0 B6R0.6 CCCNCCO AIFCHEM-94577775848 [0,0,0,0,0,0|1,1,0]=2 1 B6R0.6 CCNCCCO AIFCHEM-94537415438 [0,0,0,0,0,0|1,1,0]=2 2 B5R0.2 CCNCCF AIFCHEM-94537421854 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [0,1,0,0,0,0|1,0,0]=2 4 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [0,1,0,0,0,0|2,0,0]=3 5 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [0,1,0,0,0,0|1,1,1]=4 6 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [0,1,0,0,0,0|1,1,0]=3 7 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [0,1,0,0,0,0|1,1,0]=3 8 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [0,1,0,0,0,0|1,1,0]=3 9 B7R0.7 CCNC(C)CCO AIFCHEM-94537419746 [0,1,0,0,0,0|1,1,0]=3 10 B7R0.7 CCN[C@@H](C)CCO AIFCHEM-94537423556 [0,1,0,0,0,0|1,1,0]=3 11 B7R0.7 CCN[C@H](C)CCO AIFCHEM-94537423557 [0,1,0,0,0,0|1,1,0]=3 12 B7R1.5 CCNC1CC1F AIFCHEM-94597362816 [0,0,0,1,0,0|2,0,0]=3 13 B7R1.5 CCN[C@@H]1C[C@@H]1F AIFCHEM-94537415225 [0,0,0,1,0,0|2,0,0]=3 14 B7R1.5 CCN[C@@H]1C[C@H]1C AIFCHEM-94559010888 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.5 CCN[C@@H]1C[C@H]1F AIFCHEM-94537412393 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.5 CCN[C@H]1C[C@@H]1F AIFCHEM-94537416447 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.5 CCN[C@H]1C[C@H]1F AIFCHEM-94537415224 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.7 CCCNC1CC1 AIFCHEM-94573313123 [0,0,0,1,0,0|2,0,0]=3 19 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [1,1,0,0,0,0|1,0,0]=3 20 B8R0.1 CCCCN(C)CC#N AIFCHEM-94523035626 [0,2,0,0,0,0|1,0,1]=4 21 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [0,2,0,0,0,0|1,0,0]=3 22 B8R0.1 CCCN(C)CCSC AIFCHEM-94607179096 [0,2,0,0,0,0|1,0,0]=3 23 B8R0.1 COCC(C)NCCO AIFCHEM-94577779767 [0,2,0,0,0,0|1,1,0]=4 24 B8R0.4 CCNCCOCCO AIFCHEM-94537420178 [0,2,0,0,0,0|0,1,0]=3 25 B8R0.4 CCNCCSCCO AIFCHEM-94537419052 [0,2,0,0,0,0|0,1,0]=3 26 B8R0.6 CCC(C)CNCCF AIFCHEM-5871243420 [0,2,0,0,0,0|1,0,0]=3 27 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [0,2,0,0,0,0|0,1,0]=3 28 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [0,2,0,0,0,0|0,1,0]=3 29 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [0,2,0,0,0,0|0,1,0]=3 30 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [0,2,0,0,0,0|0,1,0]=3 31 B8R0.7 CC(C)CNCCCO AIFCHEM-94572975411 [0,2,0,0,0,0|0,1,0]=3 32 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [0,2,0,0,0,0|1,0,0]=3 33 B8R0.7 CCNCCCN(C)C AIFCHEM-94537412068 [0,2,0,0,0,0|2,0,0]=4 34 B8R0.7 COCCNCC(C)C AIFCHEM-94572971410 [0,2,0,0,0,0|1,1,0]=4 35 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.8 CC(C)C(C)NCCO AIFCHEM-94522506272 [0,2,0,0,0,0|1,1,0]=4 37 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [0,2,0,0,0,0|1,1,0]=4 38 B8R0.9 CC(C)CNC(C)CO AIFCHEM-6145692687 [0,2,0,0,0,0|1,1,0]=4 39 B8R0.9 CC(C)CN[C@@H](C)CO AIFCHEM-94572978911 [0,2,0,0,0,0|1,1,0]=4 40 B8R0.9 CC(C)CN[C@H](C)CO AIFCHEM-94572979978 [0,2,0,0,0,0|1,1,0]=4 41 B8R0.11 CCCNC(CO)CO AIFCHEM-94569022033 [0,2,0,0,0,0|1,1,0]=4 42 B8R0.19 CCC(C)CN(C)CC AIFCHEM-94563261342 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.5 CC(C)CN(C)CCO AIFCHEM-94548507073 [0,2,0,0,0,0|1,1,0]=4 44 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [0,2,0,0,0,0|1,1,0]=4 45 B8R0.21 CCCNCC(C)(C)O AIFCHEM-94569016821 [0,2,0,0,0,0|1,1,0]=4 46 B8R0.21 CCNCCC(F)(F)F AIFCHEM-94537421855 [0,2,0,0,0,0|2,0,0]=4 47 B8R0.22 CCC[C@@H](CO)NCC AIFCHEM-94607957860 [0,2,0,0,0,0|2,0,0]=4 48 B8R0.22 CCC[C@H](CO)NCC AIFCHEM-94537425599 [0,2,0,0,0,0|2,0,0]=4 49 B8R1.8 CCNC1CCOC1 AIFCHEM-94537426578 [0,1,0,1,0,0|1,1,0]=4 50 B8R1.8 CCN[C@@H]1CCOC1 AIFCHEM-94537412237 [0,1,0,1,0,0|1,1,0]=4 51 B8R1.8 CCN[C@H]1CCOC1 AIFCHEM-94585471465 [0,1,0,1,0,0|1,1,0]=4 52 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.12 CCN1CC[C@@H]1CO AIFCHEM-94554359495 [0,1,0,1,0,0|0,1,0]=3 55 B8R1.12 CCN1CC[C@H]1CO AIFCHEM-94537411744 [0,1,0,1,0,0|0,1,0]=3 56 B8R1.41 CCCNC1(CC1)C AIFCHEM-94569023712 [0,1,0,1,0,0|2,0,0]=4 57 B8R1.6 CCCN1CC(C1)F AIFCHEM-94569020674 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.6 CCNC1CC(C1)F AIFCHEM-94537414225 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.6 CCN[C@H]1C[C@@H](C1)F AIFCHEM-94537415214 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.6 CCN[C@H]1C[C@H](C1)F AIFCHEM-94537415213 [0,1,0,1,0,0|2,0,0]=4