0 B6R0.6 CCCNCCC AB02251 [1,0,0,0,0,0|1,0,0]=2 1 B8R1.2 C1CC(CNC1)CN AB17390 [0,0,0,1,0,0|3,0,0]=4 2 B8R1.2 C1CC(CNC1)CO PB21599 [0,0,0,1,0,0|3,0,0]=4 3 B8R1.2 C1CC(COC1)CBr PB14565 [0,0,0,1,0,0|2,1,0]=4 4 B8R1.2 C1CC(COC1)CN PB23481 [0,0,0,1,0,0|2,1,0]=4 5 B8R1.2 C1CC(COC1)CO PB12514 [0,0,0,1,0,0|2,1,0]=4 6 B8R1.2 C1CCOC(C1)CBr MB00206 [0,0,0,1,0,0|2,1,0]=4 7 B8R1.2 C1CCOC(C1)CN AB28292 [0,0,0,1,0,0|2,1,0]=4 8 B8R1.2 C1CCOC(C1)CO AB00784 [0,0,0,1,0,0|2,1,0]=4 9 B8R1.2 CCC1CNCCN1 AB13949 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.2 CCC1CNCCO1 AB49621 [0,0,0,1,0,0|2,1,0]=4 11 B8R1.2 CCC1COCCN1 AB49617 [0,0,0,1,0,0|2,1,0]=4 12 B8R1.2 CC[C@@H]1CNCCN1 AB14255 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.2 COC1CCCNC1 PB14414 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 CO[C@@H]1CCCNC1 PB31791 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 CO[C@@H]1CCCNC1 PB31829 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 CO[C@H]1CCCNC1 PB13690 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.2 CO[C@H]1CCCNC1 PB31836 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.5 CC1CCNCC1O PB36981 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.5 C[C@@H]1CCNC[C@@H]1O PB36094 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.5 C[C@@H]1CCNC[C@H]1O PB11361 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.5 C[C@@H]1CCNC[C@H]1O PB36650 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.5 C[C@@H]1COCC[C@H]1N PB28883 [0,0,0,1,0,0|2,1,0]=4 23 B8R1.5 C[C@H]1CCNC[C@H]1O PB39034 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.5 C[C@H]1COCC[C@H]1N PB19784 [0,0,0,1,0,0|2,1,0]=4 25 B8R1.8 C1CC(NC1)CCO CB10162 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.8 C1CC(NC1)CCO PB35354 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.8 C1CC(OC1)CCI AB76593 [0,0,0,1,0,0|2,1,0]=4 28 B8R1.8 C1CC(OC1)CCN AB30605 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.8 C1CCC(C1)CCN AB02350 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.8 CCCC1CCCN1 AB12028 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.8 COC[C@@H]1CCCN1 PB10025 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.8 COC[C@H]1CCCN1 PB15637 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.10 CCCOC1CNC1 AB30389 [0,0,0,1,0,0|2,1,0]=4 34 B8R1.22 C1CC(CCNC1)F PB33307 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.22 C1CC(CCNC1)O PB18652 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.22 C1CC(CCOC1)N AB70734 [0,0,0,1,0,0|2,1,0]=4 37 B8R1.22 C1CCNCC(C1)N AB11528 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.22 C1CCNC[C@@H](C1)N PB20876 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.22 CC1CCNCCN1 PB17623 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.22 C[C@H]1CNCCCN1 AB72341 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.36 COCCNC1CC1 MB07709 [0,0,0,1,0,0|3,0,0]=4 42 B9R0.45 CCCCCCNCCN AB05874 [0,2,0,0,0,0|2,0,0]=4 43 B7R1.1 C1CC(OC1)CI AB24846 [1,0,0,1,0,0|1,1,0]=4 44 B7R1.1 C1CC(OC1)CN AB00408 [1,0,0,1,0,0|1,1,0]=4 45 B7R1.1 C1CCC(C1)CBr AB50196 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.1 C1CCC(C1)CI AB15507 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.1 C1CCC(C1)CN AB17884 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.1 C1C[C@@H](NC1)CO PB21663 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.1 C1C[C@H](NC1)CF PB15907 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.1 C1C[C@H](NC1)CN PB13488 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.1 C1C[C@H](NC1)CO PB30520 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.1 CCC1CCCN1 AB12042 [1,0,0,1,0,0|1,0,0]=3 53 B7R1.1 CCC1CCNC1 AB41905 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.1 CC[C@@H]1CCNC1 AB74297 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 C1CC(=O)CSC1 PB28980 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.3 C1CC(CNC1)F PB33693 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 C1CC(CNC1)O PB27381 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 C1CC(CNC1)S PB34789 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 C1CC(COC1)Br MB04535 [1,0,0,1,0,0|1,1,0]=4 60 B7R1.3 C1CC(COC1)N PB30901 [1,0,0,1,0,0|1,1,0]=4 61 B7R1.3 C1CC(COC1)O PB32182 [1,0,0,1,0,0|1,1,0]=4 62 B7R1.3 C1CSCCC1N AB32569 [1,0,0,1,0,0|2,0,0]=4 63 B7R1.3 C1C[C@@H](CNC1)F PB24269 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.3 C1C[C@@H](CNC1)N AB15031 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 C1C[C@@H](CNC1)O PB26394 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.3 C1C[C@H](CNC1)F PB38654 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 C1C[C@H](CNC1)N AB29962 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 C1C[C@H](CNC1)O PB20930 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 C1C[C@H](CNC1)O PB25197 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 CC1CCCNC1 AB00557 [1,0,0,1,0,0|1,0,0]=3 71 B7R1.3 CC1CNCCO1 PB23610 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 CC1COCCN1 AB49614 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.3 C[C@@H]1CNCCN1 AB04653 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C[C@@H]1CNCCO1 PB14859 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.3 C[C@@H]1COCCN1 AB62216 [1,0,0,1,0,0|1,1,0]=4 76 B7R1.3 C[C@H]1CNCCN1 AB04288 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 C[C@H]1CNCCN1 AB14223 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 C[C@H]1CNCCN1 AB63406 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 C[C@H]1CNCCO1 PB26597 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.3 C[C@H]1COCCN1 AB16412 [1,0,0,1,0,0|1,1,0]=4 81 B7R1.6 C1CC(C1)CCN PB23748 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.6 C1CN(C1)CCCl PB37452 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.7 C1CC1OCCCl AB18070 [1,0,0,1,0,0|1,1,0]=4 84 B9R1.2 CCC1CCCC(=O)N1 CB11733 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.8 C1CC(COC1)CCN MB05843 [0,1,0,1,0,0|1,1,0]=4 86 B9R1.8 C1CCC(CC1)CCN AB02346 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.8 C1CCC(CC1)CCN AB09885 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.8 C1CCN[C@H](C1)CCO MB06302 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.8 C1CCOC(C1)CCN AB28415 [0,1,0,1,0,0|1,1,0]=4 90 B9R1.8 CCCC1CNCCO1 AB70522 [0,1,0,1,0,0|1,1,0]=4 91 B9R1.8 CCCC1COCCN1 AB53847 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.8 CNCC1CCCCO1 AB45928 [0,1,0,1,0,0|1,1,0]=4 93 B9R1.8 COCC1CCCCN1 MB02439 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.12 CCCCC1CCCN1 AB12052 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.15 CCC1CCCCC1=O AB02693 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.33 CCCN1CCCC1=O AB51341 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.89 COC1CCCNCC1 PB16681 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.6 CC(C)C1CCCCN1 AB12062 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.148 CC1(CCCNCC1)O PB34852 [0,1,0,1,0,0|2,0,0]=4 100 B9R2.68 C1C[C@@H]2CC[C@H](C1)N2 PB15162 [0,0,0,2,0,0|2,0,0]=4 101 B9R2.6 CC12CCNCC1C2 PB24469 [0,0,0,2,0,0|2,0,0]=4 102 B9R2.3 C1CC2CCNC2C1 MB13581 [0,0,0,2,0,0|2,0,0]=4 103 B9R2.3 C1CC2CNCC2C1 AB06909 [0,0,0,2,0,0|2,0,0]=4 104 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 PB16219 [0,0,0,2,0,0|2,0,0]=4 105 B9R2.173 C1CC2(C1)CCCN2 PB13614 [0,0,0,2,0,0|2,0,0]=4