0 B6R0.1 C=CCC(O)CN 4080175 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC(C)CCN 4015078 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CCC(O)CNN 4030953 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCCC(N)CC 4028240 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCCC(N)CC 4088911 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCNC(C)CC 4024881 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CCNC(C)CC 4089770 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCNC(C)CO 4027506 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CCOC(C)CN 4029821 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CNC(=O)CCCl 4027989 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CNC(=O)CCO 4035059 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CNC(C)CCO 4027121 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.1 CNCC(C)OC 4031677 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 COC(=O)CCO 4041011 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.1 COC(C)CCN 4043534 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 COCC(N)CO 4030437 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.1 COCC(O)CN 4001723 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.1 N\C(CCO)=N/O 4044130 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CC(N)CCO 4027026 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CC(O)CNN 4028962 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C#CCCCBr 4079721 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 C#CCCCN 4063954 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.2 C=CCCCN 4075680 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.2 C=CCCNC 4110731 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 CNCCSC 4036386 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.2 COCCNN 4108243 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.2 NNCCCO 4085333 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.3 CC(CN)CO 4036254 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.3 CC[C@@H](O)CN 4036900 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CC\C(N)=N\O 4030035 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 CC\C(N)=N\O 4089717 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.3 CNC(=O)CO 4032781 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.3 CNC(C)CO 4028640 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.3 COC(C)C#N 4045776 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 COC(C)CN 4031070 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.3 COC(C)CO 4045600 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.2 CC(CN)CN(C)C 4027503 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 CC(CO)CN(C)C 4027873 [0,1,0,0,0,0|3,0,0]=4 41 B7R0.2 CCC(C)CC(=N)N 4012909 [0,1,0,0,0,0|1,0,1]=3 42 B7R0.2 CCC(C)CC(=N)N 4088237 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|0,0,2]=3 44 B7R0.2 CCC(N)CN(C)C 4026183 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.2 CCN(C)CC(=O)O 4026801 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.2 CCN(C)CC(C)=O 4028374 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.2 CCN(C)CC(C)=O 4088950 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 CNC(C)CC(=O)O 4035495 [0,1,0,0,0,0|1,0,1]=3 49 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.2 CNC(C)CC(N)=O 4043924 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.3 CCC(=O)NCCN 4110359 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.3 CCCNC(C)CO 4027950 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.3 CCCOC(C)CN 4031060 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.3 CCN(C)CCCCl 4032711 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.3 CCN(C)CCCCl 4090852 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.3 CCN(C)CCCO 4027001 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.3 CCOCC(O)CN 4001724 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.5 CC(=O)N(C)CCO 4036108 [0,1,0,0,0,0|1,0,1]=3 60 B7R0.5 CC(C)N(C)CCN 4025252 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.5 CC(CCN)N(C)C 4026896 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.5 CC(CCO)N(C)C 4027250 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.5 CN(C)C(=O)CCO 4035245 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.7 CCCC(C)NCC 4024861 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.7 CCNC(=O)CCCl 4027744 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.7 CCNC(C)CCO 4027124 [0,1,0,0,0,0|0,0,0]=1 67 B7R0.7 CCOC(=O)CCO 4040900 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.7 CCOC(C)CNC 4030660 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.7 CN(CCN)CCO 4028518 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.7 CNCC(O)COC 4035032 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.10 CCC(C)C(=O)NN 4031480 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.10 CCC(N)C(=O)NO 4045655 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.10 CCN(C)C(C)CO 4027973 [0,1,0,0,0,0|1,0,0]=2 76 B7R0.10 COC(C)\C(N)=N/O 4045625 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.11 CCNC(C)(C)CO 4029235 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.11 CCNC(C)(C)CO 4087910 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.11 CCS(=O)(=O)CCN 4033794 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.11 CNC(C)(C)COC 4027390 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.11 CNCC(C)(C)CO 4025868 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.11 COC(C)(C)CCN 4021563 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.11 COCC(C)(C)CN 4028135 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.12 CCOC(CC)CN 4031082 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.12 CCOC(CC)CN 4091080 [0,1,0,0,0,0|2,0,0]=3 86 B7R1.1 BrCC1CCOC1 4037584 [0,0,0,1,0,0|1,0,0]=2 87 B7R1.1 C=CC1CCNC1 4051562 [0,0,0,1,0,0|1,0,2]=4 88 B7R1.1 CCC1C=CCN1 4030606 [0,0,0,1,0,0|2,0,1]=4 89 B7R1.1 CCC1CCNC1 4018760 [0,0,0,1,0,0|1,0,0]=2 90 B7R1.1 COC1CCNC1 4029717 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.1 N#CC1CCOC1 4036887 [0,0,0,1,0,0|1,0,1]=3 92 B7R1.1 NCC1CCCC1 4018103 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.1 NCC1CCCC1 4110554 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.1 NCC1CCOC1 4037969 [0,0,0,1,0,0|1,0,0]=2 95 B7R1.1 NNC1CCOC1 4055519 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.1 OCC1CCNC1 4003674 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.2 CN1CCC(N)C1 4035974 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,0,0,1,0,0|1,0,0]=2 100 B7R1.3 BrC1CCCOC1 4032123 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,1,0,0|1,0,2]=4 102 B7R1.3 CC1CNCCO1 4019021 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 C[C@@H]1COCCN1 4037047 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.3 NC1CCCOC1 4018204 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.6 CNCC1CCC1 4031455 [0,0,0,1,0,0|2,0,0]=3 107 B7R1.6 N#CCC1CCC1 4031421 [0,0,0,1,0,0|1,0,1]=3 108 B7R1.6 NCCC1CCC1 4036646 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.10 CCN1CC(O)C1 4042847 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.10 CN1CC(CN)C1 4039121 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.21 CCCC1(N)CC1 4021536 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.22 CCC(N)C1CC1 4044918 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.22 OC(CBr)C1CC1 4047731 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.25 CC1(CN)COC1 4003584 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.25 CC1(CO)CSC1 4048667 [0,0,0,1,0,0|3,0,0]=4 116 B4R0.1 CC(C)NN 4032832 [2,0,0,0,0,0|2,0,0]=4 117 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.2 CC(C)CC(=N)N 4012906 [1,1,0,0,0,0|1,0,1]=4 119 B6R0.3 CC(C)C(O)CN 4038941 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.3 CC(C)\C(N)=N\O 4031815 [1,1,0,0,0,0|1,0,1]=4 121 B6R0.3 CC(CN)N(C)C 4026858 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.3 CN(C)C(=O)CO 4033769 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.3 CNC(C)C(C)C 4027192 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.4 C=CCNC(C)C 4026873 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.4 C=CCNC(C)C 4090944 [1,1,0,0,0,0|1,0,1]=4 126 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|1,0,0]=3 127 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|1,0,0]=3 128 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|1,0,1]=4 129 B6R0.5 CC(C)(C)CNN 4043230 [1,1,0,0,0,0|2,0,0]=4 130 B6R0.5 CC(C)(O)CCCl 4047844 [1,1,0,0,0,0|1,0,0]=3 131 B6R0.5 CC(C)(O)CCN 4044047 [1,1,0,0,0,0|1,0,0]=3 132 B6R0.5 CC(C)(O)CNN 4085384 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.5 CNCC(C)(C)C 4017477 [1,1,0,0,0,0|2,0,0]=4 134 B6R0.5 CNCC(C)(C)O 4085463 [1,1,0,0,0,0|2,0,0]=4 135 B6R0.5 COCC(C)(C)N 4017683 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.6 C=CCCCCN 4067494 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.6 C=CCNCCC 4031693 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.6 CCCSCCN 4033597 [1,1,0,0,0,0|1,0,0]=3 139 B6R0.6 CCCSCCN 4089004 [1,1,0,0,0,0|1,0,0]=3 140 B6R0.6 CCOCCNC 4030249 [1,1,0,0,0,0|2,0,0]=4 141 B6R0.6 CNCCCOC 4021520 [1,1,0,0,0,0|1,0,0]=3 142 B6R0.6 FCCCCCBr 4041608 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.8 C=CC(C)(C)CO 4071188 [1,1,0,0,0,0|0,0,2]=4 144 B6R0.8 CCC(C)(N)CC 4035688 [1,1,0,0,0,0|0,0,0]=2 145 B6R0.8 COC(C)(C)CN 4100459 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.9 CCC(CC)CN 4034714 [1,1,0,0,0,0|0,0,0]=2 147 B6R0.9 CCC(CC)NC 4027066 [1,1,0,0,0,0|0,0,0]=2 148 B6R0.9 CCC(CC)NC 4090629 [1,1,0,0,0,0|0,0,0]=2 149 B6R0.9 CCC(CN)OC 4031411 [1,1,0,0,0,0|1,0,0]=3 150 B8R0.2 CCN(C)C(C)C(=O)O 4027525 [0,2,0,0,0,0|1,0,1]=4 151 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.5 CN(CCO)CC(=O)O 4027421 [0,2,0,0,0,0|1,0,1]=4 153 B8R0.16 CCN(CC)CC(=O)O 4010142 [0,2,0,0,0,0|1,0,1]=4 154 B8R0.16 COC(CC(=O)O)OC 4049868 [0,2,0,0,0,0|1,0,1]=4 155 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,2,0,0,0,0|1,0,1]=4 156 B8R0.19 CCN(C)CC(C)CN 4028082 [0,2,0,0,0,0|2,0,0]=4 157 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [0,2,0,0,0,0|1,0,1]=4 158 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [0,2,0,0,0,0|1,0,1]=4 159 B8R0.3 CCN(C)C(C)CCN 4027132 [0,2,0,0,0,0|1,0,0]=3 160 B8R0.6 C\C=C\CNC(C)CC 4030326 [0,2,0,0,0,0|1,0,1]=4 161 B8R0.6 C\C=C\CNC(C)CC 4088628 [0,2,0,0,0,0|1,0,1]=4 162 B8R0.8 CCCNC(C)C(C)C 4024851 [0,2,0,0,0,0|1,0,0]=3 163 B8R0.8 CCCNC(C)C(C)C 4088422 [0,2,0,0,0,0|1,0,0]=3 164 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,2,0,0,0,0|1,0,0]=3 165 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,2,0,0,0,0|2,0,0]=4 167 B8R0.11 CCCNC(CC)CC 4024896 [0,2,0,0,0,0|1,0,0]=3 168 B8R0.11 CCCNC(CC)CC 4088634 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.12 CC(C)S(=O)(=O)CCO 4039720 [0,2,0,0,0,0|2,0,0]=4 170 B8R0.15 CCCC(CN)N(C)C 4028602 [0,2,0,0,0,0|2,0,0]=4 171 B8R0.13 CCN(C)C(C)(C)CN 4028095 [0,2,0,0,0,0|2,0,0]=4 172 B8R0.20 CCC(CN)N(C)CC 4028573 [0,2,0,0,0,0|2,0,0]=4 173 B6R1.2 CC1CNOC1 4040895 [1,0,0,1,0,0|1,0,0]=3 174 B6R1.2 NC1CCOC1 4003522 [1,0,0,1,0,0|1,0,0]=3 175 B6R1.2 OC1CNOC1 4044152 [1,0,0,1,0,0|2,0,0]=4 176 B6R1.3 CCNC1CC1 4110570 [1,0,0,1,0,0|2,0,0]=4 177 B6R1.3 CNCC1CC1 4033531 [1,0,0,1,0,0|2,0,0]=4 178 B6R1.5 N[C@H]1C[C@@H](O)C1 4054153 [1,0,0,1,0,0|1,0,0]=3 179 B6R1.5 N[C@H]1C[C@H](O)C1 4046339 [1,0,0,1,0,0|1,0,0]=3 180 B6R1.10 CC1(N)CCC1 4042856 [1,0,0,1,0,0|2,0,0]=4 181 B6R1.11 CC(N)C1CC1 4004109 [1,0,0,1,0,0|2,0,0]=4 182 B6R1.11 CC(N)C1CC1 4088031 [1,0,0,1,0,0|2,0,0]=4 183 B6R1.1 C1CCONC1 4013260 [1,0,0,1,0,0|1,0,0]=3 184 B6R1.6 NCC1CCC1 4003518 [1,0,0,1,0,0|1,0,0]=3 185 B6R1.7 CCC1(N)CC1 4021535 [1,0,0,1,0,0|1,0,0]=3 186 B8R1.1 CCC1COC(=O)N1 4044759 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.1 CCN1CCC(N)C1 4035338 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.1 CN1CCC(CBr)C1 4044199 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.1 CN1CCC(CCl)C1 4018173 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.1 CN1CCC(CN)C1 4003800 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.1 CN1CCC(CO)C1 4003799 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.4 CC1CN(C)CCN1 4050805 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.4 CN1CCCC(N)C1 4004054 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 4056916 [0,1,0,1,0,0|1,0,0]=3 199 B8R1.34 O=C(O)CC1CCC1 4028895 [0,1,0,1,0,0|0,0,1]=3 200 B8R1.42 CC(=O)CC1(C)CC1 4002837 [0,1,0,1,0,0|0,0,2]=4 201 B8R1.42 CC(C)CC1(N)CC1 4021537 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,1,0,1,0,0|0,0,2]=4 203 B8R1.51 CC1CCC(C)(C)N1 4108245 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.51 CC1CNC(C)(C)C1 4044904 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.51 O=S1(=O)CCC(O)C1 4030368 [0,1,0,1,0,0|2,0,0]=4 206 B8R1.2 BrCC1CCCOC1 4046211 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.2 C=CC1CCNCC1 4062882 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.2 CCC1CCCNC1 4018855 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.2 CCC1CCNCC1 4004580 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.2 CCC1CCNCC1 4110368 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.2 CCC1CNCCN1 4029768 [0,1,0,1,0,0|1,0,0]=3 212 B8R1.2 CCC1CNCCO1 4018983 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.2 CCC1COCCN1 4021665 [0,1,0,1,0,0|0,0,0]=2 214 B8R1.2 CCC1COCCN1 4087890 [0,1,0,1,0,0|0,0,0]=2 215 B8R1.2 CNC1CCOCC1 4003545 [0,1,0,1,0,0|0,0,0]=2 216 B8R1.2 CNC1CCSCC1 4036158 [0,1,0,1,0,0|0,1,0]=3 217 B8R1.2 COC1CCCNC1 4002969 [0,1,0,1,0,0|2,0,0]=4 218 B8R1.2 COC1CCCNC1 4087774 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.2 COC1CCCNC1 4088818 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.2 COC1CCNCC1 4002968 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.2 COC1CCNCC1 4088815 [0,1,0,1,0,0|1,0,0]=3 222 B8R1.2 ClCC1COCCO1 4015243 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.2 N#CC1CCNCC1 4009819 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.2 N#CC1CCNCC1 4088035 [0,1,0,1,0,0|1,0,1]=4 225 B8R1.2 N#CC1CCOCC1 4026815 [0,1,0,1,0,0|0,0,1]=3 226 B8R1.2 N#CC1COCCO1 4063365 [0,1,0,1,0,0|1,0,1]=4 227 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.2 NCC1CCCOC1 4014028 [0,1,0,1,0,0|1,0,0]=3 229 B8R1.2 NCC1CCCOC1 4087864 [0,1,0,1,0,0|1,0,0]=3 230 B8R1.2 NCC1CCOCC1 4004281 [0,1,0,1,0,0|0,0,0]=2 231 B8R1.2 NCC1CCOCC1 4089498 [0,1,0,1,0,0|0,0,0]=2 232 B8R1.2 NCC1COCCO1 4101741 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.2 OCC1CCCOC1 4027028 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.2 OCC1CCOCC1 4027097 [0,1,0,1,0,0|0,0,0]=2 235 B8R1.2 OCC1COCCN1 4027853 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.2 OCC1COCCO1 4015242 [0,1,0,1,0,0|1,0,0]=3 237 B8R1.3 CN1CCC(N)CC1 4003460 [0,1,0,1,0,0|2,0,0]=4 238 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,1,0,0|1,0,1]=4 239 B8R1.5 CC1CNCCN1C 4002085 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.5 CC1CNCCN1C 4089459 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,1,0,1,0,0|2,0,0]=4 243 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.5 N[C@@H]1COCC[C@@H]1O 4091253 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.5 N[C@@H]1COCC[C@H]1O 4080370 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.5 N[C@H]1CCOC[C@@H]1O 4051506 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.5 O[C@H]1CCNC[C@H]1O 4034770 [0,1,0,1,0,0|2,0,0]=4 250 B8R1.22 CC1CCCCCN1 4043402 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.22 CC1CCCNCC1 4041336 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.22 OC1CCCNCC1 4030734 [0,1,0,1,0,0|2,0,0]=4 253 B8R1.41 COCCC1(N)CC1 4021538 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.50 N[C@@H]1CC[C@@H](O)[C@@H]1O 4059624 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.50 N[C@@H]1CC[C@@H](O)[C@H]1O 4058999 [0,1,0,1,0,0|1,0,0]=3 256 B8R1.52 CC1(C#N)CCCO1 4027426 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.52 CC1(CO)CCCN1 4040826 [0,1,0,1,0,0|2,0,0]=4 258 B8R1.52 CCC1(N)CCCC1 4017676 [0,1,0,1,0,0|1,0,0]=3 259 B8R1.7 CC(=O)C1CCCC1 4031395 [0,1,0,1,0,0|1,0,1]=4 260 B8R1.7 CC(N)C1CCCC1 4040740 [0,1,0,1,0,0|1,0,0]=3 261 B8R1.7 N=C(N)C1CCOC1 4108969 [0,1,0,1,0,0|1,0,1]=4 262 B8R1.19 CC1CCNC1(C)C 4044856 [0,1,0,1,0,0|1,0,0]=3 263 B8R1.23 CC(C)N1CC(O)C1 4108213 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,1,0,1,0,0|1,0,1]=4 265 B8R1.27 FC1(F)CC1CCBr 4038437 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.27 OCCC1CC1(F)F 4038070 [0,1,0,1,0,0|1,0,0]=3 267 B8R1.6 NCC[C@H]1C[C@@H](O)C1 4078254 [0,1,0,1,0,0|0,0,0]=2 268 B8R1.8 BrCCC1CCOC1 4038663 [0,1,0,1,0,0|0,0,0]=2 269 B8R1.8 CCCC1CCNC1 4018767 [0,1,0,1,0,0|1,0,0]=3 270 B8R1.8 CCNC1CCCC1 4024871 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.8 CCOC1CCNC1 4041020 [0,1,0,1,0,0|1,0,0]=3 272 B8R1.8 CNCC1CCCC1 4043685 [0,1,0,1,0,0|1,0,0]=3 273 B8R1.8 CNCC1CCCN1 4111536 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.8 CNCC1CCCO1 4018249 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.8 CNCC1CCOC1 4019736 [0,1,0,1,0,0|0,0,0]=2 276 B8R1.8 COCC1CCNC1 4009705 [0,1,0,1,0,0|1,0,0]=3 277 B8R1.8 N#CCC1CCOC1 4036933 [0,1,0,1,0,0|0,0,1]=3 278 B8R1.8 NCCC1CCCC1 4015075 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.8 NCCC1CCCC1 4087871 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.8 NCCC1CCOC1 4037193 [0,1,0,1,0,0|0,0,0]=2 281 B8R1.8 OCCC1CCCN1 4019404 [0,1,0,1,0,0|0,0,0]=2 282 B8R1.8 OCCC1CCOC1 4037633 [0,1,0,1,0,0|0,0,0]=2 283 B8R1.8 OCCN1CCC=N1 4039918 [0,1,0,1,0,0|1,0,1]=4 284 B8R1.11 CCC1CCNC1=O 4035898 [0,1,0,1,0,0|1,0,1]=4 285 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [0,1,0,1,0,0|1,0,0]=3 286 B8R1.11 CN1CCCC1CCl 4041434 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.11 CN1CCCC1CN 4111535 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.11 CN[C@H]1COC[C@@H]1O 4033800 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.11 CO[C@@H]1CCC[C@H]1N 4054968 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.11 CO[C@@H]1COC[C@@H]1N 4077424 [0,1,0,1,0,0|1,0,0]=3 291 B8R1.11 CO[C@H]1CNC[C@@H]1O 4033113 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.11 CO[C@H]1COC[C@@H]1N 4031140 [0,1,0,1,0,0|1,0,0]=3 293 B8R1.11 OC[C@H]1CNC[C@@H]1O 4037529 [0,1,0,1,0,0|1,0,0]=3 294 B8R1.66 CNCC1(C)COC1 4003585 [0,1,0,1,0,0|2,0,0]=4 295 B8R1.72 CC1(C)CCCNC1 4029954 [0,1,0,1,0,0|2,0,0]=4 296 B8R1.72 CC1(C)CCNCC1 4023814 [0,1,0,1,0,0|1,0,0]=3 297 B8R1.72 CC1(N)CCCCC1 4017356 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.72 CC1(O)CCCNC1 4016060 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.82 CNC1(COC)CC1 4028295 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.82 CNCC1(CO)CC1 4025870 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.82 COCC1(CN)CC1 4026725 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.60 CCC1(CN)CCC1 4026727 [0,1,0,1,0,0|1,0,0]=3 303 B8R1.60 NCC1(CO)CCC1 4020261 [0,1,0,1,0,0|2,0,0]=4 304 B8R2.34 C1CC2CC1CN2 4100721 [0,0,0,2,0,0|1,0,0]=3 305 B8R2.34 C1CC2CCC1N2 4021192 [0,0,0,2,0,0|2,0,0]=4 306 B8R2.55 C1CC12CNOC2 4040206 [0,0,0,2,0,0|1,0,0]=3 307 B8R2.2 CC12CNCC1C2 4043501 [0,0,0,2,0,0|2,0,0]=4 308 B8R2.41 NC1(C2CC2)CC1 4027140 [0,0,0,2,0,0|2,0,0]=4