0 B7R0.3 CCC(=O)NCCN 4110359 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.3 CCN(C)CCCCl 4032711 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.3 CCN(C)CCCCl 4090852 [1,0,0,0,0,0|3,0,0]=4 3 B7R0.3 CCN(C)CCCO 4027001 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.3 CCOCC(=O)NN 4024074 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.3 CCOCC(=O)NN 4089996 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.3 CNC(=O)CCCN 4030090 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.3 CNCCC(=O)NC 4030744 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CC(=O)NCCCO 4032317 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 CCCCCC(=N)N 4012907 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CCCCCC(=N)N 4088605 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CCCCNC(C)C 4024831 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.4 CCCOCC(=O)O 4020861 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CCCSCC(=O)O 4028731 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CCSCCC(=O)O 4028457 [1,0,0,0,0,0|2,0,0]=3 15 B9R0.5 CCCCNC(=O)CNC 4025910 [0,1,0,0,0,0|1,0,0]=2 16 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.46 COC(=O)CCCN=C=S 4014136 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.1 CC1=CCC(CO)CC1 4031964 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.1 CN1CCC(CBr)CC1 4039885 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.1 CN1CCC(CCl)CC1 4044401 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.1 CN1CCC(CN)CC1 4103003 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.1 CN1CCC(CO)CC1 4002191 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4048210 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.2 CCN1CCCC(N)C1 4028708 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.5 CN1CCNCCC1=O 4036421 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4049315 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.7 CCCN1CCC(N)C1 4044403 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.7 CNCC1CCC(=O)N1 4111539 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.7 CNCC1CCN(C)C1 4003801 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.7 N#CC[C@H]1CCC(=O)N1 4067809 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.11 CCC(=O)C1CCCC1 4026118 [0,0,0,1,0,0|0,0,0]=1 35 B9R1.11 CNC(=O)C1CCNC1 4108211 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.11 NCC(=O)N1CCCC1 4019877 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.11 NNC(=O)C1CCCC1 3014983 [0,0,0,1,0,0|2,0,0]=3 40 B9R1.21 CCN1CCC(CBr)C1 4044062 [0,0,0,1,0,0|3,0,0]=4 41 B9R1.21 CCN1CCC(CCl)C1 4028189 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.21 CCN1CCC(CO)C1 4026419 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,0,0,1,0,0|1,0,0]=2 44 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,0,0,1,0,0|2,0,0]=3 45 B9R1.49 CN1CCCC(N)CC1 4039072 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.89 CCC1CCCNCC1 4042576 [0,0,0,1,0,0|2,0,1]=4 47 B9R1.89 CCN1CCCNCC1 4013095 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.89 CCN1CCCNCC1 4089876 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.89 CNC1CCCCCC1 4027537 [0,0,0,1,0,0|2,0,1]=4 50 B9R1.89 OCC1CCCCCN1 5510936 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.118 CC1(CN)CCCCC1 4043142 [0,0,0,1,0,0|2,0,1]=4 52 B9R1.118 CCC1(C)CCCNC1 4043267 [0,0,0,1,0,0|2,0,1]=4 53 B9R1.118 CCC1(C)CCNCC1 4021540 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.118 CCC1(O)CCCNC1 4016061 [0,0,0,1,0,0|1,0,2]=4 55 B9R1.118 NC1(CO)CCCCC1 4032526 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.132 CN1C(=O)CCC1CI 4110721 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.132 CN1C(=O)CCC1CN 4110762 [0,0,0,1,0,0|2,0,0]=3 58 B6R0.6 C=CCCCCN 4067494 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 C=CCNCCC 4031693 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 CCCSCCN 4033597 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.6 CCCSCCN 4089004 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.6 CCOCCNC 4030249 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.6 CNCCCOC 4021520 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.6 FCCCCCBr 4041608 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.1 CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.1 CCCC(N)CC 4028240 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.1 CCCC(N)CC 4088911 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.1 CCNC(=O)CBr 4023688 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.1 CNC(=O)CCCl 4027989 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.1 CNC(=O)CCO 4035059 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.1 CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.1 COC(=O)CCO 4041011 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 CCCCC(=N)N 4012905 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 CNCCC(=O)O 4036102 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 CNCCC(N)=O 4029061 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 COCCC(C)=O 4022132 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.4 NC(=O)CCCCl 4028442 [2,0,0,0,0,0|2,0,0]=4 78 B8R0.3 CCCC(N)C(=O)NC 4042706 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.3 CCOC(=O)C(=O)CC 4013605 [1,1,0,0,0,0|1,0,1]=4 81 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.8 CC(C)C(=O)NCCN 4027734 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.8 CN(C)C(=O)CCCN 4034672 [1,1,0,0,0,0|2,0,0]=4 85 B8R0.9 CC(C)CNC(=O)CCl 4025710 [1,1,0,0,0,0|2,0,0]=4 86 B8R0.19 CCC(C)NC(=O)CCl 4028165 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.19 CNC(=O)CC(C)NC 4034214 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.19 CNC(=O)CC(C)NC 4088864 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.25 CCS(=O)(=O)CCNC 4039868 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.5 CC(=O)CN(C)CCO 4028287 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.5 CCCS(=O)CC(=O)O 4027354 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.5 COCC(=O)CC(C)=O 4036230 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.28 CC(C)NCCC(N)=O 4029400 [1,1,0,0,0,0|2,0,0]=4 94 B10R0.2 CCCC(N)CC(=O)OCC 4012463 [0,2,0,0,0,0|0,0,0]=2 95 B8R1.2 CCC1CCCNC1 4018855 [1,0,0,1,0,0|1,0,1]=4 96 B8R1.2 CCC1CCNCC1 4004580 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.2 CCC1CCNCC1 4110368 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.2 CNC1CCOCC1 4003545 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.2 CNC1CCSCC1 4036158 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.2 COC1CCNCC1 4002968 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.2 COC1CCNCC1 4088815 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.2 NCC1=CCCCC1 4019756 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.2 NCC1CCOCC1 4004281 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.2 NCC1CCOCC1 4089498 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.2 OCC1CCOCC1 4027097 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.8 BrCCC1CCOC1 4038663 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.8 CCCC1C=CCN1 4029126 [1,0,0,1,0,0|1,0,1]=4 108 B8R1.8 CCCC1CCNC1 4018767 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.8 CCNC1CCCC1 4024871 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.8 CCOC1CCNC1 4041020 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.8 CNCC1CCCC1 4043685 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.8 CNCC1CCOC1 4019736 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.8 COCC1CCNC1 4009705 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.8 NCCC1CCCC1 4015075 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.8 NCCC1CCCC1 4087871 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.8 NCCC1CCOC1 4037193 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.8 OCCC1CCOC1 4037633 [1,0,0,1,0,0|2,0,0]=4 118 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.22 CC1CCCCCN1 4043402 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.22 CC1CCCNCC1 4041336 [1,0,0,1,0,0|1,0,0]=3 121 B8R1.22 OC1CCCNCC1 4030734 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.1 CCC1COC(=O)N1 4044759 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.1 NCC1CCC(=O)N1 4110532 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.1 NCC1CNC(=O)C1 4002894 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.1 O=C1CC(CBr)CN1 4076303 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.1 O=C1CC(CO)CN1 4108826 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.1 O=C1CCC(CBr)O1 4085450 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.1 O=C1CCC(CI)N1 4110716 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.3 O=C1CCC(O)CC1 4029093 [1,0,0,1,0,0|1,0,0]=3 132 B8R1.38 NNC(=O)C1CCC1 4032586 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.40 NCC(=O)NC1CC1 4031002 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.40 O=C(CCl)NC1CC1 4027313 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.52 CCC1(N)CCCC1 4017676 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.4 CC1CCCC(=O)N1 4027532 [1,0,0,1,0,0|1,0,0]=3 137 B8R1.4 CC1COCC(=O)N1 4028237 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.7 CC(=O)C1CCCC1 4031395 [1,0,0,1,0,0|0,0,0]=2 141 B8R1.7 CC(=O)C1CCCO1 4075977 [1,0,0,1,0,0|1,0,0]=3 142 B8R1.7 CC(N)C1CCCC1 4040740 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.7 O=C(O)C1CCCS1 4045536 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.34 O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.72 CC1(N)CCCCC1 4017356 [1,0,0,1,0,0|1,0,1]=4 146 B10R1.13 CC(N)C1CCN(C)CC1 4019769 [0,1,0,1,0,0|2,0,0]=4 147 B10R1.13 CN(C)N1CCC(=O)CC1 4044665 [0,1,0,1,0,0|2,0,0]=4 148 B10R1.54 CC(C)CC1CNC(=O)C1 4026757 [0,1,0,1,0,0|1,0,0]=3 149 B10R1.79 NC1CCCC(O)CCC1 4108221 [0,1,0,1,0,0|0,0,2]=4 150 B10R1.197 CCC1CCNC(=O)CC1 4042732 [0,1,0,1,0,0|0,0,0]=2 151 B10R1.10 CC1CCCN(CCN)C1 4027656 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.11 CCNC(=O)C1CCNC1 4030896 [0,1,0,1,0,0|1,0,0]=3 153 B10R1.11 NCCC(=O)N1CCCC1 4031732 [0,1,0,1,0,0|1,0,0]=3 154 B10R1.11 NCCC(=O)N1CCCC1 4091022 [0,1,0,1,0,0|1,0,0]=3 155 B10R1.85 CCNC1CCCCCC1 4024901 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.85 NCCC1CCCCCC1 4015076 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.96 CCN1CCC(CNC)C1 4002905 [0,1,0,1,0,0|2,0,0]=4 158 B10R1.138 CCOC(=O)\C=C\C1CC1 4069949 [0,1,0,1,0,0|0,0,2]=4 159 B10R1.7 N[C@H]1CCCCCC[C@@H]1O 4110432 [0,1,0,1,0,0|0,0,2]=4 160 B10R1.15 CCC(=O)C1CCCNC1 4005880 [0,1,0,1,0,0|0,0,0]=2 161 B10R1.15 CCC(O)C1CCNCC1 4005900 [0,1,0,1,0,0|0,0,2]=4 162 B10R1.15 CNC(=O)C1CCCCN1 4041354 [0,1,0,1,0,0|1,0,0]=3 163 B10R1.15 CNC(=O)C1CCCNC1 4031837 [0,1,0,1,0,0|1,0,0]=3 164 B10R1.15 COC(=O)C1CNCCO1 4036481 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.15 NNC(=O)C1CCCCC1 3017809 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.15 NNC(=O)C1CCCCC1 4036715 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.15 NNC(=O)C1CCOCC1 4027261 [0,1,0,1,0,0|2,0,0]=4 168 B10R1.15 O=C(CBr)N1CCCCC1 4023674 [0,1,0,1,0,0|1,0,0]=3 169 B10R1.15 O=C(CBr)N1CCOCC1 4023671 [0,1,0,1,0,0|2,0,0]=4 170 B10R1.15 O=C(CO)N1CCCCC1 4023499 [0,1,0,1,0,0|1,0,0]=3 171 B10R1.94 CNCC1CCC(=O)N1C 4110708 [0,1,0,1,0,0|1,0,0]=3 172 B10R1.94 CNCC1CCC(=O)N1C 4111540 [0,1,0,1,0,0|1,0,0]=3 173 B10R1.176 CN1CC(CO)CCC1=O 4060792 [0,1,0,1,0,0|2,0,0]=4 174 B10R1.411 COC(=O)[C@]1(C)CCCN1 4042288 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.26 CNC1CCS(=O)(=O)CC1 4035254 [0,1,0,1,0,0|2,0,0]=4 176 B10R1.26 NCC1CCS(=O)(=O)CC1 4018202 [0,1,0,1,0,0|2,0,0]=4 177 B10R1.95 CCNC1CCS(=O)(=O)C1 4011817 [0,1,0,1,0,0|2,0,0]=4 178 B10R1.95 CCNC1CCS(=O)(=O)C1 4090366 [0,1,0,1,0,0|2,0,0]=4 179 B10R1.95 O=S1(=O)CCC(CCBr)C1 4043970 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.95 O=S1(=O)CCC(CCO)C1 4045010 [0,1,0,1,0,0|2,0,0]=4 181 B10R1.27 CCC(C)NC1CCCC1 5938899 [0,1,0,1,0,0|1,0,1]=4 182 B10R1.27 COC(=O)CC1CCNC1 4042082 [0,1,0,1,0,0|1,0,0]=3 183 B10R1.27 NNC(=O)CN1CCCC1 4033442 [0,1,0,1,0,0|2,0,0]=4 184 B10R1.27 NNC(=O)CN1CCCC1 4088111 [0,1,0,1,0,0|2,0,0]=4 185 B10R1.131 CNCC1CC(=O)N(C)C1 4003816 [0,1,0,1,0,0|2,0,0]=4 186 B10R1.1 C#CCN1CCC(=O)CC1 4040850 [0,1,0,1,0,0|0,0,2]=4 187 B10R1.1 CN1CCC(CCN)CC1 4011931 [0,1,0,1,0,0|2,0,0]=4 188 B10R1.1 CN1CCC(CCO)CC1 4035013 [0,1,0,1,0,0|2,0,0]=4 189 B10R1.1 CNCC1CCN(C)CC1 4103004 [0,1,0,1,0,0|2,0,0]=4 190 B10R1.1 N#CCN1CCC(=O)CC1 4031740 [0,1,0,1,0,0|1,0,1]=4 191 B10R1.2 CCN1CCNC(=O)C1C 4044255 [0,1,0,1,0,0|1,0,0]=3 192 B10R1.2 CCN1CCNC(C)C1=O 4005832 [0,1,0,1,0,0|2,0,0]=4 193 B10R1.16 CCNCC1CCN(C)C1 4026487 [0,1,0,1,0,0|2,0,0]=4 194 B10R1.172 CCN1CCCC(CN)C1 4010586 [0,1,0,1,0,0|2,0,0]=4 195 B10R1.172 CCN1CCCC(CO)C1 4010735 [0,1,0,1,0,0|2,0,0]=4 196 B10R1.23 CC(Cl)C(=O)N1CCCC1 4027943 [0,1,0,1,0,0|1,0,0]=3 197 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 4045593 [0,1,0,1,0,0|2,0,0]=4 198 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 4089266 [0,1,0,1,0,0|2,0,0]=4 199 B10R2.61 O=C1N[C@H]2CCC[C@@H]1C2 4091297 [0,0,0,2,0,0|1,0,0]=3 200 B10R2.32 O=C1NC[C@H]2CNC[C@@H]12 4091201 [0,0,0,2,0,0|2,0,0]=4 201 B10R2.16 NC1(C2CCCC2)CC1 4028261 [0,0,0,2,0,0|1,0,1]=4