0 B4R0.1 CC(=O)CN 4035253 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 CC(C)NN 4032832 [0,0,0,0,0,0|1,0,0]=1 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|0,0,2]=3 6 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [0,1,0,0,0,0|1,0,1]=3 7 B5R0.1 CC(N)CCO 4027026 [0,1,0,0,0,0|2,0,0]=3 8 B5R0.1 CC(O)CNN 4028962 [0,1,0,0,0,0|1,0,0]=2 9 B5R0.1 CNCC(C)O 4035012 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.1 NCCC(N)=O 4034723 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.3 CC(CN)CO 4036254 [0,1,0,0,0,0|0,0,0]=1 12 B5R0.3 CC[C@@H](O)CN 4036900 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.3 CNC(=O)CBr 4023689 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.3 CNC(=O)CCl 4031514 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.3 CNC(=O)CN 4030580 [0,1,0,0,0,0|1,0,1]=3 16 B5R0.3 CNC(=O)CO 4032781 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.3 CNC(C)CO 4028640 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.3 COC(C)C#N 4045776 [0,1,0,0,0,0|0,0,2]=3 19 B5R0.3 COC(C)CN 4031070 [0,1,0,0,0,0|0,0,0]=1 20 B5R0.3 COC(C)CO 4045600 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.5 CC(C)C(=N)N 4034735 [0,1,0,0,0,0|0,0,1]=2 22 B5R0.5 CC(C)C(=N)N 4088764 [0,1,0,0,0,0|0,0,1]=2 23 B5R0.5 CC(O)C(=N)N 4048497 [0,1,0,0,0,0|1,0,1]=3 24 B5R1.2 CC1CCN1 4040985 [0,0,0,1,0,0|2,0,0]=3 25 B5R1.2 FC1CNC1 4108317 [0,0,0,1,0,0|1,0,0]=2 26 B5R1.2 OC1CCC1 4034696 [0,0,0,1,0,0|2,0,0]=3 27 B5R1.2 OC1CNC1 4002252 [0,0,0,1,0,0|1,0,0]=2 28 B5R1.2 OC1CSC1 4042896 [0,0,0,1,0,0|2,0,0]=3 29 B5R1.5 CC1(N)CC1 4021534 [0,0,0,1,0,0|2,0,0]=3 30 B4R0.2 C=C=CCN 4085485 [1,1,0,0,0,0|0,0,2]=4 31 B4R0.2 CCCNN 4085300 [1,1,0,0,0,0|0,0,0]=2 32 B6R0.1 C=CCC(O)CN 4080175 [0,2,0,0,0,0|1,0,0]=3 33 B6R0.1 CCC(C)CCN 4015078 [0,2,0,0,0,0|0,0,0]=2 34 B6R0.1 CCC(O)CNN 4030953 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.1 CCCC(N)CC 4028240 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.1 CCCC(N)CC 4088911 [0,2,0,0,0,0|2,0,0]=4 37 B6R0.1 CCNC(C)CC 4024881 [0,2,0,0,0,0|1,0,0]=3 38 B6R0.1 CCNC(C)CC 4089770 [0,2,0,0,0,0|1,0,0]=3 39 B6R0.1 CCNC(C)CO 4027506 [0,2,0,0,0,0|1,0,0]=3 40 B6R0.1 CCOC(C)CN 4029821 [0,2,0,0,0,0|0,0,0]=2 41 B6R0.1 CNC(C)CCO 4027121 [0,2,0,0,0,0|1,0,0]=3 42 B6R0.1 CNCC(=O)NC 4033340 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.1 CNCC(C)OC 4031677 [0,2,0,0,0,0|0,0,0]=2 44 B6R0.1 COC(C)CCN 4043534 [0,2,0,0,0,0|0,0,0]=2 45 B6R0.1 COCC(N)CO 4030437 [0,2,0,0,0,0|2,0,0]=4 46 B6R0.1 COCC(O)CN 4001723 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.2 CC(C)CC(=N)N 4012906 [0,2,0,0,0,0|0,0,0]=2 48 B6R0.3 CC(C)C(=O)NN 3015435 [0,2,0,0,0,0|0,0,1]=3 49 B6R0.3 CC(C)C(O)CN 4038941 [0,2,0,0,0,0|0,0,0]=2 50 B6R0.3 CC(C)\C(N)=N\O 4031815 [0,2,0,0,0,0|0,0,1]=3 51 B6R0.3 CC(CN)N(C)C 4026858 [0,2,0,0,0,0|0,0,0]=2 52 B6R0.3 CC(O)C(=N)NO 4041720 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.3 CN(C)C(=O)CN 4029380 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.3 CN(C)C(=O)CO 4033769 [0,2,0,0,0,0|2,0,0]=4 55 B6R0.3 CNC(=O)C(C)Cl 4026929 [0,2,0,0,0,0|1,0,1]=4 56 B6R0.3 CNC(=O)C(C)N 4033710 [0,2,0,0,0,0|1,0,1]=4 57 B6R0.3 CNC(C)C(C)C 4027192 [0,2,0,0,0,0|0,0,0]=2 58 B6R0.3 CNC(C)C(N)=O 4031071 [0,2,0,0,0,0|0,0,1]=3 59 B6R0.3 COC(C)C(=O)O 4020866 [0,2,0,0,0,0|1,0,1]=4 60 B6R0.3 CSC(C)C(=O)O 4034068 [0,2,0,0,0,0|1,0,1]=4 61 B6R0.4 C=CCNC(C)C 4026873 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.4 C=CCNC(C)C 4090944 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.4 CC(C)SCCN 4012669 [0,2,0,0,0,0|0,0,0]=2 64 B6R0.4 CC(C)SCCN 4089980 [0,2,0,0,0,0|0,0,0]=2 65 B6R0.5 CC(C)(C)CNN 4043230 [0,2,0,0,0,0|0,0,0]=2 66 B6R0.5 CC(C)(O)CCCl 4047844 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.5 CC(C)(O)CCN 4044047 [0,2,0,0,0,0|0,0,0]=2 68 B6R0.5 CC(C)(O)CNN 4085384 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.5 CNCC(C)(C)C 4017477 [0,2,0,0,0,0|0,0,0]=2 70 B6R0.5 CNCC(C)(C)O 4085463 [0,2,0,0,0,0|0,0,0]=2 71 B6R0.5 CNCC(F)(F)F 4027379 [0,2,0,0,0,0|2,0,0]=4 72 B6R0.5 COCC(C)(C)N 4017683 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.5 CS(=O)(=O)CCN 4030796 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.8 C=CC(C)(C)CO 4071188 [0,2,0,0,0,0|1,0,0]=3 75 B6R0.8 CCC(C)(N)CC 4035688 [0,2,0,0,0,0|1,0,0]=3 76 B6R0.8 COC(C)(C)CN 4100459 [0,2,0,0,0,0|0,0,0]=2 77 B6R0.9 CCC(CC)CN 4034714 [0,2,0,0,0,0|0,0,0]=2 78 B6R0.9 CCC(CC)NC 4027066 [0,2,0,0,0,0|1,0,0]=3 79 B6R0.9 CCC(CC)NC 4090629 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.9 CCC(CN)OC 4031411 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.7 CC(C)(C)C(=N)N 4034719 [0,2,0,0,0,0|0,0,1]=3 82 B6R0.7 CC(C)(N)C(N)=O 4029572 [0,2,0,0,0,0|0,0,1]=3 83 B6R0.7 CC(C)C(C)(C)N 4045550 [0,2,0,0,0,0|0,0,0]=2 84 B6R0.7 CC(N)C(C)(C)O 4035420 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.7 CC(N)C(F)(F)F 4030935 [0,2,0,0,0,0|2,0,0]=4 86 B6R1.2 CC1CNOC1 4040895 [0,1,0,1,0,0|0,0,0]=2 87 B6R1.2 NC1CCOC1 4003522 [0,1,0,1,0,0|2,0,0]=4 88 B6R1.2 OC1CNOC1 4044152 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.3 CCNC1CC1 4110570 [0,1,0,1,0,0|1,0,0]=3 90 B6R1.3 CNCC1CC1 4033531 [0,1,0,1,0,0|0,0,0]=2 91 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [0,1,0,1,0,0|1,0,0]=3 93 B6R1.10 CC1(N)CCC1 4042856 [0,1,0,1,0,0|1,0,0]=3 94 B6R1.11 CC(N)C1CC1 4004109 [0,1,0,1,0,0|0,0,0]=2 95 B6R1.11 CC(N)C1CC1 4088031 [0,1,0,1,0,0|0,0,0]=2 96 B6R1.11 N=C(N)C1CC1 4041549 [0,1,0,1,0,0|0,0,1]=3 97 B6R1.11 N=C(N)C1CC1 4088692 [0,1,0,1,0,0|0,0,1]=3 98 B6R1.6 NCC1CCC1 4003518 [0,1,0,1,0,0|0,0,0]=2 99 B6R1.7 CCC1(N)CC1 4021535 [0,1,0,1,0,0|1,0,0]=3