0 B5R0.5 CC(C)C(=N)N 4034735 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.5 CC(C)C(=N)N 4088764 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.5 CC(O)C(=N)N 4048497 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.1 CC(=O)CN 4035253 [1,0,0,0,0,0|1,0,0]=2 4 B4R0.1 CC(C)NN 4032832 [1,0,0,0,0,0|3,0,0]=4 5 B4R0.1 CCC(=N)N 4012617 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CCC(=N)N 4090083 [1,0,0,0,0,0|2,0,0]=3 7 B4R0.1 N=C(N)CF 4028912 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.3 CC(C)C(=O)NN 3015435 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CC(C)C(O)CN 4038941 [0,1,0,0,0,0|2,0,1]=4 10 B6R0.3 CC(C)\C(N)=N\O 4031815 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.3 CC(CN)N(C)C 4026858 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.3 CC(O)C(=N)NO 4041720 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.3 CN(C)C(=O)CN 4029380 [0,1,0,0,0,0|3,0,0]=4 14 B6R0.3 CN(C)C(=O)CO 4033769 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.3 CNC(=O)C(C)Cl 4026929 [0,1,0,0,0,0|2,0,0]=3 16 B6R0.3 CNC(=O)C(C)N 4033710 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.3 CNC(C)C(C)C 4027192 [0,1,0,0,0,0|2,0,1]=4 18 B6R0.3 CNC(C)C(N)=O 4031071 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.3 COC(C)C(=O)O 4020866 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 CSC(C)C(=O)O 4034068 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.3 NC(=O)\C(N)=N\O 4045328 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.7 CC(C)(C)C(=N)N 4034719 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.7 CC(C)(N)C(N)=O 4029572 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.7 CC(C)C(C)(C)N 4045550 [0,1,0,0,0,0|2,0,1]=4 25 B6R0.7 CC(N)C(C)(C)O 4035420 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.7 CC(N)C(F)(F)F 4030935 [0,1,0,0,0,0|2,0,1]=4 27 B6R1.11 CC(N)C1CC1 4004109 [0,0,0,1,0,0|2,0,1]=4 28 B6R1.11 CC(N)C1CC1 4088031 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.11 N=C(N)C1CC1 4041549 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.11 N=C(N)C1CC1 4088692 [0,0,0,1,0,0|3,0,0]=4 31 B6R0.2 CC(C)CC(=N)N 4012906 [0,0,0,0,0,1|3,0,0]=4 32 B6R0.2 NC(=O)CC(=O)O 4027194 [0,0,0,0,0,1|1,0,1]=3 33 B5R0.1 C#CCC(=O)O 4035749 [1,1,0,0,0,0|0,0,1]=3 34 B5R0.1 C=C(C)CNN 4045392 [1,1,0,0,0,0|2,0,0]=4 35 B5R0.1 CC(N)CCO 4027026 [1,1,0,0,0,0|0,0,1]=3 36 B5R0.1 CC(O)CNN 4028962 [1,1,0,0,0,0|1,0,1]=4 37 B5R0.1 CNCC(C)O 4035012 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.1 COCC(=N)N 4018503 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.1 NC(=O)CCO 4070037 [1,1,0,0,0,0|1,0,0]=3 40 B5R0.1 NCCC(N)=O 4034723 [1,1,0,0,0,0|1,0,0]=3 41 B5R0.3 CC(CN)CO 4036254 [1,1,0,0,0,0|0,0,1]=3 42 B5R0.3 CC[C@@H](O)CN 4036900 [1,1,0,0,0,0|1,0,1]=4 43 B5R0.3 CC\C(N)=N\O 4030035 [1,1,0,0,0,0|1,0,0]=3 44 B5R0.3 CC\C(N)=N\O 4089717 [1,1,0,0,0,0|1,0,0]=3 45 B5R0.3 CNC(=O)CBr 4023689 [1,1,0,0,0,0|2,0,0]=4 46 B5R0.3 CNC(=O)CCl 4031514 [1,1,0,0,0,0|2,0,0]=4 47 B5R0.3 CNC(=O)CN 4030580 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.3 CNC(=O)CO 4032781 [1,1,0,0,0,0|1,0,0]=3 49 B5R0.3 CNC(C)CO 4028640 [1,1,0,0,0,0|0,0,1]=3 50 B5R0.3 COC(C)CN 4031070 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.3 COC(C)CO 4045600 [1,1,0,0,0,0|1,0,1]=4 52 B5R0.3 N\C(CO)=N/O 4045643 [1,1,0,0,0,0|1,0,1]=4 53 B7R0.2 CC(C)CC(=O)NN 3014977 [0,1,0,0,0,1|2,0,0]=4 54 B7R0.2 CC(C)CC(=O)NN 4032888 [0,1,0,0,0,1|2,0,0]=4 55 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,1|2,0,0]=4 56 B7R0.2 CC(C)NC(=O)CN 4030242 [0,1,0,0,0,1|2,0,0]=4 57 B7R0.2 CC(C)NC(=O)CN 4091078 [0,1,0,0,0,1|2,0,0]=4 58 B7R0.2 CC(O)CC(=O)NN 3015526 [0,1,0,0,0,1|2,0,0]=4 59 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,1|2,0,0]=4 60 B7R0.2 CCN(C)CC(=O)O 4026801 [0,1,0,0,0,1|2,0,0]=4 61 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,1,0,0,0,1|1,0,1]=4 62 B7R0.2 CNC(C)CC(=O)O 4035495 [0,1,0,0,0,1|0,0,0]=2 63 B7R0.2 CNC(C)CC(N)=O 4043924 [0,1,0,0,0,1|1,0,0]=3 64 B7R0.2 COC(=O)CC(=N)N 4042869 [0,1,0,0,0,1|1,0,1]=4 65 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,0,1|2,0,0]=4 66 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,2,0,0,0,0|2,0,0]=4 67 B7R0.5 CCNC(C)C(N)=O 4030069 [0,2,0,0,0,0|1,0,0]=3 68 B7R0.5 CCNC(C)C(N)=O 4089759 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.5 CCOC(C)C(=O)O 4020873 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.5 CCSC(C)C(=O)O 4028492 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.5 CN(C)C(=O)CCO 4035245 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.5 CNCC(C)C(=O)O 4043069 [0,2,0,0,0,0|0,0,0]=2 73 B7R0.10 CCC(C)C(=O)NN 4031480 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.10 CCC(N)C(=O)NC 4033837 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.10 CCC(N)C(=O)NO 4045655 [0,2,0,0,0,0|0,0,0]=2 77 B7R0.10 CNC(=O)C(C)CN 4035379 [0,2,0,0,0,0|1,0,0]=3 78 B7R0.10 CNC(=O)C(C)NC 4034384 [0,2,0,0,0,0|1,0,0]=3 79 B7R0.10 CNC(C)C(=O)OC 4044238 [0,2,0,0,0,0|0,0,0]=2 80 B7R0.10 COC(=O)C(=O)NN 4035403 [0,2,0,0,0,0|1,0,1]=4 81 B7R0.10 COC(=O)C(C)CN 4052567 [0,2,0,0,0,0|0,0,0]=2 82 B7R0.10 COC(C)C(=O)NN 4024075 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.10 COC(C)\C(N)=N/O 4045625 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.13 CC(C)(CN)C(=O)O 4020272 [0,2,0,0,0,0|0,0,0]=2 85 B7R0.13 COC(C)(C)C(=O)O 4021500 [0,2,0,0,0,0|1,0,0]=3 86 B7R0.14 CC(C)(C)C(=O)CN 4030730 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.14 CNC(=O)C(C)(C)N 4033252 [0,2,0,0,0,0|1,0,0]=3 88 B7R0.15 CCC(NC)C(N)=O 4029111 [0,2,0,0,0,0|1,0,0]=3 89 B7R0.15 CCC(OC)C(=O)O 4020880 [0,2,0,0,0,0|1,0,0]=3 90 B5R1.2 CC1CCN1 4040985 [1,0,0,1,0,0|1,0,1]=4 91 B5R1.2 OC1CCC1 4034696 [1,0,0,1,0,0|1,0,1]=4 92 B5R1.2 OC1CNC1 4002252 [1,0,0,1,0,0|1,0,1]=4 93 B5R1.5 CC1(N)CC1 4021534 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,1|2,0,0]=4 95 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,1|2,0,0]=4 96 B7R1.2 CC1COC(=O)N1 4045335 [0,0,0,1,0,1|1,0,0]=3 97 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,0,0,1,0,1|1,0,1]=4 98 B7R1.20 CC(=O)CC1CC1 4002838 [0,0,0,1,0,1|2,0,0]=4 99 B7R1.4 CC1=CNN=C1O 4043114 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,1,0,1,0,0|0,0,2]=4 102 B7R1.22 NNC(=O)C1CC1 3014982 [0,1,0,1,0,0|2,0,0]=4 103 B7R0.6 CC(C)NCC(=O)O 4028411 [0,0,0,0,0,2|1,0,0]=3 104 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,2|1,0,0]=3 105 B7R0.6 CC(C)SCC(=O)O 4028613 [0,0,0,0,0,2|1,0,0]=3