0 B7R0.5 CC(=O)N(C)CCO 4036108 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.5 CCNC(C)C(N)=O 4030069 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CCNC(C)C(N)=O 4089759 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 CCOC(C)C(=O)O 4020873 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CCSC(C)C(=O)O 4028492 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.5 CN(C)C(=O)CCCl 4027165 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.5 CN(C)C(=O)CCN 4033580 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.5 CN(C)C(=O)CCO 4035245 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.1 CCCC(=O)NN 3002586 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CCNC(=O)CBr 4023688 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CNC(=O)CCCl 4027989 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CNC(=O)CCO 4035059 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CNCC(=O)NC 4033340 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 COC(=O)CCO 4041011 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.3 CN(C)C(=O)CN 4029380 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 CN(C)C(=O)CO 4033769 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.3 CNC(=O)C(C)Cl 4026929 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 CNC(=O)C(C)N 4033710 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 COC(C)C(=O)O 4020866 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CCOCC(=N)N 4018504 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCOCC(=N)N 4088124 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 COCCC(C)=O 4022132 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.2 CCC(Br)C(=O)N(C)C 4045008 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.2 CCC(N)C(=O)N(C)C 4032154 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.2 CCN(C)C(=O)C(C)Br 4028266 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|0,0,0]=1 29 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.12 CCOC(C)(C)C(=O)O 4021501 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.5 CC1NCCNC1=O 4028234 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.5 CC1OCCNC1=O 4045691 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.5 CC1SCCNC1=O 4044376 [0,0,0,1,0,0|1,1,1]=4 43 B8R1.5 CN1CCCNC1=O 4035075 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.5 NC1CCCNC1=O 4002400 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.7 CC(=O)C1CCCC1 4031395 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.7 CC(=O)C1CCCO1 4075977 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.19 CC1(C)CCNC1=O 4035085 [0,0,0,1,0,0|2,0,1]=4 48 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,0,0,0,0,1|3,0,0]=4 49 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,0,0,0,0,1|2,0,0]=3 50 B5R0.3 CNC(=O)CBr 4023689 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 CNC(=O)CCl 4031514 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.3 CNC(=O)CN 4030580 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|2,0,0]=4 54 B7R0.3 CCC(=O)NCCN 4110359 [1,1,0,0,0,0|1,0,1]=4 55 B7R0.3 CCOCC(=O)NN 4024074 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.3 CCOCC(=O)NN 4089996 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.3 CNC(=O)CCCN 4030090 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.3 CNCCC(=O)NC 4030744 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.7 CCNC(=O)CCCl 4027744 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.7 CCOC(=O)CCO 4040900 [1,1,0,0,0,0|0,0,1]=3 61 B7R0.10 CCC(N)C(=O)NC 4033837 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.16 CC(Br)C(=O)N(C)C 4027414 [1,1,0,0,0,0|2,0,0]=4 64 B7R0.16 CC(N)C(=O)N(C)C 4033000 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.16 CC(N)C(=O)N(C)C 4088550 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.16 CC(O)C(=O)N(C)C 4035486 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.4 CC(=O)NCCCO 4032317 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.4 CCCOCC(=O)O 4020861 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.6 CC(C)OCC(=O)O 4020858 [1,1,0,0,0,0|1,0,1]=4 70 B9R0.41 CCN(CC)C(=O)C(=O)O 4028867 [0,2,0,0,0,0|2,0,0]=4 71 B9R0.7 CC(C)CNC(=O)C(=O)O 4030063 [0,2,0,0,0,0|2,0,0]=4 72 B9R0.42 CCC(C)NC(=O)C(=O)O 4027251 [0,2,0,0,0,0|2,0,0]=4 73 B9R0.57 CC(C)(C)NC(=O)C(=O)O 4027307 [0,2,0,0,0,0|2,0,0]=4 74 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.20 CC(=O)CC1CC1 4002838 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.7 CCOC1=CC(C)=NN1 4028938 [0,0,0,1,0,1|2,0,0]=4 80 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,0,0,1,0,1|1,0,0]=3 81 B9R1.37 CC1NC(=O)N(C)C1=O 4045797 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.6 O=C(O)C1=CCCOC1 4019307 [0,1,0,1,0,0|2,0,0]=4 83 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,0,0,0,0,2|1,0,0]=3