0 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.2 CCC(C)CC(C)=O 4031282 [1,0,0,0,0,0|1,0,1]=3 4 B7R0.2 CCN(C)CC(=O)O 4026801 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.2 CCN(C)CC(C)=O 4028374 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 CCN(C)CC(C)=O 4088950 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 CNC(=O)CC(=N)N 4043145 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CNC(=O)CC(=O)O 4027258 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 COC(=O)CC(=N)N 4042869 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CCCOCC(=O)O 4020861 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 CCCSCC(=O)O 4028731 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 CCSCCC(=O)O 4028457 [1,0,0,0,0,0|1,1,1]=4 13 B7R0.7 CCNC(=O)CCCl 4027744 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 CCOC(=O)CCO 4040900 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.7 CCOC(C)CNC 4030660 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.7 CCOC1=CC(C)=NN1 4028938 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.66 O=C1CS(=O)(=O)CCN1 4045777 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,0,0,1,0,0|1,0,0]=2 20 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,0,0,0,1,0|2,0,1]=4 21 B7R0.5 CCOC(C)C(=O)O 4020873 [0,0,0,0,1,0|2,0,1]=4 22 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,0,0,0,0,1|1,0,1]=3 23 B6R0.1 CCNC(=O)CBr 4023688 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.1 CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.1 COC(=O)CCO 4041011 [2,0,0,0,0,0|0,0,2]=4 26 B6R0.2 NC(=O)CC(=O)O 4027194 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 CCOCC(=N)N 4018504 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 CCOCC(=N)N 4088124 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 COCCC(C)=O 4022132 [2,0,0,0,0,0|0,0,1]=3 30 B6R0.6 CCOCCNC 4030249 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [1,1,0,0,0,0|0,0,0]=2 32 B8R0.23 CC(=O)CC(=O)C(F)F 3001897 [1,1,0,0,0,0|1,0,0]=3 33 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.34 CCS(=O)(=O)CC(=O)O 4027612 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.3 CCOC(=O)C(=O)CC 4013605 [1,1,0,0,0,0|0,0,2]=4 36 B10R0.26 CCOC(=O)CC(N)C(C)C 4012462 [0,1,0,0,0,1|1,0,1]=4 37 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,2,0,0,0,0|1,0,1]=4 38 B8R1.4 O=C1CNCC(=O)N1 4041602 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 O=C1COCC(=O)N1 4045755 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.42 CC(=O)CC1(C)CC1 4002837 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.51 CC1(C)CCC(=O)C1 4042132 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.51 CC1(C)COC(=O)C1 4108200 [1,0,0,1,0,0|1,0,1]=4 43 B8R1.51 O=C1CCS(=O)(=O)C1 4021927 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.7 CC(=O)C1CCCC1 4031395 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 CC(=O)C1CCCO1 4075977 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.11 CCC1CCNC1=O 4035898 [1,0,0,1,0,0|1,0,1]=4 47 B10R1.64 O=C(O)CN1CCCC1=O 4002073 [0,0,0,1,0,1|2,0,0]=4 48 B10R1.64 O=C(O)CN1CCOC1=O 4002138 [0,0,0,1,0,1|1,0,0]=3 49 B10R1.140 CCOC(=O)C1CC(=O)C1 4108294 [0,0,0,1,0,1|0,0,0]=2 50 B10R1.54 CC(=O)CC1=NC(C)=NO1 4002241 [0,1,0,1,0,0|1,0,1]=4 51 B10R1.61 O=C(O)C1CCCNC1=O 4006056 [0,1,0,1,0,0|2,0,0]=4