0 B8R0.1 CCOC(=O)CCC=O Y1687 [1,0,0,0,0,0|1,0,0]=2 1 B8R0.1 CCOC(=O)CCCCl X7914 [1,0,0,0,0,0|1,0,0]=2 2 B8R0.1 CCOCC(=O)OCC X4417 [1,0,0,0,0,0|1,0,1]=3 3 B8R0.6 COC(=O)CCNC=O 4147AB [1,0,0,0,0,0|2,0,0]=3 4 B10R0.1 CCCC(=O)OCCCCO 5459AE [0,1,0,0,0,0|2,0,1]=4 5 B10R0.1 CCOC(=O)CCCCCN 3404AL [0,1,0,0,0,0|0,0,2]=3 6 B10R0.1 CCOC(=O)\C=C\CCCCl 3021AL [0,1,0,0,0,0|1,0,2]=4 7 B10R0.19 CCOC(=O)C(=O)CCC#N 4746AD [0,1,0,0,0,0|1,0,2]=4 8 B10R0.19 CCOC(=O)C(Br)CCCBr 3060AB [0,1,0,0,0,0|1,0,1]=3 9 B10R0.19 CCOC(=O)[C@@H](N)CCCN 6084AC [0,1,0,0,0,0|1,0,1]=3 10 B10R0.108 CCOC(=O)CCC(=O)CC 0241AE [0,1,0,0,0,0|0,0,3]=4 11 B10R1.11 CCOC(=O)C1CC=NN1 Z5298 [0,0,0,1,0,0|2,0,1]=4 12 B10R1.11 CCOC(=O)[C@H]1CCNC1 6628AJ [0,0,0,1,0,0|1,0,1]=3 13 B10R1.21 O=CCCCC1OCCO1 Y7776 [0,0,0,1,0,0|1,0,2]=4 14 B10R1.135 CCOC(=O)[C@H]1C[C@@H]1CN 0481AF [0,0,0,1,0,0|1,0,1]=3 15 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,0,0,1,0,0|1,0,2]=4 16 B7R0.1 C=CC\C=C\CCC 4639AL [2,0,0,0,0,0|1,0,1]=4 17 B7R0.1 CC\C=C/CCC=O 8476AJ [2,0,0,0,0,0|1,0,1]=4 18 B7R0.1 CC\C=C/CCCC 7443AL [2,0,0,0,0,0|1,0,1]=4 19 B7R0.3 CCCCC(=O)CCl 6831AD [2,0,0,0,0,0|1,0,1]=4 20 B7R0.3 CNC(=O)CCCO 2742AL [2,0,0,0,0,0|2,0,0]=4 21 B7R0.7 CCOC(=O)NOC 2240AE [2,0,0,0,0,0|2,0,0]=4 22 B9R0.34 CCOC(=O)C[C@H](O)C#N 6012AA [1,1,0,0,0,0|1,0,1]=4 23 B9R0.34 CCOC(=O)C[C@H](O)CI 1321AL [1,1,0,0,0,0|1,0,0]=3 24 B9R0.35 C=C(CCC)C(=O)OCC 1429AQ [1,1,0,0,0,0|0,0,2]=4 25 B9R0.48 CCCC(=O)CCC(=O)O 3321AF [1,1,0,0,0,0|2,0,0]=4 26 B9R0.48 CCOC(=O)CC[N+](=O)[O-] Y8858 [1,1,0,0,0,0|2,0,0]=4 27 B9R0.45 C\C=C/CCCCCCC 7421AL [1,1,0,0,0,0|1,0,1]=4 28 B11R0.4 C=CCCCCCC(=O)OCC 1277AE [0,2,0,0,0,0|0,0,0]=2 29 B11R0.4 CCCCCC#CC(=O)OCC 7851AL [0,2,0,0,0,0|0,0,2]=4 30 B11R0.4 CCOC(=O)\C=C\CCCCCl 3076AL [0,2,0,0,0,0|1,0,1]=4 31 B11R0.5 CCOC(=O)CC(=O)CCOC X8722 [0,2,0,0,0,0|1,0,1]=4 32 B11R0.155 CCOC(=O)C(=O)CCCC#N 0856AF [0,2,0,0,0,0|1,0,1]=4 33 B11R0.174 CCOC(=O)CCCC(=O)CC 8446AE [0,2,0,0,0,0|0,0,1]=3 34 B11R0.165 CC(C)(C)OC(=O)NCCC=O Y3132 [0,2,0,0,0,0|2,0,0]=4 35 B9R1.15 COC1=CCCCC1=O 1767AJ [1,0,0,1,0,0|2,0,0]=4 36 B9R1.49 O=C1CCNC(=O)CC1 3823AJ [1,0,0,1,0,0|2,0,0]=4 37 B9R1.183 CCOC(=O)[C@H]1C[C@H]1F 3219AL [1,0,0,1,0,0|1,0,0]=3 38 B9R1.1 NCC1CCC(=O)CC1 5848AC [1,0,0,1,0,0|1,0,1]=4 39 B9R1.79 COC(=O)CC1CCC1 1218AC [1,0,0,1,0,0|0,0,2]=4 40 B9R1.79 COC(=O)CC1COC1 1315AD [1,0,0,1,0,0|1,0,1]=4 41 B9R1.81 COC(=O)[C@H]1CC[C@H]1N 4769AE [1,0,0,1,0,0|1,0,1]=4 42 B11R1.16 CCOC(=O)C1CNCCO1 X9930 [0,1,0,1,0,0|1,0,1]=4 43 B11R1.16 CCOC(=O)C1CSCCN1 W7174 [0,1,0,1,0,0|1,0,1]=4 44 B11R1.30 CCOC(=O)CC1=CC=CN1 3319AL [0,1,0,1,0,0|0,0,2]=4 45 B11R1.30 CCOC(=O)CC1CCCN1 6883AB [0,1,0,1,0,0|0,0,2]=4 46 B11R1.199 CCOC(=O)C1CCCC1=N 9751AB [0,1,0,1,0,0|0,0,1]=3 47 B11R1.199 CCOC(=O)C1CCCC1O 3350AL [0,1,0,1,0,0|0,0,2]=4 48 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O 9242AB [0,1,0,1,0,0|0,0,2]=4 49 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N 2432AA [0,1,0,1,0,0|0,0,2]=4 50 B11R1.199 CCOC(=O)[C@@H]1CNC[C@H]1C 4941AA [0,1,0,1,0,0|0,0,2]=4 51 B11R1.15 CCOC(=O)C1CCC(N)C1 2143AJ [0,1,0,1,0,0|0,0,2]=4 52 B11R1.15 CCOC(=O)C1CCC(O)C1 4067AJ [0,1,0,1,0,0|0,0,2]=4 53 B11R1.15 CCOC(=O)[C@@H]1CC[C@H](N)C1 Y5947 [0,1,0,1,0,0|0,0,2]=4 54 B11R1.565 O=C1CCC(C(=O)O)CCO1 6627AB [0,1,0,1,0,0|1,0,0]=3 55 B11R1.834 C=C[C@@H]1C[C@]1(N)C(=O)OCC Z7827 [0,1,0,1,0,0|0,0,0]=2 56 B11R2.3 O=C1OCCC12CCNC2 1837AJ [0,0,0,2,0,0|1,0,1]=4 57 B11R2.139 O=C1CC2CC(=O)CC2C1 4751AE [0,0,0,2,0,0|2,0,0]=4