0 B5R1.3 CSC1CC1 m_7__22987858__5046 [0,0,0,0,0,0|3,0,0]=3 1 B6R1.3 CCSC1CC1 m_7__22987770__16761930 [0,1,0,0,0,0|2,0,0]=3 2 B6R1.3 CNCC1CC1 m_207__134027__2989440 [0,1,0,0,0,0|2,0,0]=3 3 B6R1.3 CSCC1CC1 m_62__7141820__876088 [0,1,0,0,0,0|2,0,0]=3 4 B6R1.3 ON=CC1CC1 m_4__388124__7831630 [0,1,0,0,0,0|2,0,1]=4 5 B6R1.7 CNC1(CC1)C m_2230__22404332__2463448 [0,1,0,0,0,0|3,0,0]=4 6 B6R1.11 CN(C)C1CC1 m_2230__804662__2463448 [0,1,0,0,0,0|3,0,0]=4 7 B6R1.11 NC(=O)C1CC1 m_22__58357__58902 [0,1,0,0,0,0|2,0,1]=4 8 B4R0.1 CSC(C)C m_62__2390328__876088 [0,0,1,0,0,0|3,0,0]=4 9 B4R0.2 C=CCSC m_62__875850__8363982 [0,0,1,0,0,0|1,1,1]=4 10 B4R0.2 CCCSC m_62__875778__876088 [0,0,1,0,0,0|1,1,0]=3 11 B4R0.2 CCNCC m_270004__8160850__24715004 [0,0,1,0,0,0|3,0,0]=4 12 B4R0.2 CCSCC m_62__875846__6469026 [0,0,1,0,0,0|3,0,0]=4 13 B4R0.2 CSCCN m_7__20871276__5046 [0,0,1,0,0,0|1,1,0]=3 14 B4R0.2 CSCCO m_62__875850__10178562 [0,0,1,0,0,0|1,1,0]=3 15 B6R1.6 CNC1COC1 m_269862__7193148__7931470 [0,0,0,0,0,1|2,0,0]=3 16 B6R1.6 CSC1CCC1 m_7__10684076__5046 [0,0,0,0,0,1|3,0,0]=4 17 B6R1.6 CSC1CNC1 m_7__22987816__5046 [0,0,0,0,0,1|3,0,0]=4 18 B6R1.6 CSC1COC1 m_7__13420946__5046 [0,0,0,0,0,1|2,0,0]=3 19 B6R1.6 CSC1CSC1 m_7__20064714__5046 [0,0,0,0,0,1|2,1,0]=4 20 B6R1.6 ON=C1COC1 m_4__388124__10542522 [0,0,0,0,0,1|2,0,1]=4 21 B3R0.1 CCSC m_62__875846__876088 [1,0,1,0,0,0|0,1,0]=3 22 B5R0.1 CCNC(C)C m_269862__7865270__7204804 [0,1,1,0,0,0|2,0,0]=4 23 B5R0.1 CCSC(C)C m_62__2390328__6469026 [0,1,1,0,0,0|2,0,0]=4 24 B5R0.1 CNCC(C)C m_207__134027__121216 [0,1,1,0,0,0|2,0,0]=4 25 B5R0.1 CSCC(C)C m_62__1010136__876088 [0,1,1,0,0,0|2,0,0]=4 26 B5R0.1 CSCC(C)F m_62__875850__16913488 [0,1,1,0,0,0|2,0,0]=4 27 B5R0.1 CSCC(C)O m_7__10953796__5046 [0,1,1,0,0,0|1,0,0]=3 28 B5R0.1 CSC[C@H](C)N m_7__20871336__5046 [0,1,1,0,0,0|2,0,0]=4 29 B5R0.3 CCC(C)NC m_2230__22399526__2463448 [0,1,1,0,0,0|2,0,0]=4 30 B5R0.3 CCN(C)OC m_2230__679026__22383854 [0,1,1,0,0,0|2,0,0]=4 31 B5R0.3 CNC(C)CCl m_2230__22399894__2463448 [0,1,1,0,0,0|1,0,0]=3 32 B5R0.3 CNC(C)CO m_269862__7193148__15157990 [0,1,1,0,0,0|2,0,0]=4 33 B5R0.3 CN[C@H](C)CF m_2230__22399906__2463448 [0,1,1,0,0,0|1,1,0]=4 34 B5R0.3 CN[C@H](C)CN m_269982__22505378__14064228 [0,1,1,0,0,0|2,0,0]=4 35 B5R0.3 CN[C@H](C)CO m_2230__22399532__2463448 [0,1,1,0,0,0|2,0,0]=4 36 B5R0.3 CSC(C)CO m_7__6338928__5046 [0,1,1,0,0,0|1,1,0]=4 37 B5R0.3 CS[C@@H](C)CN m_7__20871330__5046 [0,1,1,0,0,0|1,1,0]=4 38 B5R0.5 C[C@@H](O)C(=O)N m_22__58357__17541882 [0,1,1,0,0,0|1,0,1]=4 39 B5R0.2 C#CCCSC m_62__875850__18060662 [0,1,1,0,0,0|1,1,0]=4 40 B5R0.2 C=CCCSC m_62__875850__9875548 [0,1,1,0,0,0|1,1,0]=4 41 B5R0.2 CCC=NOC m_34__17309904__7119628 [0,1,1,0,0,0|1,0,1]=4 42 B5R0.2 CCCC=NO m_4__388124__7831606 [0,1,1,0,0,0|1,0,1]=4 43 B5R0.2 CCCCSC m_62__875776__876088 [0,1,1,0,0,0|1,1,0]=4 44 B5R0.2 CCCNCC m_270004__8288780__24715004 [0,1,1,0,0,0|2,0,0]=4 45 B5R0.2 CCCSCC m_62__875778__6469026 [0,1,1,0,0,0|1,1,0]=4 46 B5R0.2 CCNCCO m_270004__8349608__24715004 [0,1,1,0,0,0|1,0,0]=3 47 B5R0.2 CCSCCF m_7__22987770__22320828 [0,1,1,0,0,0|0,2,0]=4 48 B5R0.2 CCSCCN m_7__20871276__5047 [0,1,1,0,0,0|1,1,0]=4 49 B5R0.2 CCSCCO m_7__22987770__102708 [0,1,1,0,0,0|1,0,0]=3 50 B5R0.2 CCSCOC m_7__22987770__6762 [0,1,1,0,0,0|1,0,0]=3 51 B5R0.2 CCSCSC m_7__22987770__10542644 [0,1,1,0,0,0|1,1,0]=4 52 B5R0.2 CNCCSC m_7__22986920__5046 [0,1,1,0,0,0|1,1,0]=4 53 B5R0.2 COCCSC m_62__524272__876088 [0,1,1,0,0,0|1,0,0]=3 54 B5R0.2 CSCCC#N m_7__10953802__5046 [0,1,1,0,0,0|1,1,0]=4 55 B5R0.2 CSCCCN m_7__20871288__5046 [0,1,1,0,0,0|1,1,0]=4 56 B5R0.2 CSCCCO m_7__10972294__5046 [0,1,1,0,0,0|1,0,0]=3 57 B5R0.2 CSCCSC m_62__875850__8268572 [0,1,1,0,0,0|1,1,0]=4 58 B7R1.6 CCNC1COC1 m_269862__7865270__7931470 [0,1,0,0,0,1|1,0,0]=3 59 B7R1.6 CCNC1CSC1 m_270004__13270386__24715004 [0,1,0,0,0,1|1,1,0]=4 60 B7R1.6 CCSC1CCC1 m_7__10684076__5047 [0,1,0,0,0,1|2,0,0]=4 61 B7R1.6 CCSC1CNC1 m_7__22987816__5047 [0,1,0,0,0,1|2,0,0]=4 62 B7R1.6 CCSC1COC1 m_7__13420946__5047 [0,1,0,0,0,1|1,0,0]=3 63 B7R1.6 CCSC1CSC1 m_7__20064714__5047 [0,1,0,0,0,1|1,1,0]=4 64 B7R1.6 CNCC1COC1 m_207__134027__22332602 [0,1,0,0,0,1|1,0,0]=3 65 B7R1.6 CSCC1CCC1 m_62__6007776__876088 [0,1,0,0,0,1|2,0,0]=4 66 B7R1.6 CSCC1COC1 m_62__875850__16613884 [0,1,0,0,0,1|1,0,0]=3 67 B7R1.6 ON=CC1COC1 m_4__388124__22332600 [0,1,0,0,0,1|1,0,1]=4 68 B7R1.8 CN1CCC1CO m_2230__13428546__2463448 [0,1,0,0,0,1|2,0,0]=4 69 B7R1.18 CN(C)C1COC1 m_2230__13570148__2463448 [0,1,0,0,0,1|2,0,0]=4 70 B7R1.18 NC(=O)C1CCO1 m_22__58357__7868010 [0,1,0,0,0,1|1,0,1]=4 71 B7R1.25 CNC1(COC1)C m_2230__22396972__2463448 [0,1,0,0,0,1|2,0,0]=4 72 B7R1.5 CCNC1CC1C m_270004__8294846__24715004 [0,2,0,0,0,0|2,0,0]=4 73 B7R1.5 CSCC1CC1C m_62__12216592__876088 [0,2,0,0,0,0|2,0,0]=4 74 B7R1.5 CSC[C@@H]1C[C@H]1C m_62__875850__23861442 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.7 C#CCSC1CC1 m_7__22987858__6266 [0,2,0,0,0,0|2,0,0]=4 76 B7R1.7 C=CCSC1CC1 m_7__22987858__3427024 [0,2,0,0,0,0|2,0,0]=4 77 B7R1.7 CCCSC1CC1 m_7__22986886__16761930 [0,2,0,0,0,0|2,0,0]=4 78 B7R1.7 CCNCC1CC1 m_207__121480__2989440 [0,2,0,0,0,0|2,0,0]=4 79 B7R1.7 CCSCC1CC1 m_62__875846__7141822 [0,2,0,0,0,0|2,0,0]=4 80 B7R1.7 CCSCC1CS1 m_7__22987770__22787476 [0,2,0,0,0,0|1,1,0]=4 81 B7R1.7 COCSC1CC1 m_7__22987858__6762 [0,2,0,0,0,0|2,0,0]=4 82 B7R1.7 CSCCC1CC1 m_62__875850__9143162 [0,2,0,0,0,0|2,0,0]=4 83 B7R1.7 CSCSC1CC1 m_7__22987858__10542644 [0,2,0,0,0,0|2,0,0]=4 84 B7R1.7 FCCSC1CC1 m_7__22987858__22320828 [0,2,0,0,0,0|1,1,0]=4 85 B7R1.7 N#CCSC1CC1 m_7__22987858__5055 [0,2,0,0,0,0|2,0,0]=4 86 B7R1.7 NCCSC1CC1 m_7__20871276__16761930 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.7 OCCSC1CC1 m_7__22987858__102708 [0,2,0,0,0,0|2,0,0]=4 88 B7R1.20 CC(C)SC1CC1 m_7__22987858__5048 [0,2,0,0,0,0|2,0,0]=4 89 B7R1.20 CN(C)CC1CC1 m_2230__1000274__2463448 [0,2,0,0,0,0|2,0,0]=4 90 B7R1.20 CS(=O)CC1CC1 m_265282__10978854__4273530 [0,2,0,0,0,0|2,0,0]=4 91 B7R1.20 NC(=O)CC1CC1 m_22__58357__592954 [0,2,0,0,0,0|2,0,0]=4 92 B7R1.21 CCNC1(CC1)C m_2230__22404332__22383854 [0,2,0,0,0,0|2,0,0]=4 93 B7R1.21 CNCC1(CC1)C m_207__134027__9439020 [0,2,0,0,0,0|2,0,0]=4 94 B7R1.21 CNCC1(CC1)F m_207__134027__9479524 [0,2,0,0,0,0|2,0,0]=4 95 B7R1.22 C=C(CF)C1CC1 m_271570__11830330__15157968 [0,2,0,0,0,0|1,1,0]=4 96 B7R1.22 CCN(C)C1CC1 m_2230__804672__2463448 [0,2,0,0,0,0|2,0,0]=4 97 B7R1.22 CN[C@@H](C)C1CC1 m_2230__22400112__2463448 [0,2,0,0,0,0|2,0,0]=4 98 B7R1.29 CCC1(CC1)NC m_2230__22400256__2463448 [0,2,0,0,0,0|2,0,0]=4 99 B7R1.29 CNC1(CC1)CF m_2230__22399260__2463448 [0,2,0,0,0,0|1,1,0]=4 100 B7R1.29 CNC1(CC1)CN m_269982__22505280__14064228 [0,2,0,0,0,0|2,0,0]=4 101 B7R1.1 CSC1CCOC1 m_62__875850__10903820 [0,0,0,0,0,2|2,0,0]=4