0 B9R0.43 CCC(COC(C)=O)OC 5685AL [0,0,0,0,0,0|1,0,0]=1 1 B8R0.9 CCC(=O)CCC(C)=O 8738AA [1,0,0,0,0,0|2,0,1]=4 2 B8R0.9 CCC(=O)COC(C)=O X5648 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.9 CCC(C)CCC(C)O 6794AL [1,0,0,0,0,0|1,0,2]=4 4 B10R0.45 CCC(C=O)CCC(=O)OC 2820AJ [0,1,0,0,0,0|2,0,1]=4 5 B10R0.45 CCN(CC)CCC(=O)NN 0327AF [0,1,0,0,0,0|3,0,0]=4 6 B10R0.144 CCC(CC)C(N)CC(=O)O 0471AB [0,1,0,0,0,0|2,0,0]=3 7 B10R1.66 CC(=O)OCC1CCNC1 1662AD [0,0,0,1,0,0|1,0,0]=2 8 B10R1.66 O=C(O)CCC1CCCO1 5871AC [0,0,0,1,0,0|3,0,0]=4 9 B10R1.197 CCN1CCNC(=O)CC1 4575AB [0,0,0,1,0,0|3,0,0]=4 10 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,0,0,0,1,0|0,0,2]=3 11 B7R0.3 CCCCC(C)CC 6251AE [2,0,0,0,0,0|1,0,1]=4 12 B7R0.3 CCOCC(N)CC 8270AE [2,0,0,0,0,0|1,0,1]=4 13 B7R0.4 C=C(C)CCCCC 5698AL [2,0,0,0,0,0|2,0,0]=4 14 B7R0.4 C=CCCOC(C)=O 3121AL [2,0,0,0,0,0|0,0,2]=4 15 B7R0.4 CC(=O)NCCCN V6432 [2,0,0,0,0,0|2,0,0]=4 16 B7R0.4 CC(=O)NCCCO 8280AC [2,0,0,0,0,0|2,0,0]=4 17 B7R0.4 CCOCCC(C)=O 6489AL [2,0,0,0,0,0|2,0,0]=4 18 B7R0.6 C=C(C)CCC(C)C 5371AL [2,0,0,0,0,0|2,0,0]=4 19 B7R0.6 CC(=O)CCN(C)C 8474AD [2,0,0,0,0,0|2,0,0]=4 20 B7R0.6 CC(C)CCC(=O)O 9893AB [2,0,0,0,0,0|2,0,0]=4 21 B7R0.12 CCNC(CC)CC 2358AE [2,0,0,0,0,0|1,0,1]=4 22 B9R0.23 CCC(C)C(=N)CC(C)=O Y2757 [1,1,0,0,0,0|1,0,1]=4 23 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [1,1,0,0,0,0|2,0,0]=4 24 B9R0.48 CCCC(C)CCC(C)=O 6799AL [1,1,0,0,0,0|1,0,0]=3 25 B9R0.67 CCCCC(C)(CC)CC 6045AL [1,1,0,0,0,0|1,0,1]=4 26 B9R0.41 CCC(CC)C(N)C(=O)O 4313AD [0,1,0,0,1,0|1,0,0]=3 27 B9R1.1 O=C1CCC(CO)CN1 7233AA [1,0,0,1,0,0|2,0,0]=4 28 B9R1.35 CC(=O)N1CC[C@@H](N)C1 Z2268 [1,0,0,1,0,0|2,0,0]=4 29 B9R1.49 CN1CCCC(=O)CC1 W4017 [1,0,0,1,0,0|2,0,0]=4 30 B9R1.69 CC1CC(=O)CCC1O 4918AC [1,0,0,1,0,0|2,0,0]=4 31 B9R1.69 CC1CCC(=O)CC1C 2294AL [1,0,0,1,0,0|1,0,0]=3 32 B9R1.84 O=C(O)CCC1CCC1 3714AE [1,0,0,1,0,0|2,0,0]=4 33 B9R1.12 CCOCC1CCCN1 1661AF [1,0,0,1,0,0|1,0,1]=4 34 B9R1.12 CCOCC1CCNC1 0320AD [1,0,0,1,0,0|1,0,1]=4 35 B9R1.15 CCC1CCCCC1C 4843AL [1,0,0,1,0,0|1,0,1]=4 36 B9R1.204 CCC1(CC)CCNC1 1129AE [1,0,0,1,0,0|1,0,1]=4 37 B9R1.2 C=CC1CCCC(=O)C1 2486AL [0,0,0,1,1,0|0,0,2]=4 38 B9R1.2 CCC1CCCC(C)C1 4845AL [0,0,0,1,1,0|1,0,1]=4 39 B9R1.2 CCC1CCCC(O)C1 5870AJ [0,0,0,1,1,0|0,0,2]=4 40 B9R1.2 COC1CCCC(=O)C1 2324AJ [0,0,0,1,1,0|1,0,0]=3 41 B9R1.2 NCC1CCCC(=O)N1 3336AJ [0,0,0,1,1,0|2,0,0]=4 42 B9R1.2 O=C1CC(CO)CCN1 5141AE [0,0,0,1,1,0|2,0,0]=4 43 B9R1.2 O=C1CCCC(CO)C1 3736AB [0,0,0,1,1,0|1,0,0]=3 44 B9R1.2 O=C1CCCC(CO)N1 3344AJ [0,0,0,1,1,0|2,0,0]=4 45 B9R1.2 O=C1CCC[C@@H](CO)N1 5437AA [0,0,0,1,1,0|2,0,0]=4 46 B9R1.13 CC(=O)N[C@H]1CCNC1 X9087 [0,0,0,1,1,0|2,0,0]=4 47 B9R1.13 CC(=O)N[C@H]1CCNC1 X9602 [0,0,0,1,1,0|2,0,0]=4 48 B9R1.13 CC(=O)OC1CCNC1 1432AD [0,0,0,1,1,0|1,0,0]=3 49 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,0,0,1,1,0|2,0,0]=4 50 B9R1.13 O=C(O)CC1CCCO1 1796AB [0,0,0,1,1,0|2,0,0]=4 51 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 2070AL [0,0,0,1,1,0|2,0,0]=4 52 B9R1.128 O=C(O)CC1(CO)CC1 3675AC [0,0,0,1,1,0|2,0,0]=4 53 B11R1.3 CNC1CCN(C(C)=O)CC1 W3043 [0,0,0,1,0,1|2,0,0]=4 54 B11R1.172 C=C(C)COCC1CCNC1 1732AD [0,0,0,1,0,1|2,0,0]=4 55 B11R1.172 NC(=O)CCNC1CCCC1 6502AD [0,0,0,1,0,1|2,0,0]=4 56 B11R1.172 O=C(O)COCC1CCCC1 5832AC [0,0,0,1,0,1|1,0,0]=3 57 B11R1.172 O=C(O)COCC1CCCO1 0776AF [0,0,0,1,0,1|2,0,0]=4 58 B11R1.91 CC(=O)OCC1CCCNC1 1664AD [0,1,0,1,0,0|0,0,0]=2 59 B11R1.91 CC(=O)OCC1CCNCC1 6179AD [0,1,0,1,0,0|0,0,0]=2 60 B11R1.91 CC(C)OCC1CCCNC1 1045AD [0,1,0,1,0,0|1,0,1]=4 61 B11R1.91 CC(C)OCC1CCNCC1 1043AD [0,1,0,1,0,0|1,0,1]=4 62 B11R1.91 O=C(O)CCC1CCCCN1 6959AC [0,1,0,1,0,0|2,0,0]=4 63 B11R1.91 O=C(O)CCC1CCCNC1 2262AL [0,1,0,1,0,0|2,0,0]=4 64 B11R1.91 O=C(O)CCC1CCCNC1 9554AA [0,1,0,1,0,0|2,0,0]=4 65 B11R1.91 O=C(O)CCC1CCNCC1 9555AA [0,1,0,1,0,0|2,0,0]=4 66 B11R1.91 O=C(O)CCC1CCOCC1 5463AB [0,1,0,1,0,0|2,0,0]=4 67 B11R1.266 CC(=O)N1CCOC(CN)C1 6105AD [0,1,0,1,0,0|2,0,0]=4 68 B11R1.25 CCC(=O)OCC1CCNC1 1957AD [0,1,0,1,0,0|1,0,0]=3 69 B11R1.25 COC(=O)CNC1CCCC1 W4169 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.25 NCC(=O)NCC1CCCO1 2160AF [0,1,0,1,0,0|2,0,0]=4 71 B11R1.35 N[C@H](CC1CCCC1)C(=O)O 6958AC [0,1,0,1,0,0|2,0,0]=4 72 B11R1.77 NC(CC(=O)O)C1CCCC1 5785AJ [0,1,0,1,0,0|2,0,0]=4 73 B11R2.748 O=C1CC2(CCNC2)CN1 4302AA [0,0,0,2,0,0|2,0,0]=4 74 B7R0.2 C=C(C)CC(C)CC 5312AL [1,0,0,0,1,0|1,0,0]=3 75 B7R0.2 C=CC(C)OC(C)=O 6010AL [1,0,0,0,1,0|0,0,2]=4 76 B7R0.2 CCC(C)CC(C)C 5322AL [1,0,0,0,1,0|1,0,1]=4 77 B7R0.2 CCC(N)CC(=O)O W4035 [1,0,0,0,1,0|2,0,0]=4 78 B7R0.2 CCN(C)CC(C)=O 9608AC [1,0,0,0,1,0|1,0,0]=3 79 B7R0.2 COC(C)CC(=O)O 0132AA [1,0,0,0,1,0|2,0,0]=4 80 B7R0.15 CCC(OC)C(=O)O 8292AB [0,0,0,0,2,0|2,0,0]=4 81 B9R0.1 CCC(C)OCCC(C)=O 6681AL [1,0,0,0,0,1|1,0,0]=3