0 B10R0.3 CCCC(C)CCOC(C)=O 6114AL [0,0,0,0,0,0|3,0,1]=4 1 B9R0.1 CCC(C)OCCC(C)=O 6681AL [1,0,0,0,0,0|2,0,1]=4 2 B9R0.2 CCNCCCNC(C)C 9756AE [1,0,0,0,0,0|3,0,0]=4 3 B9R0.5 CCCCCC(C)CCC 6610AL [1,0,0,0,0,0|1,0,0]=2 4 B9R0.5 CCCCCC(C)N=C=S 7366AD [1,0,0,0,0,0|1,1,1]=4 5 B9R0.5 CCCCC[C@@H](C)N=C=S Y9953 [1,0,0,0,0,0|1,1,1]=4 6 B9R0.5 CCCCC[C@H](C)N=C=S Y9954 [1,0,0,0,0,0|1,1,1]=4 7 B11R0.6 CC(C)=CCCC(C)CC(=O)O 7466AL [0,1,0,0,0,0|0,0,3]=4 8 B11R0.45 CCN(CCO)CCCC(C)N L783 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.124 CNCC1CCN(C(C)C)C1 1772AF [0,0,0,1,0,0|3,0,0]=4 10 B11R1.135 CN1CCCN(CCN)CC1 Y8978 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O 3960AL [0,0,0,1,0,0|0,0,0]=1 12 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Cl 5128AD [0,0,0,1,0,0|1,0,0]=2 13 B11R1.166 CC(C)[C@H]1CC[C@@H](C)C[C@H]1N 8671AA [0,0,0,1,0,0|1,0,0]=2 14 B9R0.48 CCCC(C)CCC(C)=O 6799AL [0,0,0,0,1,0|2,0,1]=4 15 B8R0.6 CCC(C)NCCCN 0775AF [2,0,0,0,0,0|2,0,0]=4 16 B8R0.6 NCCCC[C@H](N)CO 1979AA [2,0,0,0,0,0|2,0,0]=4 17 B8R0.7 CC(C)CNCCCO 9143AD [2,0,0,0,0,0|1,0,0]=3 18 B8R0.7 CCCCCC[C@H](C)O D263 [2,0,0,0,0,0|1,0,0]=3 19 B8R0.7 CN(C)CCCCCN 3543AB [2,0,0,0,0,0|2,0,0]=4 20 B8R0.7 CN(C)CCNCCO 2146AE [2,0,0,0,0,0|2,0,0]=4 21 B8R0.7 CNCCCNC(C)C 5056AD [2,0,0,0,0,0|2,0,0]=4 22 B8R0.28 CC(C)CSCC(C)C 8004AF [2,0,0,0,0,0|1,0,0]=3 23 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [2,0,0,0,0,0|0,0,2]=4 24 B8R0.4 C=CCCCCCCC 8130AF [2,0,0,0,0,0|1,0,1]=4 25 B8R0.4 C=CCCCCCCO 6892AL [2,0,0,0,0,0|0,0,2]=4 26 B8R0.4 CCCCCCCCC 8936AJ [2,0,0,0,0,0|1,0,0]=3 27 B8R0.4 CCCCCCCSC 8022AL [2,0,0,0,0,0|2,0,0]=4 28 B8R0.4 CCCCCOCCO 6511AH [2,0,0,0,0,0|1,0,0]=3 29 B8R0.4 CC\C=C/CCCCO 7454AL [2,0,0,0,0,0|0,0,2]=4 30 B8R0.4 CNCCCCCCO 4396AE [2,0,0,0,0,0|1,0,0]=3 31 B8R0.4 NCCCNCCCO 2647AE [2,0,0,0,0,0|2,0,0]=4 32 B8R0.4 OCCCNCCCO Y7497 [2,0,0,0,0,0|2,0,0]=4 33 B8R0.1 CCCCC(Br)CCC 7975AF [2,0,0,0,0,0|2,0,0]=4 34 B10R0.74 CCCCCCCC(O)CO 4474AL [1,1,0,0,0,0|2,0,0]=4 35 B10R0.1 CCCCCCC(O)CCC 6468AL [1,1,0,0,0,0|2,0,0]=4 36 B10R0.24 CCCCCC(CO)CCC 2176AL [1,1,0,0,0,0|1,0,0]=3 37 B10R0.91 CCCCCC(O)CCCC 6764AL [1,1,0,0,0,0|2,0,0]=4 38 B10R1.13 CC(C)C1CCC(N)CC1 7402AB [1,0,0,1,0,0|1,0,0]=3 39 B10R1.13 CC(C)N1CCC(N)CC1 X9698 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.13 CC(O)C1CCN(C)CC1 9372AH [1,0,0,1,0,0|2,0,0]=4 41 B10R1.13 CN(C)C1CCC(N)CC1 Z3819 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.13 CN(C)C1CCC(O)CC1 W7344 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 Z3309 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 Z3452 [1,0,0,1,0,0|2,0,0]=4 45 B10R1.31 CC(C)N1CCC(CN)C1 2681AF [1,0,0,1,0,0|2,0,0]=4 46 B10R1.171 CC1(C)CC(CN)CCO1 6995AB [1,0,0,1,0,0|2,0,0]=4 47 B10R1.171 CC1(C)CC(CO)CCO1 8441AH [1,0,0,1,0,0|1,0,0]=3 48 B10R1.171 CCN1CCNC(C)(C)C1 9830AH [1,0,0,1,0,0|2,0,0]=4 49 B10R1.10 CC1CCCN(CCN)C1 0844AF [1,0,0,1,0,0|2,0,0]=4 50 B10R1.10 CN1CCOC(CCO)C1 4476AF [1,0,0,1,0,0|2,0,0]=4 51 B10R1.16 CN1CCC(OCCO)C1 Z2359 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.18 CC(C)CC1CCCCC1 8087AL [1,0,0,1,0,0|1,0,0]=3 53 B10R1.18 CC(C)CC1COCCN1 4477AF [1,0,0,1,0,0|2,0,0]=4 54 B10R1.18 CC(C)C[C@H]1CNCCN1 1445AA [1,0,0,1,0,0|2,0,0]=4 55 B10R1.18 CN(C)CC1CNCCO1 4419AA [1,0,0,1,0,0|2,0,0]=4 56 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N W7842 [1,0,0,1,0,0|2,0,0]=4 57 B10R1.61 CN(C)[C@H]1CCCC[C@@H]1N 4485AA [1,0,0,1,0,0|2,0,0]=4 58 B10R1.66 CC(C)CCC1CCNC1 8553AC [1,0,0,1,0,0|2,0,0]=4 59 B10R1.11 CC(CCO)N1CCCC1 4986AD [1,0,0,1,0,0|1,0,0]=3 60 B10R1.11 CN(CCO)C1CCNC1 1457AD [1,0,0,1,0,0|2,0,0]=4 61 B10R1.21 CCCCOC1CCNC1 4069AF [1,0,0,1,0,0|2,0,0]=4 62 B10R1.21 CCCOCC1CCNC1 4079AF [1,0,0,1,0,0|2,0,0]=4 63 B10R1.85 CCNC1CCCCCC1 3947AE [1,0,0,1,0,0|2,0,0]=4 64 B10R1.85 ClCCN1CCCCCC1 3008AH [1,0,0,1,0,0|2,0,0]=4 65 B10R1.85 NCCC1CCCCCC1 3123AA [1,0,0,1,0,0|1,0,0]=3 66 B10R1.85 NCCN1CCCCCC1 W5245 [1,0,0,1,0,0|2,0,0]=4 67 B10R1.1 CCCC1CCC(N)CC1 6678AL [0,0,0,1,1,0|2,0,0]=4 68 B10R1.1 CCC[C@H]1CC[C@H](O)CC1 9234AL [0,0,0,1,1,0|2,0,0]=4 69 B10R1.1 CN1CCC(CCN)CC1 V4272 [0,0,0,1,1,0|2,0,0]=4 70 B10R1.1 NC1CCN(CCO)CC1 1133AJ [0,0,0,1,1,0|2,0,0]=4 71 B10R1.1 NCCC1CCC(N)CC1 5012AL [0,0,0,1,1,0|2,0,0]=4 72 B10R1.1 NCCC1CCC(O)CC1 6179AL [0,0,0,1,1,0|2,0,0]=4 73 B10R1.1 O=C1CCC(CCO)CC1 3716AB [0,0,0,1,1,0|1,0,1]=4 74 B10R1.1 OCCC1CCC(O)CC1 6184AL [0,0,0,1,1,0|1,0,0]=3 75 B10R1.95 CC1(C)OC[C@@H](CCO)O1 X3598 [0,0,0,1,1,0|2,0,0]=4 76 B12R1.255 CC(C)CCOCC1CCNC1 2064AD [0,0,0,1,0,1|1,0,0]=3 77 B12R1.389 CC(C)N1CCC(CC(=O)O)C1 2083AD [0,1,0,1,0,0|1,0,1]=4 78 B12R1.113 CC(C)N1CCC(CCN)CC1 6004AA [0,1,0,1,0,0|2,0,0]=4 79 B12R1.252 CC(C)COCC1CCCNC1 8129AC [0,1,0,1,0,0|2,0,0]=4 80 B12R1.252 CC(C)OCCC1CCCCN1 1608AD [0,1,0,1,0,0|2,0,0]=4 81 B12R1.252 CC(C)OCCC1CCCNC1 2258AD [0,1,0,1,0,0|2,0,0]=4 82 B12R1.252 CC(C)OCCC1CCNCC1 2147AD [0,1,0,1,0,0|2,0,0]=4 83 B12R1.438 CC(C)CN1CCCC(CO)C1 3119AF [0,1,0,1,0,0|2,0,0]=4 84 B12R1.57 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1C#N 6072AD [0,1,0,1,0,0|1,0,0]=3 85 B12R2.2383 C1CC(COCC2CC2)CN1 2394AD [0,0,0,2,0,0|2,0,0]=4 86 B8R0.9 CCC(=O)CCC(C)C 7962AF [1,0,0,0,1,0|1,0,1]=4 87 B8R0.9 CCC(C)CCC(C)O 6794AL [1,0,0,0,1,0|1,0,0]=3 88 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [1,0,0,0,1,0|1,0,1]=4 89 B8R0.5 CC(O)CN(C)CCO AMTGC580 [0,0,0,0,2,0|2,0,0]=4 90 B8R0.5 CCCC(C)CC(C)C 5321AL [0,0,0,0,2,0|1,0,0]=3