0 B7R1.3 BrC1CCCOC1 4032123 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.3 CC1CNCCO1 4019021 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 C[C@@H]1COCCN1 4037047 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 NC1CCCOC1 4018204 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 O=C1CCCSC1 4021743 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.3 O=C1CNCCN1 4102110 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.3 O=C1NCCCO1 4035958 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.1 C1=CCONC1 4044151 [1,0,0,0,0,0|1,0,2]=4 10 B6R1.1 C1CCONC1 4013260 [1,0,0,0,0,0|1,0,0]=2 11 B8R1.2 BrCC1CCCOC1 4046211 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.2 C=CC1CCCNC1 4108333 [0,1,0,0,0,0|2,0,1]=4 13 B8R1.2 C=CC1CCNCC1 4062882 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.2 CCC1CCCNC1 4018855 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.2 CCC1CCNCC1 4004580 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.2 CCC1CCNCC1 4110368 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.2 CCC1CNCCN1 4029768 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.2 CCC1CNCCO1 4018983 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 CCC1COCCN1 4021665 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.2 CCC1COCCN1 4087890 [0,1,0,0,0,0|1,0,0]=2 21 B8R1.2 CNC1CCOCC1 4003545 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.2 CNC1CCSCC1 4036158 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 COC1CCCNC1 4002969 [0,1,0,0,0,0|2,0,0]=3 24 B8R1.2 COC1CCCNC1 4087774 [0,1,0,0,0,0|2,0,0]=3 25 B8R1.2 COC1CCCNC1 4088818 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 COC1CCNCC1 4002968 [0,1,0,0,0,0|2,0,0]=3 27 B8R1.2 COC1CCNCC1 4088815 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.2 ClCC1COCCO1 4015243 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.2 N#CC1CCCNC1 4009818 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.2 N#CC1CCNCC1 4009819 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.2 N#CC1CCNCC1 4088035 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.2 N#CC1CCOCC1 4026815 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.2 N#CC1COCCO1 4063365 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,0,0,0|1,0,1]=3 35 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.2 NCC1CCCOC1 4014028 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.2 NCC1CCCOC1 4087864 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 NCC1CCOCC1 4004281 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.2 NCC1CCOCC1 4089498 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 NCC1COCCO1 4101741 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 OCC1CCCOC1 4027028 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 OCC1CCOCC1 4027097 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 OCC1COCCN1 4027853 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.2 OCC1COCCO1 4015242 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.3 CN1CCC(N)CC1 4003460 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,1,0,0,0,0|1,0,1]=3 47 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,1,0,0,0,0|1,0,1]=3 48 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.3 O=C1NCC(O)CN1 4044966 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,0,0,0|0,0,1]=2 51 B8R1.4 CC1CN(C)CCN1 4050805 [0,1,0,0,0,0|1,0,0]=2 52 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,0,0,0|1,0,1]=3 53 B8R1.4 CN1CCCC(N)C1 4004054 [0,1,0,0,0,0|2,0,0]=3 54 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,0,0,0|1,0,1]=3 56 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,0,0,0|1,0,1]=3 58 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.5 CC1CNCCN1C 4002085 [0,1,0,0,0,0|1,0,0]=2 61 B8R1.5 CC1CNCCN1C 4089459 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,0,0,0|1,0,1]=3 63 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,0,0,0|2,0,1]=4 64 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,0,0,0|1,0,1]=3 72 B8R1.5 N[C@@H]1COCC[C@@H]1O 4091253 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.5 N[C@@H]1COCC[C@H]1O 4080370 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.5 N[C@H]1CCOC[C@@H]1O 4051506 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.5 O[C@H]1CCNC[C@H]1O 4034770 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.72 CC1(C)CCCNC1 4029954 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.72 CC1(C)CCNCC1 4023814 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.72 CC1(C)CNCCO1 4017656 [0,1,0,0,0,0|2,0,0]=3 79 B8R1.72 CC1(N)CCCCC1 4017356 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.72 CC1(O)CCCNC1 4016060 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.1 CCC(C)CCN 4015078 [0,0,1,0,0,0|2,0,0]=3 82 B6R0.1 CCCC(=O)NN 3002586 [0,0,1,0,0,0|2,0,1]=4 83 B6R0.1 CCCC(N)CC 4028240 [0,0,1,0,0,0|2,0,0]=3 84 B6R0.1 CCCC(N)CC 4088911 [0,0,1,0,0,0|2,0,0]=3 85 B6R0.1 CCNC(=O)CBr 4023688 [0,0,1,0,0,0|2,0,1]=4 86 B6R0.1 CCNC(C)CC 4024881 [0,0,1,0,0,0|0,0,0]=1 87 B6R0.1 CCNC(C)CC 4089770 [0,0,1,0,0,0|0,0,0]=1 88 B6R0.1 CCNC(C)CO 4027506 [0,0,1,0,0,0|1,0,0]=2 89 B6R0.1 CCOC(C)CN 4029821 [0,0,1,0,0,0|2,0,0]=3 90 B6R0.1 CNC(=O)CCCl 4027989 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.1 CNC(=O)CCO 4035059 [0,0,1,0,0,0|2,0,1]=4 92 B6R0.1 CNC(C)CCO 4027121 [0,0,1,0,0,0|1,0,0]=2 93 B6R0.1 CNCC(=O)NC 4033340 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.1 CNCC(C)OC 4031677 [0,0,1,0,0,0|2,0,0]=3 95 B6R0.1 COC(C)CCN 4043534 [0,0,1,0,0,0|2,0,0]=3 96 B6R0.4 C=CCNC(C)C 4026873 [0,0,1,0,0,0|0,0,2]=3 97 B6R0.4 C=CCNC(C)C 4090944 [0,0,1,0,0,0|0,0,2]=3 98 B6R0.4 CC(C)SCCN 4012669 [0,0,1,0,0,0|2,0,0]=3 99 B6R0.4 CC(C)SCCN 4089980 [0,0,1,0,0,0|2,0,0]=3 100 B6R0.4 CCCCC(=N)N 4012905 [0,0,1,0,0,0|1,0,1]=3 101 B6R0.4 CCOCC(=N)N 4018504 [0,0,1,0,0,0|2,0,1]=4 102 B6R0.4 CCOCC(=N)N 4088124 [0,0,1,0,0,0|2,0,1]=4 103 B6R0.4 CNCCC(N)=O 4029061 [0,0,1,0,0,0|2,0,1]=4 104 B6R0.4 COCCC(C)=O 4022132 [0,0,1,0,0,0|2,0,1]=4 105 B6R0.4 CSCCC(=N)N 4042665 [0,0,1,0,0,0|2,0,1]=4 106 B6R0.4 NC(=O)CCCCl 4028442 [0,0,1,0,0,0|2,0,1]=4 107 B6R0.6 C=CCCCCN 4067494 [0,0,1,0,0,0|0,0,2]=3 108 B6R0.6 C=CCNCCC 4031693 [0,0,1,0,0,0|2,0,1]=4 109 B6R0.6 CCCSCCN 4033597 [0,0,1,0,0,0|1,0,0]=2 110 B6R0.6 CCCSCCN 4089004 [0,0,1,0,0,0|1,0,0]=2 111 B6R0.6 CCOCCNC 4030249 [0,0,1,0,0,0|2,0,0]=3 112 B6R0.6 CNCCCOC 4021520 [0,0,1,0,0,0|3,0,0]=4 113 B6R0.6 FCCCCCBr 4041608 [0,0,1,0,0,0|2,0,0]=3 114 B8R2.2 CC12CNCC1C2 4043501 [0,0,0,1,0,0|2,0,0]=3 115 B8R2.34 C1=CC2CC1CN2 4100720 [0,0,0,1,0,0|0,0,2]=3 116 B8R2.34 C1CC2CC1CN2 4100721 [0,0,0,1,0,0|0,0,0]=1 117 B8R2.34 C1CC2CCC1N2 4021192 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 CC1CNOC1 4040895 [0,0,0,0,1,0|2,0,0]=3 119 B6R1.2 NC1CCOC1 4003522 [0,0,0,0,1,0|2,0,0]=3 120 B6R1.2 OC1CNOC1 4044152 [0,0,0,0,1,0|3,0,0]=4 121 B8R1.22 CC1CCCCCN1 4043402 [0,0,0,0,0,1|0,0,0]=1 122 B8R1.22 CC1CCCNCC1 4041336 [0,0,0,0,0,1|1,0,0]=2 123 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,0,0,1|1,0,1]=3 124 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,0,0,1|1,0,1]=3 125 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,0,0,1|1,0,1]=3 126 B8R1.22 OC1CCCNCC1 4030734 [0,0,0,0,0,1|2,0,0]=3 127 B5R0.1 CC(N)CCO 4027026 [1,0,1,0,0,0|1,0,0]=3 128 B5R0.1 CNCC(C)O 4035012 [1,0,1,0,0,0|2,0,0]=4 129 B5R0.2 C#CCCCN 4063954 [1,0,1,0,0,0|0,0,2]=4 130 B5R0.2 C=CCCCN 4075680 [1,0,1,0,0,0|0,0,2]=4 131 B5R0.2 C=CCCNC 4110731 [1,0,1,0,0,0|0,0,2]=4 132 B5R0.2 CNCCSC 4036386 [1,0,1,0,0,0|1,0,0]=3 133 B5R0.2 COCCNN 4108243 [1,0,1,0,0,0|2,0,0]=4 134 B5R0.2 NNCCCO 4085333 [1,0,1,0,0,0|2,0,0]=4 135 B5R0.3 CC(CN)CO 4036254 [1,0,1,0,0,0|2,0,0]=4 136 B5R0.3 CC[C@@H](O)CN 4036900 [1,0,1,0,0,0|2,0,0]=4 137 B5R0.3 CNC(C)CO 4028640 [1,0,1,0,0,0|1,0,0]=3 138 B5R0.3 COC(C)CN 4031070 [1,0,1,0,0,0|2,0,0]=4 139 B5R0.3 COC(C)CO 4045600 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,1,0,0,0|1,0,1]=4 141 B7R0.2 CNC(C)CC(=O)O 4035495 [0,1,1,0,0,0|1,0,1]=4 142 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,1,0,0,0|0,0,0]=2 143 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,1,0,0,0|0,0,0]=2 144 B7R0.2 CNC(C)CC(N)=O 4043924 [0,1,1,0,0,0|1,0,1]=4 145 B7R0.3 CCC(=O)NCCN 4110359 [0,1,1,0,0,0|1,0,1]=4 146 B7R0.3 CCCNC(C)CO 4027950 [0,1,1,0,0,0|1,0,0]=3 147 B7R0.3 CCCOC(C)CN 4031060 [0,1,1,0,0,0|2,0,0]=4 148 B7R0.3 CCN(C)CCCCl 4032711 [0,1,1,0,0,0|2,0,0]=4 149 B7R0.3 CCN(C)CCCCl 4090852 [0,1,1,0,0,0|2,0,0]=4 150 B7R0.3 CCN(C)CCCO 4027001 [0,1,1,0,0,0|2,0,0]=4 151 B7R0.3 CNC(=O)CCCN 4030090 [0,1,1,0,0,0|1,0,1]=4 152 B7R0.3 CNCCC(=O)NC 4030744 [0,1,1,0,0,0|1,0,1]=4 153 B7R0.5 CC(CCN)N(C)C 4026896 [0,1,1,0,0,0|1,0,0]=3 154 B7R0.5 CC(CCO)N(C)C 4027250 [0,1,1,0,0,0|1,0,0]=3 155 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,1,1,0,0,0|1,0,1]=4 156 B7R0.5 CCNC(C)C(N)=O 4030069 [0,1,1,0,0,0|1,0,1]=4 157 B7R0.5 CCNC(C)C(N)=O 4089759 [0,1,1,0,0,0|1,0,1]=4 158 B7R0.7 CCCC(C)NCC 4024861 [0,1,1,0,0,0|0,0,0]=2 159 B7R0.7 CCNC(=O)CCCl 4027744 [0,1,1,0,0,0|1,0,1]=4 160 B7R0.7 CCNC(C)CCO 4027124 [0,1,1,0,0,0|0,0,0]=2 161 B7R0.7 CCOC(C)CNC 4030660 [0,1,1,0,0,0|1,0,0]=3 162 B7R0.7 CNCC(O)COC 4035032 [0,1,1,0,0,0|2,0,0]=4 163 B7R0.10 CCC(N)C(=O)NC 4033837 [0,1,1,0,0,0|1,0,1]=4 164 B7R0.10 CCN(C)C(C)CO 4027973 [0,1,1,0,0,0|1,0,0]=3 165 B7R0.10 CNC(=O)C(C)NC 4034384 [0,1,1,0,0,0|1,0,1]=4 166 B7R0.10 CNC(C)C(=O)OC 4044238 [0,1,1,0,0,0|1,0,1]=4 167 B7R0.11 CCNC(C)(C)CO 4029235 [0,1,1,0,0,0|1,0,0]=3 168 B7R0.11 CCNC(C)(C)CO 4087910 [0,1,1,0,0,0|1,0,0]=3 169 B7R0.11 CNC(C)(C)COC 4027390 [0,1,1,0,0,0|1,0,0]=3 170 B7R0.11 COC(C)(C)CCN 4021563 [0,1,1,0,0,0|2,0,0]=4 171 B7R0.12 CCOC(CC)CN 4031082 [0,1,1,0,0,0|1,0,0]=3 172 B7R0.12 CCOC(CC)CN 4091080 [0,1,1,0,0,0|1,0,0]=3 173 B7R0.4 C=CCNCC(C)C 4029119 [0,1,1,0,0,0|0,0,2]=4 174 B7R0.4 CC(=O)NCCCO 4032317 [0,1,1,0,0,0|1,0,1]=4 175 B7R0.4 CC(C)CNCCO 4029069 [0,1,1,0,0,0|1,0,0]=3 176 B7R0.4 CC(C)NCCCO 4088008 [0,1,1,0,0,0|0,0,0]=2 177 B7R0.4 CC(C)NCCCO 5116284 [0,1,1,0,0,0|0,0,0]=2 178 B7R0.4 CC(C)OCCCO 4034289 [0,1,1,0,0,0|1,0,0]=3 179 B7R0.4 CCCCCC(=N)N 4012907 [0,1,1,0,0,0|1,0,1]=4 180 B7R0.4 CCCCCC(=N)N 4088605 [0,1,1,0,0,0|1,0,1]=4 181 B7R0.4 CCCCNC(C)C 4024831 [0,1,1,0,0,0|0,0,0]=2 182 B7R0.6 CC(C)CCC(=N)N 4012910 [0,1,1,0,0,0|1,0,1]=4 183 B7R0.6 CC(C)CCC(=N)N 4091144 [0,1,1,0,0,0|1,0,1]=4 184 B7R0.6 CC(C)CNC(C)C 4028720 [0,1,1,0,0,0|0,0,0]=2 185 B7R0.6 CC(C)CNC(C)C 4090247 [0,1,1,0,0,0|0,0,0]=2 186 B7R0.6 CC(C)NCC(=O)O 4028411 [0,1,1,0,0,0|1,0,1]=4 187 B7R0.8 CC(C)(C)CCCO 4040977 [0,1,1,0,0,0|2,0,0]=4 188 B7R0.8 CC(C)(C)SCCN 4028606 [0,1,1,0,0,0|2,0,0]=4 189 B7R0.8 CCNCC(C)(C)C 4017478 [0,1,1,0,0,0|2,0,0]=4 190 B7R0.8 CCOCC(C)(C)N 4026868 [0,1,1,0,0,0|1,0,0]=3 191 B7R0.8 CNCCC(C)(C)O 4021555 [0,1,1,0,0,0|2,0,0]=4 192 B7R1.1 BrCC1CCOC1 4037584 [0,1,0,0,1,0|1,0,0]=3 193 B7R1.1 C=CC1CCNC1 4051562 [0,1,0,0,1,0|1,0,1]=4 194 B7R1.1 CCC1C=CCN1 4030606 [0,1,0,0,1,0|0,0,2]=4 195 B7R1.1 CCC1CCNC1 4018760 [0,1,0,0,1,0|1,0,0]=3 196 B7R1.1 COC1CCNC1 4029717 [0,1,0,0,1,0|1,0,0]=3 197 B7R1.1 N#CC1CCOC1 4036887 [0,1,0,0,1,0|1,0,1]=4 198 B7R1.1 NCC1CCCC1 4018103 [0,1,0,0,1,0|0,0,0]=2 199 B7R1.1 NCC1CCCC1 4110554 [0,1,0,0,1,0|0,0,0]=2 200 B7R1.1 NCC1CCOC1 4037969 [0,1,0,0,1,0|1,0,0]=3 201 B7R1.1 NNC1CCOC1 4055519 [0,1,0,0,1,0|2,0,0]=4 202 B7R1.1 OCC1C=CCN1 4029232 [0,1,0,0,1,0|0,0,2]=4 203 B7R1.1 OCC1CCNC1 4003674 [0,1,0,0,1,0|1,0,0]=3 204 B7R1.2 CC1CNC(=O)C1 4026755 [0,1,0,0,1,0|1,0,1]=4 205 B7R1.2 CC1COC(=O)N1 4045335 [0,1,0,0,1,0|1,0,1]=4 206 B7R1.2 CN1CCC(N)C1 4035974 [0,1,0,0,1,0|1,0,0]=3 207 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,1,0,0,1,0|1,0,0]=3 208 B7R1.4 NC1CCNC1=O 4110613 [0,1,0,0,1,0|1,0,1]=4 209 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,1,0,0,1,0|2,0,0]=4 210 B7R1.4 O[C@@H]1CNC[C@H]1F 4068804 [0,1,0,0,1,0|2,0,0]=4 211 B7R1.4 O[C@@H]1CNC[C@H]1O 4034532 [0,1,0,0,1,0|2,0,0]=4 212 B7R1.14 CC1(C)CCCN1 4020218 [0,1,0,0,1,0|0,0,0]=2 213 B7R1.14 CC1(C)CCNC1 4018853 [0,1,0,0,1,0|1,0,0]=3 214 B7R1.14 CC1(N)CCCC1 4017355 [0,1,0,0,1,0|0,0,0]=2 215 B9R1.5 CN1CCNCCC1=O 4036421 [0,1,0,0,0,1|1,0,1]=4 216 B9R1.5 N[C@@H]1CCCCC[C@H]1O 4049315 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,0,0,1|0,0,0]=2 218 B9R1.48 CC1CN(C)CCCN1 4017933 [0,1,0,0,0,1|0,0,0]=2 219 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,0,0,1|1,0,1]=4 220 B9R1.49 CC1CNC(=O)CCN1 4017913 [0,1,0,0,0,1|0,0,1]=3 221 B9R1.49 CN1CCCC(N)CC1 4039072 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.89 BrCC1COCCOC1 4038340 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.89 CCC1CCCNCC1 4042576 [0,1,0,0,0,1|1,0,0]=3 224 B9R1.89 CCN1CCCNCC1 4013095 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.89 CCN1CCCNCC1 4089876 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.89 CNC1CCCCCC1 4027537 [0,1,0,0,0,1|1,0,0]=3 227 B9R1.89 OCC1CCCCCN1 5510936 [0,1,0,0,0,1|0,0,0]=2 228 B9R1.89 OCC1CNCCOC1 4110356 [0,1,0,0,0,1|1,0,0]=3 229 B9R1.89 OCC1COCCOC1 4019740 [0,1,0,0,0,1|2,0,0]=4 230 B9R1.148 CC1(N)CCCCCC1 4025641 [0,1,0,0,0,1|1,0,0]=3 231 B9R1.148 CC1(O)CCCNCC1 4037757 [0,1,0,0,0,1|1,0,0]=3 232 B9R1.1 CC1=CCC(CO)CC1 4031964 [0,2,0,0,0,0|1,0,1]=4 233 B9R1.1 CN1CCC(C=O)CC1 4017912 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.1 CN1CCC(CBr)CC1 4039885 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.1 CN1CCC(CCl)CC1 4044401 [0,2,0,0,0,0|2,0,0]=4 236 B9R1.1 CN1CCC(CN)CC1 4103003 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.1 CN1CCC(CO)CC1 4002191 [0,2,0,0,0,0|2,0,0]=4 238 B9R1.1 CN1CCC(NN)CC1 4015003 [0,2,0,0,0,0|2,0,0]=4 239 B9R1.1 CO[C@H]1CC[C@H](N)CC1 4048210 [0,2,0,0,0,0|1,0,0]=3 240 B9R1.2 C=CC1CCCN(C)C1 4064832 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.2 CCC1COCC(=O)N1 4027565 [0,2,0,0,0,0|1,0,1]=4 242 B9R1.2 CCN1CCCC(N)C1 4028708 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.2 CC[C@@H]1C[C@H](O)CCN1 4073239 [0,2,0,0,0,0|0,0,0]=2 244 B9R1.2 CC[C@H]1CNC[C@@H](C)O1 4109689 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.2 CN1CCCC(CBr)C1 4041076 [0,2,0,0,0,0|2,0,0]=4 246 B9R1.2 CN1CCCC(CN)C1 4103006 [0,2,0,0,0,0|2,0,0]=4 247 B9R1.2 CN1CCNC(CO)C1 4036595 [0,2,0,0,0,0|1,0,0]=3 248 B9R1.2 CN1CCOC(CN)C1 4029078 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.6 CC(=O)C1CCCNC1 4005879 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.6 CC(=O)C1CCCNC1 4087824 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.6 CC(C)C1CCCNC1 4016074 [0,2,0,0,0,0|2,0,0]=4 252 B9R1.6 CC(C)C1CCNCC1 4016223 [0,2,0,0,0,0|2,0,0]=4 253 B9R1.6 CC(C)C1CNCCO1 4053190 [0,2,0,0,0,0|2,0,0]=4 254 B9R1.6 CC(N)C1=CCCCC1 4019757 [0,2,0,0,0,0|1,0,1]=4 255 B9R1.6 CC(N)C1CCCCC1 4019758 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.6 CC(N)C1CCCCC1 4087887 [0,2,0,0,0,0|1,0,0]=3 257 B9R1.6 CC(O)C1CCNCC1 4027058 [0,2,0,0,0,0|2,0,0]=4 258 B9R1.6 CN(C)C1CCCNC1 4018212 [0,2,0,0,0,0|2,0,0]=4 259 B9R1.6 CN(C)C1CCNCC1 4018153 [0,2,0,0,0,0|2,0,0]=4 260 B9R1.6 O=C(O)C1CCCCO1 4014945 [0,2,0,0,0,0|1,0,1]=4 261 B9R1.6 O=C(O)C1CCSCN1 4027710 [0,2,0,0,0,0|1,0,1]=4 262 B9R1.8 BrCCC1CCCCN1 4027974 [0,2,0,0,0,0|0,0,0]=2 263 B9R1.8 BrCCC1CCCCN1 4090143 [0,2,0,0,0,0|0,0,0]=2 264 B9R1.8 BrCCC1COCCO1 4071604 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.8 CCCC1COCCN1 4021666 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.8 CCNC1CCOCC1 4087925 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.8 CCOC1CCNCC1 4031332 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.8 CCOC1CCNCC1 4088135 [0,2,0,0,0,0|2,0,0]=4 269 B9R1.8 CNCC1CCCCC1 4028444 [0,2,0,0,0,0|1,0,0]=3 270 B9R1.8 CNCC1CCCCO1 4003543 [0,2,0,0,0,0|1,0,0]=3 271 B9R1.8 CNCC1CCCCO1 4088030 [0,2,0,0,0,0|1,0,0]=3 272 B9R1.8 CNCC1CCOCC1 4002168 [0,2,0,0,0,0|2,0,0]=4 273 B9R1.8 CNCC1COCCO1 4101742 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.8 COCC1CCCCN1 4002970 [0,2,0,0,0,0|0,0,0]=2 275 B9R1.8 COCC1CCCNC1 4002971 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.8 COCC1CCNCC1 4002972 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.8 CSCC1CCCNC1 4043531 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.8 CSCC1CCNCC1 4043017 [0,2,0,0,0,0|2,0,0]=4 279 B9R1.8 N#CCC1CCCCN1 4048591 [0,2,0,0,0,0|0,0,0]=2 280 B9R1.8 N#CCC1CCCNC1 4091203 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.8 N#CCC1CCCOC1 4036196 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.8 N#CCC1CCNCC1 4045638 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.8 NCCC1CCCCC1 4005014 [0,2,0,0,0,0|1,0,0]=3 284 B9R1.8 NCCC1CCCCC1 4089549 [0,2,0,0,0,0|1,0,0]=3 285 B9R1.8 NCCC1CCCCO1 4002169 [0,2,0,0,0,0|1,0,0]=3 286 B9R1.8 NCCC1CCCCO1 4085477 [0,2,0,0,0,0|1,0,0]=3 287 B9R1.8 NCCC1CCCOC1 4036334 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.8 NNCC1COCCO1 4040455 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.8 OCCC1CCCCO1 4016654 [0,2,0,0,0,0|1,0,0]=3 290 B9R1.8 OCCC1CNCCO1 4020258 [0,2,0,0,0,0|2,0,0]=4 291 B9R1.8 OCCC1COCCO1 4016658 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.15 CCC1CNCCN1C 4016224 [0,2,0,0,0,0|1,0,0]=3 293 B9R1.15 CCC1NCCNC1=O 4004453 [0,2,0,0,0,0|1,0,1]=4 294 B9R1.15 CN1CCCCC1CBr 4044778 [0,2,0,0,0,0|0,0,0]=2 295 B9R1.15 CN1CCCCC1CCl 4033657 [0,2,0,0,0,0|0,0,0]=2 296 B9R1.15 CN1CCCCC1CN 4088041 [0,2,0,0,0,0|0,0,0]=2 297 B9R1.15 CN1CCCCC1CN 4100051 [0,2,0,0,0,0|0,0,0]=2 298 B9R1.15 CN1CCNCC1CO 4036597 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.15 CO[C@@H]1CCOC[C@H]1N 4091254 [0,2,0,0,0,0|2,0,0]=4 300 B9R1.15 CO[C@H]1CCOC[C@H]1N 4091335 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.15 CO[C@H]1COCC[C@@H]1N 4091340 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.15 NN[C@@H]1CCCC[C@H]1O 4108163 [0,2,0,0,0,0|2,0,0]=4 303 B9R1.15 OC[C@H]1CCNC[C@@H]1O 4038678 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.15 OC[C@H]1CCNC[C@H]1O 4037459 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.118 CC1(C#N)CCCNC1 4045507 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.118 CC1(C#N)CCNCC1 4045525 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.118 CC1(C=O)CCOCC1 4020982 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.118 CC1(CN)CCCCC1 4043142 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.118 CC1(CN)CCOCC1 4020985 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.118 CC1(CO)CCCNC1 4017648 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.118 CC1(CO)CCNCC1 4040917 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.118 CCC1(C)CCCNC1 4043267 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.118 CCC1(C)CCNCC1 4021540 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.118 CCC1(O)CCCNC1 4016061 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.118 N#CC1(N)CCCCC1 4036030 [0,2,0,0,0,0|1,0,1]=4 316 B9R1.118 NC1(CO)CCCCC1 4032526 [0,2,0,0,0,0|1,0,0]=3 317 B9R1.118 NCC1(O)CCOCC1 4099230 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.118 OCC1(O)CCCNC1 4037691 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.118 OCC1(O)CCNCC1 4036996 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.10 CC1(C)CCC(=O)NC1 4036246 [0,2,0,0,0,0|1,0,1]=4 321 B9R1.10 CC1(C)OCC(N)CO1 4085381 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.69 CN1CC[C@@H](O)[C@H](N)C1 4034773 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.69 C[C@@H]1C[C@@H](N)CCN1C 4079048 [0,2,0,0,0,0|0,0,0]=2 324 B9R1.3 CC1NCCN(C)C1=O 4005831 [0,2,0,0,0,0|1,0,1]=4 325 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,2,0,0,0,0|1,0,1]=4 326 B9R1.3 C[C@@H]1CNC[C@@H](C)N1C 4081552 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,2,0,0,0,0|1,0,1]=4 328 B9R1.66 CN1CCNC(C)(C)C1 4020230 [0,2,0,0,0,0|1,0,0]=3 329 B9R1.40 CC1(C)NCCNC1=O 4014693 [0,2,0,0,0,0|1,0,1]=4 330 B9R1.40 CN1CCNCC1(C)C 4027617 [0,2,0,0,0,0|1,0,0]=3 331 B7R1.6 CNCC1CCC1 4031455 [0,0,1,1,0,0|2,0,0]=4 332 B7R1.6 NCCC1CCC1 4036646 [0,0,1,1,0,0|2,0,0]=4 333 B7R1.21 CCCC1(N)CC1 4021536 [0,0,1,1,0,0|2,0,0]=4 334 B7R1.22 CCC(N)C1CC1 4044918 [0,0,1,1,0,0|2,0,0]=4 335 B7R1.7 CCCNC1CC1 4028302 [0,0,1,1,0,0|0,0,0]=2 336 B7R1.7 CCCNC1CC1 4110664 [0,0,1,1,0,0|0,0,0]=2 337 B7R1.7 CCNCC1CC1 4034470 [0,0,1,1,0,0|2,0,0]=4 338 B7R1.7 CCNCC1CC1 4110755 [0,0,1,1,0,0|2,0,0]=4 339 B7R1.20 CC(=O)CC1CC1 4002838 [0,0,1,1,0,0|1,0,1]=4 340 B7R1.23 CC1(C)CC1CN 4032113 [0,0,1,1,0,0|2,0,0]=4 341 B7R1.23 CC1(C)CC1CO 4033976 [0,0,1,1,0,0|2,0,0]=4 342 B9R2.7 N[C@@H]1C[C@H]2OCC[C@@H]12 4052897 [0,0,0,1,0,1|2,0,0]=4 343 B9R2.7 O[C@H]1C[C@H]2CNC[C@@H]12 4091281 [0,0,0,1,0,1|2,0,0]=4 344 B9R2.68 C1CN2CCC(C2)N1 4002274 [0,0,0,1,0,1|0,0,0]=2 345 B9R2.68 [C@H]12CCC[C@H](C1)NC2 4101829 [0,0,0,1,0,1|0,0,0]=2 346 B9R2.56 CCC12CNCC1C2 4036113 [0,1,0,1,0,0|2,0,0]=4 347 B9R2.56 CCC12CNCC1C2 4043342 [0,1,0,1,0,0|2,0,0]=4 348 B9R2.56 OC[C@]12CNC[C@H]1C2 4042320 [0,1,0,1,0,0|2,0,0]=4 349 B9R2.174 C1CCC2(CC2)NC1 4026343 [0,1,0,1,0,0|0,0,0]=2 350 B9R2.39 NC1CC2CCC1C2 4017975 [0,1,0,1,0,0|1,0,0]=3 351 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 4077747 [0,1,0,1,0,0|1,0,0]=3 352 B5R1.1 C1CNOC1 4013261 [1,0,0,0,1,0|1,0,0]=3 353 B5R1.2 CC1CCN1 4040985 [0,0,0,0,2,0|0,0,0]=2 354 B5R1.2 FC1CNC1 4108317 [0,0,0,0,2,0|2,0,0]=4 355 B5R1.2 OC1CCC1 4034696 [0,0,0,0,2,0|1,0,0]=3 356 B5R1.2 OC1CNC1 4002252 [0,0,0,0,2,0|2,0,0]=4 357 B5R1.2 OC1CSC1 4042896 [0,0,0,0,2,0|2,0,0]=4