0 B8R0.6 CCCCCC(C)CC 6116AL [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 CCCCCC(O)CCl 7654AB [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 COCCOC(=O)CCl 7354AL [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C=CC\C=C\CCC 4639AL [1,0,0,0,0,0|0,0,3]=4 4 B7R0.1 CCCCCCNC Y1198 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.1 CC\C=C/CCCC 7443AL [1,0,0,0,0,0|0,0,3]=4 6 B7R0.3 C=CC(=O)NCCC 3769AL [1,0,0,0,0,0|1,0,0]=2 7 B7R0.3 CCCCC(=O)CCl 6831AD [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 CNC(=O)CCCO 2742AL [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 C=C(C)CC\C=C\C 5695AL [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CCCCC[C@@H](C)N Z2122 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.4 NCCNCC(=O)O W4767 [1,0,0,0,0,0|3,0,0]=4 12 B9R0.24 CCC(=O)CCC(=O)CC 3019AB [0,1,0,0,0,0|0,0,3]=4 13 B9R0.46 C=CC(=O)NCCCOC 0540AQ [0,1,0,0,0,0|1,0,0]=2 14 B9R0.46 C=CCCCCC(=O)OC 0116AQ [0,1,0,0,0,0|1,0,2]=4 15 B9R1.1 NCC1CCC(=O)CC1 5848AC [0,0,0,1,0,0|1,0,2]=4 16 B9R1.5 CN1CCCNCC1=O 8136AE [0,0,0,1,0,0|2,0,1]=4 17 B9R1.11 NOC(=O)C1CCOC1 Y5069 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.11 O=C(CBr)N1CCCC1 2846AF [0,0,0,1,0,0|2,0,1]=4 19 B9R1.50 NC1C=CCCCCC1 5931AD [0,0,0,1,0,0|1,0,1]=3 20 B9R1.79 COC(=O)CC1CCC1 1218AC [0,0,0,1,0,0|1,0,1]=3 21 B9R1.79 COC(=O)CC1COC1 1315AD [0,0,0,1,0,0|2,0,1]=4 22 B9R1.81 COC(=O)[C@H]1CC[C@H]1N 4769AE [0,0,0,1,0,0|2,0,1]=4 23 B9R1.132 CN1C(=O)CCC1CN X2997 [0,0,0,1,0,0|2,0,1]=4 24 B6R0.6 COCCCC=O Y8222 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.1 CCCC(=O)OC 8838AJ [2,0,0,0,0,0|1,0,1]=4 26 B6R0.4 CCCC[Sn](=O)O 8518AL [2,0,0,0,0,0|2,0,0]=4 27 B8R0.4 CCCCCC\C=C\I 0029AQ [1,1,0,0,0,0|0,0,1]=3 28 B8R0.4 O=CCCCCCCBr 3685AJ [1,1,0,0,0,0|1,0,1]=4 29 B8R0.7 C=C(Br)CCCCCC 3761AD [1,1,0,0,0,0|0,0,1]=3 30 B8R0.8 C=C(C)C(=O)OCCF 8148AE [1,1,0,0,0,0|2,0,0]=4 31 B8R0.28 C=C(C)CCCC(C)C 5416AL [1,1,0,0,0,0|1,0,0]=3 32 B10R0.44 C=CC(=C)CC(O)CC(C)C 7381AJ [0,2,0,0,0,0|1,0,0]=3 33 B10R0.44 COC(=O)CC(N)CC(C)C TMBA019 [0,2,0,0,0,0|1,0,1]=4 34 B10R0.1 CCOC(=O)CCCCCN 3404AL [0,2,0,0,0,0|0,0,2]=4 35 B10R0.124 CCCCC(F)(F)C(=O)OC 7040AB [0,2,0,0,0,0|1,0,1]=4 36 B8R1.2 BrC=C1CCCCC1 0651AQ [1,0,0,1,0,0|1,0,0]=3 37 B8R1.2 COC1C=CCCC1 6080AL [1,0,0,1,0,0|1,0,1]=4 38 B8R1.2 NCC1CCC=CO1 2289AL [1,0,0,1,0,0|2,0,0]=4 39 B8R1.1 O=C1C=C[C@@H](CO)O1 N842 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.38 CNC(=O)C1CCC1 4798AA [1,0,0,1,0,0|1,0,1]=4 41 B8R1.4 CC1CCCC(=O)N1 6454AJ [1,0,0,1,0,0|1,0,0]=3 42 B8R1.4 CC1CCNC(=O)N1 V4468 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [1,0,0,1,0,0|2,0,0]=4 44 B8R1.7 CC(=O)[C@@H]1CCCO1 5805AA [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 CC(=O)[C@H]1CCCO1 0229AC [1,0,0,1,0,0|1,0,1]=4 46 B8R1.7 NC(=O)N1CCCC1 4081AE [1,0,0,1,0,0|2,0,0]=4 47 B8R1.31 CC1CCC1C(=O)O 5817AB [1,0,0,1,0,0|1,0,0]=3 48 B8R1.34 O=C(O)CN1CCC1 1240AJ [1,0,0,1,0,0|2,0,0]=4 49 B8R1.34 O=C(O)CN1CCC1 9681AH [1,0,0,1,0,0|2,0,0]=4 50 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 0975AB [0,1,0,1,0,0|0,0,0]=2 51 B10R1.14 COC(=O)C1C=CC(=O)C1 8926AB [0,1,0,1,0,0|1,0,1]=4 52 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 9012AA [0,1,0,1,0,0|1,0,1]=4 53 B10R1.197 CCC1CCNC(=O)CC1 0938AE [0,1,0,1,0,0|0,0,2]=4 54 B10R1.25 CCN1CCC(=O)CC1=O 5123AJ [0,1,0,1,0,0|1,0,1]=4 55 B10R1.15 COC(=O)[C@@H]1CCCCN1 5103AC [0,1,0,1,0,0|1,0,1]=4 56 B10R1.15 NNC(=O)C1CCCNC1 8172AE [0,1,0,1,0,0|2,0,0]=4 57 B10R1.15 O=C(CBr)N1CCCCC1 9420AA [0,1,0,1,0,0|1,0,1]=4 58 B10R1.182 COC(=O)[C@@H](N)C1CCC1 4095AA [0,1,0,1,0,0|1,0,1]=4 59 B10R1.182 COC(=O)[C@H](N)C1CCC1 4748AA [0,1,0,1,0,0|1,0,1]=4 60 B10R1.411 COC(=O)C1(C)CCCC1 4021AE [0,1,0,1,0,0|1,0,1]=4 61 B10R1.27 COC(=O)CC1CCCN1 4209AJ [0,1,0,1,0,0|1,0,1]=4 62 B10R1.27 COC(=O)CC1CCCN1 TMBA033 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.27 COC(=O)CC1CCCO1 0352AB [0,1,0,1,0,0|1,0,1]=4 64 B10R1.27 COC(=O)CC1CCNC1 6391AC [0,1,0,1,0,0|1,0,1]=4 65 B10R1.27 COC(=O)C[C@@H]1CCCN1 Z4512 [0,1,0,1,0,0|1,0,1]=4 66 B10R1.149 COC(=O)C1CCCC1N 4088AB [0,1,0,1,0,0|1,0,1]=4 67 B10R1.149 COC(=O)C1CNCC1C 1878AF [0,1,0,1,0,0|1,0,1]=4 68 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N W3364 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.149 COC(=O)[C@@H]1CCC[C@H]1N 8741AA [0,1,0,1,0,0|1,0,1]=4 70 B10R1.16 CCCCN1C=CC(N)=N1 8995AE [0,1,0,1,0,0|2,0,0]=4 71 B10R2.25 [C@H]12CC[C@H](C1)C(=C)C2=O 6112AL [0,0,0,2,0,0|0,0,0]=2 72 B10R2.14 O=C1CC(C2CC2)CN1 X9678 [0,0,0,2,0,0|1,0,1]=4