0 B7R0.3 CCC(=O)NCCN 4110359 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.3 CCCNC(C)CO 4027950 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 CCCOC(C)CN 4031060 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 CCN(C)CCCCl 4032711 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.3 CCN(C)CCCCl 4090852 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 CCN(C)CCCO 4027001 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 CCOCC(=O)NN 4024074 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.3 CCOCC(=O)NN 4089996 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.3 CCOCC(O)CN 4001724 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.3 CNC(=O)CCCN 4030090 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.3 CNC(=O)CN=[N+]=[N-] 4040083 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.3 CNCCC(=O)NC 4030744 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.3 COCC\C(N)=N/O 4035623 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.1 CCC(C)CCN 4015078 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCCC(=O)NN 3002586 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 CCCC(N)CC 4028240 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.1 CCCC(N)CC 4088911 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 CCC\C(N)=N\O 4030621 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.1 CCC\C(N)=N\O 4089955 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.1 CCNC(=O)CBr 4023688 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCNC(C)CC 4024881 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.1 CCNC(C)CC 4089770 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CNC(=O)CCCl 4027989 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.1 CNC(=O)CCO 4035059 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CNCC(=O)NC 4033340 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 COC(=O)CCO 4041011 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 CCCCC(=N)N 4012905 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CCOCC(=N)N 4018504 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CCOCC(=N)N 4088124 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 CNCCC(=O)O 4036102 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 CNCCC(N)=O 4029061 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.4 COCCC(C)=O 4022132 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CSCCC(=N)N 4042665 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 NC(=O)CCCCl 4028442 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 CCCSCCN 4033597 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.6 CCCSCCN 4089004 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 CNCCCOC 4021520 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 FCCCCCBr 4041608 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.1 C=CCNC(=O)CCCl 4027154 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.3 CCN(C)C(C)CCN 4027132 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.8 C=CCNC(=O)C(C)Cl 4027134 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,1,0,0,0,0|1,0,0]=2 51 B8R0.8 CCCNC(C)C(C)C 4024851 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.8 CCCNC(C)C(C)C 4088422 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.11 CCCNC(CC)CC 4024896 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.11 CCCNC(CC)CC 4088634 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,1,0,0,0,0|2,0,0]=3 60 B8R0.19 CCN(C)CC(=O)NN 4032665 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.19 CCN(C)CC(=O)NN 4090335 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.19 CCN(C)CC(C)CN 4028082 [0,1,0,0,0,0|3,0,0]=4 63 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.25 CCS(=O)(=O)CCNC 4039868 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.1 CCC1COC(=O)N1 4044759 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.1 CCN1CCC(N)C1 4035338 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.1 CN1CCC(CBr)C1 4044199 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.1 CN1CCC(CCl)C1 4018173 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.1 CN1CCC(CN)C1 4003800 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.1 CN1CCC(CO)C1 4003799 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.1 NCC1CCC(=O)N1 4110532 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.1 NCC1CNC(=O)C1 4002894 [0,0,0,1,0,0|2,0,0]=3 74 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.1 O=C1CC(CO)CN1 4108826 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.1 O=C1CCC(CI)N1 4110716 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.2 CCC1CCCNC1 4018855 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.2 CCC1CCNCC1 4004580 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.2 CCC1CCNCC1 4110368 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.2 CCC1CNCCN1 4029768 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.2 CCC1CNCCO1 4018983 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.2 CCC1COCCN1 4021665 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.2 CCC1COCCN1 4087890 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.2 NCC1=CCCCC1 4019756 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.2 NCC1CCCCO1 4087791 [0,0,0,1,0,0|1,0,2]=4 87 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.3 CN1CCC(N)CC1 4003460 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.3 O=C1CCC(O)CC1 4029093 [0,0,0,1,0,0|1,0,0]=2 92 B8R1.3 O=C1NCC(O)CN1 4044966 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.5 CC1CNCCN1C 4002085 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.5 CC1CNCCN1C 4089459 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.5 CC1NCCNC1=O 4028234 [0,0,0,1,0,0|2,0,0]=3 96 B8R1.5 CC1OCCNC1=O 4045691 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.5 CC1SCCNC1=O 4044376 [0,0,0,1,0,0|2,0,0]=3 98 B8R1.5 CN1CCCNC1=O 4035075 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.5 CN1CCNCC1=O 4102111 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.5 NC1CCCNC1=O 4002400 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.22 OC1CCCNCC1 4030734 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.38 NNC(=O)C1CCC1 4032586 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.40 NCC(=O)NC1CC1 4031002 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.40 N\C(CC1CC1)=N/O 4044756 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.41 COCCC1(N)CC1 4021538 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.50 CC1=NNC(=O)C1C 4042832 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.52 CCC1(N)CCCC1 4017676 [0,0,0,1,0,0|1,0,1]=3 119 B5R0.1 NC(=O)CCO 4070037 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 NCCC(N)=O 4034723 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.2 C=CCCCN 4075680 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.2 C=CCCNC 4110731 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.2 CNCCSC 4036386 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.3 CNC(=O)CBr 4023689 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.3 CNC(=O)CCl 4031514 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.3 CNC(=O)CN 4030580 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|2,0,0]=4 128 B7R0.2 CC(C)CC(=O)NN 3014977 [1,1,0,0,0,0|2,0,0]=4 129 B7R0.2 CC(C)CC(=O)NN 4032888 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.2 CC(C)NC(=O)CBr 4023681 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.2 CC(C)NC(=O)CN 4030242 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.2 CC(C)NC(=O)CN 4091078 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.2 CC(O)CC(=O)NN 3015526 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.5 CCNC(=O)C(C)Cl 4028638 [1,1,0,0,0,0|1,0,0]=3 135 B7R0.5 CN(C)C(=O)CCCl 4027165 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.5 CN(C)C(=O)CCN 4033580 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.5 CN(C)C(=O)CCO 4035245 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.7 CCCC(C)NCC 4024861 [1,1,0,0,0,0|1,0,1]=4 139 B7R0.7 CCNC(=O)CCCl 4027744 [1,1,0,0,0,0|1,0,0]=3 140 B7R0.7 CCOC(=O)CCO 4040900 [1,1,0,0,0,0|1,0,0]=3 141 B7R0.10 CCC(C)C(=O)NN 4031480 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.10 CCC(N)C(=O)NC 4033837 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.10 CCC(N)C(=O)NO 4045655 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.10 CCN(C)C(=O)CCl 4027839 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.10 CNC(=O)C(C)CN 4035379 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.10 CNC(=O)C(C)NC 4034384 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.10 CNC(C)C(=O)OC 4044238 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.10 COC(=O)C(C)CN 4052567 [1,1,0,0,0,0|2,0,0]=4 149 B7R0.11 CCS(=O)(=O)CCN 4033794 [1,1,0,0,0,0|2,0,0]=4 150 B7R0.4 CC(=O)NCCCO 4032317 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.4 CCCCCC(=N)N 4012907 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.4 CCCCCC(=N)N 4088605 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.4 CCCCNC(C)C 4024831 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.4 CCCOCC(=O)O 4020861 [1,1,0,0,0,0|1,0,0]=3 155 B7R0.4 CCCSCC(=O)O 4028731 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.4 CCSCCC(=O)O 4028457 [1,1,0,0,0,0|1,0,0]=3 157 B7R0.6 CC(=O)CCN(C)C 4090669 [1,1,0,0,0,0|1,0,0]=3 158 B7R0.6 CC(=O)CCN(C)C 5108147 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.6 CC(C)CCC(=N)N 4012910 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.6 CC(C)CCC(=N)N 4091144 [1,1,0,0,0,0|2,0,0]=4 161 B7R0.6 CC(C)NCC(=O)O 4028411 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.6 CC(C)OCC(=O)O 4020858 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.6 CC(C)SCC(=O)O 4028613 [1,1,0,0,0,0|2,0,0]=4 164 B7R0.8 CS(=O)(=O)CCCO 4031323 [1,1,0,0,0,0|2,0,0]=4 165 B9R0.5 CCCCNC(=O)CNC 4025910 [0,2,0,0,0,0|0,0,0]=2 166 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,2,0,0,0,0|1,0,1]=4 167 B9R0.46 COC(=O)CCCN=C=S 4014136 [0,2,0,0,0,0|1,0,1]=4 168 B9R0.7 CC(C)CNC(=O)C(C)Cl 4030847 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.21 CNC(=O)CCC(C)(C)N 4041154 [0,2,0,0,0,0|1,0,0]=3 170 B9R0.22 CCC(C)(C)NC(=O)CCl 4028628 [0,2,0,0,0,0|2,0,0]=4 171 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.3 O=C1CNCCN1 4102110 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.4 NC1CCNC1=O 4110613 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.21 CCCC1(N)CC1 4021536 [1,0,0,1,0,0|1,0,1]=4 179 B7R1.22 CCC(N)C1CC1 4044918 [1,0,0,1,0,0|1,0,1]=4 180 B7R1.22 NNC(=O)C1CC1 3014982 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.14 CC1(N)CCCC1 4017355 [1,0,0,1,0,0|1,0,1]=4 182 B7R1.20 CC(=O)CC1CC1 4002838 [1,0,0,1,0,0|0,0,0]=2 183 B9R1.2 CCC1COCC(=O)N1 4027565 [0,1,0,1,0,0|1,0,0]=3 184 B9R1.2 CCN1CCCC(N)C1 4028708 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.2 CCN1CCNC(=O)C1 4044495 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 4073239 [0,1,0,1,0,0|0,0,2]=4 187 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [0,1,0,1,0,0|0,0,2]=4 188 B9R1.7 CCCN1CCC(N)C1 4044403 [0,1,0,1,0,0|1,0,1]=4 189 B9R1.7 CNCC1CCC(=O)N1 4111539 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.7 CNCC1CCN(C)C1 4003801 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.7 N#CC[C@H]1CCC(=O)N1 4067809 [0,1,0,1,0,0|1,0,1]=4 192 B9R1.8 BrCCC1CCCCN1 4027974 [0,1,0,1,0,0|1,0,1]=4 193 B9R1.8 BrCCC1CCCCN1 4090143 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.8 CNCC1CCCCC1 4028444 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.8 CNCC1CCCCO1 4003543 [0,1,0,1,0,0|0,0,2]=4 196 B9R1.8 CNCC1CCCCO1 4088030 [0,1,0,1,0,0|0,0,2]=4 197 B9R1.8 COCC1CCCCN1 4002970 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.8 NCCC1CCCCC1 4005014 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.8 NCCC1CCCCC1 4089549 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.8 NCCC1CCCCO1 4002169 [0,1,0,1,0,0|0,0,2]=4 201 B9R1.8 NCCC1CCCCO1 4085477 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.8 OCCC1CCCCO1 4016654 [0,1,0,1,0,0|0,0,2]=4 203 B9R1.15 CCC1NCCNC1=O 4004453 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.15 CCC1SCCNC1=O 4045692 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.15 CCN1CCCNC1=O 4040526 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.15 CCN1CCNCC1=O 4011544 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.15 CN1CCCCC1CBr 4044778 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.15 CN1CCCCC1CCl 4033657 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.15 CN1CCCCC1CN 4088041 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.15 CN1CCCCC1CN 4100051 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.33 NCCN1CCCC1=O 4006050 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.33 NCCN1CCOC1=O 4012055 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.33 O=C1CCCN1CCBr 4035171 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.33 O=C1CCCN1CCCl 6141229 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,1,0,0|0,0,0]=2 216 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,1,0,0|0,0,0]=2 217 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,1,0,0|1,0,0]=3 218 B9R1.49 CN1CCCC(N)CC1 4039072 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.69 CC1CNC(=O)N(C)C1 4041052 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C 4079048 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.75 O=C(CCCl)NC1CC1 5694825 [0,1,0,1,0,0|1,0,0]=3 222 B9R1.134 COCC1(N)CCCC1 4017679 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.134 NCCC1(O)CCCC1 4021558 [0,1,0,1,0,0|0,0,2]=4 224 B9R1.3 CC1NCCN(C)C1=O 4005831 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.5 CN1CCNCCC1=O 4036421 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4049315 [0,1,0,1,0,0|0,0,2]=4 229 B9R1.11 CCC(=O)C1CCCC1 4026118 [0,1,0,1,0,0|0,0,0]=2 230 B9R1.11 CNC(=O)C1CCNC1 4108211 [0,1,0,1,0,0|1,0,0]=3 231 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.11 NCC(=O)N1CCCC1 4019877 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.11 NNC(=O)C1CCCC1 3014983 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4046250 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4047525 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.132 CN1C(=O)CCC1CI 4110721 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.132 CN1C(=O)CCC1CN 4110762 [0,1,0,1,0,0|1,0,0]=3 239 B9R1.1 CC1=CCC(CO)CC1 4031964 [0,1,0,1,0,0|1,0,1]=4 240 B9R1.1 CN1CCC(C=O)CC1 4017912 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.1 CN1CCC(CBr)CC1 4039885 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.1 CN1CCC(CCl)CC1 4044401 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.1 CN1CCC(CN)CC1 4103003 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.1 CN1CCC(CO)CC1 4002191 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4048210 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.21 CCC1=NOC(CBr)C1 4003056 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.21 CCC1=NOC(CN)C1 4034031 [0,1,0,1,0,0|1,0,1]=4 248 B9R1.21 CCN1CCC(CBr)C1 4044062 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.21 CCN1CCC(CCl)C1 4028189 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.21 CCN1CCC(CO)C1 4026419 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.89 CCC1CCCNCC1 4042576 [0,1,0,1,0,0|1,0,1]=4 252 B9R1.89 CCN1CCCNCC1 4013095 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.89 CCN1CCCNCC1 4089876 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.89 CNC1CCCCCC1 4027537 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.89 O=CN1CCCNCC1 3002895 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.118 CCC1(C)CCCNC1 4043267 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.118 CCC1(C)CCNCC1 4021540 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.118 CCC1(O)CCCNC1 4016061 [0,1,0,1,0,0|0,0,2]=4 259 B9R1.6 CC(N)C1=CCCCC1 4019757 [0,1,0,1,0,0|1,0,0]=3 260 B9R1.6 CC(N)C1CCCCC1 4019758 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.6 CC(N)C1CCCCC1 4087887 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.23 CN1CC(CBr)CC1=O 4072621 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.23 CN1CC(CN)CC1=O 4003814 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.23 CN1CC(CO)CC1=O 4003813 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.35 CC(C)N1CCC(=O)C1 4085392 [0,1,0,1,0,0|1,0,0]=3 266 B9R1.40 CC1(C)NCCNC1=O 4014693 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.112 CC(Br)C(=O)NC1CC1 4028087 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.10 CC1(C)CCC(=O)NC1 4036246 [0,1,0,1,0,0|1,0,0]=3 269 B9R1.10 NC1CCS(=O)(=O)CC1 4038443 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.10 O=S1(=O)CCC(O)CC1 4035565 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.133 CNC1CCS(=O)(=O)C1 4100782 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.133 NCC1CCS(=O)(=O)C1 4003122 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.133 O=S1(=O)CCC(CCl)C1 4011809 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.133 O=S1(=O)CCC(CO)C1 4011810 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.185 CC1(C)CC1C(=O)NN 4033496 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.185 CCC(=O)C1CC1(C)C 4032891 [0,1,0,1,0,0|0,0,0]=2 277 B9R1.148 CC1(N)CCCCCC1 4025641 [0,1,0,1,0,0|1,0,1]=4 278 B9R2.39 NC1CC2CCC1C2 4017975 [0,0,0,2,0,0|1,0,1]=4 279 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 4077747 [0,0,0,2,0,0|1,0,1]=4 280 B9R2.174 C1CCC2(CC2)NC1 4026343 [0,0,0,2,0,0|1,0,1]=4