0 B7R0.3 CCC(=O)NCCN 4110359 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 CCN(C)CCCCl 4032711 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 CCN(C)CCCCl 4090852 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 CCN(C)CCCO 4027001 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.3 CCOCC(=O)NN 4024074 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 CCOCC(=O)NN 4089996 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.3 CNC(=O)CCCN 4030090 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 CNC(=O)CN=[N+]=[N-] 4040083 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.3 CNCCC(=O)NC 4030744 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 COCC\C(N)=N/O 4035623 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.1 CCCC(=O)NN 3002586 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 CCCC(N)CC 4028240 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCCC(N)CC 4088911 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCC\C(N)=N\O 4030621 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCC\C(N)=N\O 4089955 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 CCNC(=O)CBr 4023688 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 CNC(=O)CCCl 4027989 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 CNC(=O)CCO 4035059 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.1 CNCC(=O)NC 4033340 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 CNCC(C)OC 4031677 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.1 COC(=O)CCO 4041011 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 COC(C)CCN 4043534 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCCCC(=N)N 4012905 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CCOCC(=N)N 4018504 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CCOCC(=N)N 4088124 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CNCCC(=O)O 4036102 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 CNCCC(N)=O 4029061 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 COCCC(C)=O 4022132 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.4 CSCCC(=N)N 4042665 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 NC(=O)CCCCl 4028442 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CNCCCOC 4021520 [1,0,0,0,0,0|1,0,1]=3 32 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,1,0,0,0,0|1,0,0]=2 38 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.8 CCCNC(=O)C(=O)O 4027289 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,1,0,0,0,0|3,0,0]=4 44 B8R0.19 CCN(C)CC(=O)NN 4032665 [0,1,0,0,0,0|3,0,0]=4 45 B8R0.19 CCN(C)CC(=O)NN 4090335 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.25 CCS(=O)(=O)CCNC 4039868 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 CCC1COC(=O)N1 4044759 [0,0,0,1,0,0|1,0,0]=2 50 B8R1.1 NCC1CCC(=O)N1 4110532 [0,0,0,1,0,0|3,0,0]=4 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|3,0,0]=4 55 B8R1.1 O=C1CCC(CI)N1 4110716 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.2 COC1CCCNC1 4002969 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.2 COC1CCCNC1 4087774 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.2 COC1CCCNC1 4088818 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.2 COC1CCNCC1 4002968 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.2 COC1CCNCC1 4088815 [0,0,0,1,0,0|2,0,1]=4 61 B8R1.2 NCC1=CCCCC1 4019756 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,0,0,1,0,0|2,0,0]=3 64 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,0,0,1,0,0|2,0,0]=3 65 B8R1.3 O=C1CCC(O)CC1 4029093 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.3 O=C1NCC(O)CN1 4044966 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.5 CC1NCCNC1=O 4028234 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.5 CC1OCCNC1=O 4045691 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.5 CC1SCCNC1=O 4044376 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.5 CN1CCCNC1=O 4035075 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.5 CN1CCNCC1=O 4102111 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.5 NC1CCCNC1=O 4002400 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.38 NNC(=O)C1CCC1 4032586 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.40 NCC(=O)NC1CC1 4031002 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.40 N\C(CC1CC1)=N/O 4044756 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.52 CCC1(N)CCCC1 4017676 [0,0,0,1,0,0|2,0,1]=4 83 B5R0.1 C#CCC(=O)O 4035749 [2,0,0,0,0,0|0,0,2]=4 84 B5R0.1 NC(=O)CCO 4070037 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 NCCC(N)=O 4034723 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.2 C=CCCCN 4075680 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.2 C=CCCNC 4110731 [2,0,0,0,0,0|1,0,1]=4 88 B5R0.2 CNCCSC 4036386 [2,0,0,0,0,0|1,1,0]=4 89 B5R0.2 COCCNN 4108243 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.3 CNC(=O)CBr 4023689 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.3 CNC(=O)CCl 4031514 [2,0,0,0,0,0|2,0,0]=4 92 B5R0.3 CNC(=O)CN 4030580 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|2,0,0]=4 94 B7R0.2 CC(C)CC(=O)NN 3014977 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.2 CC(C)CC(=O)NN 4032888 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.2 CC(O)CC(=O)NN 3015526 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.2 COC(=O)CC(=N)N 4042869 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.5 CCNC(=O)C(C)Cl 4028638 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.5 CN(C)C(=O)CCCl 4027165 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.5 CN(C)C(=O)CCN 4033580 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.5 CN(C)C(=O)CCO 4035245 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.7 CCNC(=O)CCCl 4027744 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.7 CCOC(=O)CCO 4040900 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.10 CCC(C)C(=O)NN 4031480 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.10 CCC(N)C(=O)NC 4033837 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.10 CCC(N)C(=O)NO 4045655 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.10 CNC(=O)C(C)CN 4035379 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.10 CNC(=O)C(C)NC 4034384 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.10 CNC(C)C(=O)OC 4044238 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.10 COC(=O)C(C)CN 4052567 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.4 C=CCSCC(=O)O 4026839 [1,1,0,0,0,0|0,0,2]=4 112 B7R0.4 CC(=O)NCCCO 4032317 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.4 CCCCCC(=N)N 4012907 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.4 CCCCCC(=N)N 4088605 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.4 CCCCNC(C)C 4024831 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.4 CCCOCC(=O)O 4020861 [1,1,0,0,0,0|0,0,0]=2 117 B7R0.4 CCCSCC(=O)O 4028731 [1,1,0,0,0,0|0,0,0]=2 118 B7R0.4 CCSCCC(=O)O 4028457 [1,1,0,0,0,0|0,0,0]=2 119 B7R0.6 CC(=O)CCN(C)C 4090669 [1,1,0,0,0,0|1,0,0]=3 120 B7R0.6 CC(=O)CCN(C)C 5108147 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.6 CC(C)CCC(=N)N 4012910 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.6 CC(C)CCC(=N)N 4091144 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.6 CC(C)NCC(=O)O 4028411 [1,1,0,0,0,0|1,0,0]=3 124 B7R0.6 CC(C)OCC(=O)O 4020858 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.6 CC(C)SCC(=O)O 4028613 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.8 CS(=O)(=O)CCCO 4031323 [1,1,0,0,0,0|2,0,0]=4 127 B9R0.5 CCCCNC(=O)CNC 4025910 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,2,0,0,0,0|1,0,1]=4 129 B9R0.46 COC(=O)CCCN=C=S 4014136 [0,2,0,0,0,0|0,0,1]=3 130 B9R0.7 CC(C)CNC(=O)C(C)Cl 4030847 [0,2,0,0,0,0|2,0,0]=4 131 B9R0.21 CNC(=O)CCC(C)(C)N 4041154 [0,2,0,0,0,0|1,0,0]=3 132 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|1,0,0]=3 133 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.3 O=C1CNCCN1 4102110 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.22 NNC(=O)C1CC1 3014982 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.14 CC1(N)CCCC1 4017355 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.20 CC(=O)CC1CC1 4002838 [1,0,0,1,0,0|0,0,0]=2 141 B9R1.2 CCC1COCC(=O)N1 4027565 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.2 CCN1CCNC(=O)C1 4044495 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.7 CNCC1CCC(=O)N1 4111539 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.8 COCC1CCCCN1 4002970 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.15 CCN1CCCNC1=O 4040526 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.15 CCN1CCNCC1=O 4011544 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.33 NCCN1CCOC1=O 4012055 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,1,0,0|1,0,0]=3 149 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,1,0,0|1,0,0]=3 150 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.69 CC1CNC(=O)N(C)C1 4041052 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.75 O=C(CCCl)NC1CC1 5694825 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.134 COCC1(N)CCCC1 4017679 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.3 CC1NCCN(C)C1=O 4005831 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,1,0,1,0,0|1,0,0]=3 157 B9R1.5 CN1CCNCCC1=O 4036421 [0,1,0,1,0,0|1,0,0]=3 158 B9R1.11 CCC(=O)C1CCCC1 4026118 [0,1,0,1,0,0|1,0,0]=3 159 B9R1.11 CNC(=O)C1CCNC1 4108211 [0,1,0,1,0,0|1,0,0]=3 160 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [0,1,0,1,0,0|1,0,0]=3 162 B9R1.11 NCC(=O)N1CCCC1 4019877 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.11 NNC(=O)C1CCCC1 3014983 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4046250 [0,1,0,1,0,0|0,0,0]=2 165 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4047525 [0,1,0,1,0,0|0,0,0]=2 166 B9R1.132 CN1C(=O)CCC1CI 4110721 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.132 CN1C(=O)CCC1CN 4110762 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.1 CC1=CCC(CO)CC1 4031964 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4048210 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.6 CC(N)C1=CCCCC1 4019757 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.23 CN1CC(CBr)CC1=O 4072621 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.23 CN1CC(CN)CC1=O 4003814 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.23 CN1CC(CO)CC1=O 4003813 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.35 CC(C)N1CCC(=O)C1 4085392 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.112 CC(Br)C(=O)NC1CC1 4028087 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.10 CC1(C)CCC(=O)NC1 4036246 [0,1,0,1,0,0|1,0,0]=3 177 B9R1.185 CC1(C)CC1C(=O)NN 4033496 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.185 CCC(=O)C1CC1(C)C 4032891 [0,1,0,1,0,0|1,0,0]=3