0 B8R0.28 CC(=O)CCCN(C)C Y9101 [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(C)CCOC(=O)Cl 6828AJ [0,0,0,0,0,0|4,0,0]=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 V5818 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CC(=O)NCCCN V6432 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CC(=O)NCCCO 8280AC [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 CC(C)=C=CCCO 0509AQ [1,0,0,0,0,0|0,0,2]=3 10 B7R0.4 CC(C)CCCCO 6988AE [1,0,0,0,0,0|0,0,2]=3 11 B7R0.4 CC(C)CSCCO 5051AL [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CC(C)OCCCCl U192 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.4 CC(C)OCCCO 9315AD [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CCCCCC(C)C 5733AL [1,0,0,0,0,0|0,0,2]=3 15 B7R0.4 CCCCCC(C)Cl 5577AL [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 CCCCNC(C)=O 7541AF [1,0,0,0,0,0|2,0,0]=3 17 B7R0.4 CCCCNC(C)C 2334AE [1,0,0,0,0,0|1,0,1]=3 18 B7R0.4 CCOCCC(C)=O 6489AL [1,0,0,0,0,0|2,0,1]=4 19 B7R0.4 CN(C)CCCCN 1354AE [1,0,0,0,0,0|2,0,1]=4 20 B7R0.4 COCCNC(C)C 8018AC [1,0,0,0,0,0|2,0,1]=4 21 B9R0.1 CC(O)CCNC(=O)CN 2340AD [0,1,0,0,0,0|2,0,0]=3 22 B9R0.1 CCC(C)CCCC(C)C 5421AL [0,1,0,0,0,0|1,0,2]=4 23 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,1,0,0,0,0|2,0,1]=4 24 B9R0.7 CN(C)C(=O)CCB(O)O X8136 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.53 CC(=O)OC(C)CC(C)C 7965AF [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 CC(C)N1CCC(N)C1 W4225 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 CC(C)N1CCC(O)C1 4888AL [0,0,0,1,0,0|1,0,1]=3 28 B9R1.35 N=C(N)N1CCC(O)C1 1274AA [0,0,0,1,0,0|3,0,0]=4 29 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [0,0,0,1,0,0|2,0,1]=4 30 B9R1.49 CN1CCCC(N)CC1 3590AF [0,0,0,1,0,0|2,0,1]=4 31 B9R1.66 CC1(C)CC(N)CCO1 1321AJ [0,0,0,1,0,0|2,0,1]=4 32 B9R1.66 CC1(C)CC(N)CCO1 Z4507 [0,0,0,1,0,0|2,0,1]=4 33 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,0,0,0,1,0|1,0,2]=4 34 B7R0.6 C=C(C)CCC(C)C 5371AL [0,0,0,0,1,0|1,0,1]=3 35 B7R0.6 CC(=O)CCN(C)C 8474AD [0,0,0,0,1,0|1,0,2]=4 36 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,0,0,0,1,0|2,0,1]=4 37 B7R0.6 CC(C)CCC(C)C 5381AL [0,0,0,0,1,0|1,0,1]=3 38 B7R0.6 CC(C)CNC(C)C 2335AE [0,0,0,0,1,0|2,0,1]=4 39 B7R0.6 CN(C)CCN(C)C 3249AL [0,0,0,0,1,0|3,0,0]=4 40 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,0,0,0,1,0|1,0,1]=3 41 B6R0.4 C=C(C)CCCC 5699AL [2,0,0,0,0,0|0,0,1]=3 42 B6R0.4 C=CCCC(=C)C 5696AL [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 C=CCCC(C)C 6791AL [2,0,0,0,0,0|1,0,0]=3 44 B6R0.4 CC(=O)CCCBr W5938 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CC(C)CCCCl 6814AE [2,0,0,0,0,0|1,0,1]=4 46 B6R0.4 CCCC=C(C)C 5704AL [2,0,0,0,0,0|0,0,0]=2 47 B6R0.4 CCCCC(=O)Br 7391AF [2,0,0,0,0,0|2,0,0]=4 48 B6R0.4 CCCCC(C)Br 5535AL [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 CCCCC(C)C 5734AL [2,0,0,0,0,0|0,0,1]=3 50 B6R0.4 CCCCC(C)Cl 5578AL [2,0,0,0,0,0|1,0,1]=4 51 B6R0.4 CCCCC(C)N 7573AF [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CCCCC(C)O 9467AB [2,0,0,0,0,0|0,0,1]=3 53 B6R0.4 C\C=C\CC(C)C 6798AL [2,0,0,0,0,0|1,0,0]=3 54 B6R0.6 C=CCC\C=C\C 4658AL [2,0,0,0,0,0|0,0,2]=4 55 B6R0.6 CC#CCCCC 5638AL [2,0,0,0,0,0|0,0,2]=4 56 B6R0.6 CC=C=CCCO 1076AQ [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 CC\C=C\CCC 9219AL [2,0,0,0,0,0|0,0,2]=4 60 B6R0.6 C\C=C/CCCC 7422AL [2,0,0,0,0,0|0,0,0]=2 61 B6R0.6 C\C=C/CCCCl 7455AL [2,0,0,0,0,0|1,0,0]=3 62 B6R0.6 C\C=C\CCCC 7780AF [2,0,0,0,0,0|0,0,0]=2 63 B6R0.6 C\C=C\SCCC U946 [2,0,0,0,0,0|1,0,0]=3 64 B8R0.5 C=C(C)CC(C)CCC 5311AL [1,1,0,0,0,0|0,0,2]=4 65 B8R0.5 CCCC(C)CC(C)C 5321AL [1,1,0,0,0,0|0,0,2]=4 66 B8R0.6 CCCCNC(=O)CCl W6790 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.6 CCCCNC(=O)CN 7049AD [1,1,0,0,0,0|2,0,0]=4 68 B8R0.6 CCCCOC(=O)CF 1832AE [1,1,0,0,0,0|2,0,0]=4 69 B8R0.6 CCCCOC(=O)CN 3583AD [1,1,0,0,0,0|2,0,0]=4 70 B8R0.6 NCC(=O)NCCCO 2231AD [1,1,0,0,0,0|2,0,0]=4 71 B8R0.7 C=C(C)CCCCCCl 6449AD [1,1,0,0,0,0|0,0,2]=4 72 B8R0.7 CC(C)CNCCCO 9143AD [1,1,0,0,0,0|0,0,2]=4 73 B8R0.7 CCCCCC[C@H](C)O D263 [1,1,0,0,0,0|0,0,2]=4 74 B8R0.7 CCCC\C=C\C(=O)O 6400AD [1,1,0,0,0,0|2,0,0]=4 75 B8R0.7 CCNCCCN(C)C 4992AJ [1,1,0,0,0,0|1,0,1]=4 76 B8R0.7 CN(C)CCNCCO 2146AE [1,1,0,0,0,0|1,0,1]=4 77 B8R0.7 CNCCCNC(C)C 5056AD [1,1,0,0,0,0|1,0,1]=4 78 B8R0.8 CCCCC(=O)C(C)=O 5249AL [1,1,0,0,0,0|1,0,0]=3 79 B8R0.8 CCCCC(=O)C(C)C 5543AA [1,1,0,0,0,0|0,0,1]=3 80 B8R0.8 CCCCC(C)C(C)C 5236AL [1,1,0,0,0,0|0,0,2]=4 81 B8R0.8 CN(C)C(=O)CCCCl 7775AD [1,1,0,0,0,0|2,0,0]=4 82 B8R0.8 OCCCC(F)=C(F)F 8683AC [1,1,0,0,0,0|2,0,0]=4 83 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,1,0,0,0,0|1,0,1]=4 84 B8R0.9 CCC(C)CCC(C)C 5380AL [1,1,0,0,0,0|0,0,2]=4 85 B8R0.9 CCC(C)CCC(C)O 6794AL [1,1,0,0,0,0|0,0,2]=4 86 B8R0.9 CCC(C)COC(C)=O 1426AQ [1,1,0,0,0,0|2,0,0]=4 87 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,1,0,0,1,0|2,0,0]=4 88 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,1,0,0,1,0|2,0,0]=4 89 B8R0.23 CC(C)CC(O)C(C)C 5374AL [0,1,0,0,1,0|1,0,1]=4 90 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,1,0,0,1,0|2,0,0]=4 91 B8R0.29 CC(C)CCC(C)(C)C 8138AF [0,1,0,0,1,0|1,0,1]=4 92 B8R0.29 CN(C)CCC(C)(C)N 5824AC [0,1,0,0,1,0|2,0,0]=4 93 B10R0.98 CC(O)CCNC(=O)C(C)N 3098AD [0,1,0,0,0,1|1,0,1]=4 94 B10R0.3 CC(O)CCNC(=O)CCN 2226AD [0,2,0,0,0,0|2,0,0]=4 95 B10R0.3 CNCC(=O)NCCC(C)O 2343AD [0,2,0,0,0,0|2,0,0]=4 96 B10R0.57 C\C=C(\C)C(=O)OCC(C)C 7086AL [0,2,0,0,0,0|2,0,0]=4 97 B8R1.1 CCC1CSC(C)=N1 5718AL [1,0,0,1,0,0|2,0,0]=4 98 B8R1.1 CN1CC[C@H](CO)C1 9151AH [1,0,0,1,0,0|1,0,1]=4 99 B8R1.1 O=C1CC(CO)CN1 7314AE [1,0,0,1,0,0|2,0,0]=4 100 B8R1.1 O=C1CCC(CO)C1 W1896 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.4 CC1CC(O)CCN1 1810AJ [1,0,0,1,0,0|1,0,1]=4 102 B8R1.4 CC1CCOC(C)O1 5310AL [1,0,0,1,0,0|1,0,1]=4 103 B8R1.4 CN1CCC=C(Br)C1 1699AE [1,0,0,1,0,0|2,0,0]=4 104 B8R1.4 CN1CCC=C(Br)C1 2180AJ [1,0,0,1,0,0|2,0,0]=4 105 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [1,0,0,1,0,0|0,0,2]=4 107 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [1,0,0,1,0,0|0,0,2]=4 108 B8R1.7 CC(=O)N1CCCC1 4743AL [1,0,0,1,0,0|2,0,0]=4 109 B8R1.7 CC(C)C1=NCCO1 5673AL [1,0,0,1,0,0|1,0,1]=4 110 B8R1.22 BrC1=CCCCCC1 V3936 [1,0,0,1,0,0|1,0,0]=3 111 B8R1.22 OC1CCCNCC1 V5726 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.22 OC1CCCNCC1 X9141 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.35 CC(C)NCC1CC1 9067AC [1,0,0,1,0,0|1,0,1]=4 114 B8R1.3 CC1CCC(C)CC1 7953AF [0,0,0,1,1,0|1,0,1]=4 115 B8R1.3 CC1CCC(N)CC1 0306AA [0,0,0,1,1,0|1,0,1]=4 116 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,0,0,1,1,0|2,0,0]=4 117 B8R1.3 CN1CCC(Br)CC1 7812AB [0,0,0,1,1,0|2,0,0]=4 118 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,0,0,1,1,0|1,0,1]=4 119 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,0,0,1,1,0|1,0,1]=4 120 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,0,0,1,1,0|1,0,1]=4 121 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,0,0,1,1,0|2,0,0]=4 122 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,0,0,1,1,0|2,0,0]=4 123 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,0,0,1,1,0|2,0,0]=4 124 B8R1.51 CC1(C)CCC(N)C1 2064AJ [0,0,0,1,1,0|1,0,1]=4 125 B8R1.51 CC1COC(C)(C)O1 5088AL [0,0,0,1,1,0|1,0,1]=4 126 B10R1.113 CC(=O)N1CCCC(O)C1 2724AE [0,0,0,1,0,1|1,0,1]=4 127 B10R1.13 CC(O)C1CCN(C)CC1 9372AH [0,1,0,1,0,0|1,0,1]=4 128 B10R1.13 CC1=CC[C@H](C(C)C)C=C1 3942AL [0,1,0,1,0,0|1,0,1]=4 129 B10R1.14 COC(=O)C1CCC(O)C1 4256AJ [0,1,0,1,0,0|1,0,1]=4 130 B10R1.14 NCC(=O)N1CCC(O)C1 1791AD [0,1,0,1,0,0|2,0,0]=4 131 B10R1.171 CC1(C)CC(CO)CCO1 8441AH [0,1,0,1,0,0|1,0,1]=4 132 B10R1.81 CC(C)C(=O)N1CC(O)C1 4939AJ [0,1,0,1,0,0|1,0,1]=4 133 B10R1.329 C[C@@H]1C[C@@H](O)CC(C)(C)C1 9216AL [0,1,0,1,0,0|0,0,2]=4 134 B10R2.179 CC12CCCC(=O)C1O2 3046AL [0,0,0,2,0,0|1,0,1]=4 135 B6R0.2 CC(C)=CB(O)O X0525 [0,0,0,0,2,0|2,0,0]=4 136 B6R0.2 CC(C)CC(C)Br 3157AB [0,0,0,0,2,0|1,0,1]=4 137 B6R0.2 CC(C)CC(C)C 7809AF [0,0,0,0,2,0|1,0,1]=4