0 B7R0.6 CC(=O)CCN(C)C 4090669 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)CCN(C)C 5108147 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 CC(C)CCC(=N)N 4012910 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.6 CC(C)CCC(=N)N 4091144 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.6 CC(C)CNC(C)C 4028720 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)CNC(C)C 4090247 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(C)NCC(=O)O 4028411 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 CC(C)SCC(=O)O 4028613 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 CN(C)CCC(=N)N 4033502 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 C=CCNC(C)C 4026873 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 C=CCNC(C)C 4090944 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CCCCC(=N)N 4012905 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.4 CNCCC(=O)O 4036102 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CNCCC(N)=O 4029061 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 COCCC(C)=O 4022132 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 NC(=O)CCCCl 4028442 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,0,0,0,0|1,0,0]=2 18 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [0,1,0,0,0,0|3,0,0]=4 27 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.29 CC(C)(O)C#CC(=O)O 5858379 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.29 CC(C)CNC(C)(C)C 4029184 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.3 O=C1CCC(O)CC1 4029093 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.3 O=C1NCC(O)CN1 4044966 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.35 CC(C)CNC1CC1 4030537 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.35 CC(C)NCC1CC1 4024833 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.35 O=C(O)C#CC1CC1 5118948 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,0,0,1,0,0|1,0,0]=2 42 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,0|0,0,0]=1 43 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.51 CC1CCC(C)(C)N1 4108245 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.51 CC1CNC(C)(C)C1 4044904 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,0,0,1,0,0|2,0,0]=3 47 B6R0.2 CC(C)CC(=N)N 4012906 [0,0,0,0,1,0|2,0,0]=3 48 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,0,0,0,0,1|2,0,0]=3 49 B5R0.1 CNCC(C)O 4035012 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 NC(=O)CCO 4070037 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.1 NCCC(N)=O 4034723 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.2 CCC(C)CC(C)=O 4031282 [1,1,0,0,0,0|1,0,0]=3 53 B7R0.2 CCN(C)CC(C)=O 4028374 [1,1,0,0,0,0|2,0,0]=4 54 B7R0.2 CCN(C)CC(C)=O 4088950 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.2 CNC(C)CC(C)C 4027376 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 CNC(C)CC(C)C 4089905 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.3 CCC(=O)NCCN 4110359 [1,1,0,0,0,0|2,0,0]=4 58 B7R0.3 CCCOC(C)CN 4031060 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.3 CCOCC(O)CN 4001724 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.3 CNC(=O)CCCN 4030090 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.3 CNCCC(=O)NC 4030744 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.4 C=CCNCC(C)C 4029119 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.4 CC(=O)NCCCO 4032317 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.4 CC(C)CNCCO 4029069 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.4 CC(C)OCCCO 4034289 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.4 CCCCNC(C)C 4024831 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.4 CCCOCC(=O)O 4020861 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.4 CCCSCC(=O)O 4028731 [1,1,0,0,0,0|1,1,0]=4 69 B7R0.4 CCSCCC(=O)O 4028457 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.5 CC(=O)N(C)CCO 4036108 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.8 CCNCC(C)(C)C 4017478 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.8 CCOCC(C)(C)N 4026868 [1,1,0,0,0,0|0,0,1]=3 73 B7R0.8 CNCCC(C)(C)O 4021555 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.9 CC(=O)CC(F)(F)F 4034729 [0,1,0,0,1,0|2,0,0]=4 75 B7R0.9 CC(C)CC(C)(C)N 4043228 [0,1,0,0,1,0|1,0,1]=4 76 B7R0.9 CN(C)CC(C)(C)N 4035812 [0,1,0,0,1,0|2,0,0]=4 77 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,1,0|1,0,1]=4 78 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,1,0|2,0,0]=4 79 B7R0.16 CC(C)C(N)C(C)C 4035462 [0,1,0,0,1,0|1,0,1]=4 80 B9R0.7 CC(C)CNC(=O)C(=O)O 4030063 [0,1,0,0,0,1|2,0,0]=4 81 B9R0.7 CC(C)N(C)CCC(=O)O 4028345 [0,1,0,0,0,1|2,0,0]=4 82 B9R0.7 CC(C)N(C)CCC(=O)O 4091071 [0,1,0,0,0,1|2,0,0]=4 83 B9R0.21 CNC(=O)CCC(C)(C)N 4041154 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.64 CC(C)(C#N)CCC(=O)O 4110676 [0,2,0,0,0,0|2,0,0]=4 85 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,0]=3 86 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.3 BrC1CCCOC1 4032123 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.3 C[C@@H]1COCCN1 4037047 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.3 NC1CCCOC1 4018204 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.3 O=C1CNCCN1 4102110 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.7 CCNCC1CC1 4034470 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.7 CCNCC1CC1 4110755 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.14 CC1(C)CCNC1 4018853 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.20 CC(=O)CC1CC1 4002838 [1,0,0,1,0,0|1,0,0]=3 98 B9R1.35 CC(C)N1CCC(=O)C1 4085392 [0,0,0,1,0,1|1,0,0]=3 99 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,0,0,1,0,1|1,0,0]=3 100 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,0,0,1,0,1|2,0,0]=4 101 B9R1.85 O=C(O)CSCC1CC1 4028705 [0,0,0,1,0,1|1,1,0]=4 102 B9R1.1 CC1=CCC(CO)CC1 4031964 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.10 CC1(C)CCC(=O)NC1 4036246 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.69 CC1CNC(=O)N(C)C1 4041052 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4046250 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4047525 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.84 O=C(O)CCC1CCC1 4030352 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.185 CC1(C)CC1C(=O)NN 4033496 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.185 CCC(=O)C1CC1(C)C 4032891 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.36 CC1CC(C)(C)NC1=O 4044997 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.38 CC1CC(=O)NC1(C)C 4044938 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,1,0,1,0,0|1,0,1]=4 113 B9R2.143 O=C(O)C1CC12CC2 4012322 [0,0,0,2,0,0|2,0,0]=4 114 B5R0.5 CC(C)C(=N)N 4034735 [0,0,0,0,2,0|2,0,0]=4 115 B5R0.5 CC(C)C(=N)N 4088764 [0,0,0,0,2,0|2,0,0]=4