0 B4R0.1 CC(=O)CN 4035253 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CC(C)NN 4032832 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CCC(=N)N 4012617 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CCC(=N)N 4090083 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 N=C(N)CF 4028912 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C=C(C)CNN 4045392 [0,1,0,0,0,0|1,0,2]=4 6 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [0,1,0,0,0,0|2,0,0]=3 7 B5R0.1 CC(N)CCO 4027026 [0,1,0,0,0,0|1,0,0]=2 8 B5R0.1 CC(O)CNN 4028962 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.1 CNCC(C)O 4035012 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.1 COCC(=N)N 4018503 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 NC(=O)CCO 4070037 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.3 CC(CN)CO 4036254 [0,1,0,0,0,0|0,0,0]=1 13 B5R0.3 CC[C@@H](O)CN 4036900 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.3 CC\C(N)=N\O 4030035 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.3 CC\C(N)=N\O 4089717 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.3 CNC(=O)CBr 4023689 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.3 CNC(=O)CCl 4031514 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.3 CNC(=O)CN 4030580 [0,1,0,0,0,0|2,0,1]=4 19 B5R0.3 CNC(=O)CO 4032781 [0,1,0,0,0,0|1,0,1]=3 20 B5R0.3 CNC(C)CO 4028640 [0,1,0,0,0,0|0,0,0]=1 21 B5R0.3 COC(C)C#N 4045776 [0,1,0,0,0,0|1,0,1]=3 22 B5R0.3 COC(C)CN 4031070 [0,1,0,0,0,0|1,0,0]=2 23 B5R0.3 COC(C)CO 4045600 [0,1,0,0,0,0|0,0,0]=1 24 B5R0.3 N\C(CO)=N/O 4045643 [0,1,0,0,0,0|2,0,1]=4 25 B5R0.5 CC(C)C(=N)N 4034735 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.5 CC(C)C(=N)N 4088764 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.5 CC(O)C(=N)N 4048497 [0,1,0,0,0,0|2,0,1]=4 28 B5R1.2 CC1CCN1 4040985 [0,0,0,1,0,0|2,0,0]=3 29 B5R1.2 FC1CNC1 4108317 [0,0,0,1,0,0|2,0,0]=3 30 B5R1.2 OC1CCC1 4034696 [0,0,0,1,0,0|2,0,0]=3 31 B5R1.2 OC1CNC1 4002252 [0,0,0,1,0,0|2,0,0]=3 32 B5R1.2 OC1CSC1 4042896 [0,0,0,1,0,0|1,1,0]=3 33 B5R1.5 CC1(N)CC1 4021534 [0,0,0,1,0,0|2,0,0]=3 34 B4R0.2 CCCNN 4085300 [1,1,0,0,0,0|1,0,0]=3 35 B6R0.1 C=CCC(O)CN 4080175 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.1 CCC(C)CCN 4015078 [0,2,0,0,0,0|1,0,0]=3 37 B6R0.1 CCC(O)CNN 4030953 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.1 CCCC(N)CC 4028240 [0,2,0,0,0,0|2,0,0]=4 39 B6R0.1 CCCC(N)CC 4088911 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.1 CCNC(C)CC 4024881 [0,2,0,0,0,0|1,0,0]=3 41 B6R0.1 CCNC(C)CC 4089770 [0,2,0,0,0,0|1,0,0]=3 42 B6R0.1 CCNC(C)CO 4027506 [0,2,0,0,0,0|0,0,0]=2 43 B6R0.1 CCOC(C)CN 4029821 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.1 CNC(=O)CCO 4035059 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.1 CNC(C)CCO 4027121 [0,2,0,0,0,0|0,0,0]=2 46 B6R0.1 CNCC(C)OC 4031677 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.1 COC(=O)CCO 4041011 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.1 COC(C)CCN 4043534 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.1 COCC(N)CO 4030437 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.1 COCC(O)CN 4001723 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.2 CC(C)CC(=N)N 4012906 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.3 CC(C)C(=O)NN 3015435 [0,2,0,0,0,0|0,0,2]=4 53 B6R0.3 CC(C)C(O)CN 4038941 [0,2,0,0,0,0|0,0,0]=2 54 B6R0.3 CC(C)\C(N)=N\O 4031815 [0,2,0,0,0,0|0,0,1]=3 55 B6R0.3 CC(CN)N(C)C 4026858 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.3 CC(O)C(=N)NO 4041720 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.3 CN(C)C(=O)CN 4029380 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.3 CN(C)C(=O)CO 4033769 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.3 CNC(C)C(C)C 4027192 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.3 CNC(C)C(N)=O 4031071 [0,2,0,0,0,0|0,0,2]=4 61 B6R0.3 COC(C)C(=O)O 4020866 [0,2,0,0,0,0|0,0,1]=3 62 B6R0.3 CSC(C)C(=O)O 4034068 [0,2,0,0,0,0|0,0,1]=3 63 B6R0.4 C=CCNC(C)C 4026873 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.4 C=CCNC(C)C 4090944 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.4 CC(C)SCCN 4012669 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.4 CC(C)SCCN 4089980 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.4 COCCC(C)=O 4022132 [0,2,0,0,0,0|1,0,1]=4 68 B6R0.5 CC(C)(C)CNN 4043230 [0,2,0,0,0,0|1,0,0]=3 69 B6R0.5 CC(C)(O)CCCl 4047844 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.5 CC(C)(O)CCN 4044047 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.5 CC(C)(O)CNN 4085384 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.5 CNCC(C)(C)C 4017477 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.5 CNCC(C)(C)O 4085463 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.5 COCC(C)(C)N 4017683 [0,2,0,0,0,0|0,0,0]=2 75 B6R0.8 C=CC(C)(C)CO 4071188 [0,2,0,0,0,0|0,0,0]=2 76 B6R0.8 CCC(C)(N)CC 4035688 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.8 COC(C)(C)CN 4100459 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.9 CCC(CC)CN 4034714 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.9 CCC(CC)NC 4027066 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.9 CCC(CC)NC 4090629 [0,2,0,0,0,0|1,0,0]=3 81 B6R0.9 CCC(CN)OC 4031411 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.7 CC(C)(C)C(=N)N 4034719 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.7 CC(C)(N)C(N)=O 4029572 [0,2,0,0,0,0|0,0,2]=4 84 B6R0.7 CC(C)C(C)(C)N 4045550 [0,2,0,0,0,0|1,0,0]=3 85 B6R0.7 CC(N)C(C)(C)O 4035420 [0,2,0,0,0,0|1,0,0]=3 86 B6R0.7 CC(N)C(F)(F)F 4030935 [0,2,0,0,0,0|2,0,0]=4 87 B6R1.2 CC1CNOC1 4040895 [0,1,0,1,0,0|0,0,0]=2 88 B6R1.2 NC1CCOC1 4003522 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.2 OC1CNOC1 4044152 [0,1,0,1,0,0|1,0,0]=3 90 B6R1.3 CCNC1CC1 4110570 [0,1,0,1,0,0|1,0,0]=3 91 B6R1.3 CNCC1CC1 4033531 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [0,1,0,1,0,0|1,0,0]=3 93 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [0,1,0,1,0,0|1,0,0]=3 94 B6R1.10 CC1(N)CCC1 4042856 [0,1,0,1,0,0|1,0,0]=3 95 B6R1.11 CC(N)C1CC1 4004109 [0,1,0,1,0,0|1,0,0]=3 96 B6R1.11 CC(N)C1CC1 4088031 [0,1,0,1,0,0|1,0,0]=3 97 B6R1.11 N=C(N)C1CC1 4041549 [0,1,0,1,0,0|1,0,1]=4 98 B6R1.11 N=C(N)C1CC1 4088692 [0,1,0,1,0,0|1,0,1]=4 99 B6R1.6 NCC1CCC1 4003518 [0,1,0,1,0,0|1,0,0]=3 100 B6R1.7 CCC1(N)CC1 4021535 [0,1,0,1,0,0|1,0,0]=3