0 B7R0.3 CCC(=O)NCCN 4110359 [1,0,0,0,0,0|3,0,0]=4 1 B7R0.3 CCOCC(=O)NN 4024074 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.3 CCOCC(=O)NN 4089996 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.3 CNC(=O)CCCN 4030090 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.3 CNCCC(=O)NC 4030744 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.4 C=CCSCC(=O)O 4026839 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 CC(=O)NCCCO 4032317 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CCCCCC(=N)N 4012907 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCCCC(=N)N 4088605 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 CCCCNC(C)C 4024831 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.4 CCCOCC(=O)O 4020861 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 CCCSCC(=O)O 4028731 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.4 CCSCCC(=O)O 4028457 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.5 CCCCNC(=O)CNC 4025910 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.46 COC(=O)CCCN=C=S 4014136 [0,1,0,0,0,0|1,0,1]=3 16 B9R1.1 CC1=CCC(CO)CC1 4031964 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.5 CN1CCNCCC1=O 4036421 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.7 CNCC1CCC(=O)N1 4111539 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.11 CCC(=O)C1CCCC1 4026118 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.11 CNC(=O)C1CCNC1 4108211 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.11 NCC(=O)N1CCCC1 4019877 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.11 NNC(=O)C1CCCC1 3014983 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.89 CNC1CCCCCC1 4027537 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.132 CN1C(=O)CCC1CI 4110721 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.132 CN1C(=O)CCC1CN 4110762 [0,0,0,1,0,0|2,0,0]=3 32 B6R0.6 C=CCCCCN 4067494 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.6 C=CCNCCC 4031693 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.6 CCOCCNC 4030249 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.6 CNCCCOC 4021520 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.1 CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 CNC(=O)CCCl 4027989 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.1 CNC(=O)CCO 4035059 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.1 COC(=O)CCO 4041011 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.4 CCCCC(=N)N 4012905 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 CNCCC(=O)O 4036102 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.4 CNCCC(N)=O 4029061 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 COCCC(C)=O 4022132 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 NC(=O)CCCCl 4028442 [2,0,0,0,0,0|2,0,0]=4 46 B8R0.3 CCCC(N)C(=O)NC 4042706 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [1,1,0,0,0,0|0,0,0]=2 48 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [1,1,0,0,0,0|1,0,0]=3 49 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.8 CN(C)C(=O)CCCN 4034672 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.19 CNC(=O)CC(C)NC 4034214 [1,1,0,0,0,0|2,0,0]=4 52 B8R0.19 CNC(=O)CC(C)NC 4088864 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.5 CC(=O)CN(C)CCO 4028287 [1,1,0,0,0,0|2,0,0]=4 54 B8R0.5 CCCS(=O)CC(=O)O 4027354 [1,1,0,0,0,0|1,0,0]=3 55 B8R0.5 CN(CCO)CC(=O)O 4027421 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.5 COCC(=O)CC(C)=O 4036230 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.28 CC(C)NCCC(N)=O 4029400 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.28 NC(=O)CCCC(=O)O 4027348 [1,1,0,0,0,0|1,0,1]=4 59 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,2,0,0,0,0|0,0,0]=2 60 B10R0.115 COC(=O)CCC(C)(C)C=O 4110678 [0,2,0,0,0,0|1,0,1]=4 61 B8R1.2 BrCC1CCCOC1 4046211 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.2 CCC1CCCNC1 4018855 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.2 CCC1CCNCC1 4004580 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.2 CCC1CCNCC1 4110368 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.2 CCC1COCCN1 4021665 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.2 CCC1COCCN1 4087890 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.2 COC1CCCNC1 4002969 [1,0,0,1,0,0|1,0,1]=4 68 B8R1.2 COC1CCCNC1 4087774 [1,0,0,1,0,0|1,0,1]=4 69 B8R1.2 COC1CCCNC1 4088818 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.2 COC1CCNCC1 4002968 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.2 COC1CCNCC1 4088815 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.2 NCC1CCCOC1 4014028 [1,0,0,1,0,0|1,0,1]=4 73 B8R1.2 NCC1CCCOC1 4087864 [1,0,0,1,0,0|1,0,1]=4 74 B8R1.2 OCC1CCCOC1 4027028 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.8 BrCCC1CCOC1 4038663 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.8 CCCC1CCNC1 4018767 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.8 CCNC1CCCC1 4024871 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.8 CNCC1CCCC1 4043685 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.8 CNCC1CCOC1 4019736 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.8 COCC1CCNC1 4009705 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.8 NCCC1CCOC1 4037193 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.8 OCCC1CCOC1 4037633 [1,0,0,1,0,0|1,0,1]=4 83 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.22 CC1CCCCCN1 4043402 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.22 CC1CCCNCC1 4041336 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.1 CCC1COC(=O)N1 4044759 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.1 NCC1CNC(=O)C1 4002894 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.1 O=C1CC(CBr)CN1 4076303 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.1 O=C1CC(CO)CN1 4108826 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.3 O=C1CCC(O)CC1 4029093 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.38 NNC(=O)C1CCC1 4032586 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.4 CC1CCCC(=O)N1 4027532 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.4 CC1COCC(=O)N1 4028237 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.7 CC(=O)C1CCCC1 4031395 [1,0,0,1,0,0|0,0,0]=2 99 B8R1.7 CC(=O)C1CCCO1 4075977 [1,0,0,1,0,0|1,0,0]=3 100 B8R1.7 CC(N)C1CCCC1 4040740 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.7 O=C(O)C1CCCS1 4045536 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.34 O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|0,0,0]=2 103 B8R1.35 O=C(O)C#CC1CC1 5118948 [1,0,0,1,0,0|0,0,2]=4 104 B8R1.72 CC1(N)CCCCC1 4017356 [1,0,0,1,0,0|1,0,1]=4 105 B10R1.54 CC(C)CC1CNC(=O)C1 4026757 [0,1,0,1,0,0|1,0,0]=3 106 B10R1.197 CCC1CCNC(=O)CC1 4042732 [0,1,0,1,0,0|1,0,0]=3 107 B10R1.11 CCNC(=O)C1CCNC1 4030896 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.11 NCCC(=O)N1CCCC1 4031732 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.11 NCCC(=O)N1CCCC1 4091022 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.138 CCOC(=O)\C=C\C1CC1 4069949 [0,1,0,1,0,0|0,0,2]=4 111 B10R1.15 CCC(=O)C1CCCNC1 4005880 [0,1,0,1,0,0|1,0,0]=3 112 B10R1.15 CNC(=O)C1CCCCN1 4041354 [0,1,0,1,0,0|1,0,0]=3 113 B10R1.15 CNC(=O)C1CCCNC1 4031837 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.15 COC(=O)C1CNCCO1 4036481 [0,1,0,1,0,0|1,0,0]=3 115 B10R1.15 NNC(=O)C1CCCCC1 3017809 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.15 NNC(=O)C1CCCCC1 4036715 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.15 NNC(=O)C1CCOCC1 4027261 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.15 O=C(CBr)N1CCCCC1 4023674 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.15 O=C(CO)N1CCCCC1 4023499 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.94 CNCC1CCC(=O)N1C 4110708 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.94 CNCC1CCC(=O)N1C 4111540 [0,1,0,1,0,0|1,0,0]=3 122 B10R1.176 CN1CC(CO)CCC1=O 4060792 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.411 COC(=O)[C@]1(C)CCCN1 4042288 [0,1,0,1,0,0|1,0,0]=3 124 B10R1.27 COC(=O)CC1CCNC1 4042082 [0,1,0,1,0,0|0,0,0]=2 125 B10R1.27 NNC(=O)CN1CCCC1 4033442 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.27 NNC(=O)CN1CCCC1 4088111 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.131 CNCC1CC(=O)N(C)C1 4003816 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.2 CCN1CCNC(=O)C1C 4044255 [0,1,0,1,0,0|2,0,0]=4 129 B10R1.23 CC(Cl)C(=O)N1CCCC1 4027943 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 4045593 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 4089266 [0,1,0,1,0,0|2,0,0]=4 132 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 4091297 [0,0,0,2,0,0|2,0,0]=4 133 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 4091201 [0,0,0,2,0,0|2,0,0]=4