0 B7R0.4 C=CCSCC(=O)O 4026839 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(=O)NCCCO 4032317 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CC(C)CNCCO 4029069 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(C)NCCCO 4088008 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CC(C)NCCCO 5116284 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CC(C)OCCCO 4034289 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CCCCCC(=N)N 4012907 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 CCCCCC(=N)N 4088605 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 CCCCNC(C)C 4024831 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.4 CCCOCC(=O)O 4020861 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 CCCSCC(=O)O 4028731 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.4 CCSCCC(=O)O 4028457 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 COCCNC(=N)N 4018285 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CCCCC(=N)N 4012905 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 CCOCC(=N)N 4018504 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CCOCC(=N)N 4088124 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 CNCCC(=O)O 4036102 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CNCCC(N)=O 4029061 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 COCCC(C)=O 4022132 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CSCCC(=N)N 4042665 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 NC(=O)CCCCl 4028442 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.6 C=CCCCCN 4067494 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.6 C=CCNCCC 4031693 [1,0,0,0,0,0|1,0,1]=3 23 B6R0.6 CCCSCCN 4033597 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 CCCSCCN 4089004 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.6 CNCCCOC 4021520 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 COCCN=C=O 4027817 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 FCCCCCBr 4041608 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.5 CCCS(=O)CC(=O)O 4027354 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.5 CN(CCO)CC(=O)O 4027421 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.7 C\C=C\CCCC(=O)O 4074621 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.8 CCCNC(C)C(C)C 4024851 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.8 CCCNC(C)C(C)C 4088422 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,1,0,0,0,0|2,0,0]=3 40 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,1,0,0,0,0|2,0,0]=3 43 B8R0.28 NC(=O)CCCC(=O)O 4027348 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.1 CCC1COC(=O)N1 4044759 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.1 CCN1CCC(N)C1 4035338 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.1 CN1CCC(CBr)C1 4044199 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.1 CN1CCC(CCl)C1 4018173 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.1 CN1CCC(CN)C1 4003800 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.1 CN1CCC(CO)C1 4003799 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.1 NCC1CCC(=O)N1 4110532 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.1 NCC1CNC(=O)C1 4002894 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.1 O=C1CC(CO)CN1 4108826 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,0,0,1,0,0|2,0,0]=3 55 B8R1.1 O=C1CCC(CI)N1 4110716 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,0|1,0,0]=2 57 B8R1.4 CC1CN(C)CCN1 4050805 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.4 CN1CCCC(N)C1 4004054 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.6 NCC[C@H]1C[C@@H](O)C1 4078254 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.7 CC(=O)C1CCCC1 4031395 [0,0,0,1,0,0|0,0,0]=1 69 B8R1.7 CC(=O)C1CCCO1 4075977 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.7 CC(N)C1CCCC1 4040740 [0,0,0,1,0,0|1,0,1]=3 71 B8R1.7 N=C(N)C1CCOC1 4108969 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.7 O=C(O)C1CCCS1 4045536 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.19 CC1CCNC1(C)C 4044856 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,1,0,0|1,0,1]=3 75 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.22 OC1CCCNCC1 4030734 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.34 O=C(O)CC1CCC1 4028895 [0,0,0,1,0,0|1,0,0]=2 82 B8R1.35 CC(C)CNC1CC1 4030537 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.35 CC(C)NCC1CC1 4024833 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.35 O=C(O)C#CC1CC1 5118948 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.72 CC1(C)CCCNC1 4029954 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.72 CC1(C)CCNCC1 4023814 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.72 CC1(N)CCCCC1 4017356 [0,0,0,1,0,0|1,0,1]=3 88 B8R1.72 CC1(O)CCCNC1 4016060 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.72 O=S1(=O)CCNCC1 4014927 [0,0,0,1,0,0|3,0,0]=4 90 B5R0.1 NC(=O)CCO 4070037 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.1 NCCC(N)=O 4034723 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.2 C=CCCCN 4075680 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.2 C=CCCNC 4110731 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.2 CNCCSC 4036386 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.2 CCC(C)CC(=N)N 4012909 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.2 CCC(C)CC(=N)N 4088237 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.2 CCC(C)CC(C)=O 4031282 [1,1,0,0,0,0|0,0,0]=2 98 B7R0.2 CCC(N)CN(C)C 4026183 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.2 CCN(C)CC(=O)O 4026801 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.2 CCN(C)CC(C)=O 4028374 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.2 CCN(C)CC(C)=O 4088950 [1,1,0,0,0,0|1,0,0]=3 102 B7R0.2 CNC(C)CC(=O)O 4035495 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.2 CNC(C)CC(N)=O 4043924 [1,1,0,0,0,0|2,0,0]=4 104 B7R0.3 CCC(=O)NCCN 4110359 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.3 CCOCC(=O)NN 4024074 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.3 CCOCC(=O)NN 4089996 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.3 CNC(=O)CCCN 4030090 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.3 CNCCC(=O)NC 4030744 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.5 CC(=O)N(C)CCO 4036108 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.5 CCNC(C)C(N)=O 4030069 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.5 CCNC(C)C(N)=O 4089759 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.5 CCOC(C)C(=O)O 4020873 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.5 CCSC(C)C(=O)O 4028492 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.5 CNCC(C)C(=O)O 4043069 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.6 CC(=O)CCN(C)C 4090669 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.6 CC(=O)CCN(C)C 5108147 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.6 CC(C)CCC(=N)N 4012910 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.6 CC(C)CCC(=N)N 4091144 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.6 CC(C)NCC(=O)O 4028411 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.6 CC(C)OCC(=O)O 4020858 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.6 CC(C)SCC(=O)O 4028613 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.8 CS(=O)(=O)CCCO 4031323 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.7 CCCC(C)NCC 4024861 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.7 CCOC(C)CNC 4030660 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.7 CNCC(O)COC 4035032 [1,1,0,0,0,0|2,0,0]=4 126 B9R0.4 CCCCC(N)CC(=O)O 4012458 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.4 COCCN(C)CC(=O)O 4017705 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.4 COCCN(C)CC(=O)O 4088892 [0,2,0,0,0,0|2,0,0]=4 129 B9R0.4 COCCN(C)CC(=O)O 4091213 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.23 CCN(C)C(C)CC(=O)O 4028645 [0,2,0,0,0,0|2,0,0]=4 131 B9R0.5 CCCCNC(=O)CNC 4025910 [0,2,0,0,0,0|1,0,0]=3 132 B9R0.46 COC(=O)CCCN=C=S 4014136 [0,2,0,0,0,0|1,0,1]=4 133 B9R0.2 COCCCCCC(=O)O 4021515 [0,2,0,0,0,0|1,0,0]=3 134 B9R0.7 CC(C)N(C)CCC(=O)O 4028345 [0,2,0,0,0,0|2,0,0]=4 135 B9R0.7 CC(C)N(C)CCC(=O)O 4091071 [0,2,0,0,0,0|2,0,0]=4 136 B9R0.42 CCN(C)CC(C)C(=O)O 4027257 [0,2,0,0,0,0|2,0,0]=4 137 B9R0.42 CCN(C)CC(C)C(=O)O 4088844 [0,2,0,0,0,0|2,0,0]=4 138 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.3 CC1=CCNCC1 4036573 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.3 O=C1CNCCN1 4102110 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.14 CC1(N)CCCC1 4017355 [1,0,0,1,0,0|1,0,1]=4 146 B7R1.20 CC(=O)CC1CC1 4002838 [1,0,0,1,0,0|0,0,0]=2 147 B7R1.1 BrCC1CCOC1 4037584 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.1 C=CC1CCNC1 4051562 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.1 CCC1C=CCN1 4030606 [1,0,0,1,0,0|1,0,1]=4 150 B7R1.1 CCC1CCNC1 4018760 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.1 COC1CCNC1 4029717 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.1 NCC1CCCC1 4018103 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.1 NCC1CCCC1 4110554 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.1 NCC1CCOC1 4037969 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.1 OCC1CCNC1 4003674 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.4 NC1CCNC1=O 4110613 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.6 CNCC1CCC1 4031455 [1,0,0,1,0,0|1,0,0]=3 158 B7R1.6 N#CCC1CCC1 4031421 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.6 NCCC1CCC1 4036646 [1,0,0,1,0,0|1,0,1]=4 160 B9R1.7 CCCN1CCC(N)C1 4044403 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.7 CNCC1CCC(=O)N1 4111539 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.7 CNCC1CCN(C)C1 4003801 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.7 N#CC[C@H]1CCC(=O)N1 4067809 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.13 CC(C)CC1CCNC1 4018759 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.13 CC(N)CN1CCCC1 4011425 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.13 CN(C)CC1CCNC1 4013846 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.13 O=C(O)CC1CCCN1 4004817 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.13 O=C(O)CC1CCOC1 4004832 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.13 O=C(O)CN1CCCC1 4088005 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.13 O=C(O)CN1CCCC1 4401694 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.41 CN(C)[C@@H]1CCC[C@H]1N 4074132 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.41 CN1CCC[C@H]1C(=O)O 4030671 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.41 CN1CSC[C@H]1C(=O)O 4035601 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [0,1,0,1,0,0|1,0,0]=3 175 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,1,0,0|1,0,0]=3 176 B9R1.48 CC1CN(C)CCCN1 4017933 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,1,0,1,0,0|0,0,1]=3 178 B9R1.1 CC1=CCC(CO)CC1 4031964 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.2 CCC1COCC(=O)N1 4027565 [0,1,0,1,0,0|1,0,0]=3 180 B9R1.2 CCN1CCCC(N)C1 4028708 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.2 CCN1CCNC(=O)C1 4044495 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 4073239 [0,1,0,1,0,0|0,0,2]=4 183 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [0,1,0,1,0,0|0,0,2]=4 184 B9R1.2 CN1CCCC(CBr)C1 4041076 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.2 CN1CCCC(CN)C1 4103006 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.3 CC1NCCN(C)C1=O 4005831 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.5 CN1CCNCCC1=O 4036421 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4049315 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.11 CCC(=O)C1CCCC1 4026118 [0,1,0,1,0,0|0,0,0]=2 192 B9R1.11 CNC(=O)C1CCNC1 4108211 [0,1,0,1,0,0|1,0,0]=3 193 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [0,1,0,1,0,0|1,0,0]=3 194 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [0,1,0,1,0,0|1,0,0]=3 195 B9R1.11 NCC(=O)N1CCCC1 4019877 [0,1,0,1,0,0|1,0,0]=3 196 B9R1.11 NNC(=O)C1CCCC1 3014983 [0,1,0,1,0,0|1,0,0]=3 197 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,1,0,0|1,0,0]=3 198 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.49 CN1CCCC(N)CC1 4039072 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.89 CNC1CCCCCC1 4027537 [0,1,0,1,0,0|1,0,1]=4 201 B9R1.89 O=CN1CCCNCC1 3002895 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.89 OCC1CCCCCN1 5510936 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.118 CC1(C=O)CCOCC1 4020982 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.118 CC1(CN)CCCCC1 4043142 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.118 NC1(CO)CCCCC1 4032526 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.132 CN1C(=O)CCC1CI 4110721 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.132 CN1C(=O)CCC1CN 4110762 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.6 CC(=O)C1CCCNC1 4005879 [0,1,0,1,0,0|0,0,0]=2 209 B9R1.6 CC(=O)C1CCCNC1 4087824 [0,1,0,1,0,0|0,0,0]=2 210 B9R1.6 CC(C)C1CCCNC1 4016074 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.6 CC(C)C1CCNCC1 4016223 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.6 CC(N)C1CCCCC1 4019758 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.6 CC(N)C1CCCCC1 4087887 [0,1,0,1,0,0|1,0,1]=4 214 B9R1.6 CC(O)C1CCNCC1 4027058 [0,1,0,1,0,0|0,0,2]=4 215 B9R1.6 CN(C)C1CCCNC1 4018212 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.6 CN(C)C1CCNCC1 4018153 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.6 N=C(N)C1CCOCC1 4052824 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.6 NC(=O)C1CNCCO1 4036482 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.6 NC(=S)C1CCNCC1 4009820 [0,1,0,1,0,0|1,1,0]=4 220 B9R1.6 O=C(O)C1CCCCO1 4014945 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.6 O=C(O)C1CCOCC1 4004296 [0,1,0,1,0,0|1,0,0]=3 222 B9R1.6 O=C(O)C1CCSCN1 4027710 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.6 O=C(O)C1SCCCS1 4049559 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.84 O=C(O)CCC1CCC1 4030352 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.85 O=C(O)CSCC1CC1 4028705 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.148 CC1(N)CCCCCC1 4025641 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.148 CC1(O)CCCNCC1 4037757 [0,1,0,1,0,0|0,0,2]=4 228 B9R1.23 CN1CC(CBr)CC1=O 4072621 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.23 CN1CC(CN)CC1=O 4003814 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.23 CN1CC(CO)CC1=O 4003813 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.35 CC(C)N1CCC(=O)C1 4085392 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.35 CN1CCC(C(=O)O)C1 4003798 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.35 CN1CCC(C(=O)O)C1 4087795 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.163 CC1(C(=O)O)CCCC1 4043330 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.163 CC1(C(=O)O)CCCN1 4039700 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.163 CC1(C(=O)O)CCCO1 4018168 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.163 CC1(C(=O)O)CCNC1 4031237 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.163 C[C@]1(C(=O)O)CCCN1 4142037 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.163 O=C(O)C1(O)CCCC1 4030817 [0,1,0,1,0,0|1,0,0]=3 240 B9R1.10 NC1CCS(=O)(=O)CC1 4038443 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.10 O=S1(=O)CCC(O)CC1 4035565 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.133 CNC1CCS(=O)(=O)C1 4100782 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.133 NCC1CCS(=O)(=O)C1 4003122 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.133 O=S1(=O)CCC(CCl)C1 4011809 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.133 O=S1(=O)CCC(CO)C1 4011810 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.170 O=C(O)CC1CC1(F)F 4037447 [0,1,0,1,0,0|2,0,0]=4 247 B9R2.39 NC1CC2CCC1C2 4017975 [0,0,0,2,0,0|1,0,1]=4 248 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 4077747 [0,0,0,2,0,0|1,0,1]=4 249 B9R2.68 [C@H]12CCC[C@H](C1)NC2 4101829 [0,0,0,2,0,0|1,0,1]=4 250 B9R2.143 O=C(O)C1CC12CC2 4012322 [0,0,0,2,0,0|1,0,0]=3