0 B7R0.1 C#CCCCCCC AMY25742 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CCCCCC=C AMY22303 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C=CCCCCC=O AMY2455 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C=CCCCCCCl AM85971 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 C=CCCCCCO AMY7500 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 C=CCCCCNC AMY41147 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 N#CCCSCCO AMY25176 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 NCCSSCCN AM20100373 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C=CCCCCBr AM84859 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.6 C=CCCCCO AM20100796 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.6 C=CCNCC=C AMY22157 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.6 C=CCNCC=C AMY25549 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 C=COCCCN AMY3063 [1,0,0,0,0,0|2,1,0]=4 13 B6R0.6 CCCCCCC AMY22304 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 CCCCCCN AMY21942 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCNCC AMY3985 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 O=CCCCCCl AMY772 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.1 C=CCCC(=O)OCC AMY3888 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.7 CCCCCCC(=O)O AMY41347 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.2 O=CC1CCCCC1 AM83285 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,0,0,1,0,0|2,1,0]=4 25 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,0,0,1,0,0|2,1,0]=4 29 B8R1.8 CCCC1=NNC=C1 AMY6454 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.8 CCCN1C=CN=C1 AMY8648 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.8 CNCC1=CC=CS1 AM20100421 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.8 NCCC1=CC=CS1 AM803664 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.8 O=CCC1CCCC1 AMY18693 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.8 OCCC1=CC=CS1 AM82007 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.22 O=C1CCCNCC1 AM20100232 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.49 C1=CCCC=CCC1 AMY11686 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.49 C1=CCCC=CCC1 AMY11690 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.49 C1=CCCC=CCC1 AMY11752 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.49 C1=CCCC=CCC1 AMY19657 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.49 C1=CCCC=CCC1 AMY19664 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.49 C1=CCCC=CCC1 AMY19798 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.49 C1=CCCC=CCC1 AMY22290 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.49 C1=CCCCCC=C1 AMY19658 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.49 C1=CCCCCCC1 AMY11766 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.49 C1=CCCCCCC1 AMY19666 [0,0,0,1,0,0|2,0,0]=3 47 B5R0.2 C#CCCCC AMY1242 [2,0,0,0,0,0|0,0,2]=4 48 B5R0.2 C=CCCC=C AMY18716 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.2 C=CCCC=C AMY19739 [2,0,0,0,0,0|0,0,2]=4 50 B5R0.2 C=CCCCBr AM20080066 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.2 C=CCCCO AMY41353 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.2 CCCCCBr AMY9378 [2,0,0,0,0,0|1,0,1]=4 53 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|0,0,2]=4 54 B5R0.2 CCCCCN AMY21878 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.2 CCCCCS AMY19243 [2,0,0,0,0,0|1,0,1]=4 56 B5R0.2 CCCCNN AMY202003284 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.2 CCCNCC AMY13343 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.2 CSCCCCl AMY744 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.2 CSSSSC AM806645 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.3 C=CC(=O)NCCC AMY39214 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.4 CCCOCC(=O)O AMY4018 [1,1,0,0,0,0|1,1,0]=4 62 B7R0.7 C=CCC(=O)OCC AMY30553 [1,1,0,0,0,0|1,1,0]=4 63 B9R0.45 C=CCCCCCCC=C AM84562 [0,2,0,0,0,0|2,0,0]=4 64 B9R0.24 CCC(C)SSC(C)CC AMY37144 [0,2,0,0,0,0|0,0,2]=4 65 B7R1.1 C=CN1CCCC1 AM85776 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.1 CCC1=CC=CS1 AM20110253 [1,0,0,1,0,0|0,0,2]=4 67 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [1,0,0,1,0,0|1,0,1]=4 68 B7R1.1 O=CC1CCCC1 AM83284 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [1,0,0,1,0,0|1,1,0]=4 73 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [1,0,0,1,0,0|2,0,0]=4 74 B7R1.3 C=C1CCCCC1 AMY736 [1,0,0,1,0,0|1,0,0]=3 75 B7R1.3 C=C1CCCOC1 AMY6008 [1,0,0,1,0,0|0,1,0]=3 76 B7R1.3 C=C1CCNCC1 AMY5962 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.3 C=C1CCNCC1 AMY6101 [1,0,0,1,0,0|2,0,0]=4 78 B7R1.3 C=C1CCNCC1 AMY6167 [1,0,0,1,0,0|2,0,0]=4 79 B7R1.3 C=C1CCOCC1 AMY34984 [1,0,0,1,0,0|1,1,0]=4 80 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [1,0,0,1,0,0|1,1,0]=4 81 B7R1.3 O=C1CCCNC1 AM20100504 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.3 O=C1CCCNC1 AM81341 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.3 O=C1CCCOC1 AM20090251 [1,0,0,1,0,0|1,1,0]=4 84 B7R1.3 O=C1CCCSC1 AM20090115 [1,0,0,1,0,0|1,0,0]=3 85 B7R1.3 O=C1CCSCC1 AM20080026 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.3 O=C1CSCCN1 AMY10805 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.4 C[C@H]1CCCC1=O AM84338 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.8 OCC[C@@H]1C=CCCC1 AM86042 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.12 CCCCC1=CCC=C1 AMY2875 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.12 CNCCC1=CC=CS1 AMY21331 [0,1,0,1,0,0|1,0,1]=4 93 B9R1.12 NCCSC1=CC=CS1 AM100980 [0,1,0,1,0,0|1,0,1]=4 94 B9R1.12 OCCSC1=CC=CS1 AM100947 [0,1,0,1,0,0|1,0,1]=4 95 B9R1.6 O=C(O)[C@H]1CCCSC1 AMY34285 [0,1,0,1,0,0|2,0,0]=4