0 B8R0.28 C=C(C)CCCC(=O)O X3484 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,0,0,0,0,0|1,0,3]=4 2 B8R0.28 CC(=O)SCCC(=O)O 0636AQ [0,0,0,0,0,0|3,0,1]=4 3 B8R0.28 CC(C)CSCC(C)C 8004AF [0,0,0,0,0,0|2,0,2]=4 4 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 C=C(C)CCCCC 5698AL [1,0,0,0,0,0|0,0,2]=3 6 B7R0.4 CC(=O)NCCCN V6432 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(=O)NCCCO 8280AC [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CC(C)CCCCO 6988AE [1,0,0,0,0,0|0,0,2]=3 9 B7R0.4 CC(C)CSCCO 5051AL [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CC(C)OCCCCl U192 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CC(C)OCCCO 9315AD [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CCCCCC(C)C 5733AL [1,0,0,0,0,0|0,0,2]=3 13 B7R0.4 CCCCCC(C)Cl 5577AL [1,0,0,0,0,0|1,0,2]=4 14 B7R0.4 CCCCNC(C)C 2334AE [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 CCOCCC(C)=O 6489AL [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CN(C)CCCCN 1354AE [1,0,0,0,0,0|2,0,1]=4 17 B7R0.4 COCCNC(C)C 8018AC [1,0,0,0,0,0|2,0,1]=4 18 B9R0.1 CC(O)CCNC(=O)CN 2340AD [0,1,0,0,0,0|2,0,0]=3 19 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,1,0,0,0,0|2,0,1]=4 20 B9R0.7 CN(C)C(=O)CCB(O)O X8136 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.53 CC(=O)CC(C)CC(C)C 0099AB [0,1,0,0,0,0|2,0,1]=4 22 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [0,0,0,1,0,0|2,0,1]=4 24 B9R1.49 CN1CCCC(N)CC1 3590AF [0,0,0,1,0,0|2,0,1]=4 25 B9R1.66 CC1(C)CC(N)CCO1 1321AJ [0,0,0,1,0,0|2,0,1]=4 26 B9R1.66 CC1(C)CC(N)CCO1 Z4507 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.66 CC1(C)CCCC(N)C1 2063AJ [0,0,0,1,0,0|1,0,2]=4 28 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,0,0,0,1,0|1,0,2]=4 29 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,1,0|1,0,1]=3 30 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,1,0|1,0,2]=4 31 B7R0.6 CC(C)CCC(=O)O 9893AB [0,0,0,0,1,0|1,0,2]=4 32 B7R0.6 CC(C)CCC(C)Br 5483AJ [0,0,0,0,1,0|1,0,1]=3 33 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,0,0,1,0|1,0,1]=3 34 B7R0.6 CN(C)CCN(C)C 2336AA [0,0,0,0,1,0|3,0,0]=4 35 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,1,0|2,0,1]=4 36 B9R0.55 CC(=O)CCOCC(C)C 6549AL [0,0,0,0,0,1|2,0,1]=4 37 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|0,0,1]=3 38 B6R0.4 C=C(C)CCCO 2774AL [2,0,0,0,0,0|0,0,1]=3 39 B6R0.4 C=CCCC(=C)C 5696AL [2,0,0,0,0,0|1,0,1]=4 40 B6R0.4 C=CCCC(C)C 6791AL [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 CC(C)CCC=O Y1162 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CC(C)CCCCl 6814AE [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 CC(C)CCCN 7575AF [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 CCCC=C(C)C 5704AL [2,0,0,0,0,0|0,0,0]=2 45 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CCCCC(C)C 5734AL [2,0,0,0,0,0|0,0,1]=3 47 B6R0.4 CCCCC(C)Cl 5578AL [2,0,0,0,0,0|1,0,1]=4 48 B6R0.4 CCCCC(C)O 9467AB [2,0,0,0,0,0|0,0,1]=3 49 B6R0.4 CCCNC(C)C 7560AH [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 CCCSC(C)C 8111AL [2,0,0,0,0,0|1,0,1]=4 51 B6R0.4 CCNCC(C)O 2626AE [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CNCCN(C)C J70105 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 COCCC(C)=O B939 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 C\C=C\CC(C)C 6798AL [2,0,0,0,0,0|1,0,0]=3 55 B6R0.6 C=CCC\C=C\C 4658AL [2,0,0,0,0,0|0,0,2]=4 56 B6R0.6 CC#CCCCC 5638AL [2,0,0,0,0,0|0,0,2]=4 57 B6R0.6 CCCCCSC 7567AF [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 CCCCOCC 7302AL [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 CCNCCCO 5711AJ [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 CCOCCCO D587 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 CC\C=C\CCC 9219AL [2,0,0,0,0,0|0,0,2]=4 62 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|0,0,0]=2 63 B6R0.6 C\C=C/CCCCl 7455AL [2,0,0,0,0,0|1,0,0]=3 64 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|0,0,0]=2 65 B6R0.6 C\C=C\SCCC U946 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.6 O=CCCCCO Z3600 [2,0,0,0,0,0|1,0,1]=4 67 B8R0.5 C=C(C)CC(C)CCC 5311AL [1,1,0,0,0,0|0,0,2]=4 68 B8R0.5 CCCC(C)CC(C)C 5321AL [1,1,0,0,0,0|0,0,2]=4 69 B8R0.6 CCCCNC(=O)CN 7049AD [1,1,0,0,0,0|2,0,0]=4 70 B8R0.6 CCCCOC(=O)CF 1832AE [1,1,0,0,0,0|2,0,0]=4 71 B8R0.6 CCCCOC(=O)CN 3583AD [1,1,0,0,0,0|2,0,0]=4 72 B8R0.6 COC(=O)CCCCO Z9406 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.6 NCC(=O)NCCCO 2231AD [1,1,0,0,0,0|2,0,0]=4 74 B8R0.7 C=C(C)CCCCCCl 6449AD [1,1,0,0,0,0|0,0,2]=4 75 B8R0.7 CC(C)CNCCCO 9143AD [1,1,0,0,0,0|0,0,2]=4 76 B8R0.7 CCCCCC[C@H](C)O D263 [1,1,0,0,0,0|0,0,2]=4 77 B8R0.7 CCCC\C=C\C(=O)O 6400AD [1,1,0,0,0,0|2,0,0]=4 78 B8R0.7 CN(C)CCCCCN 3543AB [1,1,0,0,0,0|1,0,1]=4 79 B8R0.7 CN(C)CCNCCO 2146AE [1,1,0,0,0,0|1,0,1]=4 80 B8R0.7 CNCCCNC(C)C 5056AD [1,1,0,0,0,0|1,0,1]=4 81 B8R0.8 CCCCC(=O)C(C)C 5543AA [1,1,0,0,0,0|0,0,1]=3 82 B8R0.8 CCCCC(C)C(C)=O 1634AB [1,1,0,0,0,0|1,0,1]=4 83 B8R0.8 CCCCC(C)C(C)C 5236AL [1,1,0,0,0,0|0,0,2]=4 84 B8R0.8 CN(C)C(=O)CCCCl 7775AD [1,1,0,0,0,0|2,0,0]=4 85 B8R0.8 OCCCC(F)=C(F)F 8683AC [1,1,0,0,0,0|2,0,0]=4 86 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|1,0,1]=4 87 B8R0.9 CCC(C)CCC(C)O 6794AL [1,1,0,0,0,0|0,0,2]=4 88 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,0,0,1,0|2,0,0]=4 89 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,0,0,1,0|2,0,0]=4 90 B8R0.23 CC(C)CC(O)C(C)C 5374AL [0,1,0,0,1,0|1,0,1]=4 91 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,1,0,0,1,0|2,0,0]=4 92 B8R0.29 CC(C)CCC(C)(C)C 8138AF [0,1,0,0,1,0|1,0,1]=4 93 B8R0.29 CC(C)CCC(C)(C)Cl 5559AL [0,1,0,0,1,0|1,0,1]=4 94 B8R0.29 CN(C)CCC(C)(C)N 5824AC [0,1,0,0,1,0|2,0,0]=4 95 B10R0.98 CC(O)CCNC(=O)C(C)N 3098AD [0,1,0,0,0,1|1,0,1]=4 96 B10R0.3 CC(O)CCNC(=O)CCN 2226AD [0,2,0,0,0,0|2,0,0]=4 97 B10R0.3 CNCC(=O)NCCC(C)O 2343AD [0,2,0,0,0,0|2,0,0]=4 98 B8R1.1 CCC1CSC(C)=N1 5718AL [1,0,0,1,0,0|2,0,0]=4 99 B8R1.1 CN1CC[C@@H](CO)C1 3687AA [1,0,0,1,0,0|1,0,1]=4 100 B8R1.1 CN1CC[C@H](CO)C1 9151AH [1,0,0,1,0,0|1,0,1]=4 101 B8R1.1 O=C1CC(CO)CN1 7314AE [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 O=C1CCC(CO)C1 W1896 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.4 CC1CC(O)CCN1 1810AJ [1,0,0,1,0,0|1,0,1]=4 104 B8R1.4 CC1CCOC(C)O1 5310AL [1,0,0,1,0,0|1,0,1]=4 105 B8R1.4 CN1CCC=C(Br)C1 2180AJ [1,0,0,1,0,0|2,0,0]=4 106 B8R1.4 CN1CCC[C@@H](O)C1 Z2109 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [1,0,0,1,0,0|0,0,2]=4 109 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [1,0,0,1,0,0|0,0,2]=4 110 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.7 CC(C)C1=NCCO1 5673AL [1,0,0,1,0,0|1,0,1]=4 112 B8R1.72 CC1(C)CCCCN1 1328AJ [1,0,0,1,0,0|1,0,1]=4 113 B8R1.3 CC1CCC(C)CC1 7953AF [0,0,0,1,1,0|1,0,1]=4 114 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,1,1,0|2,0,0]=4 115 B8R1.3 CN1CCC(Br)CC1 7812AB [0,0,0,1,1,0|2,0,0]=4 116 B8R1.3 CN1CCC(Br)CC1 N805 [0,0,0,1,1,0|2,0,0]=4 117 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,0,0,1,1,0|1,0,1]=4 118 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,0,0,1,1,0|1,0,1]=4 119 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,0,0,1,1,0|1,0,1]=4 120 B8R1.3 NC1CCC(O)CC1 W7862 [0,0,0,1,1,0|1,0,1]=4 121 B8R1.3 NN1CCC(O)CC1 2414AC [0,0,0,1,1,0|2,0,0]=4 122 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,0,1,1,0|2,0,0]=4 123 B8R1.3 O[C@H]1CC[C@@H](O)CC1 U023 [0,0,0,1,1,0|1,0,1]=4 124 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,1,0|2,0,0]=4 125 B8R1.51 CC1(C)CCC(N)C1 2064AJ [0,0,0,1,1,0|1,0,1]=4 126 B8R1.51 CC1COC(C)(C)O1 5088AL [0,0,0,1,1,0|1,0,1]=4 127 B10R1.113 CC(=O)N1CCCC(O)C1 2724AE [0,0,0,1,0,1|1,0,1]=4 128 B10R1.13 CC(=O)C1CC=C(C)CC1 Z4935 [0,1,0,1,0,0|0,0,2]=4 129 B10R1.13 CC(C)=C1CC=C(Br)CC1 V2565 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.13 CC(O)C1CCN(C)CC1 9372AH [0,1,0,1,0,0|1,0,1]=4 131 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [0,1,0,1,0,0|1,0,1]=4 132 B10R1.13 CN(C)C1CCC(O)CC1 W7344 [0,1,0,1,0,0|1,0,1]=4 133 B10R1.14 NCC(=O)N1CCC(O)C1 1791AD [0,1,0,1,0,0|2,0,0]=4 134 B10R1.171 CC1(C)CC(CO)CCO1 8441AH [0,1,0,1,0,0|1,0,1]=4 135 B10R1.81 CC(C)C(=O)N1CC(O)C1 4939AJ [0,1,0,1,0,0|1,0,1]=4 136 B10R1.329 C[C@@H]1C[C@@H](O)CC(C)(C)C1 9216AL [0,1,0,1,0,0|0,0,2]=4 137 B10R2.179 CC12CCCC(=O)C1O2 3046AL [0,0,0,2,0,0|1,0,1]=4 138 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,2,0|1,0,1]=4 139 B6R0.2 CC(C)CC(C)N I823 [0,0,0,0,2,0|1,0,1]=4 140 B6R0.2 CC(N)CN(C)C 8452AC [0,0,0,0,2,0|2,0,0]=4 141 B6R0.2 C[C@H](O)CN(C)C 7646AB [0,0,0,0,2,0|1,0,0]=3