0 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CCC(=O)NCCN 4110359 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CNC(=O)CCCN 4030090 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 CC(=O)NCCCO 4032317 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CCCOCC(=O)O 4020861 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCSCC(=O)O 4028731 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 CCSCCC(=O)O 4028457 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.5 CCOC(C)C(=O)O 4020873 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.5 CCSC(C)C(=O)O 4028492 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.5 CN(C)C(=O)CCN 4033580 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.5 CNCC(C)C(=O)O 4043069 [1,0,0,0,0,0|2,0,1]=4 14 B9R0.7 CC(C)CNC(=O)C(=O)O 4030063 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.42 CCC(C)NC(=O)C(=O)O 4027251 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.6 CC(=O)C1CCCNC1 4005879 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.6 CC(=O)C1CCCNC1 4087824 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.6 O=C(O)C1=CCCNC1 4141599 [0,0,0,1,0,0|1,0,1]=3 19 B9R1.6 O=C(O)C1=CCCOC1 4019307 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.6 O=C(O)C1CCCCO1 4014945 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.23 CN1CC(CN)CC1=O 4003814 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.163 CC1(C(=O)O)CCCC1 4043330 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.163 CC1(C(=O)O)CCCN1 4039700 [0,0,0,1,0,0|1,0,1]=3 24 B9R1.163 CC1(C(=O)O)CCCO1 4018168 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.163 C[C@]1(C(=O)O)CCCN1 4142037 [0,0,0,1,0,0|1,0,1]=3 26 B9R1.163 O=C(O)C1(O)CCCC1 4030817 [0,0,0,1,0,0|1,0,2]=4 27 B9R0.4 CCCCC(N)CC(=O)O 4012458 [0,0,0,0,0,1|2,0,1]=4 28 B6R0.1 CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.1 CCC\C(N)=N\O 4030621 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.1 CCC\C(N)=N\O 4089955 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.4 CNCCC(=O)O 4036102 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.4 NC(=O)CCCCl 4028442 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.6 C=CCCCCN 4067494 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.28 NC(=O)CCCC(=O)O 4027348 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.12 CC(C)(CCN)C(=O)O 4030205 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.15 CCCC(NC)C(=O)O 4044041 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [1,1,0,0,0,0|1,0,0]=3 38 B10R0.67 CCC(C)(C)NC(=O)C(=O)O 4028476 [0,2,0,0,0,0|2,0,0]=4 39 B8R1.1 CC1=NOC(CN)C1 4010754 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.1 NCC1CNC(=O)C1 4002894 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.5 CN1CCCNC1=O 4035075 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.5 NC1CCCNC1=O 4002400 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.50 CN1CCC(N)C1=O 4019955 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.7 O=C(O)C1CCCS1 4045536 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.34 O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|1,0,1]=4 46 B10R1.61 O=C(O)C1CCCNC1=O 4006056 [0,0,0,1,0,1|2,0,0]=4 47 B10R1.268 O=C(O)CS(=O)CC1CC1 4028139 [0,0,0,1,0,1|2,0,0]=4 48 B10R1.23 O=C(O)C(=O)N1CCCC1 4030570 [0,1,0,1,0,0|1,0,0]=3 49 B10R1.176 CN1CC(CN)OCC1=O 4078877 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.411 COC(=O)[C@]1(C)CCCN1 4042288 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.477 CCC1(C(=O)O)CCCN1 4039709 [0,1,0,1,0,0|1,0,1]=4 52 B10R1.363 CC1(C(=O)O)CCCNC1 4043455 [0,1,0,1,0,0|1,0,1]=4