0 B8R0.5 CC(C)NC(=O)CCCl 4032028 [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|3,0,1]=4 2 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.2 CC(C)CC(=O)NN 3014977 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.2 CC(C)CC(=O)NN 4032888 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.2 CC(C)NC(=O)CBr 4023681 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.2 CC(C)NC(=O)CN 4030242 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 CC(C)NC(=O)CN 4091078 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CC(O)CC(=O)NN 3015526 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.2 CNC(=O)CC(=O)O 4027258 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 COC(=O)CC(=N)N 4042869 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.7 CCCC(C)NCC 4024861 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.7 CCNC(=O)CCCl 4027744 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.7 CCNC(C)CCO 4027124 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 CCOC(=O)CCO 4040900 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.7 CCOC(C)CNC 4030660 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.38 CC1CC(=O)NC1(C)C 4044938 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.41 CC(C)N1CCNC1=O 4041535 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.48 CC1CCCCC(=O)N1 4085312 [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|1,0,2]=4 20 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,0,0,0,1,0|2,0,0]=3 21 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,0,0,0,0,1|1,0,2]=4 22 B6R0.1 CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.1 CCCC(N)CC 4028240 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.1 CCCC(N)CC 4088911 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.1 CCNC(=O)CBr 4023688 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.1 CNC(=O)CCCl 4027989 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.1 CNC(=O)CCO 4035059 [2,0,0,0,0,0|1,0,0]=3 28 B6R0.1 CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.1 COC(=O)CCO 4041011 [2,0,0,0,0,0|0,0,0]=2 30 B6R0.6 CCOCCNC 4030249 [2,0,0,0,0,0|1,0,1]=4 31 B8R0.19 CNC(=O)CC(C)NC 4034214 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.19 CNC(=O)CC(C)NC 4088864 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [1,1,0,0,0,0|0,0,2]=4 34 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [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|0,0,1]=3 36 B10R0.26 CCOC(=O)CC(N)C(C)C 4012462 [0,1,0,0,0,1|1,0,0]=3 37 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,2,0,0,0,0|1,0,0]=3 38 B8R1.4 CC1CCCC(=O)N1 4027532 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [1,0,0,1,0,0|1,0,1]=4 41 B8R1.18 CN1CC(N)CC1=O 4014078 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.51 CC1(C)CCC(=O)C1 4042132 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.51 CC1(C)CNC(=O)C1 4026748 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.51 CC1(C)COC(=O)C1 4108200 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.51 CC1(C)COC(=O)N1 4044911 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.22 OC1CCCNCC1 4030734 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.72 CC1(O)CCCNC1 4016060 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.11 CCC1CCNC1=O 4035898 [1,0,0,1,0,0|1,0,0]=3 49 B8R1.5 CC1NCCNC1=O 4028234 [0,0,0,1,1,0|2,0,0]=4 50 B8R1.5 CC1OCCNC1=O 4045691 [0,0,0,1,1,0|1,0,0]=3 51 B8R1.5 CC1SCCNC1=O 4044376 [0,0,0,1,1,0|1,1,0]=4 52 B8R1.5 NC1CCCNC1=O 4002400 [0,0,0,1,1,0|2,0,0]=4 53 B10R1.64 O=C(O)CN1CCOC1=O 4002138 [0,0,0,1,0,1|1,0,1]=4 54 B10R1.138 CCOC(=O)\C=C\C1CC1 4069949 [0,0,0,1,0,1|1,0,1]=4 55 B10R1.140 CCOC(=O)C1CC(=O)C1 4108294 [0,0,0,1,0,1|0,0,2]=4 56 B10R1.61 CC(C)C1NCCNC1=O 4016229 [0,1,0,1,0,0|2,0,0]=4 57 B10R1.130 CCCN1CC(N)CC1=O 4014080 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.212 CCOC(=O)C(=O)C1CC1 4045746 [0,1,0,1,0,0|1,0,1]=4 59 B10R1.35 CCN1CC(CN)CC1=O 4002895 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.35 CCN1CC(CO)CC1=O 4034970 [0,1,0,1,0,0|1,0,0]=3 61 B6R0.3 CNC(=O)C(C)Cl 4026929 [1,0,0,0,1,0|2,0,0]=4 62 B6R0.3 CNC(=O)C(C)N 4033710 [1,0,0,0,1,0|2,0,0]=4