0 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.2 CC(C)CC(=O)NN 3014977 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.2 CC(C)CC(=O)NN 4032888 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.2 CC(C)NC(=O)CBr 4023681 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 CC(C)NC(=O)CN 4030242 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 CC(C)NC(=O)CN 4091078 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 CC(O)CC(=O)NN 3015526 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.2 CCC(N)CN(C)C 4026183 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.2 CNC(C)CC(C)C 4027376 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.2 CNC(C)CC(C)C 4089905 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.2 COC(=O)CC(=N)N 4042869 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CC(C)CNCCO 4029069 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 CCCCNC(C)C 4024831 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 CCCC(C)NCC 4024861 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.7 CCNC(=O)CCCl 4027744 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.7 CCOC(=O)CCO 4040900 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.7 CCOC(C)CNC 4030660 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.44 CC(C)(C)NC(=O)CCCl 4027282 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.58 CC(C)CS(=O)(=O)CCN 4040271 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.38 CC1CC(=O)NC1(C)C 4044938 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.41 CC(C)N1CCNC1=O 4041535 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.75 O=C(CCCl)NC1CC1 5694825 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,0,0,1,0,0|2,0,1]=4 25 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,0,0,0,1,0|2,0,0]=3 26 B7R0.5 CN(C)C(=O)CCCl 4027165 [0,0,0,0,1,0|3,0,0]=4 27 B7R0.5 CN(C)C(=O)CCN 4033580 [0,0,0,0,1,0|3,0,0]=4 28 B7R0.5 CN(C)C(=O)CCO 4035245 [0,0,0,0,1,0|3,0,0]=4 29 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,0,0,0,0,1|0,0,3]=4 30 B6R0.1 CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.1 CCCC(N)CC 4028240 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.1 CCCC(N)CC 4088911 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.1 CCNC(=O)CBr 4023688 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.1 CNC(=O)CCCl 4027989 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.1 CNC(=O)CCO 4035059 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 COC(=O)CCO 4041011 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.2 CC(C)CC(=N)N 4012906 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.6 CCOCCNC 4030249 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.2 CC(C)N(C)C(=O)CCl 4028437 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.19 CCC(C)NC(=O)CCl 4028165 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.19 CCN(C)CC(C)CN 4028082 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.19 CNC(=O)CC(C)NC 4034214 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.19 CNC(=O)CC(C)NC 4088864 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [1,1,0,0,0,0|1,0,1]=4 46 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.24 CC(C)(C)NC(=O)CCl 4028666 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.24 CC(C)(C)NC(=O)CN 4028896 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.24 CC(C)(C)NC(=O)CN 4088560 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.8 CCCNC(C)C(C)C 4024851 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.8 CCCNC(C)C(C)C 4088422 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.3 CCOC(=O)C(=O)CC 4013605 [1,1,0,0,0,0|0,0,1]=3 53 B10R0.26 CCOC(=O)CC(N)C(C)C 4012462 [0,1,0,0,0,1|0,0,0]=2 54 B10R0.37 CCC(Br)C(=O)NC(C)(C)C 4024587 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,2,0,0,0,0|1,0,0]=3 56 B8R1.4 CC1CCCC(=O)N1 4027532 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.4 CC1COCC(=O)N1 4028237 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.18 CN1CC(N)CC1=O 4014078 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.40 NCC(=O)NC1CC1 4031002 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.40 O=C(CCl)NC1CC1 4027313 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.42 CC(C)CC1(N)CC1 4021537 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.51 CC1(C)CCC(=O)C1 4042132 [1,0,0,1,0,0|0,0,0]=2 65 B8R1.51 CC1(C)CNC(=O)C1 4026748 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.51 CC1(C)COC(=O)C1 4108200 [1,0,0,1,0,0|0,0,0]=2 67 B8R1.51 CC1(C)COC(=O)N1 4044911 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.7 CC(C)C1C=CCN1 4030034 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.22 CC1CCCNCC1 4041336 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.35 CC(C)CNC1CC1 4030537 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.72 CC1(C)CCCNC1 4029954 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.72 CC1(C)CCNCC1 4023814 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.11 CCC1CCNC1=O 4035898 [1,0,0,1,0,0|1,0,0]=3 74 B8R1.5 CC1NCCNC1=O 4028234 [0,0,0,1,1,0|2,0,0]=4 75 B8R1.5 CC1OCCNC1=O 4045691 [0,0,0,1,1,0|2,0,0]=4 76 B8R1.5 CC1SCCNC1=O 4044376 [0,0,0,1,1,0|2,0,0]=4 77 B8R1.5 CN1CCCNC1=O 4035075 [0,0,0,1,1,0|2,0,0]=4 78 B8R1.5 NC1CCCNC1=O 4002400 [0,0,0,1,1,0|2,0,0]=4 79 B10R1.64 CN(C)CC1CCCC1=O 4023728 [0,0,0,1,0,1|2,0,0]=4 80 B10R1.113 CC(C)C1CC(=O)CCO1 4052864 [0,0,0,1,0,1|2,0,0]=4 81 B10R1.138 CCOC(=O)\C=C\C1CC1 4069949 [0,0,0,1,0,1|0,0,1]=3 82 B10R1.140 CCOC(=O)C1CC(=O)C1 4108294 [0,0,0,1,0,1|1,0,1]=4 83 B10R1.18 CC(C)CC1CNCCO1 4018982 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.18 CC(C)CC1COCCN1 4021667 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.18 CC(C)CC1COCCN1 4087891 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.61 CC(C)C1NCCNC1=O 4016229 [0,1,0,1,0,0|1,0,0]=3 87 B10R1.130 CCCN1CC(N)CC1=O 4014080 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.212 CCOC(=O)C(=O)C1CC1 4045746 [0,1,0,1,0,0|0,0,1]=3 89 B10R1.35 CCN1CC(CN)CC1=O 4002895 [0,1,0,1,0,0|1,0,0]=3 90 B10R1.35 CCN1CC(CO)CC1=O 4034970 [0,1,0,1,0,0|1,0,0]=3 91 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 4091297 [0,0,0,2,0,0|2,0,0]=4 92 B6R0.3 CC(C)C(=O)NN 3015435 [1,0,0,0,1,0|2,0,0]=4 93 B6R0.3 CN(C)C(=O)CN 4029380 [1,0,0,0,1,0|2,0,0]=4 94 B6R0.3 CN(C)C(=O)CO 4033769 [1,0,0,0,1,0|2,0,0]=4 95 B6R0.3 CNC(=O)C(C)Cl 4026929 [1,0,0,0,1,0|2,0,0]=4 96 B6R0.3 CNC(=O)C(C)N 4033710 [1,0,0,0,1,0|2,0,0]=4