 B13R0.436 CCC(=O)COC(CC)CC(C)CC 7a_200011216566_100000747405 [0,2,0,0,0,0|2,0,0]=4 2837 B13R0.436 CCC(C)CC(CC)NCC(=O)NC 270004a_100000693194_100000184709 [0,2,0,0,0,0|2,0,0]=4 2838 B13R0.436 CCC(C)CC(CC)OCC(=O)NC 7a_200011216566_100000183359 [0,2,0,0,0,0|2,0,0]=4 2839 B13R0.436 CCC(C)CC(CC)OCC(=O)OC 7a_200011216566_100000747449 [0,2,0,0,0,0|1,0,0]=3 2840 B13R0.436 CCC(C)CN(CC)CCC(=O)OC 2230a_100000229097_100000748023 [0,2,0,0,0,0|1,0,0]=3 2841 B13R0.436 CCC(C)CN(CC)CCC(=O)OC 269982a_100000229097_100000748023 [0,2,0,0,0,0|1,0,0]=3 2842 B13R0.436 CCC(C)CN(CC)CCC(=O)OC 270004a_100000229097_100000243153 [0,2,0,0,0,0|1,0,0]=3 2843 B13R0.436 CCC(O)CN(CC)CCC(=O)NC 2230a_100011365200_100000737683 [0,2,0,0,0,0|2,0,0]=4 2844 B13R0.436 CCC(O)CN(CC)CCC(=O)NC 269982a_100011365200_100000737683 [0,2,0,0,0,0|2,0,0]=4 2845 B13R0.436 CCC(O)CN(CC)CCC(=O)OC 2230a_100000229097_100011218378 [0,2,0,0,0,0|1,0,0]=3 2846 B13R0.436 CCC(O)CN(CC)CCC(=O)OC 2230a_100011365200_100000204255 [0,2,0,0,0,0|1,0,0]=3 2847 B13R0.436 CCC(O)CN(CC)CCC(=O)OC 269982a_100000229097_100011218378 [0,2,0,0,0,0|1,0,0]=3 2848 B13R0.436 CCC(O)CN(CC)CCC(=O)OC 269982a_100011365200_100000204255 [0,2,0,0,0,0|1,0,0]=3 2849 B13R0.436 CCN(CCC(=O)OC)CC(O)CO 2230a_100000229097_100011219619 [0,2,0,0,0,0|2,0,0]=4 2850 B13R0.436 CCN(CCC(=O)OC)C[C@@H](C)CO 2230a_100000229097_100000059175 [0,2,0,0,0,0|2,0,0]=4 2851 B13R0.436 CCN(CCC(=O)OC)C[C@@H](C)CO 269982a_100000229097_100000059175 [0,2,0,0,0,0|2,0,0]=4 2852 B13R0.436 CCN(CCC(=O)OC)C[C@@H](O)CF 2230a_100000229097_100015614560 [0,2,0,0,0,0|2,0,0]=4 2853 B13R0.436 CCN(CCC(=O)OC)C[C@@H](O)CO 2230a_100000229097_100009815848 [0,2,0,0,0,0|2,0,0]=4 2854 B13R0.436 CC[C@H](C)CN(CC)CCC(=O)OC 2230a_100000229097_100009816398 [0,2,0,0,0,0|1,0,0]=3 2855 B13R0.436 CC[C@H](C)CN(CC)CCC(=O)OC 269982a_100000229097_100009816398 [0,2,0,0,0,0|1,0,0]=3 2856 B13R0.845 CCC(C)CC(CC)N(C)CC(=O)N 270004a_100000739694_100000184709 [0,2,0,0,0,0|2,0,0]=4 2857 B13R0.907 CCC(C)CC(C)(CC)OCC(=O)N 7a_200011290774_100000187820 [0,2,0,0,0,0|2,0,0]=4 2858 B13R0.1230 CCC(CC)CN(CC)CCC(=O)N 2230a_100020645749_100011215472 [0,2,0,0,0,0|2,0,0]=4 2859 B13R0.1230 CCC(CC)CN(CC)CCC(=O)N 270004a_100020645749_100000211137 [0,2,0,0,0,0|2,0,0]=4 2860 B13R0.1361 CCC(CCC(C)C)OC(C)C(=O)C 7a_100011216567_100000179758 [0,2,0,0,0,0|2,0,0]=4 2861 B13R0.1361 CCC(CCC(C)C)OC(C)C(=O)N 34a_100011216567_100000702099 [0,2,0,0,0,0|2,0,0]=4 2862 B13R0.1361 CCC(CCC(C)C)OC(C)C(=O)N 7a_100011216567_100000702099 [0,2,0,0,0,0|2,0,0]=4 2863 B13R0.1361 CCC(CCC(C)C)OC(F)C(=O)N 34a_100011216567_100009813875 [0,2,0,0,0,0|2,0,0]=4 2864 B13R0.1361 CCC(CCC(C)C)OC(F)C(=O)N 7a_100011216567_100009813875 [0,2,0,0,0,0|2,0,0]=4 2865 B13R0.1361 CCC(CCC(C)C)OC(F)C(=O)[O-] 34a_100011216567_100020610796 [0,2,0,0,0,0|1,0,1]=4 2866 B13R0.299 CCCCC(CC)N(CC)CC(=O)O 269956a_100000746405_200011216223 [0,2,0,0,0,0|1,0,0]=3 2867 B13R0.299 CCCCC(CC)N(CO)CC(=O)[O-] 269956a_100016989150_200011216223 [0,2,0,0,0,0|1,0,1]=4 2868 B13R0.302 CCCCC(CC)C(=O)C(C)C(=O)C 1458a_100000211130_100000179758 [0,2,0,0,0,0|1,0,1]=4 2869 B13R0.302 CCCCC(CC)C(=O)C(C)C(=O)N 1458a_100000211130_100000702099 [0,2,0,0,0,0|1,0,1]=4 2870 B13R0.302 CCCCC(CC)C(=O)C(F)C(=O)N 1458a_100000211130_100009813875 [0,2,0,0,0,0|1,0,1]=4 2871 B13R0.302 CCCCC(CC)C(=O)C(F)C(=O)[O-] 1458a_100000211130_100020610796 [0,2,0,0,0,0|0,0,2]=4 2872 B13R0.302 CCCCC(CC)N(C)C(C)C(=O)O 269956a_100000749554_200011216223 [0,2,0,0,0,0|1,0,0]=3 2873 B13R0.376 CCCCC(CC)C(=O)CC(=O)CC 1458a_100000211130_100000747405 [0,2,0,0,0,0|1,0,1]=4 2874 B13R0.376 CCCCC(CC)C(=O)CC(=O)NC 1458a_100000211130_100000183359 [0,2,0,0,0,0|1,0,1]=4 2875 B13R0.376 CCCCC(CC)C(=O)CC(=O)OC 1458a_100000211130_100000747449 [0,2,0,0,0,0|0,0,1]=3 2876 B13R0.376 CCCCC(CC)C(=O)CC(=O)OC 1458a_100000211351_200011216223 [0,2,0,0,0,0|0,0,1]=3 2877 B13R0.376 CCCCC(CC)N(C)CC(=O)NC 270004a_100000189611_100000753412 [0,2,0,0,0,0|2,0,0]=4 2878 B13R0.376 CCCCC(CC)N(C)CC(=O)OC 270004a_100000198492_100000753412 [0,2,0,0,0,0|1,0,0]=3 2879 B13R0.376 CCCCN(CC)C(=O)CC(=O)CO 1458a_100000210174_100000230192 [0,2,0,0,0,0|1,0,1]=4 2880 B13R0.376 CCCCN(CC)C(=O)CC(=O)OC 240690a_100000207695_100000211351 [0,2,0,0,0,0|1,0,1]=4 2881 B13R0.376 CCCCN(CC)C(C)CC(=O)OC 2230a_100000207695_100009817358 [0,2,0,0,0,0|1,0,0]=3 2882 B13R0.376 CCCCN(CC)C(C)CC(=O)OC 269982a_100000207695_100009817358 [0,2,0,0,0,0|1,0,0]=3 2883 B13R0.376 CCN(CCOC)C(C)CC(=O)OC 2230a_100000731262_100009817358 [0,2,0,0,0,0|2,0,0]=4 2884 B13R0.376 CCN(CCOC)C(C)CC(=O)OC 269982a_100000731262_100009817358 [0,2,0,0,0,0|2,0,0]=4 2885 B13R0.305 C#CCC(=O)CCC(CC)CCCC 1458a_100011216959_100000184674 [0,2,0,0,0,0|1,0,0]=3 2886 B13R0.305 C#CCC(=O)NCC(CC)CCCC 1626a_100000209976_100011220946 [0,2,0,0,0,0|2,0,0]=4 2887 B13R0.305 C#CCC(=O)NCC(CC)CCCC 527a_100000209976_100011220946 [0,2,0,0,0,0|2,0,0]=4 2888 B13R0.305 C=CCC(=O)CCC(CC)CCCC 1458a_100011216959_100000210623 [0,2,0,0,0,0|1,0,0]=3 2889 B13R0.305 C=CCC(=O)NCC(CC)CCCC 11a_100000209976_100000210193 [0,2,0,0,0,0|2,0,0]=4 2890 B13R0.305 C=CCC(=O)NCC(CC)CCCC 1626a_100000209976_100000210193 [0,2,0,0,0,0|2,0,0]=4 2891 B13R0.305 C=CCC(=O)NCC(CC)CCCC 240690a_100000209976_100000210193 [0,2,0,0,0,0|2,0,0]=4 2892 B13R0.305 C=CCC(=O)NCC(CC)CCCC 527a_100000209976_100000210193 [0,2,0,0,0,0|2,0,0]=4 2893 B13R0.305 C=COC(=O)CN[C@H](CO)CCCC 2230a_100011934283_100000036128 [0,2,0,0,0,0|2,0,0]=4 2894 B13R0.305 C=COC(=O)CN[C@H](CO)CCCC 34a_100011934283_100000036128 [0,2,0,0,0,0|2,0,0]=4 2895 B13R0.305 C=COC(=O)COC(CC)CCCC 34a_100011215227_100000036128 [0,2,0,0,0,0|1,0,0]=3 2896 B13R0.305 C=COC(=O)CSC(CC)CCCC 62a_100000036128_200011216223 [0,2,0,0,0,0|1,0,0]=3 2897 B13R0.305 C=COC(=O)CSC(CC)CCCC 62a_200011216223_100000036128 [0,2,0,0,0,0|1,0,0]=3 2898 B13R0.305 CC=CC(=O)NCC(CC)CCCC 11a_100000209976_100000210699 [0,2,0,0,0,0|2,0,0]=4 2899 B13R0.305 CC=CC(=O)NCC(CC)CCCC 1626a_100000209976_100000210699 [0,2,0,0,0,0|2,0,0]=4 2900 B13R0.305 CC=CC(=O)NCC(CC)CCCC 240690a_100000209976_100000210699 [0,2,0,0,0,0|2,0,0]=4 2901 B13R0.305 CCCCC(CC)CCC(=O)CC#N 1458a_100011216959_100011214920 [0,2,0,0,0,0|1,0,0]=3 2902 B13R0.305 CCCCC(CC)CCC(=O)CCC 1458a_100011216959_100000210303 [0,2,0,0,0,0|1,0,0]=3 2903 B13R0.305 CCCCC(CC)CCC(=O)CCF 1458a_100011216959_100011217306 [0,2,0,0,0,0|1,0,0]=3 2904 B13R0.305 CCCCC(CC)CCC(=O)CCO 1458a_100011216959_100000211926 [0,2,0,0,0,0|0,0,0]=2 2905 B13R0.305 CCCCC(CC)CCC(=O)NCC 11a_100015525214_100011216959 [0,2,0,0,0,0|1,0,0]=3 2906 B13R0.305 CCCCC(CC)CCC(=O)NCC 240690a_100015525214_100011216959 [0,2,0,0,0,0|1,0,0]=3 2907 B13R0.305 CCCCC(CC)CCC(=O)NCC 527a_100015525214_100011216959 [0,2,0,0,0,0|1,0,0]=3 2908 B13R0.305 CCCCC(CC)CCC(=O)NNC 22a_100016993582_100011216959 [0,2,0,0,0,0|1,0,0]=3 2909 B13R0.305 CCCCC(CC)CNC(=O)C=CBr 1626a_100000209976_100016273825 [0,2,0,0,0,0|2,0,0]=4 2910 B13R0.305 CCCCC(CC)CNC(=O)C=CBr 240690a_100000209976_100016273825 [0,2,0,0,0,0|2,0,0]=4 2911 B13R0.305 CCCCC(CC)CNC(=O)C=CCl 11a_100000209976_200016279998 [0,2,0,0,0,0|2,0,0]=4 2912 B13R0.305 CCCCC(CC)CNC(=O)C=CCl 1626a_100000209976_200016279998 [0,2,0,0,0,0|2,0,0]=4 2913 B13R0.305 CCCCC(CC)CNC(=O)C=CCl 240690a_100000209976_200016279998 [0,2,0,0,0,0|2,0,0]=4 2914 B13R0.305 CCCCC(CC)CNC(=O)C=CI 1626a_100000209976_100016256311 [0,2,0,0,0,0|2,0,0]=4 2915 B13R0.305 CCCCC(CC)CNC(=O)CC#N 1626a_100000209976_100051588842 [0,2,0,0,0,0|2,0,0]=4 2916 B13R0.305 CCCCC(CC)CNC(=O)CC#N 240690a_100000209976_100051588842 [0,2,0,0,0,0|2,0,0]=4 2917 B13R0.305 CCCCC(CC)CNC(=O)CCC 11a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 2918 B13R0.305 CCCCC(CC)CNC(=O)CCC 1626a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 2919 B13R0.305 CCCCC(CC)CNC(=O)CCC 240690a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 2920 B13R0.305 CCCCC(CC)CNC(=O)CCC 527a_100000209976_100000211992 [0,2,0,0,0,0|2,0,0]=4 2921 B13R0.305 CCCCC(CC)CNC(=O)CCO 240690a_100000209976_100011216618 [0,2,0,0,0,0|1,0,0]=3 2922 B13R0.305 CCCCC(CC)CNC(=O)COC 11a_100000209976_100000210968 [0,2,0,0,0,0|1,0,0]=3 2923 B13R0.305 CCCCC(CC)CNC(=O)COC 1626a_100000209976_100000210968 [0,2,0,0,0,0|1,0,0]=3 2924 B13R0.305 CCCCC(CC)CNC(=O)COC 240690a_100000209976_100000210968 [0,2,0,0,0,0|1,0,0]=3 2925 B13R0.305 CCCCC(CC)CNC(=O)COC 527a_100000209976_100000210968 [0,2,0,0,0,0|1,0,0]=3 2926 B13R0.305 CCCCC(CC)CNC(=O)CSC 11a_100000209976_100000184570 [0,2,0,0,0,0|1,1,0]=4 2927 B13R0.305 CCCCC(CC)CNC(=O)CSC 1626a_100000209976_100000184570 [0,2,0,0,0,0|1,1,0]=4 2928 B13R0.305 CCCCC(CC)CNC(=O)CSC 240690a_100000209976_100000184570 [0,2,0,0,0,0|1,1,0]=4 2929 B13R0.305 CCCCC(CC)CNC(=O)CSC 527a_100000209976_100000184570 [0,2,0,0,0,0|1,1,0]=4 2930 B13R0.305 CCCCC(CC)CNC(=O)NCC 2708a_100000209976_100015525214 [0,2,0,0,0,0|2,0,0]=4 2931 B13R0.305 CCCCC(CC)CNC(=O)NCC 2708a_100015525214_100000209976 [0,2,0,0,0,0|2,0,0]=4 2932 B13R0.305 CCCCC(CC)CNC(=O)NCC 273464a_100000209976_100015525214 [0,2,0,0,0,0|2,0,0]=4 2933 B13R0.305 CCCCC(CC)CNC(=O)NCC 273464a_100015525214_100000209976 [0,2,0,0,0,0|2,0,0]=4 2934 B13R0.305 CCCCC(CC)CNC(=O)NCC 512a_100000209976_100015525214 [0,2,0,0,0,0|2,0,0]=4 2935 B13R0.305 CCCCC(CC)CNC(=O)NCC 512a_100015525214_100000209976 [0,2,0,0,0,0|2,0,0]=4 2936 B13R0.305 CCCCC(CC)CNC(=O)NNC 273464a_100000209976_100016993582 [0,2,0,0,0,0|2,0,0]=4 2937 B13R0.305 CCCCC(CC)CNC(=O)NNC 512a_100000209976_100016993582 [0,2,0,0,0,0|2,0,0]=4 2938 B13R0.305 CCCCC(CC)CNC(=O)NNC 512a_100016993582_100000209976 [0,2,0,0,0,0|2,0,0]=4 2939 B13R0.305 CCCCC(CC)NCC(=O)NCC 270004a_100016988866_100000753412 [0,2,0,0,0,0|2,0,0]=4 2940 B13R0.305 CCCCC(CC)OCC(=O)CCC 7a_100011215227_100000747444 [0,2,0,0,0,0|2,0,0]=4 2941 B13R0.305 CCCCC(CC)OCC(=O)NCC 34a_100011215227_100000183381 [0,2,0,0,0,0|2,0,0]=4 2942 B13R0.305 CCCCC(CC)OCC(=O)NCC 7a_100011215227_100000183381 [0,2,0,0,0,0|2,0,0]=4 2943 B13R0.305 CCCCC(CC)OCC(=O)NCO 34a_100011215227_100000185155 [0,2,0,0,0,0|1,0,0]=3 2944 B13R0.305 CCCCC(CC)OCC(=O)NCO 7a_100011215227_100000185155 [0,2,0,0,0,0|1,0,0]=3 2945 B13R0.305 CCCCC(CC)OCC(=O)OCC 34a_100011215227_100000188475 [0,2,0,0,0,0|1,0,0]=3 2946 B13R0.305 CCCCC(CC)OCC(=O)OCC 7a_100011215227_100000188475 [0,2,0,0,0,0|1,0,0]=3 2947 B13R0.305 CCCCC(CC)SCC(=O)CCC 62a_100000747444_200011216223 [0,2,0,0,0,0|2,0,0]=4 2948 B13R0.305 CCCCC(CC)SCC(=O)CCC 62a_200011216223_100000747444 [0,2,0,0,0,0|2,0,0]=4 2949 B13R0.305 CCCCC(CC)SCC(=O)NCC 62a_100000183381_200011216223 [0,2,0,0,0,0|2,0,0]=4 2950 B13R0.305 CCCCC(CC)SCC(=O)NCC 62a_200011216223_100000183381 [0,2,0,0,0,0|2,0,0]=4 2951 B13R0.305 CCCCC(CC)SCC(=O)NCO 62a_100000185155_200011216223 [0,2,0,0,0,0|1,0,0]=3 2952 B13R0.305 CCCCC(CC)SCC(=O)NCO 62a_200011216223_100000185155 [0,2,0,0,0,0|1,0,0]=3 2953 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_100000188475_200011216223 [0,2,0,0,0,0|1,0,0]=3 2954 B13R0.305 CCCCC(CC)SCC(=O)OCC 62a_200011216223_100000188475 [0,2,0,0,0,0|1,0,0]=3 2955 B13R0.305 CCCCN(CC)CCC(=O)NCC 2230a_100000207695_100000737597 [0,2,0,0,0,0|2,0,0]=4 2956 B13R0.305 CCCCN(CC)CCC(=O)NCC 269982a_100000207695_100000737597 [0,2,0,0,0,0|2,0,0]=4 2957 B13R0.305 CCCCN(CC)CCC(=O)OCC 2230a_100000207695_100011206558 [0,2,0,0,0,0|1,0,0]=3 2958 B13R0.305 CCCCN(CC)CCC(=O)OCC 2230a_200011277716_100000210211 [0,2,0,0,0,0|1,0,0]=3 2959 B13R0.305 CCCCN(CC)CCC(=O)OCC 269982a_100000207695_100011206558 [0,2,0,0,0,0|1,0,0]=3 2960 B13R0.305 CCCCN(CC)CCC(=O)OCC 269982a_200011277716_100000210211 [0,2,0,0,0,0|1,0,0]=3 2961 B13R0.305 CCCC[C@@H](CO)NCC(=O)NCO 2230a_100011934283_100000185155 [0,2,0,0,0,0|2,0,0]=4 2962 B13R0.305 CCCC[C@@H](CO)NCC(=O)NCO 34a_100011934283_100000185155 [0,2,0,0,0,0|2,0,0]=4 2963 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 2230a_100011934283_100000188475 [0,2,0,0,0,0|2,0,0]=4 2964 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC 34a_100011934283_100000188475 [0,2,0,0,0,0|2,0,0]=4 2965 B13R0.305 CCOC(=O)CCN(CC)CCCF 2230a_200011277716_100011934791 [0,2,0,0,0,0|2,0,0]=4 2966 B13R0.305 CCOC(=O)CCN(CC)CCCF 269982a_200011277716_100011934791 [0,2,0,0,0,0|2,0,0]=4 2967 B13R0.305 CCOC(=O)CCN(CC)CCCO 2230a_200011277716_100000230001 [0,2,0,0,0,0|2,0,0]=4 2968 B13R0.305 CCOC(=O)CCN(CC)CCCO 269982a_200011277716_100011215043 [0,2,0,0,0,0|2,0,0]=4 2969 B13R0.305 CCOC(=O)CCN(CC)CCOC 2230a_100000731262_100011206558 [0,2,0,0,0,0|2,0,0]=4 2970 B13R0.305 CCOC(=O)CCN(CC)CCOC 2230a_200011277716_100011201679 [0,2,0,0,0,0|2,0,0]=4 2971 B13R0.305 CCOC(=O)CCN(CC)CCOC 269982a_100000731262_100011206558 [0,2,0,0,0,0|2,0,0]=4 2972 B13R0.305 CCOC(=O)CCN(CC)CCOC 269982a_200011277716_100000233755 [0,2,0,0,0,0|2,0,0]=4 2973 B13R0.305 CCOC(=O)CCN(CC)CCSC 2230a_200011277716_100000751147 [0,2,0,0,0,0|2,0,0]=4 2974 B13R0.305 CCOC(=O)CCN(CC)CCSC 269982a_200011277716_100000212216 [0,2,0,0,0,0|2,0,0]=4 2975 B13R0.305 CCOCN(CC)CCC(=O)OCC 269982a_200011277716_100000739092 [0,2,0,0,0,0|2,0,0]=4 2976 B13R0.1197 CCCCC(CC)CC(=O)C(=O)NC 1458a_100011218921_100000211942 [0,2,0,0,0,0|1,0,1]=4 2977 B13R0.1197 CCCCC(CC)N[C@H](C)C(=O)NC 34a_100000684985_200011216223 [0,2,0,0,0,0|2,0,0]=4 2978 B13R0.1197 CCCCC(CC)OC(C)C(=O)CC 7a_100011215227_100000742827 [0,2,0,0,0,0|2,0,0]=4 2979 B13R0.1197 CCCCC(CC)OC(C)C(=O)NC 34a_100011215227_100000731044 [0,2,0,0,0,0|2,0,0]=4 2980 B13R0.1197 CCCCC(CC)OC(C)C(=O)NC 7a_100011215227_100000209862 [0,2,0,0,0,0|2,0,0]=4 2981 B13R0.1197 CCCCC(CC)OC(C)C(=O)NN 34a_100000725659_200011216223 [0,2,0,0,0,0|2,0,0]=4 2982 B13R0.1197 CCCCC(CC)OC(C)C(=O)OC 34a_100011215227_100000211248 [0,2,0,0,0,0|1,0,0]=3 2983 B13R0.1197 CCCCC(CC)OC(C)C(=O)OC 34a_100011215400_200011216223 [0,2,0,0,0,0|1,0,0]=3 2984 B13R0.1197 CCCCC(CC)OC(C)C(=O)OC 7a_100011215227_100000211248 [0,2,0,0,0,0|1,0,0]=3 2985 B13R0.1197 CCCCC(CC)OC(F)C(=O)NC 34a_100011215227_100009813575 [0,2,0,0,0,0|2,0,0]=4 2986 B13R0.1197 CCCCC(CC)OC(F)C(=O)NC 7a_100011215227_100009813575 [0,2,0,0,0,0|2,0,0]=4 2987 B13R0.1197 CCCCC(CC)SC(C)C(=O)CC 62a_100000742827_200011216223 [0,2,0,0,0,0|2,0,0]=4 2988 B13R0.1197 CCCCC(CC)SC(C)C(=O)CC 62a_200011216223_100000742827 [0,2,0,0,0,0|2,0,0]=4 2989 B13R0.1197 CCCCC(CC)SC(C)C(=O)NC 62a_100000209862_200011216223 [0,2,0,0,0,0|2,0,0]=4 2990 B13R0.1197 CCCCC(CC)SC(C)C(=O)NC 62a_200011216223_100000731044 [0,2,0,0,0,0|2,0,0]=4 2991 B13R0.1197 CCCCC(CC)SC(C)C(=O)OC 62a_100000211248_200011216223 [0,2,0,0,0,0|1,0,0]=3 2992 B13R0.1197 CCCCC(CC)SC(C)C(=O)OC 62a_200011216223_100000211248 [0,2,0,0,0,0|1,0,0]=3 2993 B13R0.1197 CCCCC(CC)SC(F)C(=O)NC 62a_100009813575_200011216223 [0,2,0,0,0,0|2,0,0]=4 2994 B13R0.1197 CCCCC(CC)SC(F)C(=O)NC 62a_200011216223_100009813575 [0,2,0,0,0,0|2,0,0]=4 2995 B13R0.1197 CCCCN(CC)CC(C)C(=O)OC 269982a_100000207695_100000698445 [0,2,0,0,0,0|1,0,0]=3 2996 B13R0.1197 CCCC[C@@H](CO)NC(C)C(=O)OC 2230a_100011934283_100000211248 [0,2,0,0,0,0|2,0,0]=4 2997 B13R0.1197 CCCC[C@@H](CO)NC(C)C(=O)OC 34a_100011934283_100000211248 [0,2,0,0,0,0|2,0,0]=4 2998 B13R0.1197 CCN(CCOC)CC(C)C(=O)OC 269982a_100000731262_100000698445 [0,2,0,0,0,0|2,0,0]=4 2999 B13R0.1659 CCC(O)(CCCO)CNC(=O)CO 240690a_100015186943_100000210174 [0,2,0,0,0,0|2,0,0]=4 3000 B13R0.1659 CCC(O)(CCCO)CNC(=O)CO 527a_100015186943_100000210174 [0,2,0,0,0,0|2,0,0]=4 3001 B13R0.1659 CCCCC(C)(CC)OCC(=O)CC 7a_200011218725_100000747405 [0,2,0,0,0,0|2,0,0]=4 3002 B13R0.1659 CCCCC(C)(CC)OCC(=O)NC 7a_200011218725_100000183359 [0,2,0,0,0,0|2,0,0]=4 3003 B13R0.1659 CCCCC(C)(CC)OCC(=O)OC 7a_200011218725_100000747449 [0,2,0,0,0,0|1,0,0]=3 3004 B13R0.298 C=C[C@H](NC(CC)CCCC)C(=O)O 269956a_100016992060_200011216223 [0,2,0,0,0,0|1,0,0]=3 3005 B13R0.298 CCCCC(CC)NC(C#N)C(=O)N 270004a_100000039599_100000753412 [0,2,0,0,0,0|2,0,0]=4 3006 B13R0.298 CCCCC(CC)NC(CC)C(=O)N 34a_100000733705_200011216223 [0,2,0,0,0,0|2,0,0]=4 3007 B13R0.298 CCCCC(CC)NC(CO)C(=O)O 269956a_100000187304_200011216223 [0,2,0,0,0,0|1,0,0]=3 3008 B13R0.298 CCCCC(CC)N[C@@H](CO)C(=O)N 270004a_100000729942_100000753412 [0,2,0,0,0,0|2,0,0]=4 3009 B13R0.298 CCCCC(CC)N[C@@H](CO)C(=O)N 34a_100000729942_200011216223 [0,2,0,0,0,0|2,0,0]=4 3010 B13R0.298 CCCCC(CC)N[C@H](CC)C(=O)O 269956a_100000747097_200011216223 [0,2,0,0,0,0|1,0,0]=3 3011 B13R0.298 CCCCC(CC)OC(CC)C(=O)N 34a_100011215227_100000750255 [0,2,0,0,0,0|2,0,0]=4 3012 B13R0.298 CCCCC(CC)OC(CC)C(=O)N 7a_100011215227_100000750255 [0,2,0,0,0,0|2,0,0]=4 3013 B13R0.298 CCCCC(CC)SC(CC)C(=O)N 62a_100000750255_200011216223 [0,2,0,0,0,0|2,0,0]=4 3014 B13R0.298 CCCCC(CC)SC(CC)C(=O)N 62a_200011216223_100000750255 [0,2,0,0,0,0|2,0,0]=4 3015 B13R0.499 CCCCC(C)(CC)OC(C)C(=O)C 7a_200011218725_100000179758 [0,2,0,0,0,0|2,0,0]=4 3016 B13R0.499 CCCCC(C)(CC)OC(C)C(=O)N 7a_200011218725_100000702099 [0,2,0,0,0,0|2,0,0]=4 3017 B13R0.499 CCCCC(C)(CC)OC(F)C(=O)N 7a_200011218725_100009813875 [0,2,0,0,0,0|2,0,0]=4 3018 B13R0.659 CCCCC(CC)NC(C)(C)C(=O)N 34a_100000743658_200011216223 [0,2,0,0,0,0|2,0,0]=4 3019 B13R0.659 CCCCC(CC)OC(C)(C)C(=O)C 34a_100000747739_200011216223 [0,2,0,0,0,0|2,0,0]=4 3020 B13R0.659 CCCCC(CC)OC(C)(C)C(=O)C 7a_100000747739_200011216223 [0,2,0,0,0,0|2,0,0]=4 3021 B13R0.659 CCCCC(CC)OC(C)(C)C(=O)C 7a_100011215227_100000075568 [0,2,0,0,0,0|2,0,0]=4 3022 B13R0.659 CCCCC(CC)OC(C)(C)C(=O)N 34a_100011215227_100000702505 [0,2,0,0,0,0|2,0,0]=4 3023 B13R0.659 CCCCC(CC)OC(C)(C)C(=O)N 34a_100011626353_200011216223 [0,2,0,0,0,0|2,0,0]=4 3024 B13R0.659 CCCCC(CC)OC(C)(C)C(=O)N 7a_100011215227_100000702505 [0,2,0,0,0,0|2,0,0]=4 3025 B13R0.659 CCCCC(CC)OC(C)(C)C(=O)N 7a_100011626353_200011216223 [0,2,0,0,0,0|2,0,0]=4 3026 B13R0.659 CCCCC(CC)OC(F)(F)C(=O)N 7a_100011215227_100009811971 [0,2,0,0,0,0|2,0,0]=4 3027 B13R0.659 CCCCC(CC)OC(F)(F)C(=O)[O-] 34a_100011215227_100020612412 [0,2,0,0,0,0|1,0,1]=4 3028 B13R0.659 CCCCC(CC)SC(C)(C)C(=O)C 62a_100000075568_200011216223 [0,2,0,0,0,0|2,0,0]=4 3029 B13R0.659 CCCCC(CC)SC(C)(C)C(=O)C 62a_200011216223_100000075568 [0,2,0,0,0,0|2,0,0]=4 3030 B13R0.659 CCCCC(CC)SC(C)(C)C(=O)N 62a_100000702505_200011216223 [0,2,0,0,0,0|2,0,0]=4 3031 B13R0.659 CCCCC(CC)SC(C)(C)C(=O)N 62a_200011216223_100000702505 [0,2,0,0,0,0|2,0,0]=4 3032 B13R0.659 CCCCC(CC)SC(F)(F)C(=O)N 62a_100009811971_200011216223 [0,2,0,0,0,0|2,0,0]=4 3033 B13R0.659 CCCCC(CC)SC(F)(F)C(=O)N 62a_200011216223_100009811971 [0,2,0,0,0,0|2,0,0]=4 3034 B13R0.659 CCCCC(CC)SC(F)(F)C(=O)[O-] 62a_100000745680_200011216223 [0,2,0,0,0,0|1,0,1]=4 3035 B13R0.659 CCCCC(CC)SC(F)(F)C(=O)[O-] 62a_200011216223_100000745680 [0,2,0,0,0,0|1,0,1]=4 3036 B13R0.659 CCCCN(CC)CC(C)(C)C(=O)N 269982a_100000207695_200009895572 [0,2,0,0,0,0|2,0,0]=4 3037 B13R0.1359 CCN(CCC(=O)N)CCC(C)(C)C 2230a_100020645749_100000755188 [0,2,0,0,0,0|2,0,0]=4 3038 B13R0.1359 CCN(CCC(=O)N)CCC(C)(C)O 2230a_100020645749_100000702414 [0,2,0,0,0,0|2,0,0]=4 3039 B11R1.1 C=C1CCC(CC1)COCC 34a_100000074039_100000210202 [1,0,0,1,0,0|2,0,0]=4 3040 B11R1.1 C=C1CCC(CC1)NCCC 270004a_100020643023_100010272673 [1,0,0,1,0,0|2,0,0]=4 3041 B11R1.1 C=C1CCN(CC1)CCCC 2230a_100000752442_100000210211 [1,0,0,1,0,0|2,0,0]=4 3042 B11R1.1 C=C1CCN(CC1)CCCC 269982a_100000752442_100000210211 [1,0,0,1,0,0|2,0,0]=4 3043 B11R1.1 C=C1CCN(CC1)CCCC 34a_100000752442_100000210210 [1,0,0,1,0,0|2,0,0]=4 3044 B11R1.1 C=CCCN1CCC(CC1)C 2230a_100000188429_100000754431 [1,0,0,1,0,0|2,0,0]=4 3045 B11R1.1 C=CCCN1CCC(CC1)C 269982a_100000188429_100000754431 [1,0,0,1,0,0|2,0,0]=4 3046 B11R1.1 C=CCCN1CCC(CC1)C 34a_100000188429_100000754431 [1,0,0,1,0,0|2,0,0]=4 3047 B11R1.1 C=CCNC1CCC(CC1)C 270004a_100020586998_100000185489 [1,0,0,1,0,0|2,0,0]=4 3048 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210623 [1,0,0,1,0,0|2,0,0]=4 3049 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100015514636 [1,0,0,1,0,0|2,0,0]=4 3050 B11R1.1 C=CCOC1CCC(CC1)C 34a_100000210714_100015514636 [1,0,0,1,0,0|2,0,0]=4 3051 B11R1.1 C=CCOC1CCC(CC1)C 34a_200000210373_200011216234 [1,0,0,1,0,0|2,0,0]=4 3052 B11R1.1 C=CCOC1CCC(CC1)C 7a_100000210714_100015514636 [1,0,0,1,0,0|2,0,0]=4 3053 B11R1.1 C=CCSC1CCC(CC1)C 62a_100000210623_200011216234 [1,0,0,1,0,0|2,0,0]=4 3054 B11R1.1 CC1CCC(CC1)NCCO 270004a_100000210304_100000185489 [1,0,0,1,0,0|1,0,1]=4 3055 B11R1.1 CC1CCC(CC1)NCCO 34a_100016990907_200011216234 [1,0,0,1,0,0|1,0,1]=4 3056 B11R1.1 CC1CCC(CC1)OCC=O 34a_100000210714_200009817547 [1,0,0,1,0,0|1,0,0]=3 3057 B11R1.1 CC1CCC(CC1)OCC=O 7a_100000210714_200015260668 [1,0,0,1,0,0|1,0,0]=3 3058 B11R1.1 CC1CCC(CC1)OCCO 34a_100000210714_100000211926 [1,0,0,1,0,0|1,0,1]=4 3059 B11R1.1 CC1CCC(CC1)OCCO 7a_100000210714_100000211926 [1,0,0,1,0,0|1,0,1]=4 3060 B11R1.1 CC1CCC(CC1)SCC=O 62a_200015260668_200011216234 [1,0,0,1,0,0|1,0,0]=3 3061 B11R1.1 CC1CCC(CC1)SCCO 62a_100000211926_200011216234 [1,0,0,1,0,0|1,0,1]=4 3062 B11R1.1 CC1CCN(CC1)CCCO 2230a_100000188429_100000230001 [1,0,0,1,0,0|1,0,1]=4 3063 B11R1.1 CC1CCN(CC1)CCCO 269982a_100000188429_100011215043 [1,0,0,1,0,0|1,0,1]=4 3064 B11R1.1 CC1CCN(CC1)CCCO 34a_100000188429_100000230001 [1,0,0,1,0,0|1,0,1]=4 3065 B11R1.1 CCCCC1CCN(CC1)C 2230a_200016987432_200000210301 [1,0,0,1,0,0|2,0,0]=4 3066 B11R1.1 CCCCC1CCN(CC1)C 269982a_200016987432_200000210301 [1,0,0,1,0,0|2,0,0]=4 3067 B11R1.1 CCCCC1CCN(CC1)C 34a_200016987432_200000210301 [1,0,0,1,0,0|2,0,0]=4 3068 B11R1.1 CCCCC1CCN(CC1)[13CH3] 2230a_200016987432_200025704644 [1,0,0,1,0,0|2,0,0]=4 3069 B11R1.1 CCCCC1CCN(CC1)[13CH3] 269982a_200016987432_200025704644 [1,0,0,1,0,0|2,0,0]=4 3070 B11R1.1 CCCCC1CCN(CC1)[13CH3] 34a_200016987432_200025704644 [1,0,0,1,0,0|2,0,0]=4 3071 B11R1.1 CCCCN1CCC(CC1)O 2230a_100025773856_100000210211 [1,0,0,1,0,0|1,0,1]=4 3072 B11R1.1 CCCCN1CCC(CC1)O 269982a_100025773856_100000210211 [1,0,0,1,0,0|1,0,1]=4 3073 B11R1.1 CCCCN1CCS(=O)CC1 2230a_100000752083_100000210211 [1,0,0,1,0,0|2,0,0]=4 3074 B11R1.1 CCCCN1CCS(=O)CC1 269982a_100000752083_100000210211 [1,0,0,1,0,0|2,0,0]=4 3075 B11R1.1 CCCNC1CCC(=O)NC1 2230a_100000748762_100000210303 [1,0,0,1,0,0|2,0,0]=4 3076 B11R1.1 CCCNC1CCC(=O)NC1 34a_100000748762_100000210303 [1,0,0,1,0,0|2,0,0]=4 3077 B11R1.1 CCCNC1CCC(CC1)O 270004a_100020643023_100000764474 [1,0,0,1,0,0|1,0,1]=4 3078 B11R1.1 CCCOC1CCC(=O)CC1 34a_100000764474_100000210303 [1,0,0,1,0,0|1,0,0]=3 3079 B11R1.1 CCCOC1CCC(=O)CC1 7a_100000764474_100000210303 [1,0,0,1,0,0|1,0,0]=3 3080 B11R1.1 CCCOC1CCC(=O)NC1 34a_100000079199_100000210303 [1,0,0,1,0,0|2,0,0]=4 3081 B11R1.1 CCOCC1CCC(=O)CC1 34a_100000062911_100000210202 [1,0,0,1,0,0|1,0,0]=3 3082 B11R1.1 CN1CCC(CC1)CCCO 2230a_100016988962_200000210301 [1,0,0,1,0,0|1,0,1]=4 3083 B11R1.1 CN1CCC(CC1)CCCO 269982a_100016988962_200000210301 [1,0,0,1,0,0|1,0,1]=4 3084 B11R1.1 CN1CCC(CC1)CCCO 34a_100016988962_200000210301 [1,0,0,1,0,0|1,0,1]=4 3085 B11R1.1 CN1CCC(CC1)SCC=O 62a_200015260668_100011215917 [1,0,0,1,0,0|2,0,0]=4 3086 B11R1.1 CNCCC1CCC(CC1)O 34a_200011935226_200000210301 [1,0,0,1,0,0|1,0,1]=4 3087 B11R1.1 CSCOC1CCC(=O)CC1 34a_100000764474_100011218213 [1,0,0,1,0,0|2,0,0]=4 3088 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 2230a_100020625639_200015260668 [1,0,0,1,0,0|1,0,0]=3 3089 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 34a_100020625639_200009817547 [1,0,0,1,0,0|1,0,0]=3 3090 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 2230a_100020625639_100000211926 [1,0,0,1,0,0|1,0,1]=4 3091 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO 34a_100020625639_100000211926 [1,0,0,1,0,0|1,0,1]=4 3092 B11R1.1 N[C@H]1CC[C@H](CC1)OCC=O 34a_100020628982_200009817547 [1,0,0,1,0,0|2,0,0]=4 3093 B11R1.1 O=C1CCC(CC1)COCF 34a_100000062911_100015361967 [1,0,0,1,0,0|2,0,0]=4 3094 B11R1.1 O=C1CCC(CC1)OCCF 34a_100000764474_100011217306 [1,0,0,1,0,0|2,0,0]=4 3095 B11R1.1 O=C1CCC(CC1)OCCF 7a_100000764474_100011217306 [1,0,0,1,0,0|2,0,0]=4 3096 B11R1.1 O=C1CCC(CC1)OCCO 34a_100000764474_100000211926 [1,0,0,1,0,0|2,0,0]=4 3097 B11R1.1 O=C1CCC(CC1)OCCO 7a_100000764474_100000211926 [1,0,0,1,0,0|2,0,0]=4 3098 B11R1.1 [13CH3]N1CCC(CC1)CCCO 2230a_100016988962_200025704644 [1,0,0,1,0,0|1,0,1]=4 3099 B11R1.1 [13CH3]N1CCC(CC1)CCCO 269982a_100016988962_200025704644 [1,0,0,1,0,0|1,0,1]=4 3100 B11R1.1 [13CH3]N1CCC(CC1)CCCO 34a_100016988962_200025704644 [1,0,0,1,0,0|1,0,1]=4 3101 B11R1.1 [13CH3]NCCC1CCC(CC1)O 34a_200011935226_200025704644 [1,0,0,1,0,0|1,0,1]=4 3102 B11R1.17 C=CCCN1CCCCC1C 2230a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 3103 B11R1.17 C=CCCN1CCCCC1C 269982a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 3104 B11R1.17 C=CCCN1CCCCC1C 34a_100000211376_100000754431 [1,0,0,1,0,0|2,0,0]=4 3105 B11R1.17 C=CCNC1CCCCC1C 2230a_100000211402_100000210623 [1,0,0,1,0,0|2,0,0]=4 3106 B11R1.17 C=CCNC1CCCCC1C 270004a_100020586998_100000210921 [1,0,0,1,0,0|2,0,0]=4 3107 B11R1.17 C=CCNC1CCCCC1C 34a_100000211402_100015514636 [1,0,0,1,0,0|2,0,0]=4 3108 B11R1.17 C=CCOC1CCCCC1C 34a_100000211207_100015514636 [1,0,0,1,0,0|2,0,0]=4 3109 B11R1.17 C=CCOC1CCCCC1C 7a_100000211207_100015514636 [1,0,0,1,0,0|2,0,0]=4 3110 B11R1.17 CC1CCCCC1NCC=O 2230a_100000211402_200015260668 [1,0,0,1,0,0|1,0,0]=3 3111 B11R1.17 CC1CCCCC1NCC=O 34a_100000211402_200009817547 [1,0,0,1,0,0|1,0,0]=3 3112 B11R1.17 CC1CCCCC1NCCO 2230a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 3113 B11R1.17 CC1CCCCC1NCCO 269862a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 3114 B11R1.17 CC1CCCCC1NCCO 270004a_100000210304_100000210921 [1,0,0,1,0,0|1,0,1]=4 3115 B11R1.17 CC1CCCCC1NCCO 34a_100000211402_100000211926 [1,0,0,1,0,0|1,0,1]=4 3116 B11R1.17 CC1CCCCC1OCC=O 34a_100000211207_200009817547 [1,0,0,1,0,0|1,0,0]=3 3117 B11R1.17 CC1CCCCC1OCC=O 7a_100000211207_200015260668 [1,0,0,1,0,0|1,0,0]=3 3118 B11R1.17 CC1CCCCC1OCCO 34a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 3119 B11R1.17 CC1CCCCC1OCCO 7a_100000211207_100000211926 [1,0,0,1,0,0|1,0,1]=4 3120 B11R1.17 CC1CCCCN1CCCO 2230a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 3121 B11R1.17 CC1CCCCN1CCCO 269982a_100000211376_100011215043 [1,0,0,1,0,0|1,0,1]=4 3122 B11R1.17 CC1CCCCN1CCCO 34a_100000211376_100000230001 [1,0,0,1,0,0|1,0,1]=4 3123 B11R1.17 CC1CCNCC1OCC=O 34a_100000696640_200009817547 [1,0,0,1,0,0|2,0,0]=4 3124 B11R1.17 CC1CNCCC1OCC=O 34a_100011998114_200009817547 [1,0,0,1,0,0|2,0,0]=4 3125 B11R1.17 CN1CCCCC1CCCO 2230a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 3126 B11R1.17 CN1CCCCC1CCCO 269982a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 3127 B11R1.17 CN1CCCCC1CCCO 34a_100011934581_200000210301 [1,0,0,1,0,0|1,0,1]=4 3128 B11R1.17 N[C@@H]1CCCC[C@@H]1OCC=O 34a_100015191688_200009817547 [1,0,0,1,0,0|2,0,0]=4 3129 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200015260668 [1,0,0,1,0,0|2,0,0]=4 3130 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_200009817547 [1,0,0,1,0,0|2,0,0]=4 3131 B11R1.17 O=CCOC1CCCCC1Cl 34a_100000038908_200009817547 [1,0,0,1,0,0|2,0,0]=4 3132 B11R1.17 O=CCOC1CCCCC1Cl 7a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 3133 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_200009817547 [1,0,0,1,0,0|2,0,0]=4 3134 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_200015260668 [1,0,0,1,0,0|2,0,0]=4 3135 B11R1.17 O=CCSC1CCCCC1F 62a_100015423560_200015260668 [1,0,0,1,0,0|2,0,0]=4 3136 B11R1.17 O=CCSC1CCCCC1F 62a_200015260668_100015423560 [1,0,0,1,0,0|2,0,0]=4 3137 B11R1.17 O=CCSC1CCCCC1O 62a_100000038908_200015260668 [1,0,0,1,0,0|2,0,0]=4 3138 B11R1.17 O=CCSC1CCCCC1O 62a_200015260668_100000038908 [1,0,0,1,0,0|2,0,0]=4 3139 B11R1.17 [13CH3]N1CCCCC1CCCO 2230a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 3140 B11R1.17 [13CH3]N1CCCCC1CCCO 269982a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 3141 B11R1.17 [13CH3]N1CCCCC1CCCO 34a_100011934581_200025704644 [1,0,0,1,0,0|1,0,1]=4 3142 B11R1.41 C=CCC1CCCCC1NC 269862a_106832991636_100011214939 [1,0,0,1,0,0|2,0,0]=4 3143 B11R1.41 C=CCC1CCCCC1NC 270004a_106832991635_100011214939 [1,0,0,1,0,0|2,0,0]=4 3144 B11R1.41 C=CCN1CCCCC1CC 2230a_100000210034_100000210623 [1,0,0,1,0,0|2,0,0]=4 3145 B11R1.41 C=CCN1CCCCC1CC 269982a_100000210034_100000210623 [1,0,0,1,0,0|2,0,0]=4 3146 B11R1.41 C=CCN1CCCCC1CC 34a_100000210034_100015514636 [1,0,0,1,0,0|2,0,0]=4 3147 B11R1.41 CCC1CCCCN1CC=O 2230a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 3148 B11R1.41 CCC1CCCCN1CC=O 269982a_100000210034_200015260668 [1,0,0,1,0,0|1,0,0]=3 3149 B11R1.41 CCC1CCCCN1CC=O 34a_100000210034_200009817547 [1,0,0,1,0,0|1,0,0]=3 3150 B11R1.41 CCC1CCCCN1CCO 2230a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 3151 B11R1.41 CCC1CCCCN1CCO 269982a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 3152 B11R1.41 CCC1CCCCN1CCO 34a_100000210034_100000211926 [1,0,0,1,0,0|1,0,1]=4 3153 B11R1.41 CCN1CCCCC1CCO 2230a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 3154 B11R1.41 CCN1CCCCC1CCO 269982a_100000211664_100000204670 [1,0,0,1,0,0|1,0,1]=4 3155 B11R1.41 CCN1CCCCC1CCO 34a_100000211664_100000210202 [1,0,0,1,0,0|1,0,1]=4 3156 B11R1.41 CC[C@H]1COCCN1CC=O 2230a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 3157 B11R1.41 CC[C@H]1COCCN1CC=O 269982a_100016988097_200015260668 [1,0,0,1,0,0|2,0,0]=4 3158 B11R1.41 CC[C@H]1COCCN1CC=O 34a_100016988097_200009817547 [1,0,0,1,0,0|2,0,0]=4 3159 B11R1.41 O=CCN1CCCCC1CO 2230a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 3160 B11R1.41 O=CCN1CCCCC1CO 269982a_100000210821_200015260668 [1,0,0,1,0,0|2,0,0]=4 3161 B11R1.41 O=CCN1CCCCC1CO 34a_100000210821_200009817547 [1,0,0,1,0,0|2,0,0]=4 3162 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 3163 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 3164 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [1,0,0,1,0,0|2,0,0]=4 3165 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [1,0,0,1,0,0|2,0,0]=4 3166 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [1,0,0,1,0,0|2,0,0]=4 3167 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [1,0,0,1,0,0|2,0,0]=4 3168 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [1,0,0,1,0,0|2,0,0]=4 3169 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [1,0,0,1,0,0|2,0,0]=4 3170 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [1,0,0,1,0,0|2,0,0]=4 3171 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [1,0,0,1,0,0|2,0,0]=4 3172 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [1,0,0,1,0,0|2,0,0]=4 3173 B11R1.203 CCCCN1CCCOCC1 2230a_100000685342_100000210211 [1,0,0,1,0,0|1,0,1]=4 3174 B11R1.203 CCCCN1CCCOCC1 269982a_100000685342_100000210211 [1,0,0,1,0,0|1,0,1]=4 3175 B11R1.203 CCCCN1CCCOCC1 34a_100000685342_100000210210 [1,0,0,1,0,0|1,0,1]=4 3176 B11R1.203 CNCCC1CCCCCC1 2230a_100011532351_200000210301 [1,0,0,1,0,0|2,0,0]=4 3177 B11R1.203 CNCCC1CCCCCC1 34a_100011532351_200000210301 [1,0,0,1,0,0|2,0,0]=4 3178 B11R1.203 O=CCNC1CCCCCC1 2230a_100000210984_200015260668 [1,0,0,1,0,0|1,0,0]=3 3179 B11R1.203 O=CCNC1CCCCCC1 34a_100000210984_200009817547 [1,0,0,1,0,0|1,0,0]=3 3180 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [1,0,0,1,0,0|1,0,0]=3 3181 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [1,0,0,1,0,0|1,0,0]=3 3182 B11R1.203 O=CCSC1CCCCCC1 62a_100011217769_200015260668 [1,0,0,1,0,0|1,0,0]=3 3183 B11R1.203 O=CCSC1CCCCCC1 62a_200015260668_100011217769 [1,0,0,1,0,0|1,0,0]=3 3184 B11R1.203 OCCCN1CCCCCC1 2230a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 3185 B11R1.203 OCCCN1CCCCCC1 269982a_100000185865_100011215043 [1,0,0,1,0,0|1,0,1]=4 3186 B11R1.203 OCCCN1CCCCCC1 34a_100000185865_100000230001 [1,0,0,1,0,0|1,0,1]=4 3187 B11R1.203 OCCNC1CCCCCC1 2230a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 3188 B11R1.203 OCCNC1CCCCCC1 270004a_100000210304_100000210131 [1,0,0,1,0,0|1,0,1]=4 3189 B11R1.203 OCCNC1CCCCCC1 34a_100000210984_100000211926 [1,0,0,1,0,0|1,0,1]=4 3190 B11R1.203 OCCNC1CCCCCC1 34a_100016990907_100011217769 [1,0,0,1,0,0|1,0,1]=4 3191 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 3192 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [1,0,0,1,0,0|1,0,1]=4 3193 B11R1.203 OCCSC1CCCCCC1 62a_100000211926_100011217769 [1,0,0,1,0,0|1,0,1]=4 3194 B11R1.203 OCCSC1CCCCCC1 62a_100011217769_100000211926 [1,0,0,1,0,0|1,0,1]=4 3195 B11R1.203 [13CH3]NCCC1CCCCCC1 2230a_100011532351_200025704644 [1,0,0,1,0,0|2,0,0]=4 3196 B11R1.203 [13CH3]NCCC1CCCCCC1 34a_100011532351_200025704644 [1,0,0,1,0,0|2,0,0]=4 3197 B11R1.214 C=CCNC1CCC(C1)CC 270004a_100020586998_100011218773 [1,0,0,1,0,0|2,0,0]=4 3198 B11R1.214 CCC1CCC(C1)NCCO 270004a_100000210304_100011218773 [1,0,0,1,0,0|1,0,1]=4 3199 B11R1.214 CCCCN1CCC(C1)CO 2230a_100000748654_100000210211 [1,0,0,1,0,0|1,0,1]=4 3200 B11R1.214 CCCCN1CCC(C1)CO 269982a_100000748654_100000210211 [1,0,0,1,0,0|1,0,1]=4 3201 B11R1.214 CCCCN1CCC(C1)CO 34a_100000748654_100000210210 [1,0,0,1,0,0|1,0,1]=4 3202 B11R1.214 CCN1CCC(C1)NCC=O 2230a_100015188829_200015260668 [1,0,0,1,0,0|2,0,0]=4 3203 B11R1.214 CCN1CCC(C1)SCC=O 62a_200015260668_200011861547 [1,0,0,1,0,0|2,0,0]=4 3204 B11R1.214 CCNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000210202 [1,0,0,1,0,0|1,0,1]=4 3205 B11R1.317 C=CCCN(CC)C1CCC1 2230a_100000758130_100000754431 [1,0,0,1,0,0|2,0,0]=4 3206 B11R1.317 C=CCCN(CC)C1CCC1 269982a_100000758130_100000754431 [1,0,0,1,0,0|2,0,0]=4 3207 B11R1.317 CCN(CCCO)C1CCC1 2230a_100000758130_100000230001 [1,0,0,1,0,0|1,0,1]=4 3208 B11R1.317 CCN(CCCO)C1CCC1 269982a_100000758130_100011215043 [1,0,0,1,0,0|1,0,1]=4 3209 B11R1.319 CCCCN(CC)CC1CO1 2230a_100000207695_100011216344 [1,0,0,1,0,0|1,0,1]=4 3210 B11R1.319 CCCCN(CC)CC1CO1 269982a_100000207695_102125554688 [1,0,0,1,0,0|1,0,1]=4 3211 B11R1.319 CCCCN(CC)C[C@@H]1CO1 269982a_100000207695_100000745022 [1,0,0,1,0,0|1,0,1]=4 3212 B11R1.920 COCCC1(CC1)NCC=O 2230a_100020603293_200015260668 [1,0,0,1,0,0|2,0,0]=4 3213 B11R1.920 COCCC1(CC1)NCC=O 34a_100020603293_200009817547 [1,0,0,1,0,0|2,0,0]=4 3214 B11R1.958 CCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210202 [1,0,0,1,0,0|2,0,0]=4 3215 B11R1.958 CCN1CCC(=O)N(CC1)C 269982a_100020591582_100000204670 [1,0,0,1,0,0|2,0,0]=4 3216 B11R1.958 CCN1CCC(=O)N(CC1)C 34a_100020591582_100000210202 [1,0,0,1,0,0|2,0,0]=4 3217 B11R1.1135 C=CCNC1(CCCC1)CC 2230a_100015183760_100000210623 [1,0,0,1,0,0|2,0,0]=4 3218 B11R1.1135 C=CCOC1(CCCC1)CC 7a_100000752416_100015514636 [1,0,0,1,0,0|2,0,0]=4 3219 B11R1.1135 CCC1(CCCC1)NCC=O 2230a_100015183760_200015260668 [1,0,0,1,0,0|1,0,0]=3 3220 B11R1.1135 CCC1(CCCC1)NCCO 2230a_100015183760_100000211926 [1,0,0,1,0,0|1,0,1]=4 3221 B11R1.1135 CCC1(CCCC1)OCC=O 7a_100000752416_200015260668 [1,0,0,1,0,0|1,0,0]=3 3222 B11R1.1135 CCC1(CCCC1)OCCO 7a_100000752416_100000211926 [1,0,0,1,0,0|1,0,1]=4 3223 B11R1.1135 NCC1(CCCC1)OCC=O 34a_100000737848_200009817547 [1,0,0,1,0,0|2,0,0]=4 3224 B11R1.1135 O=CCNC1(CCCC1)CO 2230a_100000749328_200015260668 [1,0,0,1,0,0|2,0,0]=4 3225 B11R1.1135 O=CCNC1(CCCC1)CO 34a_100000749328_200009817547 [1,0,0,1,0,0|2,0,0]=4 3226 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [1,0,0,1,0,0|2,0,0]=4 3227 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 3228 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [1,0,0,1,0,0|2,0,0]=4 3229 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [1,0,0,1,0,0|1,0,1]=4 3230 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [1,0,0,1,0,0|1,0,1]=4 3231 B11R1.75 CC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000053229 [1,0,0,1,0,0|2,0,0]=4 3232 B11R1.75 CC1CCC(C1)OCC(=O)N 34a_100000698185_100000187820 [1,0,0,1,0,0|2,0,0]=4 3233 B11R1.75 CC1CCC(C1)OCC(=O)[O-] 34a_100000698185_100020667443 [1,0,0,1,0,0|1,0,1]=4 3234 B11R1.75 CN1CCC(C1)NCC(=O)O 269956a_100016091260_200012183744 [1,0,0,1,0,0|2,0,0]=4 3235 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 2230a_100016987628_100000744528 [1,0,0,1,0,0|2,0,0]=4 3236 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 269982a_100016987628_100000744528 [1,0,0,1,0,0|2,0,0]=4 3237 B11R1.75 C[C@@H]1CCN(C1)CCC(=O)N 34a_100016987628_100000731001 [1,0,0,1,0,0|2,0,0]=4 3238 B11R1.90 CC(=O)CCC1CCCN1C 1458a_100000070787_100000005710 [1,0,0,1,0,0|2,0,0]=4 3239 B11R1.90 CC(=O)CCN1CCC[C@@H]1C 269982a_100020605311_100000053229 [1,0,0,1,0,0|2,0,0]=4 3240 B11R1.90 CC(=O)CCN1CCC[C@H]1C 269982a_100015189458_100000053229 [1,0,0,1,0,0|2,0,0]=4 3241 B11R1.90 CC1CCCC1OCC(=O)N 34a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 3242 B11R1.90 CC1CCCC1OCC(=O)N 7a_100011216460_100000187820 [1,0,0,1,0,0|2,0,0]=4 3243 B11R1.90 CC1CCCC1OCC(=O)[O-] 34a_100011216460_100020667443 [1,0,0,1,0,0|1,0,1]=4 3244 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 2230a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 3245 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 269982a_100015189458_100000744528 [1,0,0,1,0,0|2,0,0]=4 3246 B11R1.90 C[C@@H]1CCCN1CCC(=O)N 34a_100015189458_100000731001 [1,0,0,1,0,0|2,0,0]=4 3247 B11R1.90 C[C@H]1CCCN1CCC(=O)N 2230a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 3248 B11R1.90 C[C@H]1CCCN1CCC(=O)N 269982a_100020605311_100000744528 [1,0,0,1,0,0|2,0,0]=4 3249 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 269956a_100016091260_200016002552 [1,0,0,1,0,0|2,0,0]=4 3250 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,1,0,0|1,0,0]=3 3251 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,1,0,0|1,0,0]=3 3252 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,1,0,0|2,0,0]=4 3253 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,1,0,0|2,0,0]=4 3254 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,1,0,0|2,0,0]=4 3255 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,1,0,0|2,0,0]=4 3256 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,1,0,0|2,0,0]=4 3257 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,1,0,0|2,0,0]=4 3258 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 3259 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 3260 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,1,0,0|2,0,0]=4 3261 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,1,0,0|2,0,0]=4 3262 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,0,1,0,0|2,0,0]=4 3263 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,0,1,0,0|2,0,0]=4 3264 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 3265 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [1,0,0,1,0,0|2,0,0]=4 3266 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [1,0,0,1,0,0|2,0,0]=4 3267 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [1,0,0,1,0,0|2,0,0]=4 3268 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,1,0,0|1,0,0]=3 3269 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [1,0,0,1,0,0|2,0,0]=4 3270 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [1,0,0,1,0,0|2,0,0]=4 3271 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [1,0,0,1,0,0|2,0,0]=4 3272 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,0,1,0,0|1,0,1]=4 3273 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [1,0,0,1,0,0|1,0,1]=4 3274 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [1,0,0,1,0,0|1,0,1]=4 3275 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [1,0,0,1,0,0|1,0,1]=4 3276 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,1,0,0|1,0,0]=3 3277 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,1,0,0|2,0,0]=4 3278 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,1,0,0|2,0,0]=4 3279 B11R1.98 CCCN(CC)C1CC(=O)C1 269982a_100000226822_100009894365 [1,0,0,1,0,0|2,0,0]=4 3280 B11R1.124 CCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210303 [1,0,0,1,0,0|2,0,0]=4 3281 B11R1.124 CCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210303 [1,0,0,1,0,0|2,0,0]=4 3282 B11R1.124 CCCN1CCC(C1)C(=O)N 34a_100000752358_100000210303 [1,0,0,1,0,0|2,0,0]=4 3283 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210202 [1,0,0,1,0,0|1,0,0]=3 3284 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 269956a_100015195206_100015361967 [1,0,0,1,0,0|2,0,0]=4 3285 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [1,0,0,1,0,0|2,0,0]=4 3286 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [1,0,0,1,0,0|2,0,0]=4 3287 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [1,0,0,1,0,0|2,0,0]=4 3288 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [1,0,0,1,0,0|2,0,0]=4 3289 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [1,0,0,1,0,0|2,0,0]=4 3290 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [1,0,0,1,0,0|2,0,0]=4 3291 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [1,0,0,1,0,0|2,0,0]=4 3292 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [1,0,0,1,0,0|2,0,0]=4 3293 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [1,0,0,1,0,0|2,0,0]=4 3294 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [1,0,0,1,0,0|1,0,0]=3 3295 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [1,0,0,1,0,0|2,0,0]=4 3296 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [1,0,0,1,0,0|2,0,0]=4 3297 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [1,0,0,1,0,0|2,0,0]=4 3298 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [1,0,0,1,0,0|2,0,0]=4 3299 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [1,0,0,1,0,0|1,0,0]=3 3300 B11R1.400 CCC1(CCC1)CNC(=O)C 11a_100000685557_100015343762 [1,0,0,1,0,0|2,0,0]=4 3301 B11R1.400 CCC1(CCC1)CNC(=O)C 1626a_100000685557_100015343762 [1,0,0,1,0,0|2,0,0]=4 3302 B11R1.400 CCC1(CCC1)CNC(=O)C 240690a_100000685557_100015343762 [1,0,0,1,0,0|2,0,0]=4 3303 B11R1.400 CCC1(CCC1)CNC(=O)C 527a_100000685557_100103153847 [1,0,0,1,0,0|2,0,0]=4 3304 B11R1.792 CCCC1(CC1)NCC(=O)N 2230a_100015185929_100000747473 [1,0,0,1,0,0|2,0,0]=4 3305 B11R1.811 CCC(NCC(=O)N)C1CC1 2230a_100025715781_100000747473 [1,0,0,1,0,0|2,0,0]=4 3306 B11R1.811 CCC(NCC(=O)N)C1CC1 34a_100025715781_100000187820 [1,0,0,1,0,0|2,0,0]=4 3307 B11R1.811 CCC(NCC(=O)[O-])C1CC1 34a_100025715781_100020667443 [1,0,0,1,0,0|1,0,1]=4 3308 B11R1.811 CCC(OCC(=O)N)C1CC1 34a_100011351122_100000187820 [1,0,0,1,0,0|2,0,0]=4 3309 B11R1.811 CCC(OCC(=O)N)C1CC1 7a_100011351122_100000187820 [1,0,0,1,0,0|2,0,0]=4 3310 B11R1.811 CCC(OCC(=O)[O-])C1CC1 34a_100011351122_100020667443 [1,0,0,1,0,0|1,0,1]=4 3311 B11R1.811 CCN(CCC(=O)C)C1CC1 269982a_100000738653_100000053229 [1,0,0,1,0,0|2,0,0]=4 3312 B11R1.811 CCN(CCC(=O)N)C1CC1 2230a_100000738653_100000744528 [1,0,0,1,0,0|2,0,0]=4 3313 B11R1.811 CCN(CCC(=O)N)C1CC1 269982a_100000738653_100000744528 [1,0,0,1,0,0|2,0,0]=4 3314 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [1,0,0,1,0,0|2,0,0]=4 3315 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [1,0,0,1,0,0|2,0,0]=4 3316 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [1,0,0,1,0,0|2,0,0]=4 3317 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 3318 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 3319 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [1,0,0,1,0,0|2,0,0]=4 3320 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [1,0,0,1,0,0|2,0,0]=4 3321 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [1,0,0,1,0,0|2,0,0]=4 3322 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 3323 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [1,0,0,1,0,0|2,0,0]=4 3324 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [1,0,0,1,0,0|1,0,1]=4 3325 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [1,0,0,1,0,0|1,0,1]=4 3326 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 3327 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 3328 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [1,0,0,1,0,0|2,0,0]=4 3329 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 3330 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 3331 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [1,0,0,1,0,0|2,0,0]=4 3332 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [1,0,0,1,0,0|2,0,0]=4 3333 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [1,0,0,1,0,0|2,0,0]=4 3334 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [1,0,0,1,0,0|1,0,0]=3 3335 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [1,0,0,1,0,0|1,0,0]=3 3336 B11R1.211 CCCCN1CC(C1)C(=O)N 34a_100025753142_100000210210 [1,0,0,1,0,0|2,0,0]=4 3337 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210207 [1,0,0,1,0,0|1,0,0]=3 3338 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000766300 [1,0,0,1,0,0|2,0,0]=4 3339 B11R1.211 CSCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218213 [1,0,0,1,0,0|2,0,0]=4 3340 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 269956a_100000738708_100011217306 [1,0,0,1,0,0|2,0,0]=4 3341 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 269956a_100000738708_100000211926 [1,0,0,1,0,0|2,0,0]=4 3342 B11R1.262 CCC1CN(C1)CCC(=O)C 269982a_100015205115_100000053229 [1,0,0,1,0,0|2,0,0]=4 3343 B11R1.262 CCC1CN(C1)CCC(=O)N 2230a_100015205115_100000744528 [1,0,0,1,0,0|2,0,0]=4 3344 B11R1.262 CCC1CN(C1)CCC(=O)N 269982a_100015205115_100000744528 [1,0,0,1,0,0|2,0,0]=4 3345 B11R1.262 O=C(O)CNC1CC(C1)CO 269956a_100016091260_100009874164 [1,0,0,1,0,0|2,0,0]=4 3346 B11R1.287 CCCCN(C)C1CC(=O)C1 269982a_100000207549_100009894365 [1,0,0,1,0,0|2,0,0]=4 3347 B11R1.346 CC(=O)CCN(C)C1CCC1 269982a_100000758072_100000053229 [1,0,0,1,0,0|2,0,0]=4 3348 B11R1.346 CC(NCC(=O)N)C1CCC1 2230a_100016994624_100000747473 [1,0,0,1,0,0|2,0,0]=4 3349 B11R1.346 CC(NCC(=O)N)C1CCC1 34a_100016994624_100000187820 [1,0,0,1,0,0|2,0,0]=4 3350 B11R1.346 CC(NCC(=O)[O-])C1CCC1 34a_100016994624_100020667443 [1,0,0,1,0,0|1,0,1]=4 3351 B11R1.346 CC(OCC(=O)N)C1CCC1 34a_100000766398_100000187820 [1,0,0,1,0,0|2,0,0]=4 3352 B11R1.346 CC(OCC(=O)N)C1CCC1 7a_100000766398_100000187820 [1,0,0,1,0,0|2,0,0]=4 3353 B11R1.346 CC(OCC(=O)[O-])C1CCC1 34a_100000766398_100020667443 [1,0,0,1,0,0|1,0,1]=4 3354 B11R1.346 CN(CCC(=O)N)C1CCC1 2230a_100000758072_100000744528 [1,0,0,1,0,0|2,0,0]=4 3355 B11R1.346 CN(CCC(=O)N)C1CCC1 269982a_100000758072_100000744528 [1,0,0,1,0,0|2,0,0]=4 3356 B11R1.346 CN(CCC(=O)N)C1CCC1 270004a_100000730477_100000241760 [1,0,0,1,0,0|2,0,0]=4 3357 B11R1.346 CN(CCC(=O)N)C1CCC1 34a_100000758072_100000731001 [1,0,0,1,0,0|2,0,0]=4 3358 B11R1.348 CC(=O)CCN(C)CC1CC1 269982a_100000741881_100000053229 [1,0,0,1,0,0|2,0,0]=4 3359 B11R1.348 CN(CCC(=O)N)CC1CC1 2230a_100000730477_100000742324 [1,0,0,1,0,0|2,0,0]=4 3360 B11R1.348 CN(CCC(=O)N)CC1CC1 2230a_100000741881_100000744528 [1,0,0,1,0,0|2,0,0]=4 3361 B11R1.348 CN(CCC(=O)N)CC1CC1 269982a_100000741881_100000744528 [1,0,0,1,0,0|2,0,0]=4 3362 B11R1.495 CC1CCC(N1CC(=O)N)C 2230a_100000687148_100000747473 [1,0,0,1,0,0|2,0,0]=4 3363 B11R1.495 CC1CCC(N1CC(=O)N)C 269982a_100000687148_100000187820 [1,0,0,1,0,0|2,0,0]=4 3364 B11R1.495 CC1CCC(N1CC(=O)N)C 34a_100000687148_100000187820 [1,0,0,1,0,0|2,0,0]=4 3365 B11R1.495 CC1CCC(N1CC(=O)[O-])C 269982a_100000687148_100020667443 [1,0,0,1,0,0|1,0,1]=4 3366 B11R1.495 CC1CCC(N1CC(=O)[O-])C 34a_100000687148_100020667443 [1,0,0,1,0,0|1,0,1]=4 3367 B11R1.713 CC1(CCCC1)OCC(=O)N 34a_100000751722_100000187820 [1,0,0,1,0,0|2,0,0]=4 3368 B11R1.713 CC1(CCCC1)OCC(=O)N 7a_100000751722_100000187820 [1,0,0,1,0,0|2,0,0]=4 3369 B11R1.713 CC1(CCCC1)OCC(=O)[O-] 34a_100000751722_100020667443 [1,0,0,1,0,0|1,0,1]=4 3370 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,0,1,1,0|1,0,0]=3 3371 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,0,0,1,1,0|2,0,0]=4 3372 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,0,0,1,1,0|2,0,0]=4 3373 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,0,0,1,1,0|2,0,0]=4 3374 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,0,0,1,1,0|2,0,0]=4 3375 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,0,0,1,1,0|2,0,0]=4 3376 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,0,0,1,1,0|2,0,0]=4 3377 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,0,1,1,0|1,0,0]=3 3378 B11R1.20 CC1CCN(CC1)CC(=O)N 2230a_100000188429_100000747473 [0,0,0,1,1,0|2,0,0]=4 3379 B11R1.20 CC1CCN(CC1)CC(=O)N 269982a_100000188429_100000187820 [0,0,0,1,1,0|2,0,0]=4 3380 B11R1.20 CC1CCN(CC1)CC(=O)N 34a_100000188429_100000187820 [0,0,0,1,1,0|2,0,0]=4 3381 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,0,0,1,1,0|2,0,0]=4 3382 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 269982a_100000188429_100020667443 [0,0,0,1,1,0|1,0,1]=4 3383 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 34a_100000188429_100020667443 [0,0,0,1,1,0|1,0,1]=4 3384 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,0,0,1,1,0|2,0,0]=4 3385 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,0,0,1,1,0|2,0,0]=4 3386 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,0,0,1,1,0|2,0,0]=4 3387 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,0,0,1,1,0|2,0,0]=4 3388 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,0,0,1,1,0|2,0,0]=4 3389 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,0,0,1,1,0|2,0,0]=4 3390 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,0,0,1,1,0|2,0,0]=4 3391 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,0,0,1,1,0|1,0,0]=3 3392 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,0,0,1,1,0|2,0,0]=4 3393 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,0,0,1,1,0|2,0,0]=4 3394 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,0,0,1,1,0|2,0,0]=4 3395 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,0,0,1,1,0|2,0,0]=4 3396 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,0,0,1,1,0|2,0,0]=4 3397 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,0,0,1,1,0|2,0,0]=4 3398 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,0,0,1,1,0|2,0,0]=4 3399 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,0,0,1,1,0|2,0,0]=4 3400 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,0,0,1,1,0|2,0,0]=4 3401 B11R1.43 CCN1CCC(C1)CC(=O)C 1458a_100000070787_100015184589 [0,0,0,1,1,0|2,0,0]=4 3402 B11R1.43 CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210202 [0,0,0,1,1,0|1,0,0]=3 3403 B11R1.43 O=C(O)CC1CCN(C1)CF 269956a_100000719201_100015361967 [0,0,0,1,1,0|2,0,0]=4 3404 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,0,1,1,0|2,0,0]=4 3405 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,0,1,1,0|2,0,0]=4 3406 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,0,1,1,0|2,0,0]=4 3407 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,0,1,1,0|2,0,0]=4 3408 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,1,0|2,0,0]=4 3409 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,0,0,1,1,0|2,0,0]=4 3410 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,0,0,1,1,0|2,0,0]=4 3411 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,0,0,1,1,0|2,0,0]=4 3412 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,1,0|2,0,0]=4 3413 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,0,1,1,0|1,0,0]=3 3414 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,0,0,1,1,0|2,0,0]=4 3415 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,0,0,1,1,0|2,0,0]=4 3416 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,0,0,1,1,0|2,0,0]=4 3417 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,0,0,1,1,0|1,0,0]=3 3418 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,0,0,1,1,0|2,0,0]=4 3419 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,0,0,1,1,0|1,0,0]=3 3420 B11R1.204 CCCCN1CCC1C(=O)O 269956a_100000021838_100000210211 [0,0,0,1,1,0|1,0,0]=3 3421 B11R1.204 CCOCN1CCC1C(=O)O 269956a_100000021838_100000739092 [0,0,0,1,1,0|2,0,0]=4 3422 B11R1.204 COCCN1CCC1C(=O)O 269956a_100000021838_100000233755 [0,0,0,1,1,0|2,0,0]=4 3423 B11R1.204 CSCCN1CCC1C(=O)O 269956a_100000021838_100000212216 [0,0,0,1,1,0|2,0,0]=4 3424 B11R1.204 O=C(O)C1CCN1CCCF 269956a_100000021838_100011934791 [0,0,0,1,1,0|2,0,0]=4 3425 B11R1.204 O=C(O)C1CCN1CCCO 269956a_100000021838_100011215043 [0,0,0,1,1,0|2,0,0]=4 3426 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,1,0|1,0,0]=3 3427 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,1,0|1,0,0]=3 3428 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,1,0|2,0,0]=4 3429 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,1,1,0|2,0,0]=4 3430 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,1,1,0|2,0,0]=4 3431 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,1,1,0|2,0,0]=4 3432 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,1,1,0|2,0,0]=4 3433 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,1,1,0|2,0,0]=4 3434 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,1,1,0|2,0,0]=4 3435 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,1,1,0|2,0,0]=4 3436 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,1,1,0|1,0,1]=4 3437 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,1,1,0|1,0,1]=4 3438 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,1,0|1,0,0]=3 3439 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,1,0|2,0,0]=4 3440 B11R1.751 CCN(CC(=O)N)C1CCC1 2230a_100000758130_100000747473 [0,0,0,1,1,0|2,0,0]=4 3441 B11R1.751 CCN(CC(=O)N)C1CCC1 269982a_100000758130_100000187820 [0,0,0,1,1,0|2,0,0]=4 3442 B11R1.751 CCN(CC(=O)O)C1CCC1 269956a_100000746405_100000749161 [0,0,0,1,1,0|1,0,0]=3 3443 B11R1.751 CCN(CC(=O)O)C1COC1 269956a_100000746405_100009818527 [0,0,0,1,1,0|2,0,0]=4 3444 B11R1.751 CCN(CC(=O)[O-])C1CCC1 269982a_100000758130_100020667443 [0,0,0,1,1,0|1,0,1]=4 3445 B11R1.918 CCNCC1(CC1)CC(=O)O 269956a_100020588786_100000210202 [0,0,0,1,1,0|1,0,0]=3 3446 B11R1.918 O=C(O)CC1(CC1)CNCF 269956a_100020588786_100015361967 [0,0,0,1,1,0|2,0,0]=4 3447 B11R1.1032 CCN(CC(=O)O)CC1CC1 269956a_100000746405_100000742324 [0,0,0,1,1,0|1,0,0]=3 3448 B11R1.1032 CCN(CC(=O)O)CC1CO1 269956a_100000746405_102125554688 [0,0,0,1,1,0|2,0,0]=4 3449 B11R1.1032 CCN(CC(=O)O)CC1CS1 269956a_100000746405_100000031435 [0,0,0,1,1,0|2,0,0]=4 3450 B11R1.1032 CCN(CC(=O)O)C[C@@H]1CO1 269956a_100000746405_100000745022 [0,0,0,1,1,0|2,0,0]=4 3451 B11R1.1032 CC[C@H](CC(=O)O)NC1CC1 269956a_100016995926_100000211595 [0,0,0,1,1,0|1,0,0]=3 3452 B11R1.1032 O=C(O)C[C@@H](CO)NC1CC1 269956a_100009816507_100000211595 [0,0,0,1,1,0|2,0,0]=4 3453 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,0,0,1,1,0|2,0,0]=4 3454 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,0,0,1,1,0|2,0,0]=4 3455 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,0,0,1,1,0|2,0,0]=4 3456 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,0,0,1,1,0|2,0,0]=4 3457 B13R1.25 CCCCC(CC)N1CCC(C1)O 269982a_100011215560_200011216223 [0,0,0,1,0,1|1,0,1]=4 3458 B13R1.25 CCCCC(CC)N1CCC(C1)O 270004a_100011215560_100000753412 [0,0,0,1,0,1|1,0,1]=4 3459 B13R1.60 CCC1CCC(C1)NCCC(C)O 270004a_200000755665_100011218773 [0,0,0,1,0,1|1,0,1]=4 3460 B13R1.60 CCN1CCC(C1)CNCC(=O)N 2230a_100000711301_100015184589 [0,0,0,1,0,1|2,0,0]=4 3461 B13R1.60 CCN1CCC(C1)CNCC(=O)N 2230a_100011224064_100000747473 [0,0,0,1,0,1|2,0,0]=4 3462 B13R1.60 CCN1CCC(C1)CNCC(=O)O 269956a_100016091260_100015184589 [0,0,0,1,0,1|1,0,0]=3 3463 B13R1.60 CCN1CCC(C1)CSCC(=O)N 62a_100000747473_100015184589 [0,0,0,1,0,1|2,0,0]=4 3464 B13R1.60 CCN1CCC(C1)CSCC(=O)N 62a_100015184589_100000747473 [0,0,0,1,0,1|2,0,0]=4 3465 B13R1.60 CCN1CCC(C1)CSCC(=O)[O-] 62a_100015184589_100020667443 [0,0,0,1,0,1|1,0,1]=4 3466 B13R1.60 CCN1CCC(C1)CSCC(=O)[O-] 62a_100020667443_100015184589 [0,0,0,1,0,1|1,0,1]=4 3467 B13R1.60 CCN1CCC(C1)NCCC(=O)N 2230a_100015188829_100000744528 [0,0,0,1,0,1|2,0,0]=4 3468 B13R1.60 CCN1CCC(C1)NOCC(=O)O 269956a_100000106656_200011861547 [0,0,0,1,0,1|2,0,0]=4 3469 B13R1.60 CCN1CCC(C1)OCCC(=O)C 7a_100000759926_200011861547 [0,0,0,1,0,1|2,0,0]=4 3470 B13R1.60 CCN1CCC(C1)OCCC(=O)N 7a_100000757172_200011861547 [0,0,0,1,0,1|2,0,0]=4 3471 B13R1.60 CCN1CCC(C1)SCCC(=O)C 62a_100000053229_200011861547 [0,0,0,1,0,1|2,0,0]=4 3472 B13R1.60 CCN1CCC(C1)SCCC(=O)N 62a_100000744528_200011861547 [0,0,0,1,0,1|2,0,0]=4 3473 B13R1.60 NC(=O)CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100000187820 [0,0,0,1,0,1|2,0,0]=4 3474 B13R1.60 NC[C@@H]1CC[C@@H](C1)COCC(=O)N 34a_206354213956_100000187820 [0,0,0,1,0,1|2,0,0]=4 3475 B13R1.60 NC[C@@H]1CC[C@@H](C1)COCC(=O)[O-] 34a_206354213956_100020667443 [0,0,0,1,0,1|1,0,1]=4 3476 B13R1.60 O=C([O-])CNC[C@@H]1CC[C@@H](C1)CO 34a_206354213956_100020667443 [0,0,0,1,0,1|1,0,1]=4 3477 B13R1.74 CC(=O)N1CCC(CC1)CCCO 240690a_100016988962_100015343762 [0,0,0,1,0,1|2,0,0]=4 3478 B13R1.74 CC(=O)N1CCC(CC1)CCCO 527a_100016988962_100103153847 [0,0,0,1,0,1|2,0,0]=4 3479 B13R1.74 CCCCC1CCC(CC1)C(=O)C 1458a_100000183790_200000210301 [0,0,0,1,0,1|1,0,0]=3 3480 B13R1.74 CCCCC1CCC(CC1)C(=O)[13CH3] 1458a_100000183790_200025704644 [0,0,0,1,0,1|1,0,0]=3 3481 B13R1.74 CCCCC1CCN(CC1)C(=O)C 1626a_200016987432_100015343762 [0,0,0,1,0,1|1,0,0]=3 3482 B13R1.74 CCCCC1CCN(CC1)C(=O)C 240690a_200016987432_100015343762 [0,0,0,1,0,1|1,0,0]=3 3483 B13R1.74 CCCCC1CCN(CC1)C(=O)C 527a_200016987432_100103153847 [0,0,0,1,0,1|1,0,0]=3 3484 B13R1.74 CCCCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210211 [0,0,0,1,0,1|2,0,0]=4 3485 B13R1.74 CCCCN1CCC(CC1)C(=O)N 269982a_100000210938_100000210211 [0,0,0,1,0,1|2,0,0]=4 3486 B13R1.74 CCCCN1CCC(CC1)C(=O)N 34a_100000210938_100000210210 [0,0,0,1,0,1|2,0,0]=4 3487 B13R1.74 CCCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210211 [0,0,0,1,0,1|1,0,0]=3 3488 B13R1.74 CCCCN1CCN(CC1)C(=O)C 11a_100011194250_100015343762 [0,0,0,1,0,1|2,0,0]=4 3489 B13R1.74 CCCCN1CCN(CC1)C(=O)C 1626a_100011194250_100015343762 [0,0,0,1,0,1|2,0,0]=4 3490 B13R1.74 CCCCN1CCN(CC1)C(=O)C 2230a_100000210354_100000210211 [0,0,0,1,0,1|2,0,0]=4 3491 B13R1.74 CCCCN1CCN(CC1)C(=O)C 240690a_100011194250_100015343762 [0,0,0,1,0,1|2,0,0]=4 3492 B13R1.74 CCCCN1CCN(CC1)C(=O)C 269982a_100000210354_100000210211 [0,0,0,1,0,1|2,0,0]=4 3493 B13R1.74 CCCCN1CCN(CC1)C(=O)C 527a_100011194250_100103153847 [0,0,0,1,0,1|2,0,0]=4 3494 B13R1.74 CCCCN1CCN(CC1)C(=O)N 269982a_100000737871_100000210211 [0,0,0,1,0,1|2,0,0]=4 3495 B13R1.74 CCCNC1CCC(CC1)C(=O)N 270004a_100020643023_200000102705 [0,0,0,1,0,1|2,0,0]=4 3496 B13R1.74 CCCNC1CCN(CC1)C(=O)C 2230a_100000203771_100000210303 [0,0,0,1,0,1|2,0,0]=4 3497 B13R1.74 CCCNC1CCN(CC1)C(=O)C 270004a_100020643023_100000162417 [0,0,0,1,0,1|2,0,0]=4 3498 B13R1.74 CCCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000210207 [0,0,0,1,0,1|1,0,0]=3 3499 B13R1.74 CCCOC1CCN(CC1)C(=O)C 11a_100020629755_100015343762 [0,0,0,1,0,1|2,0,0]=4 3500 B13R1.74 CCCOC1CCN(CC1)C(=O)C 1626a_100020629755_100015343762 [0,0,0,1,0,1|2,0,0]=4 3501 B13R1.74 CCCOC1CCN(CC1)C(=O)C 240690a_100020629755_100015343762 [0,0,0,1,0,1|2,0,0]=4 3502 B13R1.74 CCCOC1CCN(CC1)C(=O)C 527a_100020629755_100103153847 [0,0,0,1,0,1|2,0,0]=4 3503 B13R1.74 CCCOC1CCN(CC1)C(=O)C 7a_100000194330_100000210303 [0,0,0,1,0,1|2,0,0]=4 3504 B13R1.74 CCCSC1CCN(CC1)C(=O)C 62a_100000210303_100011863393 [0,0,0,1,0,1|2,0,0]=4 3505 B13R1.74 CCNCC1CCN(CC1)C(=O)C 269862a_100015525214_100000062618 [0,0,0,1,0,1|2,0,0]=4 3506 B13R1.74 CCNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_100000210202 [0,0,0,1,0,1|1,0,0]=3 3507 B13R1.74 CCOCC1CCN(CC1)C(=O)C 11a_100000755292_100015343762 [0,0,0,1,0,1|2,0,0]=4 3508 B13R1.74 CCOCC1CCN(CC1)C(=O)C 1626a_100000755292_100015343762 [0,0,0,1,0,1|2,0,0]=4 3509 B13R1.74 CCOCC1CCN(CC1)C(=O)C 240690a_100000755292_100015343762 [0,0,0,1,0,1|2,0,0]=4 3510 B13R1.74 CCOCC1CCN(CC1)C(=O)C 34a_100011380542_100000210202 [0,0,0,1,0,1|2,0,0]=4 3511 B13R1.74 CCOCC1CCN(CC1)C(=O)C 527a_100000755292_100103153847 [0,0,0,1,0,1|2,0,0]=4 3512 B13R1.74 CCOCC1CCN(CC1)C(=O)C 7a_100011380542_100000210202 [0,0,0,1,0,1|2,0,0]=4 3513 B13R1.74 CCOCN1CCC(CC1)C(=O)O 269956a_100000210459_100000739092 [0,0,0,1,0,1|2,0,0]=4 3514 B13R1.74 COCCC1CCN(CC1)C(=O)C 1626a_100011255180_100015343762 [0,0,0,1,0,1|2,0,0]=4 3515 B13R1.74 COCCC1CCN(CC1)C(=O)C 240690a_100011255180_100015343762 [0,0,0,1,0,1|2,0,0]=4 3516 B13R1.74 COCCC1CCN(CC1)C(=O)C 527a_100011255180_100103153847 [0,0,0,1,0,1|2,0,0]=4 3517 B13R1.74 COCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000233755 [0,0,0,1,0,1|2,0,0]=4 3518 B13R1.74 COCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000766300 [0,0,0,1,0,1|2,0,0]=4 3519 B13R1.74 CSCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000212216 [0,0,0,1,0,1|2,0,0]=4 3520 B13R1.74 CSCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100011218213 [0,0,0,1,0,1|2,0,0]=4 3521 B13R1.74 O=C(O)C1CCN(CC1)CCCF 269956a_100000210459_100011934791 [0,0,0,1,0,1|2,0,0]=4 3522 B13R1.74 O=C(O)C1CCN(CC1)CCCO 269956a_100000210459_100011215043 [0,0,0,1,0,1|2,0,0]=4 3523 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)CNCF 269956a_100000694822_100015361967 [0,0,0,1,0,1|2,0,0]=4 3524 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)NCCF 269956a_100009815960_100011217306 [0,0,0,1,0,1|2,0,0]=4 3525 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)NCCO 269956a_100009815960_100000211926 [0,0,0,1,0,1|2,0,0]=4 3526 B13R1.90 C=C(C)CCN1CCCCC1CC 2230a_100000210034_100000730704 [0,0,0,1,0,1|2,0,0]=4 3527 B13R1.90 C=C(C)CCN1CCCCC1CC 269982a_100000210034_100000730704 [0,0,0,1,0,1|2,0,0]=4 3528 B13R1.90 C=C(C)CCN1CCCCC1CC 34a_100000210034_100000730704 [0,0,0,1,0,1|2,0,0]=4 3529 B13R1.90 C=C(C)COC1CCCCC1CC 34a_100000210738_100000748629 [0,0,0,1,0,1|2,0,0]=4 3530 B13R1.90 C=C(C)COC1CCCCC1CC 7a_100000210738_100000748629 [0,0,0,1,0,1|2,0,0]=4 3531 B13R1.90 C=C(F)COC1CCCCC1CC 34a_100000210738_100009893438 [0,0,0,1,0,1|2,0,0]=4 3532 B13R1.90 C=C(F)COC1CCCCC1CC 7a_100000210738_100000042424 [0,0,0,1,0,1|2,0,0]=4 3533 B13R1.90 CC(=O)CCN1CCCCC1CO 269982a_100000210821_100000053229 [0,0,0,1,0,1|2,0,0]=4 3534 B13R1.90 CCC1CCCCC1NCC(C)O 269862a_100000210904_100000757040 [0,0,0,1,0,1|1,0,1]=4 3535 B13R1.90 CCC1CCCCC1NCC(C)O 270004a_100000210904_100000757040 [0,0,0,1,0,1|1,0,1]=4 3536 B13R1.90 CCC1CCCCC1OCC(=O)N 34a_100000210738_100000187820 [0,0,0,1,0,1|1,0,0]=3 3537 B13R1.90 CCC1CCCCC1OCC(=O)N 7a_100000210738_100000187820 [0,0,0,1,0,1|1,0,0]=3 3538 B13R1.90 CCC1CCCCC1OCC(=O)[O-] 34a_100000210738_100020667443 [0,0,0,1,0,1|0,0,1]=3 3539 B13R1.90 CCC1CCCCC1OCC(C)O 34a_100000210738_100011218427 [0,0,0,1,0,1|1,0,1]=4 3540 B13R1.90 CCC1CCCCC1OCC(C)O 7a_100000210738_100011218427 [0,0,0,1,0,1|1,0,1]=4 3541 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 34a_100000210738_100009817552 [0,0,0,1,0,1|1,0,1]=4 3542 B13R1.90 CCC1CCCCC1OC[C@@H](C)O 7a_100000210738_100009817552 [0,0,0,1,0,1|1,0,1]=4 3543 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 34a_100000210738_100000761209 [0,0,0,1,0,1|1,0,1]=4 3544 B13R1.90 CCC1CCCCN1CCC(=O)C 269982a_100000210034_100000053229 [0,0,0,1,0,1|1,0,0]=3 3545 B13R1.90 CCC1CCCCN1CCC(=O)N 2230a_100000210034_100000744528 [0,0,0,1,0,1|1,0,0]=3 3546 B13R1.90 CCC1CCCCN1CCC(=O)N 269982a_100000210034_100000744528 [0,0,0,1,0,1|1,0,0]=3 3547 B13R1.90 CCC1CCCCN1CCC(=O)N 34a_100000210034_100000731001 [0,0,0,1,0,1|1,0,0]=3 3548 B13R1.90 CCC1CCCCN1CCC(C)O 2230a_100000210034_100012276601 [0,0,0,1,0,1|1,0,1]=4 3549 B13R1.90 CCC1CCCCN1CCC(C)O 269982a_100000210034_100012276601 [0,0,0,1,0,1|1,0,1]=4 3550 B13R1.90 CCC1CCCCN1CCC(C)O 34a_100000210034_100012276601 [0,0,0,1,0,1|1,0,1]=4 3551 B13R1.90 CCC1CCCCN1COC(=O)C 269982a_100000210034_100000076356 [0,0,0,1,0,1|2,0,0]=4 3552 B13R1.90 CCC1CCCCN1COC(=O)C 34a_100000210034_100009813279 [0,0,0,1,0,1|2,0,0]=4 3553 B13R1.90 CCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210202 [0,0,0,1,0,1|1,0,0]=3 3554 B13R1.90 CCN1CCCCC1CNC(=O)C 11a_100000754393_100015343762 [0,0,0,1,0,1|2,0,0]=4 3555 B13R1.90 CCN1CCCCC1CNC(=O)C 1626a_100000754393_100015343762 [0,0,0,1,0,1|2,0,0]=4 3556 B13R1.90 CCN1CCCCC1CNC(=O)C 240690a_100000754393_100015343762 [0,0,0,1,0,1|2,0,0]=4 3557 B13R1.90 CCN1CCCCC1CNC(=O)C 527a_100000754393_100103153847 [0,0,0,1,0,1|2,0,0]=4 3558 B13R1.90 CC[C@H]1COCCN1CCC(=O)C 269982a_100016988097_100000053229 [0,0,0,1,0,1|2,0,0]=4 3559 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 2230a_100016988097_100000744528 [0,0,0,1,0,1|2,0,0]=4 3560 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 269982a_100016988097_100000744528 [0,0,0,1,0,1|2,0,0]=4 3561 B13R1.90 CC[C@H]1COCCN1CCC(=O)N 34a_100016988097_100000731001 [0,0,0,1,0,1|2,0,0]=4 3562 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)N 34a_100000708425_100000187820 [0,0,0,1,0,1|2,0,0]=4 3563 B13R1.90 CN[C@@H]1CCCC[C@H]1OCC(=O)[O-] 34a_100000708425_100020667443 [0,0,0,1,0,1|1,0,1]=4 3564 B13R1.90 COC1CCCCC1NCC(=O)N 34a_100011208099_100000187820 [0,0,0,1,0,1|2,0,0]=4 3565 B13R1.90 COC1CCCCC1NCC(=O)[O-] 34a_100011208099_100020667443 [0,0,0,1,0,1|1,0,1]=4 3566 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 34a_200009815850_100000187820 [0,0,0,1,0,1|2,0,0]=4 3567 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)N 7a_200009815850_100000187820 [0,0,0,1,0,1|2,0,0]=4 3568 B13R1.90 CO[C@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_200009815850_100020667443 [0,0,0,1,0,1|1,0,1]=4 3569 B13R1.90 NC(=O)CCN1CCCCC1CO 2230a_100000210821_100000744528 [0,0,0,1,0,1|2,0,0]=4 3570 B13R1.90 NC(=O)CCN1CCCCC1CO 269982a_100000210821_100000744528 [0,0,0,1,0,1|2,0,0]=4 3571 B13R1.90 NC(=O)CCN1CCCCC1CO 34a_100000210821_100000731001 [0,0,0,1,0,1|2,0,0]=4 3572 B13R1.90 NCC1CCCCC1OCC(=O)N 34a_100011216029_100000187820 [0,0,0,1,0,1|2,0,0]=4 3573 B13R1.90 NCC1CCCCC1OCC(=O)[O-] 34a_100011216029_100020667443 [0,0,0,1,0,1|1,0,1]=4 3574 B13R1.90 O=C(O)CCC1CCCCN1CF 269956a_100000694054_100015361967 [0,0,0,1,0,1|2,0,0]=4 3575 B13R1.97 C=C(C)CN1CC(CCC1C)CC 2230a_100011219223_100000748629 [0,0,0,1,0,1|2,0,0]=4 3576 B13R1.97 C=C(C)CN1CC(CCC1C)CC 269982a_100011219223_100000748629 [0,0,0,1,0,1|2,0,0]=4 3577 B13R1.97 C=C(C)CN1CC(CCC1C)CC 34a_100011219223_100000748629 [0,0,0,1,0,1|2,0,0]=4 3578 B13R1.97 C=C(F)CN1CC(CCC1C)CC 2230a_100011219223_100009893438 [0,0,0,1,0,1|2,0,0]=4 3579 B13R1.97 C=C(F)CN1CC(CCC1C)CC 269982a_100011219223_100009893438 [0,0,0,1,0,1|2,0,0]=4 3580 B13R1.97 C=C(F)CN1CC(CCC1C)CC 34a_100011219223_100009893438 [0,0,0,1,0,1|2,0,0]=4 3581 B13R1.97 CCC1CCC(N(C1)CC(=O)N)C 2230a_100011219223_100000747473 [0,0,0,1,0,1|1,0,0]=3 3582 B13R1.97 CCC1CCC(N(C1)CC(=O)N)C 269982a_100011219223_100000187820 [0,0,0,1,0,1|1,0,0]=3 3583 B13R1.97 CCC1CCC(N(C1)CC(=O)N)C 34a_100011219223_100000187820 [0,0,0,1,0,1|1,0,0]=3 3584 B13R1.97 CCC1CCC(N(C1)CC(=O)[O-])C 269982a_100011219223_100020667443 [0,0,0,1,0,1|0,0,1]=3 3585 B13R1.97 CCC1CCC(N(C1)CC(=O)[O-])C 34a_100011219223_100020667443 [0,0,0,1,0,1|0,0,1]=3 3586 B13R1.97 CCC1CCC(N(C1)CC(C)O)C 2230a_100011219223_100011218427 [0,0,0,1,0,1|1,0,1]=4 3587 B13R1.97 CCC1CCC(N(C1)CC(C)O)C 269982a_100011219223_100011218427 [0,0,0,1,0,1|1,0,1]=4 3588 B13R1.97 CCC1CCC(N(C1)CC(C)O)C 34a_100011219223_100011218427 [0,0,0,1,0,1|1,0,1]=4 3589 B13R1.97 CCC1CCC(N(C1)C[C@@H](C)O)C 2230a_100011219223_100009817552 [0,0,0,1,0,1|1,0,1]=4 3590 B13R1.97 CCC1CCC(N(C1)C[C@@H](C)O)C 269982a_100011219223_100009817552 [0,0,0,1,0,1|1,0,1]=4 3591 B13R1.97 CCC1CCC(N(C1)C[C@@H](C)O)C 34a_100011219223_100009817552 [0,0,0,1,0,1|1,0,1]=4 3592 B13R1.97 CCC1CCC(N(C1)C[N+](=O)[O-])C 269982a_100011219223_100000761209 [0,0,0,1,0,1|1,0,1]=4 3593 B13R1.97 CCC1CCC(N(C1)C[N+](=O)[O-])C 34a_100011219223_100000761209 [0,0,0,1,0,1|1,0,1]=4 3594 B13R1.158 C=C(C)CCNC1CCCCC1C 2230a_100000211402_100000730704 [0,0,0,1,0,1|2,0,0]=4 3595 B13R1.158 C=C(C)CCNC1CCCCC1C 34a_100000211402_100000730704 [0,0,0,1,0,1|2,0,0]=4 3596 B13R1.158 C=C(C)CCOC1CCCCC1C 34a_100000211207_100000730704 [0,0,0,1,0,1|2,0,0]=4 3597 B13R1.158 C=C(C)CCOC1CCCCC1C 7a_100000211207_100000730704 [0,0,0,1,0,1|2,0,0]=4 3598 B13R1.158 CC(=O)CCCN1CCCCC1C 269982a_100000211376_100011215641 [0,0,0,1,0,1|2,0,0]=4 3599 B13R1.158 CC(=O)CCCN1CCCCC1C 34a_100000211376_100000685027 [0,0,0,1,0,1|2,0,0]=4 3600 B13R1.158 CC(=O)CCOC1CCCCC1C 7a_100000211207_100000053229 [0,0,0,1,0,1|1,0,0]=3 3601 B13R1.158 CC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000053229 [0,0,0,1,0,1|2,0,0]=4 3602 B13R1.158 CC(=O)CCOC1CCCCC1F 34a_100000759926_100015423560 [0,0,0,1,0,1|2,0,0]=4 3603 B13R1.158 CC(=O)CCOC1CCCCC1O 34a_100000759926_100000038908 [0,0,0,1,0,1|2,0,0]=4 3604 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000053229 [0,0,0,1,0,1|2,0,0]=4 3605 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100000053229_100015423560 [0,0,0,1,0,1|2,0,0]=4 3606 B13R1.158 CC(=O)CCSC1CCCCC1F 62a_100015423560_100000053229 [0,0,0,1,0,1|2,0,0]=4 3607 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000038908_100000053229 [0,0,0,1,0,1|2,0,0]=4 3608 B13R1.158 CC(=O)CCSC1CCCCC1O 62a_100000053229_100000038908 [0,0,0,1,0,1|2,0,0]=4 3609 B13R1.158 CC(=O)COCC1CCCCN1C 34a_100000211253_100015186950 [0,0,0,1,0,1|2,0,0]=4 3610 B13R1.158 CC(=O)NCCC1CCCCN1C 2230a_200011221479_200000210301 [0,0,0,1,0,1|2,0,0]=4 3611 B13R1.158 CC(=O)NCCC1CCCCN1C 269982a_200011221479_200000210301 [0,0,0,1,0,1|2,0,0]=4 3612 B13R1.158 CC(=O)NCCC1CCCCN1C 34a_200011221479_200000210301 [0,0,0,1,0,1|2,0,0]=4 3613 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 2230a_200011221479_200025704644 [0,0,0,1,0,1|2,0,0]=4 3614 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 269982a_200011221479_200025704644 [0,0,0,1,0,1|2,0,0]=4 3615 B13R1.158 CC(=O)NCCC1CCCCN1[13CH3] 34a_200011221479_200025704644 [0,0,0,1,0,1|2,0,0]=4 3616 B13R1.158 CC(=O)NCCN1CCCCC1C 2230a_100000211376_100000189650 [0,0,0,1,0,1|2,0,0]=4 3617 B13R1.158 CC(=O)NCCN1CCCCC1C 240690a_100000739827_100015343762 [0,0,0,1,0,1|2,0,0]=4 3618 B13R1.158 CC(=O)NCCN1CCCCC1C 269982a_100000211376_100000189650 [0,0,0,1,0,1|2,0,0]=4 3619 B13R1.158 CC(=O)NCCN1CCCCC1C 527a_100000739827_100103153847 [0,0,0,1,0,1|2,0,0]=4 3620 B13R1.158 CC(=O)OCCN1CCCCC1C 269982a_100000211376_100009814007 [0,0,0,1,0,1|2,0,0]=4 3621 B13R1.158 CC(=O)OCCN1CCCCC1C 34a_100000211376_100009814007 [0,0,0,1,0,1|2,0,0]=4 3622 B13R1.158 CC(=O)OCNC1CCCCC1C 34a_100000211402_100009813279 [0,0,0,1,0,1|2,0,0]=4 3623 B13R1.158 CC(=O)OCOC1CCCCC1C 34a_100000211207_100009813279 [0,0,0,1,0,1|2,0,0]=4 3624 B13R1.158 CC(O)CCNC1CCCCC1C 2230a_100000211402_100012276601 [0,0,0,1,0,1|1,0,1]=4 3625 B13R1.158 CC(O)CCNC1CCCCC1C 269862a_200000755665_100000210921 [0,0,0,1,0,1|1,0,1]=4 3626 B13R1.158 CC(O)CCNC1CCCCC1C 270004a_200000755665_100000210921 [0,0,0,1,0,1|1,0,1]=4 3627 B13R1.158 CC(O)CCNC1CCCCC1C 34a_100000211402_100012276601 [0,0,0,1,0,1|1,0,1]=4 3628 B13R1.158 CC(O)CCOC1CCCCC1C 34a_100000211207_100012276601 [0,0,0,1,0,1|1,0,1]=4 3629 B13R1.158 CC(O)CCOC1CCCCC1C 7a_100000211207_100012276601 [0,0,0,1,0,1|1,0,1]=4 3630 B13R1.158 CC1CCCCC1NCCC(=O)N 2230a_100000211402_100000744528 [0,0,0,1,0,1|1,0,0]=3 3631 B13R1.158 CC1CCCCC1NCCC(=O)N 269862a_100000740010_100000210921 [0,0,0,1,0,1|1,0,0]=3 3632 B13R1.158 CC1CCCCC1NCCC(=O)N 34a_100000211402_100000731001 [0,0,0,1,0,1|1,0,0]=3 3633 B13R1.158 CC1CCCCC1OCCC(=O)N 34a_100000211207_100000731001 [0,0,0,1,0,1|1,0,0]=3 3634 B13R1.158 CC1CCCCC1OCCC(=O)N 7a_100000211207_100000744528 [0,0,0,1,0,1|1,0,0]=3 3635 B13R1.158 CC1CCCCN1CCCC(=O)N 269982a_100000211376_100102525003 [0,0,0,1,0,1|2,0,0]=4 3636 B13R1.158 CC1CCCCN1CCCC(=O)N 34a_100000211376_100102525003 [0,0,0,1,0,1|2,0,0]=4 3637 B13R1.158 CC1CCCCN1CCNC(=O)N 2230a_100000211376_200000034859 [0,0,0,1,0,1|2,0,0]=4 3638 B13R1.158 CC1CCCCN1CCNC(=O)N 269982a_100000211376_200000034859 [0,0,0,1,0,1|2,0,0]=4 3639 B13R1.158 CC1CCCCN1CCOC(=O)N 269982a_100000211376_200011214921 [0,0,0,1,0,1|2,0,0]=4 3640 B13R1.158 CC1CCCCN1CCOC(=O)N 34a_100000211376_200011214921 [0,0,0,1,0,1|2,0,0]=4 3641 B13R1.158 CC1CCNCC1OCCC(=O)N 34a_100000696640_100000731001 [0,0,0,1,0,1|2,0,0]=4 3642 B13R1.158 CC1CNCCC1OCCC(=O)N 34a_100011998114_100000731001 [0,0,0,1,0,1|2,0,0]=4 3643 B13R1.158 CN1CCCCC1CNCC(=O)N 34a_100011228421_100000187820 [0,0,0,1,0,1|2,0,0]=4 3644 B13R1.158 CN1CCCCC1CNCC(=O)O 269956a_100016091260_100015185383 [0,0,0,1,0,1|1,0,0]=3 3645 B13R1.158 CN1CCCCC1CNCC(=O)[O-] 34a_100011228421_100020667443 [0,0,0,1,0,1|1,0,1]=4 3646 B13R1.158 CN1CCCCC1COCC(=O)N 34a_100000225079_100000187820 [0,0,0,1,0,1|2,0,0]=4 3647 B13R1.158 CN1CCCCC1COCC(=O)[O-] 34a_100000225079_100020667443 [0,0,0,1,0,1|1,0,1]=4 3648 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100000747473_100015185383 [0,0,0,1,0,1|2,0,0]=4 3649 B13R1.158 CN1CCCCC1CSCC(=O)N 62a_100015185383_100000747473 [0,0,0,1,0,1|2,0,0]=4 3650 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100015185383_100020667443 [0,0,0,1,0,1|1,0,1]=4 3651 B13R1.158 CN1CCCCC1CSCC(=O)[O-] 62a_100020667443_100015185383 [0,0,0,1,0,1|1,0,1]=4 3652 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000744528 [0,0,0,1,0,1|2,0,0]=4 3653 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000731001 [0,0,0,1,0,1|2,0,0]=4 3654 B13R1.158 NC(=O)CCOC1CCCCC1Cl 34a_100000038908_100000731001 [0,0,0,1,0,1|2,0,0]=4 3655 B13R1.158 NC(=O)CCOC1CCCCC1Cl 7a_100000038908_100000744528 [0,0,0,1,0,1|2,0,0]=4 3656 B13R1.158 NC(=O)CCOC1CCCCC1F 34a_100000757172_100015423560 [0,0,0,1,0,1|2,0,0]=4 3657 B13R1.158 NC(=O)CCOC1CCCCC1O 34a_100000757172_100000038908 [0,0,0,1,0,1|2,0,0]=4 3658 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000731001 [0,0,0,1,0,1|2,0,0]=4 3659 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000744528 [0,0,0,1,0,1|2,0,0]=4 3660 B13R1.158 NC(=O)CCO[C@H]1CCCC[C@H]1N 34a_100015191688_100000731001 [0,0,0,1,0,1|2,0,0]=4 3661 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100000744528_100015423560 [0,0,0,1,0,1|2,0,0]=4 3662 B13R1.158 NC(=O)CCSC1CCCCC1F 62a_100015423560_100000744528 [0,0,0,1,0,1|2,0,0]=4 3663 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000038908_100000744528 [0,0,0,1,0,1|2,0,0]=4 3664 B13R1.158 NC(=O)CCSC1CCCCC1O 62a_100000744528_100000038908 [0,0,0,1,0,1|2,0,0]=4 3665 B13R1.158 NC(=O)CNCC1CCCCC1O 34a_100011216029_100000187820 [0,0,0,1,0,1|2,0,0]=4 3666 B13R1.158 O=C(O)CONC1CCCCC1F 269956a_100000106656_100015423560 [0,0,0,1,0,1|2,0,0]=4 3667 B13R1.158 O=C(O)CONC1CCCCC1O 269956a_100000106656_100000038908 [0,0,0,1,0,1|2,0,0]=4 3668 B13R1.158 O=C([O-])CNCC1CCCCC1O 34a_100011216029_100020667443 [0,0,0,1,0,1|1,0,1]=4 3669 B13R1.498 CCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210211 [0,0,0,1,0,1|1,0,0]=3 3670 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 2230a_100016989438_100000210211 [0,0,0,1,0,1|2,0,0]=4 3671 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C 269982a_100016989438_100000210211 [0,0,0,1,0,1|2,0,0]=4 3672 B13R1.498 CCOCN1CCC(C1)CC(=O)O 269956a_100000719201_100000739092 [0,0,0,1,0,1|2,0,0]=4 3673 B13R1.498 COCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000233755 [0,0,0,1,0,1|2,0,0]=4 3674 B13R1.498 CSCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000212216 [0,0,0,1,0,1|2,0,0]=4 3675 B13R1.498 O=C(O)CC1CCN(C1)CCCF 269956a_100000719201_100011934791 [0,0,0,1,0,1|2,0,0]=4 3676 B13R1.498 O=C(O)CC1CCN(C1)CCCO 269956a_100000719201_100011215043 [0,0,0,1,0,1|2,0,0]=4 3677 B13R1.513 C=C(Br)CCOC1CCC(CC1)C 34a_100009813270_200011216234 [0,0,0,1,0,1|2,0,0]=4 3678 B13R1.513 C=C(C)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000730704 [0,0,0,1,0,1|2,0,0]=4 3679 B13R1.513 C=C(C)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000730704 [0,0,0,1,0,1|2,0,0]=4 3680 B13R1.513 C=C(C)CCOC1CCC(CC1)C 34a_100000210714_100000730704 [0,0,0,1,0,1|2,0,0]=4 3681 B13R1.513 C=C(C)CCOC1CCC(CC1)C 34a_100000764851_200011216234 [0,0,0,1,0,1|2,0,0]=4 3682 B13R1.513 C=C(C)CCOC1CCC(CC1)C 7a_100000210714_100000730704 [0,0,0,1,0,1|2,0,0]=4 3683 B13R1.513 C=C(C)CCSC1CCC(CC1)C 62a_100000730704_200011216234 [0,0,0,1,0,1|2,0,0]=4 3684 B13R1.513 C=C(C)CNCC1CCC(CC1)C 2230a_103436935547_100000748629 [0,0,0,1,0,1|2,0,0]=4 3685 B13R1.513 C=C(C)CNCC1CCC(CC1)C 34a_103436935547_100000748629 [0,0,0,1,0,1|2,0,0]=4 3686 B13R1.513 C=C(C)COCC1CCC(CC1)C 34a_100000701341_100000748629 [0,0,0,1,0,1|2,0,0]=4 3687 B13R1.513 C=C(F)CNCC1CCC(CC1)C 2230a_103436935547_100009893438 [0,0,0,1,0,1|2,0,0]=4 3688 B13R1.513 C=C(F)CNCC1CCC(CC1)C 34a_103436935547_100009893438 [0,0,0,1,0,1|2,0,0]=4 3689 B13R1.513 C=C(F)COCC1CCC(CC1)C 34a_100000701341_100009893438 [0,0,0,1,0,1|2,0,0]=4 3690 B13R1.513 CC(=O)CCCN1CCC(CC1)C 269982a_100000188429_100011215641 [0,0,0,1,0,1|2,0,0]=4 3691 B13R1.513 CC(=O)CCCN1CCC(CC1)C 34a_100000188429_100000685027 [0,0,0,1,0,1|2,0,0]=4 3692 B13R1.513 CC(=O)CCOC1CCC(CC1)C 34a_100000759926_200011216234 [0,0,0,1,0,1|1,0,0]=3 3693 B13R1.513 CC(=O)CCOC1CCC(CC1)C 7a_100000210714_100000053229 [0,0,0,1,0,1|1,0,0]=3 3694 B13R1.513 CC(=O)CCSC1CCC(CC1)C 62a_100000053229_200011216234 [0,0,0,1,0,1|1,0,0]=3 3695 B13R1.513 CC(=O)CCSC1CCN(CC1)C 62a_100000053229_100011215917 [0,0,0,1,0,1|2,0,0]=4 3696 B13R1.513 CC(=O)NCCC1CCC(CC1)O 1626a_200011935226_100015343762 [0,0,0,1,0,1|2,0,0]=4 3697 B13R1.513 CC(=O)NCCC1CCC(CC1)O 240690a_200011935226_100015343762 [0,0,0,1,0,1|2,0,0]=4 3698 B13R1.513 CC(=O)NCCC1CCC(CC1)O 527a_200011935226_100103153847 [0,0,0,1,0,1|2,0,0]=4 3699 B13R1.513 CC(=O)NCCC1CCN(CC1)C 1626a_100000748683_100015343762 [0,0,0,1,0,1|2,0,0]=4 3700 B13R1.513 CC(=O)NCCC1CCN(CC1)C 2230a_100011370063_200000210301 [0,0,0,1,0,1|2,0,0]=4 3701 B13R1.513 CC(=O)NCCC1CCN(CC1)C 240690a_100000748683_100015343762 [0,0,0,1,0,1|2,0,0]=4 3702 B13R1.513 CC(=O)NCCC1CCN(CC1)C 269982a_100011370063_200000210301 [0,0,0,1,0,1|2,0,0]=4 3703 B13R1.513 CC(=O)NCCC1CCN(CC1)C 34a_100011370063_200000210301 [0,0,0,1,0,1|2,0,0]=4 3704 B13R1.513 CC(=O)NCCC1CCN(CC1)C 527a_100000748683_100103153847 [0,0,0,1,0,1|2,0,0]=4 3705 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 2230a_100011370063_200025704644 [0,0,0,1,0,1|2,0,0]=4 3706 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 269982a_100011370063_200025704644 [0,0,0,1,0,1|2,0,0]=4 3707 B13R1.513 CC(=O)NCCC1CCN(CC1)[13CH3] 34a_100011370063_200025704644 [0,0,0,1,0,1|2,0,0]=4 3708 B13R1.513 CC(=O)NCCN1CCC(CC1)C 2230a_100000188429_100000189650 [0,0,0,1,0,1|2,0,0]=4 3709 B13R1.513 CC(=O)NCCN1CCC(CC1)C 240690a_100000739677_100015343762 [0,0,0,1,0,1|2,0,0]=4 3710 B13R1.513 CC(=O)NCCN1CCC(CC1)C 269982a_100000188429_100000189650 [0,0,0,1,0,1|2,0,0]=4 3711 B13R1.513 CC(=O)NCCN1CCC(CC1)C 527a_100000739677_100103153847 [0,0,0,1,0,1|2,0,0]=4 3712 B13R1.513 CC(=O)OCCN1CCC(CC1)C 269982a_100000188429_100009814007 [0,0,0,1,0,1|2,0,0]=4 3713 B13R1.513 CC(=O)OCCN1CCC(CC1)C 34a_100000188429_100009814007 [0,0,0,1,0,1|2,0,0]=4 3714 B13R1.513 CC(=O)OCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100009813279 [0,0,0,1,0,1|2,0,0]=4 3715 B13R1.513 CC(=O)OCOC1CCC(CC1)C 34a_100000210714_100009813279 [0,0,0,1,0,1|2,0,0]=4 3716 B13R1.513 CC(=O)OCSC1CCC(CC1)C 62a_100000076356_200011216234 [0,0,0,1,0,1|2,0,0]=4 3717 B13R1.513 CC(O)CCNC1CCC(CC1)C 270004a_200000755665_100000185489 [0,0,0,1,0,1|1,0,1]=4 3718 B13R1.513 CC(O)CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100012276601 [0,0,0,1,0,1|1,0,1]=4 3719 B13R1.513 CC(O)CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100012276601 [0,0,0,1,0,1|1,0,1]=4 3720 B13R1.513 CC(O)CCOC1CCC(CC1)C 34a_100000210714_100012276601 [0,0,0,1,0,1|1,0,1]=4 3721 B13R1.513 CC(O)CCOC1CCC(CC1)C 7a_100000210714_100012276601 [0,0,0,1,0,1|1,0,1]=4 3722 B13R1.513 CC(O)CCSC1CCC(CC1)C 62a_100012276601_200011216234 [0,0,0,1,0,1|1,0,1]=4 3723 B13R1.513 CC(O)CNCC1CCC(CC1)C 2230a_103436935547_100011218427 [0,0,0,1,0,1|1,0,1]=4 3724 B13R1.513 CC(O)CNCC1CCC(CC1)C 34a_103436935547_100011218427 [0,0,0,1,0,1|1,0,1]=4 3725 B13R1.513 CC(O)COCC1CCC(CC1)C 34a_100000701341_100011218427 [0,0,0,1,0,1|1,0,1]=4 3726 B13R1.513 CC1CCC(CC1)CNCC(=O)N 2230a_103436935547_100000747473 [0,0,0,1,0,1|1,0,0]=3 3727 B13R1.513 CC1CCC(CC1)CNCC(=O)N 34a_103436935547_100000187820 [0,0,0,1,0,1|1,0,0]=3 3728 B13R1.513 CC1CCC(CC1)CNCC(=O)[O-] 34a_103436935547_100020667443 [0,0,0,1,0,1|0,0,1]=3 3729 B13R1.513 CC1CCC(CC1)CNC[C@@H](C)O 2230a_103436935547_100009817552 [0,0,0,1,0,1|1,0,1]=4 3730 B13R1.513 CC1CCC(CC1)CNC[C@@H](C)O 34a_103436935547_100009817552 [0,0,0,1,0,1|1,0,1]=4 3731 B13R1.513 CC1CCC(CC1)CNC[N+](=O)[O-] 34a_103436935547_100000761209 [0,0,0,1,0,1|1,0,1]=4 3732 B13R1.513 CC1CCC(CC1)COCC(=O)N 34a_100000701341_100000187820 [0,0,0,1,0,1|1,0,0]=3 3733 B13R1.513 CC1CCC(CC1)COCC(=O)[O-] 34a_100000701341_100020667443 [0,0,0,1,0,1|0,0,1]=3 3734 B13R1.513 CC1CCC(CC1)COC[C@@H](C)O 34a_100000701341_100009817552 [0,0,0,1,0,1|1,0,1]=4 3735 B13R1.513 CC1CCC(CC1)COC[N+](=O)[O-] 34a_100000701341_100000761209 [0,0,0,1,0,1|1,0,1]=4 3736 B13R1.513 CC1CCC(CC1)NOCC(=O)O 269956a_100000106656_200011216234 [0,0,0,1,0,1|1,0,0]=3 3737 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000210714_100000731001 [0,0,0,1,0,1|1,0,0]=3 3738 B13R1.513 CC1CCC(CC1)OCCC(=O)N 34a_100000757172_200011216234 [0,0,0,1,0,1|1,0,0]=3 3739 B13R1.513 CC1CCC(CC1)OCCC(=O)N 7a_100000210714_100000744528 [0,0,0,1,0,1|1,0,0]=3 3740 B13R1.513 CC1CCC(CC1)SCCC(=O)N 62a_100000744528_200011216234 [0,0,0,1,0,1|1,0,0]=3 3741 B13R1.513 CC1CCN(CC1)CCCC(=O)N 269982a_100000188429_100102525003 [0,0,0,1,0,1|2,0,0]=4 3742 B13R1.513 CC1CCN(CC1)CCCC(=O)N 34a_100000188429_100102525003 [0,0,0,1,0,1|2,0,0]=4 3743 B13R1.513 CC1CCN(CC1)CCNC(=O)N 2230a_100000188429_200000034859 [0,0,0,1,0,1|2,0,0]=4 3744 B13R1.513 CC1CCN(CC1)CCNC(=O)N 269982a_100000188429_200000034859 [0,0,0,1,0,1|2,0,0]=4 3745 B13R1.513 CC1CCN(CC1)CCOC(=O)N 269982a_100000188429_200011214921 [0,0,0,1,0,1|2,0,0]=4 3746 B13R1.513 CC1CCN(CC1)CCOC(=O)N 34a_100000188429_200011214921 [0,0,0,1,0,1|2,0,0]=4 3747 B13R1.513 CN1CCC(CC1)CNCC(=O)O 269956a_100016091260_100015183002 [0,0,0,1,0,1|1,0,0]=3 3748 B13R1.513 CN1CCC(CC1)CSCC(=O)N 62a_100000747473_100015183002 [0,0,0,1,0,1|2,0,0]=4 3749 B13R1.513 CN1CCC(CC1)CSCC(=O)N 62a_100015183002_100000747473 [0,0,0,1,0,1|2,0,0]=4 3750 B13R1.513 CN1CCC(CC1)CSCC(=O)[O-] 62a_100015183002_100020667443 [0,0,0,1,0,1|1,0,1]=4 3751 B13R1.513 CN1CCC(CC1)CSCC(=O)[O-] 62a_100020667443_100015183002 [0,0,0,1,0,1|1,0,1]=4 3752 B13R1.513 CN1CCC(CC1)NOCC(=O)O 269956a_100000106656_100011215917 [0,0,0,1,0,1|2,0,0]=4 3753 B13R1.513 CN1CCC(CC1)SCCC(=O)N 62a_100000744528_100011215917 [0,0,0,1,0,1|2,0,0]=4 3754 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 2230a_100020625639_100000744528 [0,0,0,1,0,1|1,0,0]=3 3755 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N 34a_100020625639_100000731001 [0,0,0,1,0,1|1,0,0]=3 3756 B13R1.513 NC(=O)CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000731001 [0,0,0,1,0,1|2,0,0]=4 3757 B13R1.513 NC(=O)COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100000187820 [0,0,0,1,0,1|2,0,0]=4 3758 B13R1.513 N[C@H]1CC[C@@H](CC1)COCC(=O)[O-] 34a_100009821084_100020667443 [0,0,0,1,0,1|1,0,1]=4 3759 B13R1.1197 CCCCC(CC)CNCC1CO1 2230a_100000209976_100011216344 [0,0,0,1,0,1|1,0,1]=4 3760 B13R1.1197 CCCCC(CC)COCC1CO1 34a_100000210273_102125554688 [0,0,0,1,0,1|1,0,1]=4 3761 B13R1.1197 CCCCC(CC)COCC1CO1 7a_100000210273_102125554688 [0,0,0,1,0,1|1,0,1]=4 3762 B13R1.1197 CCCCC(CC)COC[C@@H]1CO1 34a_100000757423_100000211942 [0,0,0,1,0,1|1,0,1]=4 3763 B13R1.1197 CCCCC(CC)COC[C@@H]1CO1 7a_100000210273_100000745022 [0,0,0,1,0,1|1,0,1]=4 3764 B13R1.1197 CCCCC(CC)CSCC1CO1 62a_100000211942_102125554688 [0,0,0,1,0,1|1,0,1]=4 3765 B13R1.1197 CCCCC(CC)CSCC1CO1 62a_102125554688_100000211942 [0,0,0,1,0,1|1,0,1]=4 3766 B13R1.1197 CCCCC(CC)CSC[C@@H]1CO1 62a_100000211942_100000745022 [0,0,0,1,0,1|1,0,1]=4 3767 B13R1.1197 CCCCC(CC)CSC[C@@H]1CO1 62a_100000745022_100000211942 [0,0,0,1,0,1|1,0,1]=4 3768 B13R1.1197 CCCCC(CC)OCCC1CO1 34a_100011215227_100000732470 [0,0,0,1,0,1|1,0,1]=4 3769 B13R1.1197 CCCCC(CC)OCCC1CO1 7a_100011215227_100000732470 [0,0,0,1,0,1|1,0,1]=4 3770 B13R1.1197 CCCCC(CC)OCC[C@@H]1CO1 34a_100009820653_200011216223 [0,0,0,1,0,1|1,0,1]=4 3771 B13R1.1197 CCCCC(CC)SCCC1CO1 62a_100000732470_200011216223 [0,0,0,1,0,1|1,0,1]=4 3772 B13R1.1197 CCCCC(CC)SCCC1CO1 62a_200011216223_100000732470 [0,0,0,1,0,1|1,0,1]=4 3773 B13R1.1949 COCCC1(CC1)NCCC(=O)N 2230a_100020603293_100000744528 [0,0,0,1,0,1|2,0,0]=4 3774 B13R1.1949 COCCC1(CC1)NCCC(=O)N 34a_100020603293_100000731001 [0,0,0,1,0,1|2,0,0]=4 3775 B13R1.1988 C=C(Br)CCOC1CCCCCC1 34a_100009813270_100011217769 [0,0,0,1,0,1|2,0,0]=4 3776 B13R1.1988 C=C(C)CCNC1CCCCCC1 2230a_100000210984_100000730704 [0,0,0,1,0,1|2,0,0]=4 3777 B13R1.1988 C=C(C)CCNC1CCCCCC1 34a_100000210984_100000730704 [0,0,0,1,0,1|2,0,0]=4 3778 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000210887_100000730704 [0,0,0,1,0,1|2,0,0]=4 3779 B13R1.1988 C=C(C)CCOC1CCCCCC1 34a_100000764851_100011217769 [0,0,0,1,0,1|2,0,0]=4 3780 B13R1.1988 C=C(C)CCOC1CCCCCC1 7a_100000210887_100000730704 [0,0,0,1,0,1|2,0,0]=4 3781 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100000730704_100011217769 [0,0,0,1,0,1|2,0,0]=4 3782 B13R1.1988 C=C(C)CCSC1CCCCCC1 62a_100011217769_100000730704 [0,0,0,1,0,1|2,0,0]=4 3783 B13R1.1988 C=C(C)CNCC1CCCCCC1 2230a_100015204231_100000748629 [0,0,0,1,0,1|2,0,0]=4 3784 B13R1.1988 C=C(C)CNCC1CCCCCC1 34a_100015204231_100000748629 [0,0,0,1,0,1|2,0,0]=4 3785 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000210245_200000696569 [0,0,0,1,0,1|2,0,0]=4 3786 B13R1.1988 C=C(C)COCC1CCCCCC1 34a_100000699130_100000748629 [0,0,0,1,0,1|2,0,0]=4 3787 B13R1.1988 C=C(C)COCC1CCCCCC1 7a_100000699130_100000748629 [0,0,0,1,0,1|2,0,0]=4 3788 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_100000748629_200000696569 [0,0,0,1,0,1|2,0,0]=4 3789 B13R1.1988 C=C(C)CSCC1CCCCCC1 62a_200000696569_100000211660 [0,0,0,1,0,1|2,0,0]=4 3790 B13R1.1988 C=C(F)CNCC1CCCCCC1 2230a_100015204231_100009893438 [0,0,0,1,0,1|2,0,0]=4 3791 B13R1.1988 C=C(F)CNCC1CCCCCC1 34a_100015204231_100009893438 [0,0,0,1,0,1|2,0,0]=4 3792 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_100000699130_100009893438 [0,0,0,1,0,1|2,0,0]=4 3793 B13R1.1988 C=C(F)COCC1CCCCCC1 34a_200010262243_200000696569 [0,0,0,1,0,1|2,0,0]=4 3794 B13R1.1988 C=C(F)COCC1CCCCCC1 7a_100000699130_100000042424 [0,0,0,1,0,1|2,0,0]=4 3795 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_100000042424_200000696569 [0,0,0,1,0,1|2,0,0]=4 3796 B13R1.1988 C=C(F)CSCC1CCCCCC1 62a_200000696569_100000042424 [0,0,0,1,0,1|2,0,0]=4 3797 B13R1.1988 CC(=O)CCCN1CCCCCC1 269982a_100000185865_100011215641 [0,0,0,1,0,1|2,0,0]=4 3798 B13R1.1988 CC(=O)CCCN1CCCCCC1 34a_100000185865_100000685027 [0,0,0,1,0,1|2,0,0]=4 3799 B13R1.1988 CC(=O)CCOC1CCCCCC1 34a_100000759926_100011217769 [0,0,0,1,0,1|1,0,0]=3 3800 B13R1.1988 CC(=O)CCOC1CCCCCC1 7a_100000210887_100000053229 [0,0,0,1,0,1|1,0,0]=3 3801 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100000053229_100011217769 [0,0,0,1,0,1|1,0,0]=3 3802 B13R1.1988 CC(=O)CCSC1CCCCCC1 62a_100011217769_100000053229 [0,0,0,1,0,1|1,0,0]=3 3803 B13R1.1988 CC(=O)COCC1CCCCCC1 34a_100000211253_200000696569 [0,0,0,1,0,1|1,0,0]=3 3804 B13R1.1988 CC(=O)NCCC1CCCCCC1 11a_100011532351_100015343762 [0,0,0,1,0,1|1,0,0]=3 3805 B13R1.1988 CC(=O)NCCC1CCCCCC1 1626a_100011532351_100015343762 [0,0,0,1,0,1|1,0,0]=3 3806 B13R1.1988 CC(=O)NCCC1CCCCCC1 240690a_100011532351_100015343762 [0,0,0,1,0,1|1,0,0]=3 3807 B13R1.1988 CC(=O)NCCC1CCCCCC1 527a_100011532351_100103153847 [0,0,0,1,0,1|1,0,0]=3 3808 B13R1.1988 CC(=O)NCCN1CCCCCC1 11a_100000738142_100015343762 [0,0,0,1,0,1|2,0,0]=4 3809 B13R1.1988 CC(=O)NCCN1CCCCCC1 2230a_100000185865_100000189650 [0,0,0,1,0,1|2,0,0]=4 3810 B13R1.1988 CC(=O)NCCN1CCCCCC1 240690a_100000738142_100015343762 [0,0,0,1,0,1|2,0,0]=4 3811 B13R1.1988 CC(=O)NCCN1CCCCCC1 269982a_100000185865_100000189650 [0,0,0,1,0,1|2,0,0]=4 3812 B13R1.1988 CC(=O)NCCN1CCCCCC1 527a_100000738142_100103153847 [0,0,0,1,0,1|2,0,0]=4 3813 B13R1.1988 CC(=O)OCCN1CCCCCC1 269982a_100000185865_100009814007 [0,0,0,1,0,1|2,0,0]=4 3814 B13R1.1988 CC(=O)OCCN1CCCCCC1 34a_100000185865_100009814007 [0,0,0,1,0,1|2,0,0]=4 3815 B13R1.1988 CC(=O)OCNC1CCCCCC1 34a_100000210984_100009813279 [0,0,0,1,0,1|2,0,0]=4 3816 B13R1.1988 CC(=O)OCOC1CCCCCC1 34a_100000210887_100009813279 [0,0,0,1,0,1|2,0,0]=4 3817 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100000076356_100011217769 [0,0,0,1,0,1|2,0,0]=4 3818 B13R1.1988 CC(=O)OCSC1CCCCCC1 62a_100011217769_100000076356 [0,0,0,1,0,1|2,0,0]=4 3819 B13R1.1988 CC(O)CCNC1CCCCCC1 2230a_100000210984_100012276601 [0,0,0,1,0,1|1,0,1]=4 3820 B13R1.1988 CC(O)CCNC1CCCCCC1 270004a_200000755665_100000210131 [0,0,0,1,0,1|1,0,1]=4 3821 B13R1.1988 CC(O)CCNC1CCCCCC1 34a_100000210984_100012276601 [0,0,0,1,0,1|1,0,1]=4 3822 B13R1.1988 CC(O)CCOC1CCCCCC1 34a_100000210887_100012276601 [0,0,0,1,0,1|1,0,1]=4 3823 B13R1.1988 CC(O)CCOC1CCCCCC1 7a_100000210887_100012276601 [0,0,0,1,0,1|1,0,1]=4 3824 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100011217769_100012276601 [0,0,0,1,0,1|1,0,1]=4 3825 B13R1.1988 CC(O)CCSC1CCCCCC1 62a_100012276601_100011217769 [0,0,0,1,0,1|1,0,1]=4 3826 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100000210904_200000696569 [0,0,0,1,0,1|1,0,1]=4 3827 B13R1.1988 CC(O)CNCC1CCCCCC1 2230a_100015204231_100011218427 [0,0,0,1,0,1|1,0,1]=4 3828 B13R1.1988 CC(O)CNCC1CCCCCC1 269862a_100000210904_200000763224 [0,0,0,1,0,1|1,0,1]=4 3829 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100000210904_200000696569 [0,0,0,1,0,1|1,0,1]=4 3830 B13R1.1988 CC(O)CNCC1CCCCCC1 34a_100015204231_100011218427 [0,0,0,1,0,1|1,0,1]=4 3831 B13R1.1988 CC(O)COCC1CCCCCC1 34a_100000699130_100011218427 [0,0,0,1,0,1|1,0,1]=4 3832 B13R1.1988 CC(O)COCC1CCCCCC1 7a_100000699130_100011218427 [0,0,0,1,0,1|1,0,1]=4 3833 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_100011218427_200000696569 [0,0,0,1,0,1|1,0,1]=4 3834 B13R1.1988 CC(O)CSCC1CCCCCC1 62a_200000696569_100011218427 [0,0,0,1,0,1|1,0,1]=4 3835 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 2230a_100015204231_100009817552 [0,0,0,1,0,1|1,0,1]=4 3836 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 34a_100015204231_100009817552 [0,0,0,1,0,1|1,0,1]=4 3837 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 34a_100000699130_100009817552 [0,0,0,1,0,1|1,0,1]=4 3838 B13R1.1988 C[C@@H](O)COCC1CCCCCC1 7a_100000699130_100009817552 [0,0,0,1,0,1|1,0,1]=4 3839 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_100009817552_200000696569 [0,0,0,1,0,1|1,0,1]=4 3840 B13R1.1988 C[C@@H](O)CSCC1CCCCCC1 62a_200000696569_100009817552 [0,0,0,1,0,1|1,0,1]=4 3841 B13R1.1988 NC(=O)CCCN1CCCCCC1 269982a_100000185865_100102525003 [0,0,0,1,0,1|2,0,0]=4 3842 B13R1.1988 NC(=O)CCCN1CCCCCC1 34a_100000185865_100102525003 [0,0,0,1,0,1|2,0,0]=4 3843 B13R1.1988 NC(=O)CCNC1CCCCCC1 2230a_100000210984_100000744528 [0,0,0,1,0,1|1,0,0]=3 3844 B13R1.1988 NC(=O)CCNC1CCCCCC1 34a_100000210984_100000731001 [0,0,0,1,0,1|1,0,0]=3 3845 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000210887_100000731001 [0,0,0,1,0,1|1,0,0]=3 3846 B13R1.1988 NC(=O)CCOC1CCCCCC1 34a_100000757172_100011217769 [0,0,0,1,0,1|1,0,0]=3 3847 B13R1.1988 NC(=O)CCOC1CCCCCC1 7a_100000210887_100000744528 [0,0,0,1,0,1|1,0,0]=3 3848 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100000744528_100011217769 [0,0,0,1,0,1|1,0,0]=3 3849 B13R1.1988 NC(=O)CCSC1CCCCCC1 62a_100011217769_100000744528 [0,0,0,1,0,1|1,0,0]=3 3850 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100000711301_200000696569 [0,0,0,1,0,1|1,0,0]=3 3851 B13R1.1988 NC(=O)CNCC1CCCCCC1 2230a_100015204231_100000747473 [0,0,0,1,0,1|1,0,0]=3 3852 B13R1.1988 NC(=O)CNCC1CCCCCC1 34a_100015204231_100000187820 [0,0,0,1,0,1|1,0,0]=3 3853 B13R1.1988 NC(=O)COCC1CCCCCC1 34a_100000699130_100000187820 [0,0,0,1,0,1|1,0,0]=3 3854 B13R1.1988 NC(=O)COCC1CCCCCC1 7a_100000699130_100000187820 [0,0,0,1,0,1|1,0,0]=3 3855 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_100000747473_200000696569 [0,0,0,1,0,1|1,0,0]=3 3856 B13R1.1988 NC(=O)CSCC1CCCCCC1 62a_200000696569_100000747473 [0,0,0,1,0,1|1,0,0]=3 3857 B13R1.1988 NC(=O)NCCN1CCCCCC1 2230a_100000185865_200000034859 [0,0,0,1,0,1|2,0,0]=4 3858 B13R1.1988 NC(=O)NCCN1CCCCCC1 269982a_100000185865_200000034859 [0,0,0,1,0,1|2,0,0]=4 3859 B13R1.1988 NC(=O)OCCN1CCCCCC1 269982a_100000185865_200011214921 [0,0,0,1,0,1|2,0,0]=4 3860 B13R1.1988 NC(=O)OCCN1CCCCCC1 34a_100000185865_200011214921 [0,0,0,1,0,1|2,0,0]=4 3861 B13R1.1988 O=C(O)CNCC1CCCCCC1 269956a_100016091260_200000696569 [0,0,0,1,0,1|0,0,0]=2 3862 B13R1.1988 O=C(O)CONC1CCCCCC1 269956a_100000106656_100011217769 [0,0,0,1,0,1|1,0,0]=3 3863 B13R1.1988 O=C([O-])CNCC1CCCCCC1 34a_100015204231_100020667443 [0,0,0,1,0,1|0,0,1]=3 3864 B13R1.1988 O=C([O-])COCC1CCCCCC1 34a_100000699130_100020667443 [0,0,0,1,0,1|0,0,1]=3 3865 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_100020667443_200000696569 [0,0,0,1,0,1|0,0,1]=3 3866 B13R1.1988 O=C([O-])CSCC1CCCCCC1 62a_200000696569_100020667443 [0,0,0,1,0,1|0,0,1]=3 3867 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 34a_100015204231_100000761209 [0,0,0,1,0,1|1,0,1]=4 3868 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 34a_100000699130_100000761209 [0,0,0,1,0,1|1,0,1]=4 3869 B13R1.1988 O=[N+]([O-])CSCC1CCCCCC1 62a_200000696569_100000761209 [0,0,0,1,0,1|1,0,1]=4 3870 B13R1.2795 C=C1CC(C1)NC(CC)CCCC 270004a_100132301982_100000753412 [0,0,0,1,0,1|2,0,0]=4 3871 B13R1.2795 CCCCC(CC)CN1CC(C1)O 269982a_100000749847_100000211942 [0,0,0,1,0,1|1,0,1]=4 3872 B13R1.2795 CCCCC(CC)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000753412 [0,0,0,1,0,1|1,0,1]=4 3873 B13R1.2795 CCCCC(CC)SC1CC(=O)C1 62a_100009894365_200011216223 [0,0,0,1,0,1|1,0,0]=3 3874 B13R1.2795 CCCCN(CC)CC1CC(=O)C1 2230a_100000207695_100009874392 [0,0,0,1,0,1|2,0,0]=4 3875 B13R1.2795 CCCCN(CC)CC1CC(=O)C1 269982a_100000207695_100009874392 [0,0,0,1,0,1|2,0,0]=4 3876 B13R1.3900 CCC1SCC(N1CCF)C(=O)O 269956a_200025741920_100011217306 [0,0,0,1,0,1|2,0,0]=4 3877 B13R1.3900 CCC1SCC(N1CCO)C(=O)O 269956a_200025741920_100000211926 [0,0,0,1,0,1|2,0,0]=4 3878 B13R1.3900 CCC1SCC(N1COC)C(=O)O 269956a_200025741920_100000766300 [0,0,0,1,0,1|2,0,0]=4 3879 B13R1.3900 CCC1SCC(N1CSC)C(=O)O 269956a_200025741920_100011218213 [0,0,0,1,0,1|2,0,0]=4 3880 B13R1.3900 CCCN1C(SCC1C(=O)O)CC 269956a_200025741920_100000210207 [0,0,0,1,0,1|1,0,0]=3 3881 B13R1.5751 CCN(CCCC(=O)C)C1CCC1 269982a_100000758130_100011215641 [0,0,0,1,0,1|2,0,0]=4 3882 B13R1.5751 CCN(CCCC(=O)N)C1CCC1 269982a_100000758130_100102525003 [0,0,0,1,0,1|2,0,0]=4 3883 B13R1.5751 CCN(CCNC(=O)C)C1CCC1 2230a_100000758130_100000189650 [0,0,0,1,0,1|2,0,0]=4 3884 B13R1.5751 CCN(CCNC(=O)C)C1CCC1 269982a_100000758130_100000189650 [0,0,0,1,0,1|2,0,0]=4 3885 B13R1.5751 CCN(CCNC(=O)N)C1CCC1 2230a_100000758130_200000034859 [0,0,0,1,0,1|2,0,0]=4 3886 B13R1.5751 CCN(CCNC(=O)N)C1CCC1 269982a_100000758130_200000034859 [0,0,0,1,0,1|2,0,0]=4 3887 B13R1.5751 CCN(CCOC(=O)C)C1CCC1 269982a_100000758130_100009814007 [0,0,0,1,0,1|2,0,0]=4 3888 B13R1.5751 CCN(CCOC(=O)N)C1CCC1 269982a_100000758130_200011214921 [0,0,0,1,0,1|2,0,0]=4 3889 B13R1.5997 C=C(C)CCNC1(CCCC1)CC 2230a_100015183760_100000730704 [0,0,0,1,0,1|2,0,0]=4 3890 B13R1.5997 C=C(C)CCOC1(CCCC1)CC 7a_100000752416_100000730704 [0,0,0,1,0,1|2,0,0]=4 3891 B13R1.5997 CCC1(CCCC1)NCCC(=O)N 2230a_100015183760_100000744528 [0,0,0,1,0,1|1,0,0]=3 3892 B13R1.5997 CCC1(CCCC1)NCCC(C)O 2230a_100015183760_100012276601 [0,0,0,1,0,1|1,0,1]=4 3893 B13R1.5997 CCC1(CCCC1)OCCC(=O)C 7a_100000752416_100000053229 [0,0,0,1,0,1|1,0,0]=3 3894 B13R1.5997 CCC1(CCCC1)OCCC(=O)N 7a_100000752416_100000744528 [0,0,0,1,0,1|1,0,0]=3 3895 B13R1.5997 CCC1(CCCC1)OCCC(C)O 7a_100000752416_100012276601 [0,0,0,1,0,1|1,0,1]=4 3896 B13R1.5997 NC(=O)CCNC1(CCCC1)CO 2230a_100000749328_100000744528 [0,0,0,1,0,1|2,0,0]=4 3897 B13R1.5997 NC(=O)CCNC1(CCCC1)CO 34a_100000749328_100000731001 [0,0,0,1,0,1|2,0,0]=4 3898 B13R1.5997 NC(=O)CNCC1(CCCC1)CO 2230a_100000699429_100000747473 [0,0,0,1,0,1|2,0,0]=4 3899 B13R1.5997 NC(=O)CNCC1(CCCC1)CO 34a_100000699429_100000187820 [0,0,0,1,0,1|2,0,0]=4 3900 B13R1.5997 NCC1(CCCC1)COCC(=O)N 34a_100000699429_100000187820 [0,0,0,1,0,1|2,0,0]=4 3901 B13R1.5997 NCC1(CCCC1)COCC(=O)[O-] 34a_100000699429_100020667443 [0,0,0,1,0,1|1,0,1]=4 3902 B13R1.5997 NCC1(CCCC1)OCCC(=O)N 34a_100000737848_100000731001 [0,0,0,1,0,1|2,0,0]=4 3903 B13R1.5997 O=C([O-])CNCC1(CCCC1)CO 34a_100000699429_100020667443 [0,0,0,1,0,1|1,0,1]=4 3904 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,1,0,1,0,0|2,0,0]=4 3905 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,1,0,1,0,0|2,0,0]=4 3906 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,1,0,1,0,0|2,0,0]=4 3907 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,1,0,1,0,0|1,0,1]=4 3908 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,1,0,1,0,0|1,0,1]=4 3909 B13R1.380 CCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210303 [0,1,0,1,0,0|2,0,0]=4 3910 B13R1.380 CCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210303 [0,1,0,1,0,0|2,0,0]=4 3911 B13R1.380 CCCN1CCCCC1CC(=O)N 34a_100015184752_100000210303 [0,1,0,1,0,0|2,0,0]=4 3912 B13R1.380 COCC1CCCCN1CC(=O)N 2230a_100015184032_100000747473 [0,1,0,1,0,0|2,0,0]=4 3913 B13R1.380 COCC1CCCCN1CC(=O)N 269982a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 3914 B13R1.380 COCC1CCCCN1CC(=O)N 34a_100015184032_100000187820 [0,1,0,1,0,0|2,0,0]=4 3915 B13R1.380 COCC1CCCCN1CC(=O)[O-] 269982a_100015184032_100020667443 [0,1,0,1,0,0|1,0,1]=4 3916 B13R1.380 COCC1CCCCN1CC(=O)[O-] 34a_100015184032_100020667443 [0,1,0,1,0,0|1,0,1]=4 3917 B13R1.380 COCN1CCCCC1CC(=O)N 2230a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 3918 B13R1.380 COCN1CCCCC1CC(=O)N 269982a_100015184752_100000766300 [0,1,0,1,0,0|2,0,0]=4 3919 B13R1.380 CSCN1CCCCC1CC(=O)N 2230a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 3920 B13R1.380 CSCN1CCCCC1CC(=O)N 269982a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 3921 B13R1.380 CSCN1CCCCC1CC(=O)N 34a_100015184752_100011218213 [0,1,0,1,0,0|2,0,0]=4 3922 B13R1.380 NC(=O)CC1CCCCN1CCF 2230a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 3923 B13R1.380 NC(=O)CC1CCCCN1CCF 269982a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 3924 B13R1.380 NC(=O)CC1CCCCN1CCF 34a_100015184752_100011217306 [0,1,0,1,0,0|2,0,0]=4 3925 B13R1.380 NC(=O)CC1CCCCN1CCO 2230a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 3926 B13R1.380 NC(=O)CC1CCCCN1CCO 269982a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 3927 B13R1.380 NC(=O)CC1CCCCN1CCO 34a_100015184752_100000211926 [0,1,0,1,0,0|2,0,0]=4 3928 B13R1.380 NC(=O)CN1CCCCC1CCO 2230a_100000211664_100000747473 [0,1,0,1,0,0|2,0,0]=4 3929 B13R1.380 NC(=O)CN1CCCCC1CCO 269982a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 3930 B13R1.380 NC(=O)CN1CCCCC1CCO 34a_100000211664_100000187820 [0,1,0,1,0,0|2,0,0]=4 3931 B13R1.380 O=C([O-])CN1CCCCC1CCO 269982a_100000211664_100020667443 [0,1,0,1,0,0|1,0,1]=4 3932 B13R1.380 O=C([O-])CN1CCCCC1CCO 34a_100000211664_100020667443 [0,1,0,1,0,0|1,0,1]=4 3933 B13R1.511 CC(=O)CCN1CCC(C(C1)O)C 269982a_100000696640_100000053229 [0,1,0,1,0,0|2,0,0]=4 3934 B13R1.511 CC1CCC(CC1C)OCC(=O)N 34a_100011215933_100000187820 [0,1,0,1,0,0|2,0,0]=4 3935 B13R1.511 CC1CCC(CC1C)OCC(=O)N 7a_100011215933_100000187820 [0,1,0,1,0,0|2,0,0]=4 3936 B13R1.511 CC1CCC(CC1C)OCC(=O)[O-] 34a_100011215933_100020667443 [0,1,0,1,0,0|1,0,1]=4 3937 B13R1.511 CC1CCN(CC1O)CCC(=O)N 2230a_100000696640_100000744528 [0,1,0,1,0,0|2,0,0]=4 3938 B13R1.511 CC1CCN(CC1O)CCC(=O)N 269982a_100000696640_100000744528 [0,1,0,1,0,0|2,0,0]=4 3939 B13R1.568 CCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210211 [0,1,0,1,0,0|2,0,0]=4 3940 B13R1.568 CCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210211 [0,1,0,1,0,0|2,0,0]=4 3941 B13R1.568 CCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210210 [0,1,0,1,0,0|2,0,0]=4 3942 B13R1.568 CCCCN1CCOC(C1)C(=O)N 2230a_100000748043_100000210211 [0,1,0,1,0,0|2,0,0]=4 3943 B13R1.568 CCCCN1CCOC(C1)C(=O)N 34a_100000748043_100000210210 [0,1,0,1,0,0|2,0,0]=4 3944 B13R1.568 CCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210303 [0,1,0,1,0,0|2,0,0]=4 3945 B13R1.568 CCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210303 [0,1,0,1,0,0|2,0,0]=4 3946 B13R1.568 CCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210207 [0,1,0,1,0,0|1,0,0]=3 3947 B13R1.568 COCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000766300 [0,1,0,1,0,0|2,0,0]=4 3948 B13R1.568 CSCNC1CCCC(C1)C(=O)O 269956a_100011216634_100011218213 [0,1,0,1,0,0|2,0,0]=4 3949 B13R1.568 O=C(O)C1CCCC(C1)NCCF 269956a_100011216634_100011217306 [0,1,0,1,0,0|2,0,0]=4 3950 B13R1.568 O=C(O)C1CCCC(C1)NCCO 269956a_100011216634_100000211926 [0,1,0,1,0,0|2,0,0]=4 3951 B13R1.643 CCC1CCCC(C1)OCC(=O)N 7a_100011985506_100000187820 [0,1,0,1,0,0|2,0,0]=4 3952 B13R1.643 CCC1CN(CCO1)CCC(=O)C 269982a_100000736320_100000053229 [0,1,0,1,0,0|2,0,0]=4 3953 B13R1.643 CCC1CN(CCO1)CCC(=O)N 2230a_100000736320_100000744528 [0,1,0,1,0,0|2,0,0]=4 3954 B13R1.643 CCC1CN(CCO1)CCC(=O)N 269982a_100000736320_100000744528 [0,1,0,1,0,0|2,0,0]=4 3955 B13R1.643 CCC1CN(CCO1)CCC(=O)N 34a_100000736320_100000731001 [0,1,0,1,0,0|2,0,0]=4 3956 B13R1.643 CCN1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210202 [0,1,0,1,0,0|2,0,0]=4 3957 B13R1.643 CCN1CCCC(C1)CCC(=O)N 269982a_100011533967_100000204670 [0,1,0,1,0,0|2,0,0]=4 3958 B13R1.643 CCN1CCCC(C1)CCC(=O)N 34a_100011533967_100000210202 [0,1,0,1,0,0|2,0,0]=4 3959 B13R1.1022 CC(=O)CCN1CCCCCCC1 1458a_200015187237_200000210301 [0,1,0,1,0,0|2,0,0]=4 3960 B13R1.1022 CC(=O)CCN1CCCCCCC1 269982a_100000211400_100000053229 [0,1,0,1,0,0|2,0,0]=4 3961 B13R1.1022 NC(=O)CCN1CCCCCCC1 2230a_100000211400_100000744528 [0,1,0,1,0,0|2,0,0]=4 3962 B13R1.1022 NC(=O)CCN1CCCCCCC1 269982a_100000211400_100000744528 [0,1,0,1,0,0|2,0,0]=4 3963 B13R1.1022 NC(=O)CCN1CCCCCCC1 34a_100000211400_100000731001 [0,1,0,1,0,0|2,0,0]=4 3964 B13R1.1022 NC(=O)CNC1CCCCCCC1 2230a_100000211152_100000747473 [0,1,0,1,0,0|2,0,0]=4 3965 B13R1.1022 NC(=O)CNC1CCCCCCC1 34a_100000211152_100000187820 [0,1,0,1,0,0|2,0,0]=4 3966 B13R1.1022 NC(=O)COC1CCCCCCC1 34a_100000210054_100000187820 [0,1,0,1,0,0|2,0,0]=4 3967 B13R1.1022 NC(=O)COC1CCCCCCC1 7a_100000210054_100000187820 [0,1,0,1,0,0|2,0,0]=4 3968 B13R1.1022 O=C(O)CNC1CC/C=C\CCC1 269956a_100016091260_100021000466 [0,1,0,1,0,0|1,0,1]=4 3969 B13R1.1022 O=C([O-])CNC1CCCCCCC1 34a_100000211152_100020667443 [0,1,0,1,0,0|1,0,1]=4 3970 B13R1.1022 O=C([O-])COC1CCCCCCC1 34a_100000210054_100020667443 [0,1,0,1,0,0|1,0,1]=4 3971 B13R1.1022 [13CH3]C(=O)CCN1CCCCCCC1 1458a_200015187237_200025704644 [0,1,0,1,0,0|2,0,0]=4 3972 B13R1.2605 CCCN(CCC(=O)C)CC1CC1 269982a_100000210729_100000053229 [0,1,0,1,0,0|2,0,0]=4 3973 B13R1.2605 CCCN(CCC(=O)N)CC1CC1 2230a_100000210729_100000744528 [0,1,0,1,0,0|2,0,0]=4 3974 B13R1.2605 CCCN(CCC(=O)N)CC1CC1 269982a_100000210729_100000744528 [0,1,0,1,0,0|2,0,0]=4 3975 B13R1.2605 CCCN(CCC(=O)N)CC1CC1 34a_100000210729_100000731001 [0,1,0,1,0,0|2,0,0]=4 3976 B13R1.3501 CC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000053229 [0,1,0,1,0,0|2,0,0]=4 3977 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 2230a_100025706797_100000744528 [0,1,0,1,0,0|2,0,0]=4 3978 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 269982a_100025706797_100000744528 [0,1,0,1,0,0|2,0,0]=4 3979 B13R1.3589 CCCCN(CCC)C1CC(=O)C1 269982a_200000207744_100009894365 [0,1,0,1,0,0|2,0,0]=4 3980 B13R1.3589 CCCCN(CCO)C1CC(=O)C1 269982a_100000198060_100009894365 [0,1,0,1,0,0|2,0,0]=4 3981 B13R1.3796 CC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000053229 [0,1,0,1,0,0|2,0,0]=4 3982 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000053229 [0,1,0,1,0,0|2,0,0]=4 3983 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 1458a_200000176891_200000210301 [0,1,0,1,0,0|2,0,0]=4 3984 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 269982a_100000211313_100000053229 [0,1,0,1,0,0|2,0,0]=4 3985 B13R1.3796 CC(C)CCN1CCNC(=O)CC1 2230a_100000698595_100000210312 [0,1,0,1,0,0|2,0,0]=4 3986 B13R1.3796 CC(C)CCN1CCNC(=O)CC1 269982a_100000698595_100000210312 [0,1,0,1,0,0|2,0,0]=4 3987 B13R1.3796 CC(O)CCN1CCNC(=O)CC1 2230a_100000698595_100012276601 [0,1,0,1,0,0|2,0,0]=4 3988 B13R1.3796 CC(O)CCN1CCNC(=O)CC1 269982a_100000698595_100012276601 [0,1,0,1,0,0|2,0,0]=4 3989 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 2230a_100025706717_100000744528 [0,1,0,1,0,0|2,0,0]=4 3990 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 269982a_100025706717_100000744528 [0,1,0,1,0,0|2,0,0]=4 3991 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 34a_100025706717_100000731001 [0,1,0,1,0,0|2,0,0]=4 3992 B13R1.3796 CN1CCCN(CC1)CCC(=O)N 2230a_100000211313_100000744528 [0,1,0,1,0,0|2,0,0]=4 3993 B13R1.3796 CN1CCCN(CC1)CCC(=O)N 269982a_100000211313_100000744528 [0,1,0,1,0,0|2,0,0]=4 3994 B13R1.3796 CN1CCCN(CC1)CCC(=O)[13CH3] 1458a_200000176891_200025704644 [0,1,0,1,0,0|2,0,0]=4 3995 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100000744528 [0,1,0,1,0,0|2,0,0]=4 3996 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000744528 [0,1,0,1,0,0|2,0,0]=4 3997 B13R1.7308 CCCC1(CCCC1)OCC(=O)N 34a_200011216196_100000187820 [0,1,0,1,0,0|2,0,0]=4 3998 B13R1.7308 CCCC1(CCCC1)OCC(=O)N 7a_200011216196_100000187820 [0,1,0,1,0,0|2,0,0]=4 3999 B13R1.7308 CCCC1(CCCC1)OCC(=O)[O-] 34a_200011216196_100020667443 [0,1,0,1,0,0|1,0,1]=4 4000 B13R1.7308 COCC1(CCCC1)CNC(=O)C 11a_100012001599_100015343762 [0,1,0,1,0,0|2,0,0]=4 4001 B13R1.7308 COCC1(CCCC1)CNC(=O)C 1626a_100012001599_100015343762 [0,1,0,1,0,0|2,0,0]=4 4002 B13R1.7308 COCC1(CCCC1)CNC(=O)C 240690a_100012001599_100015343762 [0,1,0,1,0,0|2,0,0]=4 4003 B13R1.7308 COCC1(CCCC1)CNC(=O)C 527a_100012001599_100103153847 [0,1,0,1,0,0|2,0,0]=4 4004 B13R1.7308 COCC1(CCCC1)NCC(=O)N 2230a_100000757996_100000747473 [0,1,0,1,0,0|2,0,0]=4 4005 B13R1.7308 NCCC1(CCCC1)OCC(=O)N 34a_100000719956_100000187820 [0,1,0,1,0,0|2,0,0]=4 4006 B13R1.7308 NCCC1(CCCC1)OCC(=O)[O-] 34a_100000719956_100020667443 [0,1,0,1,0,0|1,0,1]=4 4007 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 34a_100011539931_100000187820 [0,1,0,1,0,0|2,0,0]=4 4008 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N 7a_100011539931_100000187820 [0,1,0,1,0,0|2,0,0]=4 4009 B13R1.164 CC1CCC(C(C1)C)OCC(=O)[O-] 34a_100011539931_100020667443 [0,1,0,1,0,0|1,0,1]=4 4010 B13R1.280 O=C(O)CNC1CCCCCC1=O 269956a_100016091260_100000243696 [0,1,0,1,0,0|1,0,1]=4 4011 B13R1.589 CC(C)C1CCCCN1CC(=O)N 2230a_100000757267_100000747473 [0,1,0,1,0,0|2,0,0]=4 4012 B13R1.589 CC(C)C1CCCCN1CC(=O)N 269982a_100000757267_100000187820 [0,1,0,1,0,0|2,0,0]=4 4013 B13R1.589 CC(C)C1CCCCN1CC(=O)N 34a_100000757267_100000187820 [0,1,0,1,0,0|2,0,0]=4 4014 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 269982a_100000757267_100020667443 [0,1,0,1,0,0|1,0,1]=4 4015 B13R1.589 CC(C)C1CCCCN1CC(=O)[O-] 34a_100000757267_100020667443 [0,1,0,1,0,0|1,0,1]=4 4016 B13R1.589 CC(C)N1CCCCC1CC(=O)N 2230a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 4017 B13R1.589 CC(C)N1CCCCC1CC(=O)N 269982a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 4018 B13R1.589 CC(C)N1CCCCC1CC(=O)N 34a_100015184752_100000210206 [0,1,0,1,0,0|2,0,0]=4 4019 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210211 [0,1,0,1,0,0|2,0,0]=4 4020 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210211 [0,1,0,1,0,0|2,0,0]=4 4021 B13R1.1927 CCCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210210 [0,1,0,1,0,0|2,0,0]=4 4022 B13R1.3142 CCCCN(C(C)C)C1CC(=O)C1 269982a_100000207398_100009894365 [0,1,0,1,0,0|2,0,0]=4 4023 B13R1.3575 O=C(O)CNC1CCCCC1(F)F 269956a_100016091260_200009832135 [0,1,0,1,0,0|2,0,0]=4 4024 B13R1.5191 CC(=O)CCN(CC1CC1)C(C)C 269982a_100000738798_100000053229 [0,1,0,1,0,0|2,0,0]=4 4025 B13R1.5191 CC(C)N(CCC(=O)N)CC1CC1 2230a_100000738798_100000744528 [0,1,0,1,0,0|2,0,0]=4 4026 B13R1.5191 CC(C)N(CCC(=O)N)CC1CC1 2230a_100011191440_100000742324 [0,1,0,1,0,0|2,0,0]=4 4027 B13R1.5191 CC(C)N(CCC(=O)N)CC1CC1 269982a_100000738798_100000744528 [0,1,0,1,0,0|2,0,0]=4 4028 B13R1.5191 CC(C)N(CCC(=O)N)CC1CC1 269982a_100011191440_100000756562 [0,1,0,1,0,0|2,0,0]=4 4029 B13R1.5191 CC(C)N(CCC(=O)N)CC1CC1 34a_100000738798_100000731001 [0,1,0,1,0,0|2,0,0]=4 4030 B13R1.5901 CC(=O)CCN1CCC(C1(C)C)C 269982a_102516457003_100000053229 [0,1,0,1,0,0|2,0,0]=4 4031 B13R1.5901 CC1CCN(C1(C)C)CCC(=O)N 2230a_102516457003_100000744528 [0,1,0,1,0,0|2,0,0]=4 4032 B13R1.5901 CC1CCN(C1(C)C)CCC(=O)N 269982a_102516457003_100000744528 [0,1,0,1,0,0|2,0,0]=4 4033 B13R1.5901 CC1CCN(C1(C)C)CCC(=O)N 34a_102516457003_100000731001 [0,1,0,1,0,0|2,0,0]=4 4034 B13R1.7749 CC(C)N(CCC(=O)N)C1CCC1 269982a_100011191440_100000749161 [0,1,0,1,0,0|2,0,0]=4 4035 B13R1.7749 CC(C)N(CCC(=O)N)C1CCC1 270004a_100011191440_100000241760 [0,1,0,1,0,0|2,0,0]=4 4036 B13R1.413 CCN(CCC(=O)N)C1CCCC1 2230a_100020645749_100000179811 [0,1,0,1,0,0|2,0,0]=4 4037 B13R1.413 CCN(CCC(=O)N)C1CCCC1 270004a_100020645749_100000210133 [0,1,0,1,0,0|2,0,0]=4 4038 B13R1.413 CCN(CCC(=O)N)C1CCOC1 2230a_100020645749_100000731011 [0,1,0,1,0,0|2,0,0]=4 4039 B13R1.413 CCN(CCC(=O)N)C1CCOC1 270004a_100020645749_100000752484 [0,1,0,1,0,0|2,0,0]=4 4040 B13R1.413 CCN(CCC(=O)N)C1CCSC1 270004a_100020645749_100000212027 [0,1,0,1,0,0|2,0,0]=4 4041 B13R1.451 CCCC(C)N1CCC(C1)C(=O)N 2230a_100000752358_100000766640 [0,1,0,1,0,0|2,0,0]=4 4042 B13R1.451 CCCC(C)N1CCC(C1)C(=O)N 269982a_100000752358_100000766640 [0,1,0,1,0,0|2,0,0]=4 4043 B13R1.451 CCCC(C)N1CCC(C1)C(=O)N 270004a_100000752358_100000211909 [0,1,0,1,0,0|2,0,0]=4 4044 B13R1.451 CCCC(C)N1CCC(C1)C(=O)N 34a_100000752358_100000766640 [0,1,0,1,0,0|2,0,0]=4 4045 B13R1.1404 CCN(CCC(=O)C)C(C)C1CC1 269982a_200000232609_100000053229 [0,1,0,1,0,0|2,0,0]=4 4046 B13R1.1404 CCN(CCC(=O)N)C(C)C1CC1 2230a_200000232609_100000744528 [0,1,0,1,0,0|2,0,0]=4 4047 B13R1.1404 CCN(CCC(=O)N)C(C)C1CC1 269982a_200000232609_100000744528 [0,1,0,1,0,0|2,0,0]=4 4048 B13R1.1412 CCN(CCC(C)C)C1CC(=O)C1 269982a_100000207693_100009894365 [0,1,0,1,0,0|2,0,0]=4 4049 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 2230a_100000698595_100000766640 [0,1,0,1,0,0|2,0,0]=4 4050 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 269982a_100000698595_100000766640 [0,1,0,1,0,0|2,0,0]=4 4051 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 270004a_100000698595_100000211909 [0,1,0,1,0,0|2,0,0]=4 4052 B13R1.3787 CC(=O)CCN1C(CCCC1C)C 269982a_100000210447_100000053229 [0,1,0,1,0,0|2,0,0]=4 4053 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 34a_100011218088_100000187820 [0,1,0,1,0,0|2,0,0]=4 4054 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 7a_100011218088_100000187820 [0,1,0,1,0,0|2,0,0]=4 4055 B13R1.3787 CC1CCCC(C1OCC(=O)[O-])C 34a_100011218088_100020667443 [0,1,0,1,0,0|1,0,1]=4 4056 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 2230a_100000210447_100000744528 [0,1,0,1,0,0|2,0,0]=4 4057 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 269982a_100000210447_100000744528 [0,1,0,1,0,0|2,0,0]=4 4058 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 34a_100000210447_100000731001 [0,1,0,1,0,0|2,0,0]=4 4059 B13R1.3 CC(=O)CCN1CCC(CC1)CF 269982a_100015203933_100000053229 [0,1,0,1,0,0|2,0,0]=4 4060 B13R1.3 CC(=O)CCN1CCC(CC1)CO 269982a_100000738675_100000053229 [0,1,0,1,0,0|2,0,0]=4 4061 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 240690a_100121570882_100015343762 [0,1,0,1,0,0|2,0,0]=4 4062 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 527a_100121570882_100103153847 [0,1,0,1,0,0|2,0,0]=4 4063 B13R1.3 CCC1CCC(CC1)NCC(=O)N 2230a_100011194317_100000747473 [0,1,0,1,0,0|2,0,0]=4 4064 B13R1.3 CCC1CCC(CC1)NCC(=O)N 34a_100011194317_100000187820 [0,1,0,1,0,0|2,0,0]=4 4065 B13R1.3 CCC1CCC(CC1)NCC(=O)[O-] 34a_100011194317_100020667443 [0,1,0,1,0,0|1,0,1]=4 4066 B13R1.3 CCC1CCC(CC1)OCC(=O)N 34a_100011215326_100000187820 [0,1,0,1,0,0|2,0,0]=4 4067 B13R1.3 CCC1CCC(CC1)OCC(=O)N 7a_100011215326_100000187820 [0,1,0,1,0,0|2,0,0]=4 4068 B13R1.3 CCC1CCC(CC1)OCC(=O)[O-] 34a_100011215326_100020667443 [0,1,0,1,0,0|1,0,1]=4 4069 B13R1.3 CCC1CCN(CC1)CCC(=O)C 269982a_100000754474_100000053229 [0,1,0,1,0,0|2,0,0]=4 4070 B13R1.3 CCC1CCN(CC1)CCC(=O)N 2230a_100000754474_100000744528 [0,1,0,1,0,0|2,0,0]=4 4071 B13R1.3 CCC1CCN(CC1)CCC(=O)N 269982a_100000754474_100000744528 [0,1,0,1,0,0|2,0,0]=4 4072 B13R1.3 CCC1CCN(CC1)CCC(=O)N 34a_100000754474_100000731001 [0,1,0,1,0,0|2,0,0]=4 4073 B13R1.3 CCN1CCC(CC1)CCC(=O)N 2230a_100015183425_100000210202 [0,1,0,1,0,0|1,0,0]=3 4074 B13R1.3 CCN1CCC(CC1)CCC(=O)N 34a_100015183425_100000210202 [0,1,0,1,0,0|1,0,0]=3 4075 B13R1.3 CCN1CCC(CC1)CNC(=O)C 11a_100000744039_100015343762 [0,1,0,1,0,0|2,0,0]=4 4076 B13R1.3 CCN1CCC(CC1)CNC(=O)C 1626a_100000744039_100015343762 [0,1,0,1,0,0|2,0,0]=4 4077 B13R1.3 CCN1CCC(CC1)CNC(=O)C 2230a_100011206997_100000210202 [0,1,0,1,0,0|2,0,0]=4 4078 B13R1.3 CCN1CCC(CC1)CNC(=O)C 240690a_100000744039_100015343762 [0,1,0,1,0,0|2,0,0]=4 4079 B13R1.3 CCN1CCC(CC1)CNC(=O)C 269982a_100011206997_100000204670 [0,1,0,1,0,0|2,0,0]=4 4080 B13R1.3 CCN1CCC(CC1)CNC(=O)C 34a_100011206997_100000210202 [0,1,0,1,0,0|2,0,0]=4 4081 B13R1.3 CCN1CCC(CC1)CNC(=O)C 527a_100000744039_100103153847 [0,1,0,1,0,0|2,0,0]=4 4082 B13R1.3 CCN1CCC(CC1)COC(=O)C 2230a_100025751628_100000210202 [0,1,0,1,0,0|2,0,0]=4 4083 B13R1.3 CCN1CCC(CC1)COC(=O)C 269982a_100025751628_100000204670 [0,1,0,1,0,0|2,0,0]=4 4084 B13R1.3 CCN1CCC(CC1)NCC(=O)N 2230a_100000199033_100000747473 [0,1,0,1,0,0|2,0,0]=4 4085 B13R1.3 CCN1CCC(CC1)OCC(=O)N 2230a_100000765839_100000210202 [0,1,0,1,0,0|2,0,0]=4 4086 B13R1.3 CCN1CCC(CC1)OCC(=O)N 269982a_100000765839_100000204670 [0,1,0,1,0,0|2,0,0]=4 4087 B13R1.3 CCN1CCC(CC1)OCC(=O)N 34a_100000765839_100000210202 [0,1,0,1,0,0|2,0,0]=4 4088 B13R1.3 CCN1CCC(CC1)OCC(=O)N 7a_100000231353_100000187820 [0,1,0,1,0,0|2,0,0]=4 4089 B13R1.3 CCN1CCN(CC1)CCC(=O)C 1458a_100000743735_200000210301 [0,1,0,1,0,0|2,0,0]=4 4090 B13R1.3 CCN1CCN(CC1)CCC(=O)C 269982a_100000210033_100000053229 [0,1,0,1,0,0|2,0,0]=4 4091 B13R1.3 CCN1CCN(CC1)CCC(=O)N 2230a_100000210033_100000744528 [0,1,0,1,0,0|2,0,0]=4 4092 B13R1.3 CCN1CCN(CC1)CCC(=O)N 2230a_114929131469_100000210202 [0,1,0,1,0,0|2,0,0]=4 4093 B13R1.3 CCN1CCN(CC1)CCC(=O)N 269982a_100000210033_100000744528 [0,1,0,1,0,0|2,0,0]=4 4094 B13R1.3 CCN1CCN(CC1)CCC(=O)N 269982a_114929131469_100000204670 [0,1,0,1,0,0|2,0,0]=4 4095 B13R1.3 CCN1CCN(CC1)CCC(=O)[13CH3] 1458a_100000743735_200025704644 [0,1,0,1,0,0|2,0,0]=4 4096 B13R1.3 CN[C@H]1CC[C@H](CC1)OCC(=O)N 34a_100020636401_100000187820 [0,1,0,1,0,0|2,0,0]=4 4097 B13R1.3 CN[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020636401_100020667443 [0,1,0,1,0,0|1,0,1]=4 4098 B13R1.3 COC1CCC(CC1)NCC(=O)N 34a_100015205214_100000187820 [0,1,0,1,0,0|2,0,0]=4 4099 B13R1.3 COC1CCC(CC1)NCC(=O)[O-] 34a_100015205214_100020667443 [0,1,0,1,0,0|1,0,1]=4 4100 B13R1.3 COC1CCC(CC1)OCC(=O)N 34a_100011581665_100000187820 [0,1,0,1,0,0|2,0,0]=4 4101 B13R1.3 COC1CCC(CC1)OCC(=O)N 7a_100011581665_100000187820 [0,1,0,1,0,0|2,0,0]=4 4102 B13R1.3 COC1CCC(CC1)OCC(=O)[O-] 34a_100011581665_100020667443 [0,1,0,1,0,0|1,0,1]=4 4103 B13R1.3 COC1CCN(CC1)CCC(=O)C 269982a_100000234800_100000053229 [0,1,0,1,0,0|2,0,0]=4 4104 B13R1.3 COC1CCN(CC1)CCC(=O)N 2230a_100000234800_100000744528 [0,1,0,1,0,0|2,0,0]=4 4105 B13R1.3 COC1CCN(CC1)CCC(=O)N 269982a_100000234800_100000744528 [0,1,0,1,0,0|2,0,0]=4 4106 B13R1.3 COC1CCN(CC1)CCC(=O)N 34a_100000234800_100000731001 [0,1,0,1,0,0|2,0,0]=4 4107 B13R1.3 CSC1CCN(CC1)CCC(=O)C 269982a_100015202541_100000053229 [0,1,0,1,0,0|2,0,0]=4 4108 B13R1.3 CSC1CCN(CC1)CCC(=O)N 2230a_100015202541_100000744528 [0,1,0,1,0,0|2,0,0]=4 4109 B13R1.3 CSC1CCN(CC1)CCC(=O)N 269982a_100015202541_100000744528 [0,1,0,1,0,0|2,0,0]=4 4110 B13R1.3 CSC1CCN(CC1)CCC(=O)N 34a_100015202541_100000731001 [0,1,0,1,0,0|2,0,0]=4 4111 B13R1.3 NC(=O)CCC1CCN(CC1)CF 34a_100015183425_100015361967 [0,1,0,1,0,0|2,0,0]=4 4112 B13R1.3 NC(=O)CCN1CCC(CC1)CF 2230a_100015203933_100000744528 [0,1,0,1,0,0|2,0,0]=4 4113 B13R1.3 NC(=O)CCN1CCC(CC1)CF 269982a_100015203933_100000744528 [0,1,0,1,0,0|2,0,0]=4 4114 B13R1.3 NC(=O)CCN1CCC(CC1)CF 34a_100015203933_100000731001 [0,1,0,1,0,0|2,0,0]=4 4115 B13R1.3 NC(=O)CCN1CCC(CC1)CO 2230a_100000738675_100000744528 [0,1,0,1,0,0|2,0,0]=4 4116 B13R1.3 NC(=O)CCN1CCC(CC1)CO 269982a_100000738675_100000744528 [0,1,0,1,0,0|2,0,0]=4 4117 B13R1.3 NC(=O)CCN1CCC(CC1)CO 34a_100000738675_100000731001 [0,1,0,1,0,0|2,0,0]=4 4118 B13R1.3 NC(=O)CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100000187820 [0,1,0,1,0,0|2,0,0]=4 4119 B13R1.3 O=C([O-])CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_100020667443 [0,1,0,1,0,0|1,0,1]=4 4120 B13R1.150 CC1CCCC(C1C)NCC(=O)N 2230a_100000211273_100000747473 [0,1,0,1,0,0|2,0,0]=4 4121 B13R1.150 CC1CCCC(C1C)NCC(=O)N 34a_100000211273_100000187820 [0,1,0,1,0,0|2,0,0]=4 4122 B13R1.150 CC1CCCC(C1C)NCC(=O)[O-] 34a_100000211273_100020667443 [0,1,0,1,0,0|1,0,1]=4 4123 B13R1.150 CC1CCCC(C1C)OCC(=O)N 34a_100011217532_100000187820 [0,1,0,1,0,0|2,0,0]=4 4124 B13R1.150 CC1CCCC(C1C)OCC(=O)N 7a_100011217532_100000187820 [0,1,0,1,0,0|2,0,0]=4 4125 B13R1.150 CC1CCCC(C1C)OCC(=O)[O-] 34a_100011217532_100020667443 [0,1,0,1,0,0|1,0,1]=4 4126 B13R1.240 CC(=O)CCN1CCC(C1)CCO 269982a_100016987287_100000053229 [0,1,0,1,0,0|2,0,0]=4 4127 B13R1.240 CCCN1CCC(C1)CNC(=O)C 11a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 4128 B13R1.240 CCCN1CCC(C1)CNC(=O)C 1626a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 4129 B13R1.240 CCCN1CCC(C1)CNC(=O)C 240690a_100011224067_100015343762 [0,1,0,1,0,0|2,0,0]=4 4130 B13R1.240 CCCN1CCC(C1)CNC(=O)C 527a_100011224067_100103153847 [0,1,0,1,0,0|2,0,0]=4 4131 B13R1.240 CCCN1CCC(C1)COC(=O)C 2230a_100000118262_100000210303 [0,1,0,1,0,0|2,0,0]=4 4132 B13R1.240 CCCN1CCC(C1)COC(=O)C 269982a_100000118262_100000210303 [0,1,0,1,0,0|2,0,0]=4 4133 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)C 269982a_100011787710_100000053229 [0,1,0,1,0,0|2,0,0]=4 4134 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)N 2230a_100011787710_100000744528 [0,1,0,1,0,0|2,0,0]=4 4135 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)N 269982a_100011787710_100000744528 [0,1,0,1,0,0|2,0,0]=4 4136 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)N 34a_100011787710_100000731001 [0,1,0,1,0,0|2,0,0]=4 4137 B13R1.240 COCC1CCN(C1)CCC(=O)C 269982a_100025706693_100000053229 [0,1,0,1,0,0|2,0,0]=4 4138 B13R1.240 COCC1CCN(C1)CCC(=O)N 2230a_100025706693_100000744528 [0,1,0,1,0,0|2,0,0]=4 4139 B13R1.240 COCC1CCN(C1)CCC(=O)N 269982a_100025706693_100000744528 [0,1,0,1,0,0|2,0,0]=4 4140 B13R1.240 COCC1CCN(C1)CCC(=O)N 34a_100025706693_100000731001 [0,1,0,1,0,0|2,0,0]=4 4141 B13R1.240 NC(=O)CCN1CCC(C1)CCO 2230a_100016987287_100000744528 [0,1,0,1,0,0|2,0,0]=4 4142 B13R1.240 NC(=O)CCN1CCC(C1)CCO 269982a_100016987287_100000744528 [0,1,0,1,0,0|2,0,0]=4 4143 B13R1.240 NC(=O)CCN1CCC(C1)CCO 34a_100016987287_100000731001 [0,1,0,1,0,0|2,0,0]=4 4144 B13R1.369 CCCNCC1CCC(=CC1C)C 269862a_100020643023_100000075207 [0,1,0,1,0,0|2,0,0]=4 4145 B13R1.370 CCCCNC1CCC(CC1)(C)O 270004a_100000102301_100012184276 [0,1,0,1,0,0|1,0,1]=4 4146 B13R1.370 CCCCNC1CCS(=O)(=O)CC1 2230a_100000739226_100000210211 [0,1,0,1,0,0|1,0,1]=4 4147 B13R1.370 CCCCNC1CCS(=O)(=O)CC1 270004a_100000102301_100000015219 [0,1,0,1,0,0|1,0,1]=4 4148 B13R1.370 CCCCNC1CCS(=O)(=O)CC1 34a_100000739226_100000210210 [0,1,0,1,0,0|1,0,1]=4 4149 B13R1.370 CCCCN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_100000210211 [0,1,0,1,0,0|1,0,1]=4 4150 B13R1.370 CCCCN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_100000210210 [0,1,0,1,0,0|1,0,1]=4 4151 B13R1.370 CCCCOC1CCS(=O)(=O)CC1 34a_100011349575_100000210210 [0,1,0,1,0,0|1,0,1]=4 4152 B13R1.370 CCCCOC1CCS(=O)(=O)CC1 7a_100011349575_100000210211 [0,1,0,1,0,0|1,0,1]=4 4153 B13R1.370 CCCNCC1CCS(=O)(=O)CC1 2230a_100000693208_100000210303 [0,1,0,1,0,0|1,0,1]=4 4154 B13R1.370 CCCNCC1CCS(=O)(=O)CC1 270004a_100020643023_200011794348 [0,1,0,1,0,0|1,0,1]=4 4155 B13R1.370 CCCNCC1CCS(=O)(=O)CC1 34a_100000693208_100000210303 [0,1,0,1,0,0|1,0,1]=4 4156 B13R1.658 C#CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000688953 [0,1,0,1,0,0|0,0,2]=4 4157 B13R1.658 C/C=C/CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100102629194 [0,1,0,1,0,0|0,0,2]=4 4158 B13R1.658 C=CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000754431 [0,1,0,1,0,0|0,0,2]=4 4159 B13R1.658 CC#CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000748600 [0,1,0,1,0,0|0,0,2]=4 4160 B13R1.658 CCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210326 [0,1,0,1,0,0|2,0,0]=4 4161 B13R1.658 CCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210215 [0,1,0,1,0,0|2,0,0]=4 4162 B13R1.658 CCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000718602 [0,1,0,1,0,0|2,0,0]=4 4163 B13R1.658 CCCCNC1CCN(C1)C(=O)C 2230a_100000705975_100000210211 [0,1,0,1,0,0|2,0,0]=4 4164 B13R1.658 CCCCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210211 [0,1,0,1,0,0|0,0,2]=4 4165 B13R1.658 CCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210211 [0,1,0,1,0,0|0,0,0]=2 4166 B13R1.658 CCCCO[C@H]1CCN(C1)C(=O)C 7a_100012000934_100000210211 [0,1,0,1,0,0|2,0,0]=4 4167 B13R1.658 CCCOCC1CCN(C1)C(=O)C 11a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 4168 B13R1.658 CCCOCC1CCN(C1)C(=O)C 1626a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 4169 B13R1.658 CCCOCC1CCN(C1)C(=O)C 240690a_200011652792_100015343762 [0,1,0,1,0,0|2,0,0]=4 4170 B13R1.658 CCCOCC1CCN(C1)C(=O)C 527a_200011652792_100103153847 [0,1,0,1,0,0|2,0,0]=4 4171 B13R1.658 CCOCCN1CCC(C1)C(=O)N 2230a_100000752358_100011215890 [0,1,0,1,0,0|2,0,0]=4 4172 B13R1.658 CCOCCN1CCC(C1)C(=O)N 269982a_100000752358_100011215890 [0,1,0,1,0,0|2,0,0]=4 4173 B13R1.658 CCOCCN1CCC(C1)C(=O)N 34a_100000752358_100000210147 [0,1,0,1,0,0|2,0,0]=4 4174 B13R1.658 CCOCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000739092 [0,1,0,1,0,0|1,0,0]=3 4175 B13R1.658 CCSCCN1CCC(C1)C(=O)N 2230a_100000752358_100000757381 [0,1,0,1,0,0|2,0,0]=4 4176 B13R1.658 CCSCCN1CCC(C1)C(=O)N 269982a_100000752358_100000757381 [0,1,0,1,0,0|2,0,0]=4 4177 B13R1.658 CCSCCN1CCC(C1)C(=O)N 34a_100000752358_100000757381 [0,1,0,1,0,0|2,0,0]=4 4178 B13R1.658 COCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000740836 [0,1,0,1,0,0|2,0,0]=4 4179 B13R1.658 COCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000740836 [0,1,0,1,0,0|2,0,0]=4 4180 B13R1.658 COCCCN1CCC(C1)C(=O)N 34a_100000752358_100000740836 [0,1,0,1,0,0|2,0,0]=4 4181 B13R1.658 COCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000233755 [0,1,0,1,0,0|1,0,0]=3 4182 B13R1.658 CSCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000212216 [0,1,0,1,0,0|1,0,0]=3 4183 B13R1.658 N#CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011215226 [0,1,0,1,0,0|1,0,1]=4 4184 B13R1.658 NC(=O)C1CCN(C1)CCCCF 2230a_100000752358_100000729493 [0,1,0,1,0,0|2,0,0]=4 4185 B13R1.658 NC(=O)C1CCN(C1)CCCCF 269982a_100000752358_100000729493 [0,1,0,1,0,0|2,0,0]=4 4186 B13R1.658 NC(=O)C1CCN(C1)CCCCF 34a_100000752358_100000729493 [0,1,0,1,0,0|2,0,0]=4 4187 B13R1.658 NC(=O)C1CCN(C1)CCCCO 2230a_100000752358_100000210776 [0,1,0,1,0,0|2,0,0]=4 4188 B13R1.658 NC(=O)C1CCN(C1)CCCCO 269982a_100000752358_100000210776 [0,1,0,1,0,0|2,0,0]=4 4189 B13R1.658 NC(=O)C1CCN(C1)CCCCO 34a_100000752358_100011216708 [0,1,0,1,0,0|2,0,0]=4 4190 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCF 269956a_100015195206_100011934791 [0,1,0,1,0,0|1,0,0]=3 4191 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCO 269956a_100015195206_100011215043 [0,1,0,1,0,0|1,0,0]=3 4192 B13R1.1149 CCCCCN1CCNC(=O)CC1 2230a_100000698595_100000210326 [0,1,0,1,0,0|2,0,0]=4 4193 B13R1.1149 CCCCCN1CCNC(=O)CC1 269982a_100000698595_100000210215 [0,1,0,1,0,0|2,0,0]=4 4194 B13R1.1149 CCOCCN1CCNC(=O)CC1 2230a_100000698595_100011215890 [0,1,0,1,0,0|2,0,0]=4 4195 B13R1.1149 CCOCCN1CCNC(=O)CC1 269982a_100000698595_100011215890 [0,1,0,1,0,0|2,0,0]=4 4196 B13R1.1149 CCSCCN1CCNC(=O)CC1 2230a_100000698595_100000757381 [0,1,0,1,0,0|2,0,0]=4 4197 B13R1.1149 CCSCCN1CCNC(=O)CC1 269982a_100000698595_100000757381 [0,1,0,1,0,0|2,0,0]=4 4198 B13R1.1149 COCCCN1CCNC(=O)CC1 2230a_100000698595_100000740836 [0,1,0,1,0,0|2,0,0]=4 4199 B13R1.1149 COCCCN1CCNC(=O)CC1 269982a_100000698595_100000740836 [0,1,0,1,0,0|2,0,0]=4 4200 B13R1.1149 O=C1CCN(CCN1)CCCCF 2230a_100000698595_100000729493 [0,1,0,1,0,0|2,0,0]=4 4201 B13R1.1149 O=C1CCN(CCN1)CCCCF 269982a_100000698595_100000729493 [0,1,0,1,0,0|2,0,0]=4 4202 B13R1.1149 O=C1CCN(CCN1)CCCCO 2230a_100000698595_100000210776 [0,1,0,1,0,0|2,0,0]=4 4203 B13R1.1149 O=C1CCN(CCN1)CCCCO 269982a_100000698595_100000210776 [0,1,0,1,0,0|2,0,0]=4 4204 B13R1.1410 CCN(CCC(=O)N)CC1CCC1 2230a_100020645749_100000763275 [0,1,0,1,0,0|2,0,0]=4 4205 B13R1.1410 CCN(CCC(=O)N)CC1CCO1 2230a_100020645749_100000103362 [0,1,0,1,0,0|2,0,0]=4 4206 B13R1.1410 CCN(CCC(=O)N)CC1COC1 2230a_100020645749_100010264016 [0,1,0,1,0,0|2,0,0]=4 4207 B13R1.2694 CCN(CCC(=O)N)CCC1CC1 2230a_100020645749_100000694398 [0,1,0,1,0,0|2,0,0]=4 4208 B13R1.2694 CCN(CCC(=O)N)CCC1CO1 2230a_100020645749_100000732470 [0,1,0,1,0,0|2,0,0]=4 4209 B13R1.2771 CCN(CCCCO)C1CC(=O)C1 269982a_100011217355_100009894365 [0,1,0,1,0,0|2,0,0]=4 4210 B13R1.5993 CCC1(CCCCC1)OCC(=O)N 34a_100011216009_100000187820 [0,1,0,1,0,0|2,0,0]=4 4211 B13R1.5993 CCC1(CCCCC1)OCC(=O)N 7a_100011216009_100000187820 [0,1,0,1,0,0|2,0,0]=4 4212 B13R1.5993 CCC1(CCCCC1)OCC(=O)[O-] 34a_100011216009_100020667443 [0,1,0,1,0,0|1,0,1]=4 4213 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 34a_100011217446_100000187820 [0,1,0,1,0,0|2,0,0]=4 4214 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 7a_100011217446_100000187820 [0,1,0,1,0,0|2,0,0]=4 4215 B13R1.893 CC1CCC(C(C1)OCC(=O)[O-])C 34a_100011217446_100020667443 [0,1,0,1,0,0|1,0,1]=4 4216 B13R1.1706 CCC(C)CN1CCC(C1)C(=O)N 2230a_100000752358_100000748023 [0,1,0,1,0,0|2,0,0]=4 4217 B13R1.1706 CCC(C)CN1CCC(C1)C(=O)N 269982a_100000752358_100000748023 [0,1,0,1,0,0|2,0,0]=4 4218 B13R1.1706 CCC(C)CN1CCC(C1)C(=O)N 270004a_100000752358_100000243153 [0,1,0,1,0,0|2,0,0]=4 4219 B13R1.1706 CCC(C)CN1CCC(C1)C(=O)N 34a_100000752358_100000748023 [0,1,0,1,0,0|2,0,0]=4 4220 B13R1.1706 CCC(C)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000758301 [0,1,0,1,0,0|1,0,0]=3 4221 B13R1.1706 CCC(O)CN1CCC(C1)C(=O)N 2230a_100000752358_100011218378 [0,1,0,1,0,0|2,0,0]=4 4222 B13R1.1706 CCC(O)CN1CCC(C1)C(=O)N 269982a_100000752358_100011218378 [0,1,0,1,0,0|2,0,0]=4 4223 B13R1.1706 CCC(O)CN1CCC(C1)C(=O)N 34a_100000752358_100011218378 [0,1,0,1,0,0|2,0,0]=4 4224 B13R1.1706 CC[C@H](C)CN1CCC(C1)C(=O)N 2230a_100000752358_100009816398 [0,1,0,1,0,0|2,0,0]=4 4225 B13R1.1706 CC[C@H](C)CN1CCC(C1)C(=O)N 269982a_100000752358_100009816398 [0,1,0,1,0,0|2,0,0]=4 4226 B13R1.1706 CC[C@H](C)CN1CCC(C1)C(=O)N 34a_100000752358_100009816398 [0,1,0,1,0,0|2,0,0]=4 4227 B13R1.1706 COC(C)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100009879195 [0,1,0,1,0,0|2,0,0]=4 4228 B13R1.1706 C[C@H](CO)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100016084084 [0,1,0,1,0,0|2,0,0]=4 4229 B13R1.1869 CCC(C)CN1CCNC(=O)CC1 2230a_100000698595_100000748023 [0,1,0,1,0,0|2,0,0]=4 4230 B13R1.1869 CCC(C)CN1CCNC(=O)CC1 269982a_100000698595_100000748023 [0,1,0,1,0,0|2,0,0]=4 4231 B13R1.1869 CCC(C)CN1CCNC(=O)CC1 270004a_100000698595_100000243153 [0,1,0,1,0,0|2,0,0]=4 4232 B13R1.1869 CCC(O)CN1CCNC(=O)CC1 2230a_100000698595_100011218378 [0,1,0,1,0,0|2,0,0]=4 4233 B13R1.1869 CCC(O)CN1CCNC(=O)CC1 269982a_100000698595_100011218378 [0,1,0,1,0,0|2,0,0]=4 4234 B13R1.1869 CC[C@H](C)CN1CCNC(=O)CC1 2230a_100000698595_100009816398 [0,1,0,1,0,0|2,0,0]=4 4235 B13R1.1869 CC[C@H](C)CN1CCNC(=O)CC1 269982a_100000698595_100009816398 [0,1,0,1,0,0|2,0,0]=4 4236 B13R1.7420 CCC(O)CN(CC)C1CC(=O)C1 269982a_100011365200_100009894365 [0,1,0,1,0,0|2,0,0]=4 4237 B13R1.58 CCC1CCC(C1)N(C)CC(=O)N 270004a_100000739694_100011218773 [0,1,0,1,0,0|2,0,0]=4 4238 B13R1.58 CCN1CCC(C1)N(C)CC(=O)O 269956a_100000746989_200011861547 [0,1,0,1,0,0|2,0,0]=4 4239 B13R1.132 CC1CCC(CC1)C(=O)CC(=O)N 1458a_100134613110_200011216234 [0,1,0,1,0,0|1,0,1]=4 4240 B13R1.132 CC1CCC(CC1)N(C)CC(=O)N 270004a_100000739694_100000185489 [0,1,0,1,0,0|2,0,0]=4 4241 B13R1.132 CC1CCC(CC1)N(C)CC(=O)O 269956a_100000746989_200011216234 [0,1,0,1,0,0|1,0,0]=3 4242 B13R1.132 CN1CCC(CC1)N(C)CC(=O)O 269956a_100000746989_100011215917 [0,1,0,1,0,0|2,0,0]=4 4243 B13R1.132 CN1CCC(CC1)N(C)CC(=O)O 269956a_200015186378_200000210301 [0,1,0,1,0,0|2,0,0]=4 4244 B13R1.132 CN1CCC(CC1)N([13CH3])CC(=O)O 269956a_200015186378_200025704644 [0,1,0,1,0,0|2,0,0]=4 4245 B13R1.132 C[C@H]1CC[C@@H](CC1)C(=O)CC(=O)N 1458a_100009815934_100000187820 [0,1,0,1,0,0|1,0,1]=4 4246 B13R1.132 C[C@H]1CC[C@@H](CC1)C(=O)CC(=O)[O-] 1458a_100009815934_100020667443 [0,1,0,1,0,0|0,0,2]=4 4247 B13R1.201 CC1CCCCC1C(=O)CC(=O)N 1458a_100011215568_100000187820 [0,1,0,1,0,0|1,0,1]=4 4248 B13R1.201 CC1CCCCC1C(=O)CC(=O)[O-] 1458a_100011215568_100020667443 [0,1,0,1,0,0|0,0,2]=4 4249 B13R1.201 CC1CCCCC1N(C)CC(=O)N 270004a_100000739694_100000210921 [0,1,0,1,0,0|2,0,0]=4 4250 B13R1.201 CN(CC(=O)O)C1CCCCC1F 269956a_100000746989_100015423560 [0,1,0,1,0,0|2,0,0]=4 4251 B13R1.201 CN(CC(=O)O)C1CCCCC1O 269956a_100000746989_100000038908 [0,1,0,1,0,0|2,0,0]=4 4252 B13R1.7456 CC(=O)CC(C)N1CCCCCC1 1458a_100015185830_200000210301 [0,1,0,1,0,0|2,0,0]=4 4253 B13R1.7456 CC(CC(=O)[13CH3])N1CCCCCC1 1458a_100015185830_200025704644 [0,1,0,1,0,0|2,0,0]=4 4254 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 2230a_100015185097_100000747473 [0,1,0,1,0,0|2,0,0]=4 4255 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 269982a_100015185097_100000187820 [0,1,0,1,0,0|2,0,0]=4 4256 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 270004a_100000739694_100000210131 [0,1,0,1,0,0|2,0,0]=4 4257 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 34a_100015185097_100000187820 [0,1,0,1,0,0|2,0,0]=4 4258 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_100000746989_100011217769 [0,1,0,1,0,0|1,0,0]=3 4259 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 269956a_200011259081_200000210301 [0,1,0,1,0,0|1,0,0]=3 4260 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 269982a_100015185097_100020667443 [0,1,0,1,0,0|1,0,1]=4 4261 B13R1.7456 CN(CC(=O)[O-])C1CCCCCC1 34a_100015185097_100020667443 [0,1,0,1,0,0|1,0,1]=4 4262 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100000749507_100000187820 [0,1,0,1,0,0|1,0,1]=4 4263 B13R1.7456 NC(=O)CC(=O)C1CCCCCC1 1458a_100134613110_100011217769 [0,1,0,1,0,0|1,0,1]=4 4264 B13R1.7456 O=C([O-])CC(=O)C1CCCCCC1 1458a_100000749507_100020667443 [0,1,0,1,0,0|0,0,2]=4 4265 B13R1.7456 [13CH3]N(CC(=O)O)C1CCCCCC1 269956a_200011259081_200025704644 [0,1,0,1,0,0|1,0,0]=3 4266 B13R1.14 C=CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000185746 [0,1,0,1,0,0|2,0,0]=4 4267 B13R1.14 C=CC(=O)NCC1CCC(CC1)C 240690a_103436935547_200121576911 [0,1,0,1,0,0|2,0,0]=4 4268 B13R1.14 CC1CCC(CC1)CNC(=O)CO 240690a_103436935547_100000210174 [0,1,0,1,0,0|1,0,0]=3 4269 B13R1.14 CC1CCC(CC1)CNC(=O)CO 527a_103436935547_100000210174 [0,1,0,1,0,0|1,0,0]=3 4270 B13R1.14 CC1CCN(CC1)CCC(=O)CF 1458a_100000740328_100015361967 [0,1,0,1,0,0|2,0,0]=4 4271 B13R1.14 CCC(=O)CCN1CCC(CC1)C 1458a_100000740328_100000210202 [0,1,0,1,0,0|2,0,0]=4 4272 B13R1.14 CCC(=O)COC1CCC(CC1)C 34a_100000725409_200011216234 [0,1,0,1,0,0|2,0,0]=4 4273 B13R1.14 CCC(=O)COC1CCC(CC1)C 7a_100000210714_100000747405 [0,1,0,1,0,0|2,0,0]=4 4274 B13R1.14 CCC(=O)CSC1CCC(CC1)C 62a_100000747405_200011216234 [0,1,0,1,0,0|2,0,0]=4 4275 B13R1.14 CCC(=O)NCC1CCC(CC1)C 11a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 4276 B13R1.14 CCC(=O)NCC1CCC(CC1)C 1626a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 4277 B13R1.14 CCC(=O)NCC1CCC(CC1)C 240690a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 4278 B13R1.14 CCC(=O)NCC1CCC(CC1)C 527a_103436935547_100000210414 [0,1,0,1,0,0|2,0,0]=4 4279 B13R1.14 CN1CCC(CC1)CNC(=O)CO 240690a_100000746316_100000210174 [0,1,0,1,0,0|2,0,0]=4 4280 B13R1.14 CN1CCC(CC1)CNC(=O)CO 527a_100000746316_100000210174 [0,1,0,1,0,0|2,0,0]=4 4281 B13R1.14 CN1CCN(CC1)CCC(=O)CO 1458a_100000210174_100000694902 [0,1,0,1,0,0|2,0,0]=4 4282 B13R1.14 CNC(=O)CCN1CCC(CC1)C 1626a_100102657272_100000740328 [0,1,0,1,0,0|2,0,0]=4 4283 B13R1.14 CNC(=O)CCN1CCC(CC1)C 2230a_100000188429_100000737683 [0,1,0,1,0,0|2,0,0]=4 4284 B13R1.14 CNC(=O)CCN1CCC(CC1)C 240690a_100102657272_100000740328 [0,1,0,1,0,0|2,0,0]=4 4285 B13R1.14 CNC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000737683 [0,1,0,1,0,0|2,0,0]=4 4286 B13R1.14 CNC(=O)CCN1CCC(CC1)C 34a_100000188429_100012179268 [0,1,0,1,0,0|2,0,0]=4 4287 B13R1.14 CNC(=O)CNC1CCC(CC1)C 270004a_100000693194_100000185489 [0,1,0,1,0,0|2,0,0]=4 4288 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000183359 [0,1,0,1,0,0|2,0,0]=4 4289 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000183359 [0,1,0,1,0,0|2,0,0]=4 4290 B13R1.14 CNC(=O)COC1CCC(CC1)C 34a_100000210714_100000183359 [0,1,0,1,0,0|2,0,0]=4 4291 B13R1.14 CNC(=O)COC1CCC(CC1)C 34a_100000750040_200011216234 [0,1,0,1,0,0|2,0,0]=4 4292 B13R1.14 CNC(=O)COC1CCC(CC1)C 7a_100000210714_100000183359 [0,1,0,1,0,0|2,0,0]=4 4293 B13R1.14 CNC(=O)CSC1CCC(CC1)C 62a_100000183359_200011216234 [0,1,0,1,0,0|2,0,0]=4 4294 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_100102657272_103436935547 [0,1,0,1,0,0|2,0,0]=4 4295 B13R1.14 CNC(=O)NCC1CCC(CC1)C 2708a_103436935547_106832991635 [0,1,0,1,0,0|2,0,0]=4 4296 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_100102657272_103436935547 [0,1,0,1,0,0|2,0,0]=4 4297 B13R1.14 CNC(=O)NCC1CCC(CC1)C 273464a_103436935547_100102657272 [0,1,0,1,0,0|2,0,0]=4 4298 B13R1.14 CNC(=O)NCC1CCC(CC1)C 512a_106832991638_103436935547 [0,1,0,1,0,0|2,0,0]=4 4299 B13R1.14 COC(=O)CCC1CCN(CC1)C 2230a_100000685932_200000210301 [0,1,0,1,0,0|1,0,0]=3 4300 B13R1.14 COC(=O)CCC1CCN(CC1)C 269982a_100000685932_200000210301 [0,1,0,1,0,0|1,0,0]=3 4301 B13R1.14 COC(=O)CCC1CCN(CC1)C 34a_100000685932_200000210301 [0,1,0,1,0,0|1,0,0]=3 4302 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 2230a_100000685932_200025704644 [0,1,0,1,0,0|1,0,0]=3 4303 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 269982a_100000685932_200025704644 [0,1,0,1,0,0|1,0,0]=3 4304 B13R1.14 COC(=O)CCC1CCN(CC1)[13CH3] 34a_100000685932_200025704644 [0,1,0,1,0,0|1,0,0]=3 4305 B13R1.14 COC(=O)CCN1CCC(CC1)C 2230a_100000188429_100000204255 [0,1,0,1,0,0|1,0,0]=3 4306 B13R1.14 COC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000204255 [0,1,0,1,0,0|1,0,0]=3 4307 B13R1.14 COC(=O)CCN1CCC(CC1)C 34a_100000188429_100000742370 [0,1,0,1,0,0|1,0,0]=3 4308 B13R1.14 COC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000204255 [0,1,0,1,0,0|2,0,0]=4 4309 B13R1.14 COC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000204255 [0,1,0,1,0,0|2,0,0]=4 4310 B13R1.14 COC(=O)CCN1CCC(CC1)F 34a_100015193889_100000742370 [0,1,0,1,0,0|2,0,0]=4 4311 B13R1.14 COC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000204255 [0,1,0,1,0,0|2,0,0]=4 4312 B13R1.14 COC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000204255 [0,1,0,1,0,0|2,0,0]=4 4313 B13R1.14 COC(=O)CCN1CCN(CC1)C 2230a_100000188432_100000204255 [0,1,0,1,0,0|2,0,0]=4 4314 B13R1.14 COC(=O)CCN1CCN(CC1)C 269982a_100000188432_100000204255 [0,1,0,1,0,0|2,0,0]=4 4315 B13R1.14 COC(=O)CCN1CCN(CC1)C 269982a_100000744214_200000210301 [0,1,0,1,0,0|2,0,0]=4 4316 B13R1.14 COC(=O)CCN1CCN(CC1)[13CH3] 269982a_100000744214_200025704644 [0,1,0,1,0,0|2,0,0]=4 4317 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000747449 [0,1,0,1,0,0|1,0,0]=3 4318 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000747449 [0,1,0,1,0,0|1,0,0]=3 4319 B13R1.14 COC(=O)COC1CCC(CC1)C 34a_100000210714_100000747449 [0,1,0,1,0,0|1,0,0]=3 4320 B13R1.14 COC(=O)COC1CCC(CC1)C 7a_100000210714_100000747449 [0,1,0,1,0,0|1,0,0]=3 4321 B13R1.14 COC(=O)COC1CCN(CC1)C 2230a_200020626035_200000210301 [0,1,0,1,0,0|2,0,0]=4 4322 B13R1.14 COC(=O)COC1CCN(CC1)C 269982a_200020626035_200000210301 [0,1,0,1,0,0|2,0,0]=4 4323 B13R1.14 COC(=O)COC1CCN(CC1)[13CH3] 2230a_200020626035_200025704644 [0,1,0,1,0,0|2,0,0]=4 4324 B13R1.14 COC(=O)COC1CCN(CC1)[13CH3] 269982a_200020626035_200025704644 [0,1,0,1,0,0|2,0,0]=4 4325 B13R1.14 COC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000747449 [0,1,0,1,0,0|2,0,0]=4 4326 B13R1.14 COC(=O)CSC1CCC(CC1)C 62a_100000747449_200011216234 [0,1,0,1,0,0|1,0,0]=3 4327 B13R1.14 COC(=O)CSC1CCN(CC1)C 62a_100000747449_100011215917 [0,1,0,1,0,0|2,0,0]=4 4328 B13R1.61 CCC(=O)CCC1CCC(C1)CC 1458a_200009887184_100000210202 [0,1,0,1,0,0|1,0,0]=3 4329 B13R1.61 CCC1CCC(C1)CCC(=O)CF 1458a_200009887184_100015361967 [0,1,0,1,0,0|1,0,0]=3 4330 B13R1.61 CCC1CCC(C1)CCC(=O)NC 11a_106832991635_200009887184 [0,1,0,1,0,0|1,0,0]=3 4331 B13R1.61 CCC1CCC(C1)CCC(=O)NC 1626a_100102657272_200009887184 [0,1,0,1,0,0|1,0,0]=3 4332 B13R1.61 CCC1CCC(C1)CCC(=O)NC 240690a_100102657272_200009887184 [0,1,0,1,0,0|1,0,0]=3 4333 B13R1.61 CCC1CCC(C1)CCC(=O)NC 527a_100102657272_200009887184 [0,1,0,1,0,0|1,0,0]=3 4334 B13R1.61 CCC1CCC(C1)NCC(=O)NC 270004a_100000693194_100011218773 [0,1,0,1,0,0|2,0,0]=4 4335 B13R1.61 CCN1CCC(C1)CNC(=O)CO 240690a_100011224064_100000210174 [0,1,0,1,0,0|2,0,0]=4 4336 B13R1.61 CCN1CCC(C1)CNC(=O)CO 527a_100011224064_100000210174 [0,1,0,1,0,0|2,0,0]=4 4337 B13R1.61 CCN1CCC(C1)NCC(=O)OC 2230a_100015188829_100000747449 [0,1,0,1,0,0|2,0,0]=4 4338 B13R1.61 CCN1CCC(C1)SCC(=O)OC 62a_100000747449_200011861547 [0,1,0,1,0,0|2,0,0]=4 4339 B13R1.61 CCN1CC[C@H](C1)OCC(=O)OC 2230a_100102564761_100000210202 [0,1,0,1,0,0|2,0,0]=4 4340 B13R1.61 CCN1CC[C@H](C1)OCC(=O)OC 269982a_100102564761_100000204670 [0,1,0,1,0,0|2,0,0]=4 4341 B13R1.61 COC(=O)CCN1CCC(C1)CO 2230a_100000748654_100000204255 [0,1,0,1,0,0|2,0,0]=4 4342 B13R1.61 COC(=O)CCN1CCC(C1)CO 269982a_100000748654_100000204255 [0,1,0,1,0,0|2,0,0]=4 4343 B13R1.61 COC(=O)CCN1CCC(C1)CO 34a_100000748654_100000742370 [0,1,0,1,0,0|2,0,0]=4 4344 B13R1.61 COC(=O)CCN1CC[C@H](C1)OC 2230a_100000766984_100000204255 [0,1,0,1,0,0|2,0,0]=4 4345 B13R1.61 COC(=O)CCN1CC[C@H](C1)OC 269982a_100000766984_100000204255 [0,1,0,1,0,0|2,0,0]=4 4346 B13R1.61 O=C(CO)NC[C@@H]1CC[C@@H](C1)CO 240690a_206354213956_100000210174 [0,1,0,1,0,0|2,0,0]=4 4347 B13R1.91 CCC(=O)CN1CCCCC1CC 269982a_100000210034_100000747405 [0,1,0,1,0,0|2,0,0]=4 4348 B13R1.91 CCC1CCCCN1CC(=O)NC 2230a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 4349 B13R1.91 CCC1CCCCN1CC(=O)NC 269982a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 4350 B13R1.91 CCC1CCCCN1CC(=O)NC 34a_100000210034_100000183359 [0,1,0,1,0,0|2,0,0]=4 4351 B13R1.91 CCC1CCCCN1CC(=O)OC 2230a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 4352 B13R1.91 CCC1CCCCN1CC(=O)OC 269982a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 4353 B13R1.91 CCC1CCCCN1CC(=O)OC 34a_100000210034_100000747449 [0,1,0,1,0,0|1,0,0]=3 4354 B13R1.91 CCN1CCOCC1CC(=O)OC 2230a_100000731486_100000210202 [0,1,0,1,0,0|2,0,0]=4 4355 B13R1.91 CCN1CCOCC1CC(=O)OC 34a_100000731486_100000210202 [0,1,0,1,0,0|2,0,0]=4 4356 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 2230a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 4357 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 269982a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 4358 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 34a_100016988097_100000747449 [0,1,0,1,0,0|2,0,0]=4 4359 B13R1.91 COC(=O)CN1CCCCC1CO 2230a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 4360 B13R1.91 COC(=O)CN1CCCCC1CO 269982a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 4361 B13R1.91 COC(=O)CN1CCCCC1CO 34a_100000210821_100000747449 [0,1,0,1,0,0|2,0,0]=4 4362 B13R1.91 COC1CCCCC1NC(=O)CO 240690a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 4363 B13R1.91 COC1CCCCC1NC(=O)CO 527a_100011208099_100000210174 [0,1,0,1,0,0|2,0,0]=4 4364 B13R1.222 COCC1CCN1CCC(=O)OC 2230a_100015195929_100000204255 [0,1,0,1,0,0|2,0,0]=4 4365 B13R1.222 COCC1CCN1CCC(=O)OC 269982a_100015195929_100000204255 [0,1,0,1,0,0|2,0,0]=4 4366 B13R1.222 COCC1CCN1CCC(=O)OC 34a_100015195929_100000742370 [0,1,0,1,0,0|2,0,0]=4 4367 B13R1.495 CCCCN1CCC(C1)C(=O)NC 2230a_100020588580_100000210211 [0,1,0,1,0,0|2,0,0]=4 4368 B13R1.495 CCCCN1CCC(C1)C(=O)NC 269982a_100020588580_100000210211 [0,1,0,1,0,0|2,0,0]=4 4369 B13R1.495 CCCCN1CCC(C1)C(=O)NC 34a_100020588580_100000210210 [0,1,0,1,0,0|2,0,0]=4 4370 B13R1.495 CCCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100000210211 [0,1,0,1,0,0|1,0,0]=3 4371 B13R1.495 CCCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210211 [0,1,0,1,0,0|1,0,0]=3 4372 B13R1.495 CCCOC1CCC(C1)C(=O)OC 34a_100010257243_100000210303 [0,1,0,1,0,0|1,0,0]=3 4373 B13R1.495 CCCOC1CCC(C1)C(=O)OC 7a_100010257243_100000210303 [0,1,0,1,0,0|1,0,0]=3 4374 B13R1.495 CCNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_100015525214_200159312670 [0,1,0,1,0,0|1,0,0]=3 4375 B13R1.495 CCOCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000739092 [0,1,0,1,0,0|2,0,0]=4 4376 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_100000210202 [0,1,0,1,0,0|1,0,0]=3 4377 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100121572206_200159312670 [0,1,0,1,0,0|1,0,0]=3 4378 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_100000210202 [0,1,0,1,0,0|1,0,0]=3 4379 B13R1.495 CCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_100000210202_200159312670 [0,1,0,1,0,0|1,0,0]=3 4380 B13R1.495 CCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_200159312670_100000210202 [0,1,0,1,0,0|1,0,0]=3 4381 B13R1.495 COC(=O)C1CCC(C1)OCCF 34a_100010257243_100011217306 [0,1,0,1,0,0|2,0,0]=4 4382 B13R1.495 COC(=O)C1CCC(C1)OCCF 7a_100010257243_100011217306 [0,1,0,1,0,0|2,0,0]=4 4383 B13R1.495 COC(=O)C1CCC(C1)OCCO 34a_100010257243_100000211926 [0,1,0,1,0,0|2,0,0]=4 4384 B13R1.495 COC(=O)C1CCC(C1)OCCO 7a_100010257243_100000211926 [0,1,0,1,0,0|2,0,0]=4 4385 B13R1.495 COC(=O)C1CCC(C1)OCSC 34a_100010257243_100011218213 [0,1,0,1,0,0|2,0,0]=4 4386 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCF 2230a_100016989057_100011934791 [0,1,0,1,0,0|2,0,0]=4 4387 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCF 269982a_100016989057_100011934791 [0,1,0,1,0,0|2,0,0]=4 4388 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCO 2230a_100016989057_100000230001 [0,1,0,1,0,0|2,0,0]=4 4389 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCO 269982a_100016989057_100011215043 [0,1,0,1,0,0|2,0,0]=4 4390 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCSC 2230a_100016989057_100000751147 [0,1,0,1,0,0|2,0,0]=4 4391 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCSC 269982a_100016989057_100000212216 [0,1,0,1,0,0|2,0,0]=4 4392 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)COCF 34a_100015302752_100015361967 [0,1,0,1,0,0|2,0,0]=4 4393 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)COCF 7a_100015302752_100015361967 [0,1,0,1,0,0|2,0,0]=4 4394 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)CSCF 62a_100015361967_200159312670 [0,1,0,1,0,0|2,0,0]=4 4395 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)CSCF 62a_200159312670_100015361967 [0,1,0,1,0,0|2,0,0]=4 4396 B13R1.495 COCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100011201679 [0,1,0,1,0,0|2,0,0]=4 4397 B13R1.495 COCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000233755 [0,1,0,1,0,0|2,0,0]=4 4398 B13R1.528 C#CC(=O)CCC1CCCCN1C 1458a_100000211873_100000211948 [0,1,0,1,0,0|2,0,0]=4 4399 B13R1.528 C=CC(=O)CCC1CCCCN1C 1458a_100000185746_100000211948 [0,1,0,1,0,0|2,0,0]=4 4400 B13R1.528 CC1CCCCC1OCC(=O)CF 1458a_100011223357_100015361967 [0,1,0,1,0,0|2,0,0]=4 4401 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000210414_100000211948 [0,1,0,1,0,0|2,0,0]=4 4402 B13R1.528 CCC(=O)CCC1CCCCN1C 1458a_100000718493_100000210202 [0,1,0,1,0,0|2,0,0]=4 4403 B13R1.528 CCC(=O)COC1CCCCC1C 1458a_100011223357_100000210202 [0,1,0,1,0,0|2,0,0]=4 4404 B13R1.528 CCC(=O)COC1CCCCC1C 7a_100000211207_100000747405 [0,1,0,1,0,0|2,0,0]=4 4405 B13R1.528 CN1CCCCC1CCC(=O)CF 1458a_100000718493_100015361967 [0,1,0,1,0,0|2,0,0]=4 4406 B13R1.528 CN1CCCCC1CCC(=O)CO 1458a_100000210174_100000211948 [0,1,0,1,0,0|1,0,0]=3 4407 B13R1.528 CN1CCCCC1CNC(=O)CO 240690a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 4408 B13R1.528 CN1CCCCC1CNC(=O)CO 527a_100011228421_100000210174 [0,1,0,1,0,0|2,0,0]=4 4409 B13R1.528 CNC(=O)CCC1CCCCN1C 240690a_100102657272_100000718493 [0,1,0,1,0,0|2,0,0]=4 4410 B13R1.528 CNC(=O)CCC1CCCCN1C 527a_100102657272_100000718493 [0,1,0,1,0,0|2,0,0]=4 4411 B13R1.528 CNC(=O)CCN1CCCCC1C 2230a_100000211376_100000737683 [0,1,0,1,0,0|2,0,0]=4 4412 B13R1.528 CNC(=O)CCN1CCCCC1C 240690a_100102657272_100000727554 [0,1,0,1,0,0|2,0,0]=4 4413 B13R1.528 CNC(=O)CCN1CCCCC1C 269982a_100000211376_100000737683 [0,1,0,1,0,0|2,0,0]=4 4414 B13R1.528 CNC(=O)CCN1CCCCC1C 34a_100000211376_100012179268 [0,1,0,1,0,0|2,0,0]=4 4415 B13R1.528 CNC(=O)CNC1CCCCC1C 2230a_100000211402_100000183359 [0,1,0,1,0,0|2,0,0]=4 4416 B13R1.528 CNC(=O)CNC1CCCCC1C 269862a_100000693194_100000210921 [0,1,0,1,0,0|2,0,0]=4 4417 B13R1.528 CNC(=O)CNC1CCCCC1C 270004a_100000693194_100000210921 [0,1,0,1,0,0|2,0,0]=4 4418 B13R1.528 CNC(=O)CNC1CCCCC1C 34a_100000211402_100000183359 [0,1,0,1,0,0|2,0,0]=4 4419 B13R1.528 CNC(=O)COC1CCCCC1C 11a_106832991635_100011223357 [0,1,0,1,0,0|2,0,0]=4 4420 B13R1.528 CNC(=O)COC1CCCCC1C 1626a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 4421 B13R1.528 CNC(=O)COC1CCCCC1C 240690a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 4422 B13R1.528 CNC(=O)COC1CCCCC1C 34a_100000211207_100000183359 [0,1,0,1,0,0|2,0,0]=4 4423 B13R1.528 CNC(=O)COC1CCCCC1C 527a_100102657272_100011223357 [0,1,0,1,0,0|2,0,0]=4 4424 B13R1.528 CNC(=O)COC1CCCCC1C 7a_100000211207_100000183359 [0,1,0,1,0,0|2,0,0]=4 4425 B13R1.528 COC(=O)CCN1CCCCC1C 2230a_100000211376_100000204255 [0,1,0,1,0,0|1,0,0]=3 4426 B13R1.528 COC(=O)CCN1CCCCC1C 269982a_100000211376_100000204255 [0,1,0,1,0,0|1,0,0]=3 4427 B13R1.528 COC(=O)CCN1CCCCC1C 34a_100000211376_100000742370 [0,1,0,1,0,0|1,0,0]=3 4428 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 2230a_100009815349_100000204255 [0,1,0,1,0,0|2,0,0]=4 4429 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 269982a_100009815349_100000204255 [0,1,0,1,0,0|2,0,0]=4 4430 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C 34a_100009815349_100000742370 [0,1,0,1,0,0|2,0,0]=4 4431 B13R1.528 COC(=O)CNC1CCCCC1C 2230a_100000211402_100000747449 [0,1,0,1,0,0|1,0,0]=3 4432 B13R1.528 COC(=O)CNC1CCCCC1C 34a_100000211402_100000747449 [0,1,0,1,0,0|1,0,0]=3 4433 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747449 [0,1,0,1,0,0|2,0,0]=4 4434 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000747449 [0,1,0,1,0,0|2,0,0]=4 4435 B13R1.528 COC(=O)COC1CCCCC1C 34a_100000211207_100000747449 [0,1,0,1,0,0|1,0,0]=3 4436 B13R1.528 COC(=O)COC1CCCCC1C 7a_100000211207_100000747449 [0,1,0,1,0,0|1,0,0]=3 4437 B13R1.528 COC(=O)COC1CCCCC1Cl 34a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 4438 B13R1.528 COC(=O)COC1CCCCC1Cl 7a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 4439 B13R1.528 COC(=O)COC1CCNCC1C 34a_100011998114_100000747449 [0,1,0,1,0,0|2,0,0]=4 4440 B13R1.528 COC(=O)COC1CNCCC1C 34a_100000696640_100000747449 [0,1,0,1,0,0|2,0,0]=4 4441 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000747449 [0,1,0,1,0,0|2,0,0]=4 4442 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000747449 [0,1,0,1,0,0|2,0,0]=4 4443 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000747449 [0,1,0,1,0,0|2,0,0]=4 4444 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100000747449_100015423560 [0,1,0,1,0,0|2,0,0]=4 4445 B13R1.528 COC(=O)CSC1CCCCC1F 62a_100015423560_100000747449 [0,1,0,1,0,0|2,0,0]=4 4446 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000038908_100000747449 [0,1,0,1,0,0|2,0,0]=4 4447 B13R1.528 COC(=O)CSC1CCCCC1O 62a_100000747449_100000038908 [0,1,0,1,0,0|2,0,0]=4 4448 B13R1.528 O=C(CO)NCC1CCCCC1O 240690a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 4449 B13R1.528 O=C(CO)NCC1CCCCC1O 527a_100011216029_100000210174 [0,1,0,1,0,0|2,0,0]=4 4450 B13R1.1198 CCCCC(CC)OC1CCC1=O 34a_100011215227_100009892977 [0,1,0,1,0,0|2,0,0]=4 4451 B13R1.1198 CCCCC(CC)OC1CCC1=O 7a_100011215227_100009892977 [0,1,0,1,0,0|2,0,0]=4 4452 B13R1.1198 CCCCC(CC)SC1CCC1=O 62a_100009892977_200011216223 [0,1,0,1,0,0|2,0,0]=4 4453 B13R1.1198 CCCCC(CC)SC1CCC1=O 62a_200011216223_100009892977 [0,1,0,1,0,0|2,0,0]=4 4454 B13R1.1602 CCCCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210211 [0,1,0,1,0,0|2,0,0]=4 4455 B13R1.1602 CCCCN1CCC(=O)N(CC1)C 269982a_100020591582_100000210211 [0,1,0,1,0,0|2,0,0]=4 4456 B13R1.1602 CCCCN1CCC(=O)N(CC1)C 34a_100020591582_100000210210 [0,1,0,1,0,0|2,0,0]=4 4457 B13R1.1711 C#CC(=O)CCN1CCCCCC1 1458a_100000211873_100000722644 [0,1,0,1,0,0|2,0,0]=4 4458 B13R1.1711 C=CC(=O)CCN1CCCCCC1 1458a_100000185746_100000722644 [0,1,0,1,0,0|2,0,0]=4 4459 B13R1.1711 C=CC(=O)NCC1CCCCCC1 1626a_100015204231_100000185746 [0,1,0,1,0,0|2,0,0]=4 4460 B13R1.1711 C=CC(=O)NCC1CCCCCC1 240690a_100015204231_200121576911 [0,1,0,1,0,0|2,0,0]=4 4461 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000210414_100000722644 [0,1,0,1,0,0|2,0,0]=4 4462 B13R1.1711 CCC(=O)CCN1CCCCCC1 1458a_100000740320_100000210202 [0,1,0,1,0,0|2,0,0]=4 4463 B13R1.1711 CCC(=O)COC1CCCCCC1 34a_100000725409_100011217769 [0,1,0,1,0,0|2,0,0]=4 4464 B13R1.1711 CCC(=O)COC1CCCCCC1 7a_100000210887_100000747405 [0,1,0,1,0,0|2,0,0]=4 4465 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100000747405_100011217769 [0,1,0,1,0,0|2,0,0]=4 4466 B13R1.1711 CCC(=O)CSC1CCCCCC1 62a_100011217769_100000747405 [0,1,0,1,0,0|2,0,0]=4 4467 B13R1.1711 CCC(=O)NCC1CCCCCC1 11a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 4468 B13R1.1711 CCC(=O)NCC1CCCCCC1 1626a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 4469 B13R1.1711 CCC(=O)NCC1CCCCCC1 240690a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 4470 B13R1.1711 CCC(=O)NCC1CCCCCC1 527a_100015204231_100000210414 [0,1,0,1,0,0|2,0,0]=4 4471 B13R1.1711 CNC(=O)CCN1CCCCCC1 2230a_100000185865_100000737683 [0,1,0,1,0,0|2,0,0]=4 4472 B13R1.1711 CNC(=O)CCN1CCCCCC1 240690a_100102657272_100000740320 [0,1,0,1,0,0|2,0,0]=4 4473 B13R1.1711 CNC(=O)CCN1CCCCCC1 269982a_100000185865_100000737683 [0,1,0,1,0,0|2,0,0]=4 4474 B13R1.1711 CNC(=O)CCN1CCCCCC1 34a_100000185865_100012179268 [0,1,0,1,0,0|2,0,0]=4 4475 B13R1.1711 CNC(=O)CNC1CCCCCC1 2230a_100000210984_100000183359 [0,1,0,1,0,0|2,0,0]=4 4476 B13R1.1711 CNC(=O)CNC1CCCCCC1 270004a_100000693194_100000210131 [0,1,0,1,0,0|2,0,0]=4 4477 B13R1.1711 CNC(=O)CNC1CCCCCC1 34a_100000210984_100000183359 [0,1,0,1,0,0|2,0,0]=4 4478 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000210887_100000183359 [0,1,0,1,0,0|2,0,0]=4 4479 B13R1.1711 CNC(=O)COC1CCCCCC1 34a_100000750040_100011217769 [0,1,0,1,0,0|2,0,0]=4 4480 B13R1.1711 CNC(=O)COC1CCCCCC1 7a_100000210887_100000183359 [0,1,0,1,0,0|2,0,0]=4 4481 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100000183359_100011217769 [0,1,0,1,0,0|2,0,0]=4 4482 B13R1.1711 CNC(=O)CSC1CCCCCC1 62a_100011217769_100000183359 [0,1,0,1,0,0|2,0,0]=4 4483 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100015204231_106832991635 [0,1,0,1,0,0|2,0,0]=4 4484 B13R1.1711 CNC(=O)NCC1CCCCCC1 2708a_100102657272_100015204231 [0,1,0,1,0,0|2,0,0]=4 4485 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100015204231_100102657272 [0,1,0,1,0,0|2,0,0]=4 4486 B13R1.1711 CNC(=O)NCC1CCCCCC1 273464a_100102657272_100015204231 [0,1,0,1,0,0|2,0,0]=4 4487 B13R1.1711 CNC(=O)NCC1CCCCCC1 512a_106832991638_100015204231 [0,1,0,1,0,0|2,0,0]=4 4488 B13R1.1711 COC(=O)CCN1CCCCCC1 2230a_100000185865_100000204255 [0,1,0,1,0,0|1,0,0]=3 4489 B13R1.1711 COC(=O)CCN1CCCCCC1 269982a_100000185865_100000204255 [0,1,0,1,0,0|1,0,0]=3 4490 B13R1.1711 COC(=O)CCN1CCCCCC1 34a_100000185865_100000742370 [0,1,0,1,0,0|1,0,0]=3 4491 B13R1.1711 COC(=O)CCN1CCCOCC1 2230a_100000685342_100000204255 [0,1,0,1,0,0|2,0,0]=4 4492 B13R1.1711 COC(=O)CCN1CCCOCC1 269982a_100000685342_100000204255 [0,1,0,1,0,0|2,0,0]=4 4493 B13R1.1711 COC(=O)CCN1CCCOCC1 34a_100000685342_100000742370 [0,1,0,1,0,0|2,0,0]=4 4494 B13R1.1711 COC(=O)CNC1CCCCCC1 2230a_100000210984_100000747449 [0,1,0,1,0,0|1,0,0]=3 4495 B13R1.1711 COC(=O)CNC1CCCCCC1 34a_100000210984_100000747449 [0,1,0,1,0,0|1,0,0]=3 4496 B13R1.1711 COC(=O)COC1CCCCCC1 34a_100000210887_100000747449 [0,1,0,1,0,0|1,0,0]=3 4497 B13R1.1711 COC(=O)COC1CCCCCC1 7a_100000210887_100000747449 [0,1,0,1,0,0|1,0,0]=3 4498 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100000747449_100011217769 [0,1,0,1,0,0|1,0,0]=3 4499 B13R1.1711 COC(=O)CSC1CCCCCC1 62a_100011217769_100000747449 [0,1,0,1,0,0|1,0,0]=3 4500 B13R1.1711 O=C(CF)CCN1CCCCCC1 1458a_100000740320_100015361967 [0,1,0,1,0,0|2,0,0]=4 4501 B13R1.1711 O=C(CO)CCN1CCCCCC1 1458a_100000210174_100000722644 [0,1,0,1,0,0|1,0,0]=3 4502 B13R1.1711 O=C(CO)NCC1CCCCCC1 240690a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 4503 B13R1.1711 O=C(CO)NCC1CCCCCC1 527a_100015204231_100000210174 [0,1,0,1,0,0|1,0,0]=3 4504 B13R1.1950 COCCC1(CC1)NCC(=O)OC 2230a_100020603293_100000747449 [0,1,0,1,0,0|2,0,0]=4 4505 B13R1.1950 COCCC1(CC1)NCC(=O)OC 34a_100020603293_100000747449 [0,1,0,1,0,0|2,0,0]=4 4506 B13R1.2035 CCN(CCC(=O)NC)C1CCC1 2230a_100000758130_100000737683 [0,1,0,1,0,0|2,0,0]=4 4507 B13R1.2035 CCN(CCC(=O)NC)C1CCC1 269982a_100000758130_100000737683 [0,1,0,1,0,0|2,0,0]=4 4508 B13R1.2035 CCN(CCC(=O)OC)C1CCC1 2230a_100000758130_100000204255 [0,1,0,1,0,0|1,0,0]=3 4509 B13R1.2035 CCN(CCC(=O)OC)C1CCC1 269982a_100000229097_100000749161 [0,1,0,1,0,0|1,0,0]=3 4510 B13R1.2035 CCN(CCC(=O)OC)C1CCC1 269982a_100000758130_100000204255 [0,1,0,1,0,0|1,0,0]=3 4511 B13R1.2035 CCN(CCC(=O)OC)C1CCC1 270004a_100000229097_100000241760 [0,1,0,1,0,0|1,0,0]=3 4512 B13R1.2035 CCN(CCC(=O)OC)C1COC1 2230a_200015199590_100000204255 [0,1,0,1,0,0|2,0,0]=4 4513 B13R1.2035 CCN(CCC(=O)OC)C1COC1 269982a_100000229097_100000687716 [0,1,0,1,0,0|2,0,0]=4 4514 B13R1.2035 CCN(CCC(=O)OC)C1COC1 269982a_200015199590_100000204255 [0,1,0,1,0,0|2,0,0]=4 4515 B13R1.2037 CCN(CCC(=O)OC)CC1CC1 2230a_100000229097_100000742324 [0,1,0,1,0,0|1,0,0]=3 4516 B13R1.2037 CCN(CCC(=O)OC)CC1CC1 269982a_100000229097_100000756562 [0,1,0,1,0,0|1,0,0]=3 4517 B13R1.2037 CCN(CCC(=O)OC)CC1CO1 2230a_100000229097_100011216344 [0,1,0,1,0,0|2,0,0]=4 4518 B13R1.2037 CCN(CCC(=O)OC)CC1CO1 269982a_100000229097_102125554688 [0,1,0,1,0,0|2,0,0]=4 4519 B13R1.2037 CCN(CCC(=O)OC)CC1CS1 269982a_100000229097_100000031435 [0,1,0,1,0,0|2,0,0]=4 4520 B13R1.2037 CCN(CCC(=O)OC)C[C@@H]1CO1 269982a_100000229097_100000745022 [0,1,0,1,0,0|2,0,0]=4 4521 B13R1.2431 C=CC(=O)N1CC(CCC1C)CC 1626a_100011219223_100000185746 [0,1,0,1,0,0|2,0,0]=4 4522 B13R1.2431 C=CC(=O)N1CC(CCC1C)CC 240690a_100011219223_200121576911 [0,1,0,1,0,0|2,0,0]=4 4523 B13R1.2431 CCC(=O)N1CC(CCC1C)CC 11a_100011219223_100000210414 [0,1,0,1,0,0|2,0,0]=4 4524 B13R1.2431 CCC(=O)N1CC(CCC1C)CC 1626a_100011219223_100000210414 [0,1,0,1,0,0|2,0,0]=4 4525 B13R1.2431 CCC(=O)N1CC(CCC1C)CC 240690a_100011219223_100000210414 [0,1,0,1,0,0|2,0,0]=4 4526 B13R1.2431 CCC(=O)N1CC(CCC1C)CC 527a_100011219223_100000210414 [0,1,0,1,0,0|2,0,0]=4 4527 B13R1.2431 CCC1CCC(N(C1)C(=O)CO)C 240690a_100011219223_100000210174 [0,1,0,1,0,0|1,0,0]=3 4528 B13R1.2431 CCC1CCC(N(C1)C(=O)CO)C 527a_100011219223_100000210174 [0,1,0,1,0,0|1,0,0]=3 4529 B13R1.2431 CCC1CCC(N(C1)C(=O)NC)C 2708a_100102657272_100011219223 [0,1,0,1,0,0|2,0,0]=4 4530 B13R1.2431 CCC1CCC(N(C1)C(=O)NC)C 273464a_100102657272_100011219223 [0,1,0,1,0,0|2,0,0]=4 4531 B13R1.2431 CCN1CCC(C(C1)C(=O)OC)O 2230a_200103168510_100000210202 [0,1,0,1,0,0|2,0,0]=4 4532 B13R1.2431 CCN1CCC(C(C1)C(=O)OC)O 269982a_200103168510_100000204670 [0,1,0,1,0,0|2,0,0]=4 4533 B13R1.3001 CCN1C[C@H](C[C@@H]1C(=O)OC)OC 2230a_100102420086_100000210202 [0,1,0,1,0,0|2,0,0]=4 4534 B13R1.3001 CCN1C[C@H](C[C@@H]1C(=O)OC)OC 269982a_100102420086_100000204670 [0,1,0,1,0,0|2,0,0]=4 4535 B13R1.4713 CCC(=O)COC1(CCCC1)CC 7a_100000752416_100000747405 [0,1,0,1,0,0|2,0,0]=4 4536 B13R1.4713 CCC1(CCCC1)NCC(=O)NC 2230a_100015183760_100000183359 [0,1,0,1,0,0|2,0,0]=4 4537 B13R1.4713 CCC1(CCCC1)NCC(=O)OC 2230a_100015183760_100000747449 [0,1,0,1,0,0|1,0,0]=3 4538 B13R1.4713 CCC1(CCCC1)OCC(=O)NC 7a_100000752416_100000183359 [0,1,0,1,0,0|2,0,0]=4 4539 B13R1.4713 CCC1(CCCC1)OCC(=O)OC 7a_100000752416_100000747449 [0,1,0,1,0,0|1,0,0]=3 4540 B13R1.4713 COC(=O)CNC1(CCCC1)CO 2230a_100000749328_100000747449 [0,1,0,1,0,0|2,0,0]=4 4541 B13R1.4713 COC(=O)CNC1(CCCC1)CO 34a_100000749328_100000747449 [0,1,0,1,0,0|2,0,0]=4 4542 B13R1.4713 COC(=O)COC1(CCCC1)CN 34a_100000737848_100000747449 [0,1,0,1,0,0|2,0,0]=4 4543 B13R1.4713 O=C(CO)NCC1(CCCC1)CO 240690a_100000699429_100000210174 [0,1,0,1,0,0|2,0,0]=4 4544 B13R1.4713 O=C(CO)NCC1(CCCC1)CO 527a_100000699429_100000210174 [0,1,0,1,0,0|2,0,0]=4 4545 B13R1.59 CCC1CCC(C1)N[C@H](C)C(=O)N 270004a_100000119354_100011218773 [0,1,0,1,0,0|2,0,0]=4 4546 B13R1.59 CCN1CCC(C1)N[C@@H](C)C(=O)O 269956a_100000743915_200011861547 [0,1,0,1,0,0|2,0,0]=4 4547 B13R1.89 CCC1CCCCN1C(C)C(=O)C 2230a_100000210034_100009814033 [0,1,0,1,0,0|2,0,0]=4 4548 B13R1.89 CCC1CCCCN1C(C)C(=O)C 269982a_100000210034_100009814033 [0,1,0,1,0,0|2,0,0]=4 4549 B13R1.89 CCC1CCCCN1C(C)C(=O)N 2230a_100000210034_100000702099 [0,1,0,1,0,0|2,0,0]=4 4550 B13R1.89 CCC1CCCCN1C(C)C(=O)N 269982a_100000210034_100000184083 [0,1,0,1,0,0|2,0,0]=4 4551 B13R1.89 CCC1CCCCN1C(C)C(=O)N 34a_100000210034_100000702099 [0,1,0,1,0,0|2,0,0]=4 4552 B13R1.89 CCC1CCCCN1C(F)C(=O)N 2230a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 4553 B13R1.89 CCC1CCCCN1C(F)C(=O)N 269982a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 4554 B13R1.89 CCC1CCCCN1C(F)C(=O)N 34a_100000210034_100009813875 [0,1,0,1,0,0|2,0,0]=4 4555 B13R1.89 CCC1CCCCN1C(F)C(=O)[O-] 34a_100000210034_100020610796 [0,1,0,1,0,0|1,0,1]=4 4556 B13R1.133 CC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009814033 [0,1,0,1,0,0|2,0,0]=4 4557 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 34a_100000212229_200011216234 [0,1,0,1,0,0|2,0,0]=4 4558 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 7a_100000210714_100000179758 [0,1,0,1,0,0|2,0,0]=4 4559 B13R1.133 CC(=O)C(C)SC1CCC(CC1)C 62a_100009814033_200011216234 [0,1,0,1,0,0|2,0,0]=4 4560 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 2230a_100020625639_100000702099 [0,1,0,1,0,0|2,0,0]=4 4561 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 34a_100020625639_100000702099 [0,1,0,1,0,0|2,0,0]=4 4562 B13R1.133 CC1CCC(CC1)N[C@@H](C)C(=O)O 269956a_100000743915_200011216234 [0,1,0,1,0,0|1,0,0]=3 4563 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 270004a_100000119354_100000185489 [0,1,0,1,0,0|2,0,0]=4 4564 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 34a_100000119354_200011216234 [0,1,0,1,0,0|2,0,0]=4 4565 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 34a_100000210714_100000702099 [0,1,0,1,0,0|2,0,0]=4 4566 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 7a_100000210714_100000702099 [0,1,0,1,0,0|2,0,0]=4 4567 B13R1.133 CC1CCC(CC1)OC(F)C(=O)N 34a_100000210714_100009813875 [0,1,0,1,0,0|2,0,0]=4 4568 B13R1.133 CC1CCC(CC1)OC(F)C(=O)N 7a_100000210714_100009813875 [0,1,0,1,0,0|2,0,0]=4 4569 B13R1.133 CC1CCC(CC1)OC(F)C(=O)[O-] 34a_100000210714_100020610796 [0,1,0,1,0,0|1,0,1]=4 4570 B13R1.133 CC1CCC(CC1)O[C@H](C)C(=O)N 34a_100000731257_200011216234 [0,1,0,1,0,0|2,0,0]=4 4571 B13R1.133 CC1CCC(CC1)SC(C)C(=O)N 62a_100000702099_200011216234 [0,1,0,1,0,0|2,0,0]=4 4572 B13R1.133 CC1CCC(CC1)SC(F)C(=O)N 62a_100009813875_200011216234 [0,1,0,1,0,0|2,0,0]=4 4573 B13R1.133 CC1CCC(CC1)SC(F)C(=O)[O-] 62a_100020610796_200011216234 [0,1,0,1,0,0|1,0,1]=4 4574 B13R1.133 C[C@H](NC1CCN(CC1)C)C(=O)O 269956a_100000743915_100011215917 [0,1,0,1,0,0|2,0,0]=4 4575 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 2230a_100020625639_100009813875 [0,1,0,1,0,0|2,0,0]=4 4576 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 34a_100020625639_100009813875 [0,1,0,1,0,0|2,0,0]=4 4577 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)[O-] 34a_100020625639_100020610796 [0,1,0,1,0,0|1,0,1]=4 4578 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100009814033 [0,1,0,1,0,0|2,0,0]=4 4579 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,1,0,1,0,0|2,0,0]=4 4580 B13R1.202 CC(NC1CCCCC1C)C(=O)N 2230a_100000211402_100000702099 [0,1,0,1,0,0|2,0,0]=4 4581 B13R1.202 CC(NC1CCCCC1C)C(=O)N 34a_100000211402_100000702099 [0,1,0,1,0,0|2,0,0]=4 4582 B13R1.202 CC(OC1CCCCC1C)C(=O)N 34a_100000211207_100000702099 [0,1,0,1,0,0|2,0,0]=4 4583 B13R1.202 CC(OC1CCCCC1C)C(=O)N 7a_100000211207_100000702099 [0,1,0,1,0,0|2,0,0]=4 4584 B13R1.202 CC1CCCCC1NC(F)C(=O)N 2230a_100000211402_100009813875 [0,1,0,1,0,0|2,0,0]=4 4585 B13R1.202 CC1CCCCC1NC(F)C(=O)N 34a_100000211402_100009813875 [0,1,0,1,0,0|2,0,0]=4 4586 B13R1.202 CC1CCCCC1NC(F)C(=O)[O-] 34a_100000211402_100020610796 [0,1,0,1,0,0|1,0,1]=4 4587 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000210921 [0,1,0,1,0,0|2,0,0]=4 4588 B13R1.202 CC1CCCCC1OC(F)C(=O)N 34a_100000211207_100009813875 [0,1,0,1,0,0|2,0,0]=4 4589 B13R1.202 CC1CCCCC1OC(F)C(=O)N 7a_100000211207_100009813875 [0,1,0,1,0,0|2,0,0]=4 4590 B13R1.202 CC1CCCCC1OC(F)C(=O)[O-] 34a_100000211207_100020610796 [0,1,0,1,0,0|1,0,1]=4 4591 B13R1.202 C[C@H](NC1CCCCC1F)C(=O)O 269956a_100000743915_100015423560 [0,1,0,1,0,0|2,0,0]=4 4592 B13R1.202 C[C@H](NC1CCCCC1O)C(=O)O 269956a_100000743915_100000038908 [0,1,0,1,0,0|2,0,0]=4 4593 B13R1.5996 CCC1(CCCC1)NC(C)C(=O)C 2230a_100015183760_100009814033 [0,1,0,1,0,0|2,0,0]=4 4594 B13R1.5996 CCC1(CCCC1)NC(C)C(=O)N 2230a_100015183760_100000702099 [0,1,0,1,0,0|2,0,0]=4 4595 B13R1.5996 CCC1(CCCC1)NC(F)C(=O)N 2230a_100015183760_100009813875 [0,1,0,1,0,0|2,0,0]=4 4596 B13R1.5996 CCC1(CCCC1)OC(C)C(=O)C 7a_100000752416_100000179758 [0,1,0,1,0,0|2,0,0]=4 4597 B13R1.5996 CCC1(CCCC1)OC(C)C(=O)N 7a_100000752416_100000702099 [0,1,0,1,0,0|2,0,0]=4 4598 B13R1.5996 CCC1(CCCC1)OC(F)C(=O)N 7a_100000752416_100009813875 [0,1,0,1,0,0|2,0,0]=4 4599 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100009814033 [0,1,0,1,0,0|2,0,0]=4 4600 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,1,0,1,0,0|2,0,0]=4 4601 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,1,0,1,0,0|2,0,0]=4 4602 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100009814033_100011217769 [0,1,0,1,0,0|2,0,0]=4 4603 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100011217769_100009814033 [0,1,0,1,0,0|2,0,0]=4 4604 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 2230a_100000210984_100000702099 [0,1,0,1,0,0|2,0,0]=4 4605 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 34a_100000210984_100000702099 [0,1,0,1,0,0|2,0,0]=4 4606 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 34a_100000210887_100000702099 [0,1,0,1,0,0|2,0,0]=4 4607 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 7a_100000210887_100000702099 [0,1,0,1,0,0|2,0,0]=4 4608 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100000702099_100011217769 [0,1,0,1,0,0|2,0,0]=4 4609 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100011217769_100000702099 [0,1,0,1,0,0|2,0,0]=4 4610 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 270004a_100000119354_100000210131 [0,1,0,1,0,0|2,0,0]=4 4611 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 34a_100000119354_100011217769 [0,1,0,1,0,0|2,0,0]=4 4612 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N 34a_100000731257_100011217769 [0,1,0,1,0,0|2,0,0]=4 4613 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O 269956a_100000743915_100011217769 [0,1,0,1,0,0|1,0,0]=3 4614 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100009813875 [0,1,0,1,0,0|2,0,0]=4 4615 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 34a_100000210984_100009813875 [0,1,0,1,0,0|2,0,0]=4 4616 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 34a_100000210887_100009813875 [0,1,0,1,0,0|2,0,0]=4 4617 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 7a_100000210887_100009813875 [0,1,0,1,0,0|2,0,0]=4 4618 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100009813875_100011217769 [0,1,0,1,0,0|2,0,0]=4 4619 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100011217769_100009813875 [0,1,0,1,0,0|2,0,0]=4 4620 B13R1.6192 O=C([O-])C(F)NC1CCCCCC1 34a_100000210984_100020610796 [0,1,0,1,0,0|1,0,1]=4 4621 B13R1.6192 O=C([O-])C(F)OC1CCCCCC1 34a_100000210887_100020610796 [0,1,0,1,0,0|1,0,1]=4 4622 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100011217769_100020610796 [0,1,0,1,0,0|1,0,1]=4 4623 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100020610796_100011217769 [0,1,0,1,0,0|1,0,1]=4 4624 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 2230a_100000704638_100000747473 [0,1,0,1,0,0|2,0,0]=4 4625 B13R1.8682 CC1(CCCCCC1)NCC(=O)N 34a_100000704638_100000187820 [0,1,0,1,0,0|2,0,0]=4 4626 B13R1.8682 CC1(CCCCCC1)NCC(=O)[O-] 34a_100000704638_100020667443 [0,1,0,1,0,0|1,0,1]=4 4627 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 34a_100000708895_100000187820 [0,1,0,1,0,0|2,0,0]=4 4628 B13R1.8682 CC1(CCCCCC1)OCC(=O)N 7a_100000708895_100000187820 [0,1,0,1,0,0|2,0,0]=4 4629 B13R1.8682 CC1(CCCCCC1)OCC(=O)[O-] 34a_100000708895_100020667443 [0,1,0,1,0,0|1,0,1]=4 4630 B13R1.341 CC(=O)CCN1CCC(CC1)(C)C 269982a_100000750138_100000053229 [0,1,0,1,0,0|2,0,0]=4 4631 B13R1.341 CC(=O)CCN1CCC(CC1)(C)O 269982a_100000690209_100000053229 [0,1,0,1,0,0|2,0,0]=4 4632 B13R1.341 CC1(CCC(CC1)NCC(=O)N)C 2230a_100000757809_100000747473 [0,1,0,1,0,0|2,0,0]=4 4633 B13R1.341 CC1(CCC(CC1)NCC(=O)N)C 34a_100000757809_100000187820 [0,1,0,1,0,0|2,0,0]=4 4634 B13R1.341 CC1(CCC(CC1)NCC(=O)[O-])C 34a_100000757809_100020667443 [0,1,0,1,0,0|1,0,1]=4 4635 B13R1.341 CC1(CCC(CC1)OCC(=O)N)C 34a_100000703974_100000187820 [0,1,0,1,0,0|2,0,0]=4 4636 B13R1.341 CC1(CCC(CC1)OCC(=O)N)C 7a_100000703974_100000187820 [0,1,0,1,0,0|2,0,0]=4 4637 B13R1.341 CC1(CCC(CC1)OCC(=O)[O-])C 34a_100000703974_100020667443 [0,1,0,1,0,0|1,0,1]=4 4638 B13R1.341 CC1(CCN(CC1)CCC(=O)N)C 2230a_100000750138_100000744528 [0,1,0,1,0,0|2,0,0]=4 4639 B13R1.341 CC1(CCN(CC1)CCC(=O)N)C 269982a_100000750138_100000744528 [0,1,0,1,0,0|2,0,0]=4 4640 B13R1.341 CC1(CCN(CC1)CCC(=O)N)O 2230a_100000690209_100000744528 [0,1,0,1,0,0|2,0,0]=4 4641 B13R1.341 CC1(CCN(CC1)CCC(=O)N)O 269982a_100000690209_100000744528 [0,1,0,1,0,0|2,0,0]=4 4642 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)N)O 2230a_202125554758_100000747473 [0,1,0,1,0,0|2,0,0]=4 4643 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)N)O 34a_202125554758_100000187820 [0,1,0,1,0,0|2,0,0]=4 4644 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)[O-])O 34a_202125554758_100020667443 [0,1,0,1,0,0|1,0,1]=4 4645 B13R1.341 O=C(O)CNC1CCC(CC1)(F)F 269956a_100016091260_100009865109 [0,1,0,1,0,0|2,0,0]=4 4646 B13R1.1985 C=C(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000748629 [0,1,0,1,0,0|1,0,1]=4 4647 B13R1.1985 CC(C)CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210312 [0,1,0,1,0,0|2,0,0]=4 4648 B13R1.1985 CC(C)CCN1CCC(C1)C(=O)N 269982a_100000752358_100000210312 [0,1,0,1,0,0|2,0,0]=4 4649 B13R1.1985 CC(C)CCN1CCC(C1)C(=O)N 34a_100000752358_100000210312 [0,1,0,1,0,0|2,0,0]=4 4650 B13R1.1985 CC(C)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210760 [0,1,0,1,0,0|1,0,0]=3 4651 B13R1.1985 CC(O)CCN1CCC(C1)C(=O)N 2230a_100000752358_100012276601 [0,1,0,1,0,0|2,0,0]=4 4652 B13R1.1985 CC(O)CCN1CCC(C1)C(=O)N 269982a_100000752358_100012276601 [0,1,0,1,0,0|2,0,0]=4 4653 B13R1.1985 CC(O)CCN1CCC(C1)C(=O)N 34a_100000752358_100012276601 [0,1,0,1,0,0|2,0,0]=4 4654 B13R1.1985 CC(O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011218427 [0,1,0,1,0,0|1,0,0]=3 4655 B13R1.1985 C[C@@H](O)CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100009817552 [0,1,0,1,0,0|1,0,0]=3 4656 B13R1.1985 O=C(O)[C@@H]1CC[C@@H](C1)NCC(F)F 269956a_100015195206_100011934356 [0,1,0,1,0,0|2,0,0]=4 4657 B13R1.7643 CC(=O)CCN1CCC(C1C)(C)C 269982a_100102837566_100000053229 [0,1,0,1,0,0|2,0,0]=4 4658 B13R1.7643 CC1N(CCC1(C)C)CCC(=O)N 2230a_100102837566_100000744528 [0,1,0,1,0,0|2,0,0]=4 4659 B13R1.7643 CC1N(CCC1(C)C)CCC(=O)N 269982a_100102837566_100000744528 [0,1,0,1,0,0|2,0,0]=4 4660 B13R1.7643 CC1N(CCC1(C)C)CCC(=O)N 34a_100102837566_100000731001 [0,1,0,1,0,0|2,0,0]=4 4661 B13R2.147 CC1CCN(CC1)C2CC(=O)C2 269982a_100000188429_100009894365 [0,0,0,2,0,0|2,0,0]=4 4662 B13R2.1287 NC(=O)CN1CC2CCC1CC2 2230a_100000750499_100000747473 [0,0,0,2,0,0|2,0,0]=4 4663 B13R2.1287 NC(=O)CN1CC2CCC1CC2 269982a_100000750499_100000187820 [0,0,0,2,0,0|2,0,0]=4 4664 B13R2.1287 NC(=O)CN1CC2CCC1CC2 34a_100000750499_100000187820 [0,0,0,2,0,0|2,0,0]=4 4665 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 269982a_100000750499_100020667443 [0,0,0,2,0,0|1,0,1]=4 4666 B13R2.1287 O=C([O-])CN1CC2CCC1CC2 34a_100000750499_100020667443 [0,0,0,2,0,0|1,0,1]=4 4667 B13R2.5120 CN1CCC2(CCC(=O)N2)CC1 2230a_100016994586_200000210301 [0,0,0,2,0,0|2,0,0]=4 4668 B13R2.5120 CN1CCC2(CCC(=O)N2)CC1 269982a_100016994586_200000210301 [0,0,0,2,0,0|2,0,0]=4 4669 B13R2.5120 CN1CCC2(CCC(=O)N2)CC1 34a_100016994586_200000210301 [0,0,0,2,0,0|2,0,0]=4 4670 B13R2.5120 CN1CCC2(CCC(=O)O2)CC1 2230a_100015191184_200000210301 [0,0,0,2,0,0|1,0,0]=3 4671 B13R2.5120 CN1CCC2(CCC(=O)O2)CC1 269982a_100015191184_200000210301 [0,0,0,2,0,0|1,0,0]=3 4672 B13R2.5120 CN1CCC2(CCC(=O)O2)CC1 34a_100015191184_200000210301 [0,0,0,2,0,0|1,0,0]=3 4673 B13R2.5120 [13CH3]N1CCC2(CCC(=O)N2)CC1 2230a_100016994586_200025704644 [0,0,0,2,0,0|2,0,0]=4 4674 B13R2.5120 [13CH3]N1CCC2(CCC(=O)N2)CC1 269982a_100016994586_200025704644 [0,0,0,2,0,0|2,0,0]=4 4675 B13R2.5120 [13CH3]N1CCC2(CCC(=O)N2)CC1 34a_100016994586_200025704644 [0,0,0,2,0,0|2,0,0]=4 4676 B13R2.5120 [13CH3]N1CCC2(CCC(=O)O2)CC1 2230a_100015191184_200025704644 [0,0,0,2,0,0|1,0,0]=3 4677 B13R2.5120 [13CH3]N1CCC2(CCC(=O)O2)CC1 269982a_100015191184_200025704644 [0,0,0,2,0,0|1,0,0]=3 4678 B13R2.5120 [13CH3]N1CCC2(CCC(=O)O2)CC1 34a_100015191184_200025704644 [0,0,0,2,0,0|1,0,0]=3 4679 B13R2.5551 CC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000053229 [0,0,0,2,0,0|2,0,0]=4 4680 B13R2.5551 CC(=O)COC1CC2CCC1C2 34a_100000211253_100000727232 [0,0,0,2,0,0|2,0,0]=4 4681 B13R2.5551 NC(=O)CCN1CC2CCC1C2 2230a_100000743476_100000744528 [0,0,0,2,0,0|2,0,0]=4 4682 B13R2.5551 NC(=O)CCN1CC2CCC1C2 269982a_100000743476_100000744528 [0,0,0,2,0,0|2,0,0]=4 4683 B13R2.5551 NC(=O)CCN1CC2CCC1C2 34a_100000743476_100000731001 [0,0,0,2,0,0|2,0,0]=4 4684 B13R2.5551 NC(=O)CNC1CC2CCC1C2 2230a_100000758229_100000747473 [0,0,0,2,0,0|2,0,0]=4 4685 B13R2.5551 NC(=O)CNC1CC2CCC1C2 34a_100000758229_100000187820 [0,0,0,2,0,0|2,0,0]=4 4686 B13R2.5551 NC(=O)COC1CC2CCC1C2 34a_100000211339_100000187820 [0,0,0,2,0,0|2,0,0]=4 4687 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000727232_100000747473 [0,0,0,2,0,0|2,0,0]=4 4688 B13R2.5551 NC(=O)CSC1CC2CCC1C2 62a_100000747473_100000727232 [0,0,0,2,0,0|2,0,0]=4 4689 B13R2.5551 O=C(O)CNC1CC2CCC1C2 269956a_100016091260_100000727232 [0,0,0,2,0,0|1,0,0]=3 4690 B13R2.5551 O=C([O-])CNC1CC2CCC1C2 34a_100000758229_100020667443 [0,0,0,2,0,0|1,0,1]=4 4691 B13R2.5551 O=C([O-])COC1CC2CCC1C2 34a_100000211339_100020667443 [0,0,0,2,0,0|1,0,1]=4 4692 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100000727232_100020667443 [0,0,0,2,0,0|1,0,1]=4 4693 B13R2.5551 O=C([O-])CSC1CC2CCC1C2 62a_100020667443_100000727232 [0,0,0,2,0,0|1,0,1]=4 4694 B13R2.13902 CC(=O)CCN1CCC2(C1)CC2 269982a_100000697357_100000053229 [0,0,0,2,0,0|2,0,0]=4 4695 B13R2.13902 NC(=O)CCN1CCC2(C1)CC2 2230a_100000697357_100000744528 [0,0,0,2,0,0|2,0,0]=4 4696 B13R2.13902 NC(=O)CCN1CCC2(C1)CC2 269982a_100000697357_100000744528 [0,0,0,2,0,0|2,0,0]=4 4697 B13R2.13902 NC(=O)CCN1CCC2(C1)CC2 34a_100000697357_100000731001 [0,0,0,2,0,0|2,0,0]=4 4698 B13R2.216 CC1CCCCN1C2CC(=O)C2 269982a_100000211376_100009894365 [0,0,0,2,0,0|2,0,0]=4 4699 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,0,0,2,0,0|2,0,0]=4 4700 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,0,0,2,0,0|2,0,0]=4 4701 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,0,0,2,0,0|2,0,0]=4 4702 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,0,0,2,0,0|2,0,0]=4 4703 B13R2.5554 NC(=O)C1CCN(C1)CC2CC2 2230a_100000752358_100000742324 [0,0,0,2,0,0|2,0,0]=4 4704 B13R2.5554 NC(=O)C1CCN(C1)CC2CC2 269982a_100000752358_100000756562 [0,0,0,2,0,0|2,0,0]=4 4705 B13R2.5554 NC(=O)C1CCN(C1)CC2CC2 34a_100000752358_100000742324 [0,0,0,2,0,0|2,0,0]=4 4706 B13R2.5554 O=C(O)[C@@H]1CC[C@@H](C1)NC2CC2 269956a_100015195206_100000211595 [0,0,0,2,0,0|1,0,0]=3 4707 B13R2.5555 NC(=O)C1CCN(C1)C2CCC2 269982a_100000752358_100000749161 [0,0,0,2,0,0|2,0,0]=4 4708 B13R2.5555 NC(=O)C1CCN(C1)C2CCC2 270004a_100000752358_100000241760 [0,0,0,2,0,0|2,0,0]=4 4709 B13R2.5555 NC(=O)C1CCN(C1)C2CCC2 34a_100000752358_100000749161 [0,0,0,2,0,0|2,0,0]=4 4710 B13R2.13989 CC(=O)N1CCC2(C1)CCCC2 11a_100000764703_100015343762 [0,0,0,2,0,0|2,0,0]=4 4711 B13R2.13989 CC(=O)N1CCC2(C1)CCCC2 1626a_100000764703_100015343762 [0,0,0,2,0,0|2,0,0]=4 4712 B13R2.13989 CC(=O)N1CCC2(C1)CCCC2 240690a_100000764703_100015343762 [0,0,0,2,0,0|2,0,0]=4 4713 B13R2.13989 CC(=O)N1CCC2(C1)CCCC2 527a_100000764703_100103153847 [0,0,0,2,0,0|2,0,0]=4 4714 B13R2.11172 O=C1CCN(CCN1)C2CCC2 269982a_100000698595_100000749161 [0,0,0,2,0,0|2,0,0]=4 4715 B13R2.11172 O=C1CCN(CCN1)C2CCC2 270004a_100000698595_100000241760 [0,0,0,2,0,0|2,0,0]=4 4716 B13R2.11178 O=C1CCN(CCN1)CC2CC2 2230a_100000698595_100000742324 [0,0,0,2,0,0|2,0,0]=4 4717 B13R2.11178 O=C1CCN(CCN1)CC2CC2 269982a_100000698595_100000756562 [0,0,0,2,0,0|2,0,0]=4 4718 B13R2.2304 CCN(C1CCC1)C2CC(=O)C2 269982a_100000758130_100009894365 [0,0,0,2,0,0|2,0,0]=4 4719 B13R2.5283 O=C1CC(C1)N2CCCCCC2 269982a_100000185865_100009894365 [0,0,0,2,0,0|2,0,0]=4 4720 B13R2.9585 CCN1CC2(CC2)C[C@H]1C(=O)O 269956a_100025715762_100000210202 [0,0,0,2,0,0|1,0,0]=3 4721 B13R2.9585 O=C(O)[C@@H]1CC2(CC2)CN1CF 269956a_100025715762_100015361967 [0,0,0,2,0,0|2,0,0]=4 4722 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,0,0,1,0|2,0,0]=4 4723 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,0,0,1,0|2,0,0]=4 4724 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,0,0,1,0|2,0,0]=4 4725 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,0,0,1,0|2,0,0]=4 4726 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [1,0,0,0,1,0|2,0,0]=4 4727 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [1,0,0,0,1,0|2,0,0]=4 4728 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [1,0,0,0,1,0|1,0,0]=3 4729 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [1,0,0,0,1,0|1,0,1]=4 4730 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [1,0,0,0,1,0|2,0,0]=4 4731 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [1,0,0,0,1,0|2,0,0]=4 4732 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [1,0,0,0,1,0|2,0,0]=4 4733 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [1,0,0,0,1,0|2,0,0]=4 4734 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [1,0,0,0,1,0|2,0,0]=4 4735 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [1,0,0,0,1,0|1,0,0]=3 4736 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [1,0,0,0,1,0|2,0,0]=4 4737 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [1,0,0,0,1,0|2,0,0]=4 4738 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [1,0,0,0,1,0|2,0,0]=4 4739 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [1,0,0,0,1,0|2,0,0]=4 4740 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [1,0,0,0,1,0|2,0,0]=4 4741 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [1,0,0,0,1,0|2,0,0]=4 4742 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [1,0,0,0,1,0|2,0,0]=4 4743 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [1,0,0,0,1,0|2,0,0]=4 4744 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [1,0,0,0,1,0|2,0,0]=4 4745 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [1,0,0,0,1,0|1,0,0]=3 4746 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [1,0,0,0,1,0|1,0,1]=4 4747 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [1,0,0,0,1,0|2,0,0]=4 4748 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [1,0,0,0,1,0|2,0,0]=4 4749 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [1,0,0,0,1,0|2,0,0]=4 4750 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [1,0,0,0,1,0|2,0,0]=4 4751 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [1,0,0,0,1,0|2,0,0]=4 4752 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [1,0,0,0,1,0|2,0,0]=4 4753 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,0,0,0,2,0|1,0,0]=3 4754 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,0,0,0,2,0|1,0,0]=3 4755 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,0,0,0,2,0|1,0,0]=3 4756 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,0,0,0,2,0|2,0,0]=4 4757 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,0,0,0,2,0|2,0,0]=4 4758 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,0,0,0,2,0|2,0,0]=4 4759 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,0,0,0,2,0|2,0,0]=4 4760 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,0,0,0,2,0|2,0,0]=4 4761 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,0,0,0,2,0|2,0,0]=4 4762 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,0,0,0,2,0|2,0,0]=4 4763 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,0,0,0,2,0|2,0,0]=4 4764 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,0,0,0,2,0|2,0,0]=4 4765 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,0,0,0,2,0|2,0,0]=4 4766 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,0,0,0,2,0|2,0,0]=4 4767 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,0,0,0,2,0|2,0,0]=4 4768 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,0,0,0,2,0|2,0,0]=4 4769 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,0,0,0,2,0|2,0,0]=4 4770 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,0,0,0,2,0|2,0,0]=4 4771 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,0,0,0,2,0|2,0,0]=4 4772 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,0,0,0,2,0|2,0,0]=4 4773 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,0,0,0,2,0|2,0,0]=4 4774 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,0,0,0,2,0|2,0,0]=4 4775 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,0,0,0,2,0|1,0,0]=3 4776 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,0,0,0,2,0|2,0,0]=4 4777 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,0,0,0,2,0|2,0,0]=4 4778 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,0,0,0,2,0|2,0,0]=4 4779 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,0,0,0,2,0|2,0,0]=4 4780 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,0,0,0,2,0|2,0,0]=4 4781 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,0,0,0,2,0|2,0,0]=4 4782 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,0,0,0,2,0|2,0,0]=4 4783 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,0,0,0,2,0|2,0,0]=4 4784 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,0,0,0,2,0|2,0,0]=4 4785 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,0,0,0,2,0|2,0,0]=4 4786 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,0,0,0,2,0|2,0,0]=4 4787 B11R0.45 C=C(C)CCNC(CC)CCC 2230a_100000747048_100000730704 [1,0,0,0,0,1|2,0,0]=4 4788 B11R0.45 C=C(C)CCOC(CC)CCC 34a_100000687864_100000730704 [1,0,0,0,0,1|2,0,0]=4 4789 B11R0.45 C=C(C)CCOC(CC)CCC 7a_100000687864_100000730704 [1,0,0,0,0,1|2,0,0]=4 4790 B11R0.45 C=C(C)CCSC(CC)CCC 62a_100000730704_100011219200 [1,0,0,0,0,1|2,0,0]=4 4791 B11R0.45 C=C(C)CCSC(CC)CCC 62a_100011219200_100000730704 [1,0,0,0,0,1|2,0,0]=4 4792 B11R0.45 CCC(COC)NCCC(=O)N 2230a_100000757820_100000744528 [1,0,0,0,0,1|2,0,0]=4 4793 B11R0.45 CCC(COC)OCCC(=O)C 7a_200011214946_100000053229 [1,0,0,0,0,1|2,0,0]=4 4794 B11R0.45 CCC(COC)OCCC(=O)N 7a_200011214946_100000744528 [1,0,0,0,0,1|2,0,0]=4 4795 B11R0.45 CCCC(CC)NCCC(=O)N 2230a_100000747048_100000744528 [1,0,0,0,0,1|1,0,0]=3 4796 B11R0.45 CCCC(CC)NCCC(C)O 2230a_100000747048_100012276601 [1,0,0,0,0,1|1,0,1]=4 4797 B11R0.45 CCCC(CC)NCCC(C)O 270004a_200000755665_100000687865 [1,0,0,0,0,1|1,0,1]=4 4798 B11R0.45 CCCC(CC)NOCC(=O)O 269956a_100000106656_100011219200 [1,0,0,0,0,1|1,0,0]=3 4799 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000687864_100000053229 [1,0,0,0,0,1|1,0,0]=3 4800 B11R0.45 CCCC(CC)OCCC(=O)C 7a_100000759926_100011219200 [1,0,0,0,0,1|1,0,0]=3 4801 B11R0.45 CCCC(CC)OCCC(=O)N 34a_100000687864_100000731001 [1,0,0,0,0,1|1,0,0]=3 4802 B11R0.45 CCCC(CC)OCCC(=O)N 7a_100000687864_100000744528 [1,0,0,0,0,1|1,0,0]=3 4803 B11R0.45 CCCC(CC)OCCC(=O)N 7a_100000757172_100011219200 [1,0,0,0,0,1|1,0,0]=3 4804 B11R0.45 CCCC(CC)OCCC(C)O 34a_100000687864_100012276601 [1,0,0,0,0,1|1,0,1]=4 4805 B11R0.45 CCCC(CC)OCCC(C)O 7a_100000687864_100012276601 [1,0,0,0,0,1|1,0,1]=4 4806 B11R0.45 CCCC(CC)OCOC(=O)C 34a_100000687864_100009813279 [1,0,0,0,0,1|2,0,0]=4 4807 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100000053229_100011219200 [1,0,0,0,0,1|1,0,0]=3 4808 B11R0.45 CCCC(CC)SCCC(=O)C 62a_100011219200_100000053229 [1,0,0,0,0,1|1,0,0]=3 4809 B11R0.45 CCCC(CC)SCCC(=O)N 62a_100000744528_100011219200 [1,0,0,0,0,1|1,0,0]=3 4810 B11R0.45 CCCC(CC)SCCC(=O)N 62a_100011219200_100000744528 [1,0,0,0,0,1|1,0,0]=3 4811 B11R0.45 CCCC(CC)SCCC(C)O 62a_100011219200_100012276601 [1,0,0,0,0,1|1,0,1]=4 4812 B11R0.45 CCCC(CC)SCCC(C)O 62a_100012276601_100011219200 [1,0,0,0,0,1|1,0,1]=4 4813 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100000076356_100011219200 [1,0,0,0,0,1|2,0,0]=4 4814 B11R0.45 CCCC(CC)SCOC(=O)C 62a_100011219200_100000076356 [1,0,0,0,0,1|2,0,0]=4 4815 B11R0.45 CCCN(CC)CCCC(=O)C 269982a_100000226822_100011215641 [1,0,0,0,0,1|2,0,0]=4 4816 B11R0.45 CCCN(CC)CCCC(=O)N 269982a_100000226822_100102525003 [1,0,0,0,0,1|2,0,0]=4 4817 B11R0.45 CCCN(CC)CCNC(=O)C 2230a_100000226822_100000189650 [1,0,0,0,0,1|2,0,0]=4 4818 B11R0.45 CCCN(CC)CCNC(=O)C 269982a_100000226822_100000189650 [1,0,0,0,0,1|2,0,0]=4 4819 B11R0.45 CCCN(CC)CCNC(=O)N 2230a_100000226822_200000034859 [1,0,0,0,0,1|2,0,0]=4 4820 B11R0.45 CCCN(CC)CCNC(=O)N 269982a_100000226822_200000034859 [1,0,0,0,0,1|2,0,0]=4 4821 B11R0.45 CCCN(CC)CCOC(=O)C 269982a_100000226822_100009814007 [1,0,0,0,0,1|2,0,0]=4 4822 B11R0.45 CCCN(CC)CCOC(=O)N 269982a_100000226822_200011214921 [1,0,0,0,0,1|2,0,0]=4 4823 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 2230a_100000732646_100000744528 [1,0,0,0,0,1|2,0,0]=4 4824 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 34a_100000732646_100000731001 [1,0,0,0,0,1|2,0,0]=4 4825 B11R0.45 CCOC(CC)CNCC(=O)N 2230a_100015183923_100000747473 [1,0,0,0,0,1|2,0,0]=4 4826 B11R0.45 CCOC(CC)CNCC(=O)N 34a_100015183923_100000187820 [1,0,0,0,0,1|2,0,0]=4 4827 B11R0.45 CCOC(CC)CNCC(=O)[O-] 34a_100015183923_100020667443 [1,0,0,0,0,1|1,0,1]=4 4828 B11R0.147 C=C(Br)CCOC(C)CCCC 34a_100009813270_200011215066 [1,0,0,0,0,1|2,0,0]=4 4829 B11R0.147 C=C(C)CCNC(C)CCCC 2230a_100000126638_100000730704 [1,0,0,0,0,1|2,0,0]=4 4830 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000687866_100000730704 [1,0,0,0,0,1|2,0,0]=4 4831 B11R0.147 C=C(C)CCOC(C)CCCC 34a_100000764851_200011215066 [1,0,0,0,0,1|2,0,0]=4 4832 B11R0.147 C=C(C)CCOC(C)CCCC 7a_100000687866_100000730704 [1,0,0,0,0,1|2,0,0]=4 4833 B11R0.147 C=C(C)CCSC(C)CCCC 62a_100000730704_200011215066 [1,0,0,0,0,1|2,0,0]=4 4834 B11R0.147 C=C(C)CCSC(C)CCCC 62a_200011215066_100000730704 [1,0,0,0,0,1|2,0,0]=4 4835 B11R0.147 C=C(C)COCC(C)CCCC 34a_100011995851_100000748629 [1,0,0,0,0,1|2,0,0]=4 4836 B11R0.147 C=C(C)COCC(C)CCCC 7a_100011995851_100000748629 [1,0,0,0,0,1|2,0,0]=4 4837 B11R0.147 C=C(F)COCC(C)CCCC 34a_100011995851_100009893438 [1,0,0,0,0,1|2,0,0]=4 4838 B11R0.147 C=C(F)COCC(C)CCCC 7a_100011995851_100000042424 [1,0,0,0,0,1|2,0,0]=4 4839 B11R0.147 CC(=O)CCOC(C)CCCCl 7a_200000718107_100000053229 [1,0,0,0,0,1|2,0,0]=4 4840 B11R0.147 CC(CCCCl)OCCC(=O)N 34a_200000718107_100000731001 [1,0,0,0,0,1|2,0,0]=4 4841 B11R0.147 CC(CCCCl)OCCC(=O)N 7a_200000718107_100000744528 [1,0,0,0,0,1|2,0,0]=4 4842 B11R0.147 CCCCC(C)COCC(=O)N 34a_100011995851_100000187820 [1,0,0,0,0,1|1,0,0]=3 4843 B11R0.147 CCCCC(C)COCC(=O)N 7a_100011995851_100000187820 [1,0,0,0,0,1|1,0,0]=3 4844 B11R0.147 CCCCC(C)COCC(=O)[O-] 34a_100011995851_100020667443 [1,0,0,0,0,1|0,0,1]=3 4845 B11R0.147 CCCCC(C)COCC(C)O 34a_100011995851_100011218427 [1,0,0,0,0,1|1,0,1]=4 4846 B11R0.147 CCCCC(C)COCC(C)O 7a_100011995851_100011218427 [1,0,0,0,0,1|1,0,1]=4 4847 B11R0.147 CCCCC(C)COC[C@@H](C)O 34a_100011995851_100009817552 [1,0,0,0,0,1|1,0,1]=4 4848 B11R0.147 CCCCC(C)COC[C@@H](C)O 7a_100011995851_100009817552 [1,0,0,0,0,1|1,0,1]=4 4849 B11R0.147 CCCCC(C)COC[N+](=O)[O-] 34a_100011995851_100000761209 [1,0,0,0,0,1|1,0,1]=4 4850 B11R0.147 CCCCC(C)NCCC(=O)N 2230a_100000126638_100000744528 [1,0,0,0,0,1|1,0,0]=3 4851 B11R0.147 CCCCC(C)NCCC(C)O 2230a_100000126638_100012276601 [1,0,0,0,0,1|1,0,1]=4 4852 B11R0.147 CCCCC(C)NCCC(C)O 2230a_200000755665_200011215066 [1,0,0,0,0,1|1,0,1]=4 4853 B11R0.147 CCCCC(C)NCCC(C)O 270004a_200000755665_100000210087 [1,0,0,0,0,1|1,0,1]=4 4854 B11R0.147 CCCCC(C)NOCC(=O)O 269956a_100000106656_200011215066 [1,0,0,0,0,1|1,0,0]=3 4855 B11R0.147 CCCCC(C)OCCC(=O)C 34a_100000759926_200011215066 [1,0,0,0,0,1|1,0,0]=3 4856 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000687866_100000053229 [1,0,0,0,0,1|1,0,0]=3 4857 B11R0.147 CCCCC(C)OCCC(=O)C 7a_100000759926_200011215066 [1,0,0,0,0,1|1,0,0]=3 4858 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000687866_100000731001 [1,0,0,0,0,1|1,0,0]=3 4859 B11R0.147 CCCCC(C)OCCC(=O)N 34a_100000757172_200011215066 [1,0,0,0,0,1|1,0,0]=3 4860 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000687866_100000744528 [1,0,0,0,0,1|1,0,0]=3 4861 B11R0.147 CCCCC(C)OCCC(=O)N 7a_100000757172_200011215066 [1,0,0,0,0,1|1,0,0]=3 4862 B11R0.147 CCCCC(C)OCCC(C)O 34a_100000687866_100012276601 [1,0,0,0,0,1|1,0,1]=4 4863 B11R0.147 CCCCC(C)OCCC(C)O 7a_100000687866_100012276601 [1,0,0,0,0,1|1,0,1]=4 4864 B11R0.147 CCCCC(C)OCOC(=O)C 34a_100000687866_100009813279 [1,0,0,0,0,1|2,0,0]=4 4865 B11R0.147 CCCCC(C)SCCC(=O)C 62a_100000053229_200011215066 [1,0,0,0,0,1|1,0,0]=3 4866 B11R0.147 CCCCC(C)SCCC(=O)C 62a_200011215066_100000053229 [1,0,0,0,0,1|1,0,0]=3 4867 B11R0.147 CCCCC(C)SCCC(=O)N 62a_100000744528_200011215066 [1,0,0,0,0,1|1,0,0]=3 4868 B11R0.147 CCCCC(C)SCCC(=O)N 62a_200011215066_100000744528 [1,0,0,0,0,1|1,0,0]=3 4869 B11R0.147 CCCCC(C)SCCC(C)O 62a_100012276601_200011215066 [1,0,0,0,0,1|1,0,1]=4 4870 B11R0.147 CCCCC(C)SCCC(C)O 62a_200011215066_100012276601 [1,0,0,0,0,1|1,0,1]=4 4871 B11R0.147 CCCCC(C)SCOC(=O)C 62a_100000076356_200011215066 [1,0,0,0,0,1|2,0,0]=4 4872 B11R0.147 CCCCC(C)SCOC(=O)C 62a_200011215066_100000076356 [1,0,0,0,0,1|2,0,0]=4 4873 B11R0.147 CCCCN(C)CCCC(=O)C 269982a_100000207549_100011215641 [1,0,0,0,0,1|2,0,0]=4 4874 B11R0.147 CCCCN(C)CCCC(=O)N 269982a_100000207549_100102525003 [1,0,0,0,0,1|2,0,0]=4 4875 B11R0.147 CCCCN(C)CCCC(=O)O 269956a_100000719178_100000210211 [1,0,0,0,0,1|1,0,0]=3 4876 B11R0.147 CCCCN(C)CCNC(=O)C 1626a_200000754967_100015343762 [1,0,0,0,0,1|2,0,0]=4 4877 B11R0.147 CCCCN(C)CCNC(=O)C 2230a_100000207549_100000189650 [1,0,0,0,0,1|2,0,0]=4 4878 B11R0.147 CCCCN(C)CCNC(=O)C 240690a_200000754967_100015343762 [1,0,0,0,0,1|2,0,0]=4 4879 B11R0.147 CCCCN(C)CCNC(=O)C 269982a_100000207549_100000189650 [1,0,0,0,0,1|2,0,0]=4 4880 B11R0.147 CCCCN(C)CCNC(=O)C 527a_200000754967_100103153847 [1,0,0,0,0,1|2,0,0]=4 4881 B11R0.147 CCCCN(C)CCNC(=O)N 2230a_100000207549_200000034859 [1,0,0,0,0,1|2,0,0]=4 4882 B11R0.147 CCCCN(C)CCNC(=O)N 269982a_100000207549_200000034859 [1,0,0,0,0,1|2,0,0]=4 4883 B11R0.147 CCCCN(C)CCOC(=O)C 269982a_100000207549_100009814007 [1,0,0,0,0,1|2,0,0]=4 4884 B11R0.147 CCCCN(C)CCOC(=O)N 269982a_100000207549_200011214921 [1,0,0,0,0,1|2,0,0]=4 4885 B11R0.147 CCCC[C@H](N)COCC(=O)N 34a_100011934283_100000187820 [1,0,0,0,0,1|2,0,0]=4 4886 B11R0.147 CCCC[C@H](N)COCC(=O)[O-] 34a_100011934283_100020667443 [1,0,0,0,0,1|1,0,1]=4 4887 B11R0.147 CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210303 [1,0,0,0,0,1|1,0,1]=4 4888 B11R0.147 CCCOC(C)CNCC(=O)N 2230a_100015185124_100000747473 [1,0,0,0,0,1|2,0,0]=4 4889 B11R0.147 CCCOC(C)CNCC(=O)N 34a_100015185124_100000187820 [1,0,0,0,0,1|2,0,0]=4 4890 B11R0.147 CCCOC(C)CNCC(=O)[O-] 34a_100015185124_100020667443 [1,0,0,0,0,1|1,0,1]=4 4891 B11R0.147 CCOCC(C)OCCC(=O)C 7a_100000718985_100000053229 [1,0,0,0,0,1|2,0,0]=4 4892 B11R0.147 CCOCC(C)OCCC(=O)N 34a_100000718985_100000731001 [1,0,0,0,0,1|2,0,0]=4 4893 B11R0.147 CCOCC(C)OCCC(=O)N 7a_100000718985_100000744528 [1,0,0,0,0,1|2,0,0]=4 4894 B11R0.147 CCOCN(C)CCCC(=O)O 269956a_100000719178_100000739092 [1,0,0,0,0,1|2,0,0]=4 4895 B11R0.147 CN(CCCF)CCCC(=O)O 269956a_100000719178_100011934791 [1,0,0,0,0,1|2,0,0]=4 4896 B11R0.147 CN(CCCO)CCCC(=O)O 269956a_100000719178_100011215043 [1,0,0,0,0,1|2,0,0]=4 4897 B11R0.147 COCCN(C)CCCC(=O)O 269956a_100000719178_100000233755 [1,0,0,0,0,1|2,0,0]=4 4898 B11R0.147 CSCCN(C)CCCC(=O)O 269956a_100000719178_100000212216 [1,0,0,0,0,1|2,0,0]=4 4899 B11R0.147 C[C@H](CCCO)CNCC(=O)N 2230a_100160569302_100000747473 [1,0,0,0,0,1|2,0,0]=4 4900 B11R0.147 C[C@H](CCCO)CNCC(=O)N 34a_100160569302_100000187820 [1,0,0,0,0,1|2,0,0]=4 4901 B11R0.147 C[C@H](CCCO)CNCC(=O)[O-] 34a_100160569302_100020667443 [1,0,0,0,0,1|1,0,1]=4 4902 B13R0.300 C=C(Br)CCOCC(CC)CCCC 34a_100009813270_100000211942 [0,0,0,0,0,2|2,0,0]=4 4903 B13R0.300 C=C(C)CCNCC(CC)CCCC 2230a_100000209976_100000730704 [0,0,0,0,0,2|2,0,0]=4 4904 B13R0.300 C=C(C)CCOCC(CC)CCCC 34a_100000210273_100000730704 [0,0,0,0,0,2|2,0,0]=4 4905 B13R0.300 C=C(C)CCOCC(CC)CCCC 34a_100000764851_100000211942 [0,0,0,0,0,2|2,0,0]=4 4906 B13R0.300 C=C(C)CCOCC(CC)CCCC 7a_100000210273_100000730704 [0,0,0,0,0,2|2,0,0]=4 4907 B13R0.300 C=C(C)CCSCC(CC)CCCC 62a_100000211942_100000730704 [0,0,0,0,0,2|2,0,0]=4 4908 B13R0.300 C=C(C)CCSCC(CC)CCCC 62a_100000730704_100000211942 [0,0,0,0,0,2|2,0,0]=4 4909 B13R0.300 CCCCC(CC)CCCCC(=O)C 1458a_100000070787_200012094884 [0,0,0,0,0,2|1,0,0]=3 4910 B13R0.300 CCCCC(CC)CNCC=C(C)C 2230a_100000209976_100000761012 [0,0,0,0,0,2|2,0,0]=4 4911 B13R0.300 CCCCC(CC)CNCC=C(C)C 270004a_100000718196_100011219736 [0,0,0,0,0,2|2,0,0]=4 4912 B13R0.300 CCCCC(CC)CNCC=C(C)C 34a_100000718196_100000211942 [0,0,0,0,0,2|2,0,0]=4 4913 B13R0.300 CCCCC(CC)CNCCC(=O)N 2230a_100000209976_100000744528 [0,0,0,0,0,2|1,0,0]=3 4914 B13R0.300 CCCCC(CC)CNCCC(=O)N 269862a_100000740010_100011219736 [0,0,0,0,0,2|1,0,0]=3 4915 B13R0.300 CCCCC(CC)CNCCC(C)O 2230a_100000209976_100012276601 [0,0,0,0,0,2|1,0,1]=4 4916 B13R0.300 CCCCC(CC)CNCCC(C)O 2230a_200000755665_100000211942 [0,0,0,0,0,2|1,0,1]=4 4917 B13R0.300 CCCCC(CC)CNCCC(C)O 269862a_200000755665_100011219736 [0,0,0,0,0,2|1,0,1]=4 4918 B13R0.300 CCCCC(CC)CNCCC(C)O 270004a_200000755665_100011219736 [0,0,0,0,0,2|1,0,1]=4 4919 B13R0.300 CCCCC(CC)CNOCC(=O)O 269956a_100000106656_100000211942 [0,0,0,0,0,2|0,0,0]=2 4920 B13R0.300 CCCCC(CC)COCC=C(C)C 34a_100000210273_100000761012 [0,0,0,0,0,2|2,0,0]=4 4921 B13R0.300 CCCCC(CC)COCC=C(C)C 34a_100000753907_100000211942 [0,0,0,0,0,2|2,0,0]=4 4922 B13R0.300 CCCCC(CC)COCC=C(C)C 7a_100000210273_100000761012 [0,0,0,0,0,2|2,0,0]=4 4923 B13R0.300 CCCCC(CC)COCCC(=O)C 34a_100000759926_100000211942 [0,0,0,0,0,2|1,0,0]=3 4924 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000210273_100000053229 [0,0,0,0,0,2|1,0,0]=3 4925 B13R0.300 CCCCC(CC)COCCC(=O)C 7a_100000759926_100000211942 [0,0,0,0,0,2|1,0,0]=3 4926 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000210273_100000731001 [0,0,0,0,0,2|1,0,0]=3 4927 B13R0.300 CCCCC(CC)COCCC(=O)N 34a_100000757172_100000211942 [0,0,0,0,0,2|1,0,0]=3 4928 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000210273_100000744528 [0,0,0,0,0,2|1,0,0]=3 4929 B13R0.300 CCCCC(CC)COCCC(=O)N 7a_100000757172_100000211942 [0,0,0,0,0,2|1,0,0]=3 4930 B13R0.300 CCCCC(CC)COCCC(C)O 34a_100000210273_100012276601 [0,0,0,0,0,2|1,0,1]=4 4931 B13R0.300 CCCCC(CC)COCCC(C)O 7a_100000210273_100012276601 [0,0,0,0,0,2|1,0,1]=4 4932 B13R0.300 CCCCC(CC)COCOC(=O)C 34a_100000210273_100009813279 [0,0,0,0,0,2|1,0,0]=3 4933 B13R0.300 CCCCC(CC)CSCC=C(C)C 62a_100000211942_100000761012 [0,0,0,0,0,2|2,0,0]=4 4934 B13R0.300 CCCCC(CC)CSCC=C(C)C 62a_100000761012_100000211942 [0,0,0,0,0,2|2,0,0]=4 4935 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000053229_100000211942 [0,0,0,0,0,2|1,0,0]=3 4936 B13R0.300 CCCCC(CC)CSCCC(=O)C 62a_100000211942_100000053229 [0,0,0,0,0,2|1,0,0]=3 4937 B13R0.300 CCCCC(CC)CSCCC(=O)N 62a_100000211942_100000744528 [0,0,0,0,0,2|1,0,0]=3 4938 B13R0.300 CCCCC(CC)CSCCC(=O)N 62a_100000744528_100000211942 [0,0,0,0,0,2|1,0,0]=3 4939 B13R0.300 CCCCC(CC)CSCCC(C)O 62a_100000211942_100012276601 [0,0,0,0,0,2|1,0,1]=4 4940 B13R0.300 CCCCC(CC)CSCCC(C)O 62a_100012276601_100000211942 [0,0,0,0,0,2|1,0,1]=4 4941 B13R0.300 CCCCC(CC)CSCOC(=O)C 62a_100000076356_100000211942 [0,0,0,0,0,2|1,0,0]=3 4942 B13R0.300 CCCCC(CC)CSCOC(=O)C 62a_100000211942_100000076356 [0,0,0,0,0,2|1,0,0]=3 4943 B13R0.300 CCCCC(CC)NCCCC(=O)N 34a_100000739312_200011216223 [0,0,0,0,0,2|1,0,0]=3 4944 B13R0.300 CCCCC(CC)NCCCS(=O)C 270004a_200000753449_100000753412 [0,0,0,0,0,2|2,0,0]=4 4945 B13R0.300 CCCCC(CC)NCCNC(=O)N 34a_100020590234_200011216223 [0,0,0,0,0,2|1,0,0]=3 4946 B13R0.300 CCCCC(CC)OCCC=C(C)C 34a_100011215227_100011217483 [0,0,0,0,0,2|2,0,0]=4 4947 B13R0.300 CCCCC(CC)OCCC=C(C)C 7a_100011215227_100011217483 [0,0,0,0,0,2|2,0,0]=4 4948 B13R0.300 CCCCC(CC)OCCC=C(F)F 34a_100011215227_200009816681 [0,0,0,0,0,2|2,0,0]=4 4949 B13R0.300 CCCCC(CC)OCCC=C(F)F 7a_100011215227_200009816681 [0,0,0,0,0,2|2,0,0]=4 4950 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100000759063_200011216223 [0,0,0,0,0,2|1,0,0]=3 4951 B13R0.300 CCCCC(CC)OCCCC(=O)C 34a_100011215227_100000685027 [0,0,0,0,0,2|1,0,0]=3 4952 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100000759063_200011216223 [0,0,0,0,0,2|1,0,0]=3 4953 B13R0.300 CCCCC(CC)OCCCC(=O)C 7a_100011215227_100011215641 [0,0,0,0,0,2|1,0,0]=3 4954 B13R0.300 CCCCC(CC)OCCCC(=O)N 34a_100011215227_100102525003 [0,0,0,0,0,2|1,0,0]=3 4955 B13R0.300 CCCCC(CC)OCCCC(=O)N 7a_100011215227_100102525003 [0,0,0,0,0,2|1,0,0]=3 4956 B13R0.300 CCCCC(CC)OCCCC(C)O 34a_100011215227_200000718107 [0,0,0,0,0,2|1,0,1]=4 4957 B13R0.300 CCCCC(CC)OCCCC(C)O 7a_100011215227_200000718107 [0,0,0,0,0,2|1,0,1]=4 4958 B13R0.300 CCCCC(CC)OCCC[N+](=O)[O-] 34a_200000037920_200011216223 [0,0,0,0,0,2|1,0,1]=4 4959 B13R0.300 CCCCC(CC)OCCNC(=O)C 34a_100000158858_200011216223 [0,0,0,0,0,2|1,0,0]=3 4960 B13R0.300 CCCCC(CC)OCCNC(=O)C 7a_100011215227_100000189650 [0,0,0,0,0,2|1,0,0]=3 4961 B13R0.300 CCCCC(CC)OCCNC(=O)N 34a_100000181757_200011216223 [0,0,0,0,0,2|1,0,0]=3 4962 B13R0.300 CCCCC(CC)OCCNC(=O)N 7a_100011215227_200000034859 [0,0,0,0,0,2|1,0,0]=3 4963 B13R0.300 CCCCC(CC)OCCOC(=O)C 34a_100011215227_100009814007 [0,0,0,0,0,2|1,0,0]=3 4964 B13R0.300 CCCCC(CC)OCCOC(=O)C 7a_100011215227_100009814007 [0,0,0,0,0,2|1,0,0]=3 4965 B13R0.300 CCCCC(CC)OCCOC(=O)N 34a_100011215227_200011214921 [0,0,0,0,0,2|1,0,0]=3 4966 B13R0.300 CCCCC(CC)OCCOC(=O)N 7a_100000766696_200011216223 [0,0,0,0,0,2|1,0,0]=3 4967 B13R0.300 CCCCC(CC)OCCOC(=O)N 7a_100011215227_200011214921 [0,0,0,0,0,2|1,0,0]=3 4968 B13R0.300 CCCCC(CC)SCCC=C(F)F 62a_200009816681_200011216223 [0,0,0,0,0,2|2,0,0]=4 4969 B13R0.300 CCCCC(CC)SCCC=C(F)F 62a_200011216223_200009816681 [0,0,0,0,0,2|2,0,0]=4 4970 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_100011215641_200011216223 [0,0,0,0,0,2|1,0,0]=3 4971 B13R0.300 CCCCC(CC)SCCCC(=O)C 62a_200011216223_100011215641 [0,0,0,0,0,2|1,0,0]=3 4972 B13R0.300 CCCCC(CC)SCCCC(=O)N 62a_100102525003_200011216223 [0,0,0,0,0,2|1,0,0]=3 4973 B13R0.300 CCCCC(CC)SCCCC(=O)N 62a_200011216223_100102525003 [0,0,0,0,0,2|1,0,0]=3 4974 B13R0.300 CCCCC(CC)SCCCC(C)O 62a_200000718107_200011216223 [0,0,0,0,0,2|1,0,1]=4 4975 B13R0.300 CCCCC(CC)SCCCC(C)O 62a_200011216223_200000718107 [0,0,0,0,0,2|1,0,1]=4 4976 B13R0.300 CCCCC(CC)SCCNC(=O)C 62a_100000189650_200011216223 [0,0,0,0,0,2|1,0,0]=3 4977 B13R0.300 CCCCC(CC)SCCNC(=O)C 62a_200011216223_100000189650 [0,0,0,0,0,2|1,0,0]=3 4978 B13R0.300 CCCCC(CC)SCCNC(=O)N 62a_200000034859_200011216223 [0,0,0,0,0,2|1,0,0]=3 4979 B13R0.300 CCCCC(CC)SCCNC(=O)N 62a_200011216223_200000034859 [0,0,0,0,0,2|1,0,0]=3 4980 B13R0.300 CCCCC(CC)SCCOC(=O)C 62a_100009814007_200011216223 [0,0,0,0,0,2|1,0,0]=3 4981 B13R0.300 CCCCC(CC)SCCOC(=O)C 62a_200011216223_100009814007 [0,0,0,0,0,2|1,0,0]=3 4982 B13R0.300 CCCCC(CC)SCCOC(=O)N 62a_200011214921_200011216223 [0,0,0,0,0,2|1,0,0]=3 4983 B13R0.300 CCCCC(CC)SCCOC(=O)N 62a_200011216223_200011214921 [0,0,0,0,0,2|1,0,0]=3 4984 B13R0.300 CCCCN(CC)CCCCC(=O)C 269982a_100000207695_100000735457 [0,0,0,0,0,2|2,0,0]=4 4985 B13R0.300 CCCCN(CC)CCCOC(=O)C 269982a_100000207695_100000042594 [0,0,0,0,0,2|2,0,0]=4 4986 B13R0.300 CCCCN(CC)CCCSC(=O)C 2230a_100000207695_100000038929 [0,0,0,0,0,2|2,0,0]=4 4987 B13R0.300 CCCCN(CC)CCCSC(=O)C 269982a_100000207695_100000038929 [0,0,0,0,0,2|2,0,0]=4 4988 B13R0.300 CCCCN(CC)CCNCC(=O)N 2230a_200011208488_100000747473 [0,0,0,0,0,2|2,0,0]=4 4989 B13R0.300 CCCCN(CC)CCOCC(=O)N 2230a_100000207695_100000076697 [0,0,0,0,0,2|2,0,0]=4 4990 B13R0.300 CCCCN(CC)CCOCC(=O)N 269982a_100000207695_100000076697 [0,0,0,0,0,2|2,0,0]=4 4991 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)C 34a_100011934283_100000685027 [0,0,0,0,0,2|2,0,0]=4 4992 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)N 34a_100011934283_100102525003 [0,0,0,0,0,2|2,0,0]=4 4993 B13R0.300 CCCC[C@@H](CO)NCCNC(=O)C 2230a_100011934283_100000189650 [0,0,0,0,0,2|2,0,0]=4 4994 B13R0.300 CCCC[C@@H](CO)NCCNC(=O)N 2230a_100011934283_200000034859 [0,0,0,0,0,2|2,0,0]=4 4995 B13R0.300 CCCC[C@@H](CO)NCCOC(=O)C 34a_100011934283_100009814007 [0,0,0,0,0,2|2,0,0]=4 4996 B13R0.300 CCCC[C@@H](CO)NCCOC(=O)N 34a_100011934283_200011214921 [0,0,0,0,0,2|2,0,0]=4