0 B6R1.1 C1=CCONC1 4044151 [0,0,0,0,0,0|1,0,2]=3 1 B6R1.1 C1CCONC1 4013260 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 BrC1CCCOC1 4032123 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.3 CC1=CCNCC1 4036573 [0,1,0,0,0,0|0,0,2]=3 4 B7R1.3 CC1CNCCO1 4019021 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 C[C@@H]1COCCN1 4037047 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.3 C[C@H]1CNCCO1 4038541 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 NC1CCCOC1 4018204 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 O=C1CCCSC1 4021743 [0,1,0,0,0,0|1,0,1]=3 9 B7R1.3 O=C1CNCCN1 4102110 [0,1,0,0,0,0|1,0,1]=3 10 B7R1.3 O=C1NCCCO1 4035958 [0,1,0,0,0,0|1,0,1]=3 11 B5R0.2 C#CCCCBr 4079721 [0,0,1,0,0,0|1,0,2]=4 12 B5R0.2 C#CCCCN 4063954 [0,0,1,0,0,0|0,0,2]=3 13 B5R0.2 C=CCCCN 4075680 [0,0,1,0,0,0|0,0,2]=3 14 B5R0.2 C=CCCNC 4110731 [0,0,1,0,0,0|0,0,2]=3 15 B5R0.2 CNCCSC 4036386 [0,0,1,0,0,0|1,0,0]=2 16 B5R0.2 COCCNN 4108243 [0,0,1,0,0,0|2,0,0]=3 17 B5R0.2 NNCCCO 4085333 [0,0,1,0,0,0|2,0,0]=3 18 B5R1.1 C1CNOC1 4013261 [0,0,0,0,1,0|1,0,0]=2 19 B4R0.2 CCCNN 4085300 [1,0,1,0,0,0|1,0,0]=3 20 B6R0.1 C=CCC(O)CN 4080175 [0,1,1,0,0,0|0,0,2]=4 21 B6R0.1 CCC(C)CCN 4015078 [0,1,1,0,0,0|0,0,0]=2 22 B6R0.1 CCC(O)CNN 4030953 [0,1,1,0,0,0|1,0,0]=3 23 B6R0.1 CCCC(=O)NN 3002586 [0,1,1,0,0,0|1,0,1]=4 24 B6R0.1 CCCC(N)CC 4028240 [0,1,1,0,0,0|1,0,0]=3 25 B6R0.1 CCCC(N)CC 4088911 [0,1,1,0,0,0|1,0,0]=3 26 B6R0.1 CCNC(=O)CBr 4023688 [0,1,1,0,0,0|1,0,1]=4 27 B6R0.1 CCNC(C)CC 4024881 [0,1,1,0,0,0|0,0,0]=2 28 B6R0.1 CCNC(C)CC 4089770 [0,1,1,0,0,0|0,0,0]=2 29 B6R0.1 CCNC(C)CO 4027506 [0,1,1,0,0,0|1,0,0]=3 30 B6R0.1 CCOC(C)CN 4029821 [0,1,1,0,0,0|1,0,0]=3 31 B6R0.1 CNC(=O)CCCl 4027989 [0,1,1,0,0,0|1,0,1]=4 32 B6R0.1 CNC(=O)CCO 4035059 [0,1,1,0,0,0|1,0,1]=4 33 B6R0.1 CNC(C)CCO 4027121 [0,1,1,0,0,0|1,0,0]=3 34 B6R0.1 CNCC(=O)NC 4033340 [0,1,1,0,0,0|1,0,1]=4 35 B6R0.1 CNCC(C)OC 4031677 [0,1,1,0,0,0|1,0,0]=3 36 B6R0.1 COC(C)CCN 4043534 [0,1,1,0,0,0|1,0,0]=3 37 B6R0.1 COCC(N)CO 4030437 [0,1,1,0,0,0|2,0,0]=4 38 B6R0.1 COCC(O)CN 4001723 [0,1,1,0,0,0|1,0,0]=3 39 B6R0.4 C=CCNC(C)C 4026873 [0,1,1,0,0,0|0,0,2]=4 40 B6R0.4 C=CCNC(C)C 4090944 [0,1,1,0,0,0|0,0,2]=4 41 B6R0.4 CC(C)SCCN 4012669 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.4 CC(C)SCCN 4089980 [0,1,1,0,0,0|1,0,0]=3 43 B6R0.4 CCCCC(=N)N 4012905 [0,1,1,0,0,0|0,0,1]=3 44 B6R0.4 CCOCC(=N)N 4018504 [0,1,1,0,0,0|1,0,1]=4 45 B6R0.4 CCOCC(=N)N 4088124 [0,1,1,0,0,0|1,0,1]=4 46 B6R0.4 CNCCC(=O)O 4036102 [0,1,1,0,0,0|1,0,1]=4 47 B6R0.4 CNCCC(N)=O 4029061 [0,1,1,0,0,0|1,0,1]=4 48 B6R0.4 COCCC(C)=O 4022132 [0,1,1,0,0,0|1,0,1]=4 49 B6R0.4 CSCCC(=N)N 4042665 [0,1,1,0,0,0|1,0,1]=4 50 B6R0.4 NC(=O)CCCCl 4028442 [0,1,1,0,0,0|1,0,1]=4 51 B6R0.6 C=CCCCCN 4067494 [0,1,1,0,0,0|0,0,1]=3 52 B6R0.6 C=CCNCCC 4031693 [0,1,1,0,0,0|0,0,1]=3 53 B6R0.6 CCCSCCN 4033597 [0,1,1,0,0,0|0,0,0]=2 54 B6R0.6 CCCSCCN 4089004 [0,1,1,0,0,0|0,0,0]=2 55 B6R0.6 CCOCCNC 4030249 [0,1,1,0,0,0|0,0,0]=2 56 B6R0.6 CNCCCOC 4021520 [0,1,1,0,0,0|0,0,0]=2 57 B6R0.6 FCCCCCBr 4041608 [0,1,1,0,0,0|1,0,0]=3 58 B6R1.2 CC1CNOC1 4040895 [0,1,0,0,1,0|1,0,0]=3 59 B6R1.2 NC1CCOC1 4003522 [0,1,0,0,1,0|1,0,0]=3 60 B6R1.2 OC1CNOC1 4044152 [0,1,0,0,1,0|1,0,0]=3 61 B8R1.22 CC1CCCCCN1 4043402 [0,1,0,0,0,1|0,0,0]=2 62 B8R1.22 CC1CCCNCC1 4041336 [0,1,0,0,0,1|0,0,0]=2 63 B8R1.22 O=C1CCNCCN1 4131005 [0,1,0,0,0,1|0,0,1]=3 64 B8R1.22 O=C1CCSCCN1 4036022 [0,1,0,0,0,1|0,0,1]=3 65 B8R1.22 O=C1CNCCCN1 4015468 [0,1,0,0,0,1|0,0,1]=3 66 B8R1.22 O=C1CSCCSC1 4004797 [0,1,0,0,0,1|1,0,1]=4 67 B8R1.22 OC1CCCNCC1 4030734 [0,1,0,0,0,1|0,0,0]=2 68 B8R1.2 BrCC1CCCOC1 4046211 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.2 C=CC1CCCNC1 4108333 [0,2,0,0,0,0|0,0,0]=2 70 B8R1.2 C=CC1CCNCC1 4062882 [0,2,0,0,0,0|0,0,0]=2 71 B8R1.2 CCC1CCCNC1 4018855 [0,2,0,0,0,0|0,0,0]=2 72 B8R1.2 CCC1CCNCC1 4004580 [0,2,0,0,0,0|0,0,0]=2 73 B8R1.2 CCC1CCNCC1 4110368 [0,2,0,0,0,0|0,0,0]=2 74 B8R1.2 CCC1CNCCN1 4029768 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.2 CCC1CNCCO1 4018983 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.2 CCC1COCCN1 4021665 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.2 CCC1COCCN1 4087890 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.2 CNC1CCOCC1 4003545 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.2 CNC1CCSCC1 4036158 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.2 COC1CCCNC1 4002969 [0,2,0,0,0,0|0,0,0]=2 81 B8R1.2 COC1CCCNC1 4087774 [0,2,0,0,0,0|0,0,0]=2 82 B8R1.2 COC1CCCNC1 4088818 [0,2,0,0,0,0|0,0,0]=2 83 B8R1.2 COC1CCNCC1 4002968 [0,2,0,0,0,0|0,0,0]=2 84 B8R1.2 COC1CCNCC1 4088815 [0,2,0,0,0,0|0,0,0]=2 85 B8R1.2 ClCC1COCCO1 4015243 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.2 N#CC1CCCNC1 4009818 [0,2,0,0,0,0|0,0,0]=2 87 B8R1.2 N#CC1CCNCC1 4009819 [0,2,0,0,0,0|0,0,0]=2 88 B8R1.2 N#CC1CCNCC1 4088035 [0,2,0,0,0,0|0,0,0]=2 89 B8R1.2 N#CC1CCOCC1 4026815 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.2 N#CC1COCCO1 4063365 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.2 NCC1=CCCCC1 4019756 [0,2,0,0,0,0|1,0,1]=4 92 B8R1.2 NCC1CCCCO1 4087791 [0,2,0,0,0,0|1,0,0]=3 93 B8R1.2 NCC1CCCOC1 4014028 [0,2,0,0,0,0|1,0,0]=3 94 B8R1.2 NCC1CCCOC1 4087864 [0,2,0,0,0,0|1,0,0]=3 95 B8R1.2 NCC1CCOCC1 4004281 [0,2,0,0,0,0|1,0,0]=3 96 B8R1.2 NCC1CCOCC1 4089498 [0,2,0,0,0,0|1,0,0]=3 97 B8R1.2 NCC1COCCO1 4101741 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.2 OCC1CCCOC1 4027028 [0,2,0,0,0,0|1,0,0]=3 99 B8R1.2 OCC1CCOCC1 4027097 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.2 OCC1COCCN1 4027853 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.2 OCC1COCCO1 4015242 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.3 CN1CCC(N)CC1 4003460 [0,2,0,0,0,0|0,0,0]=2 103 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,2,0,0,0,0|1,0,1]=4 104 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,2,0,0,0,0|1,0,1]=4 105 B8R1.3 O=C1CCC(O)CC1 4029093 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.3 O=C1NCC(O)CN1 4044966 [0,2,0,0,0,0|1,0,1]=4 107 B8R1.4 CC1CCCC(=O)N1 4027532 [0,2,0,0,0,0|0,0,1]=3 108 B8R1.4 CC1CN(C)CCN1 4050805 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.4 CC1COCC(=O)N1 4028237 [0,2,0,0,0,0|1,0,1]=4 110 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,2,0,0,0,0|0,0,2]=4 111 B8R1.4 CN1CCCC(N)C1 4004054 [0,2,0,0,0,0|0,0,0]=2 112 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,2,0,0,0,0|1,0,1]=4 114 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,2,0,0,0,0|1,0,1]=4 116 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 4039538 [0,2,0,0,0,0|1,0,0]=3 117 B8R1.4 N[C@H]1CCC[C@@H](O)C1 4037289 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.5 CC1CNCCN1C 4002085 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.5 CC1CNCCN1C 4089459 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.5 CC1NCCNC1=O 4028234 [0,2,0,0,0,0|1,0,1]=4 121 B8R1.5 CC1OCCNC1=O 4045691 [0,2,0,0,0,0|1,0,1]=4 122 B8R1.5 CC1SCCNC1=O 4044376 [0,2,0,0,0,0|1,0,1]=4 123 B8R1.5 CN1CCCNC1=O 4035075 [0,2,0,0,0,0|1,0,1]=4 124 B8R1.5 CN1CCNCC1=O 4102111 [0,2,0,0,0,0|1,0,1]=4 125 B8R1.5 C[C@@H]1CNCCN1C 4062996 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.5 C[C@H]1CNCCN1C 4069956 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.5 C[C@H]1CNCC[C@@H]1O 4066771 [0,2,0,0,0,0|0,0,0]=2 128 B8R1.5 C[C@H]1CNCC[C@H]1O 4057248 [0,2,0,0,0,0|0,0,0]=2 129 B8R1.5 NC1CCCNC1=O 4002400 [0,2,0,0,0,0|0,0,1]=3 130 B8R1.5 N[C@@H]1COCC[C@@H]1O 4091253 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.5 N[C@@H]1COCC[C@H]1O 4080370 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.5 N[C@H]1CCOC[C@@H]1O 4051506 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.5 O[C@H]1CCNC[C@H]1O 4034770 [0,2,0,0,0,0|0,0,0]=2 134 B8R1.72 CC1(C)CCCNC1 4029954 [0,2,0,0,0,0|0,0,0]=2 135 B8R1.72 CC1(C)CCNCC1 4023814 [0,2,0,0,0,0|0,0,0]=2 136 B8R1.72 CC1(C)CNCCO1 4017656 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.72 CC1(N)CCCCC1 4017356 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.72 CC1(O)CCCNC1 4016060 [0,2,0,0,0,0|0,0,0]=2 139 B8R1.72 O=S1(=O)CCNCC1 4014927 [0,2,0,0,0,0|1,0,0]=3 140 B6R1.3 CCNC1CC1 4110570 [0,0,1,1,0,0|0,0,0]=2 141 B6R1.3 CNCC1CC1 4033531 [0,0,1,1,0,0|0,0,0]=2 142 B6R1.6 NCC1CCC1 4003518 [0,0,1,1,0,0|0,0,0]=2 143 B8R2.2 CC12CNCC1C2 4043501 [0,1,0,1,0,0|0,0,0]=2 144 B8R2.34 C1=CC2CC1CN2 4100720 [0,1,0,1,0,0|0,0,2]=4 145 B8R2.34 C1CC2CC1CN2 4100721 [0,1,0,1,0,0|0,0,0]=2 146 B8R2.34 C1CC2CCC1N2 4021192 [0,1,0,1,0,0|1,0,0]=3