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[0,1,0,0,0,0|2,0,1]=4 16 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [0,1,0,0,0,0|1,0,2]=4 17 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [0,1,0,0,0,0|1,0,2]=4 19 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.6 CSCCNC(=O)CO AIFCHEM-94532684957 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.9 CC(C)CNC(=O)CO AIFCHEM-94532683064 [0,1,0,0,0,0|2,0,0]=3 23 B8R0.9 CNC(=O)CNC(=O)C AIFCHEM-94605353566 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.9 O=C(CO)NCC(F)F AIFCHEM-94532685749 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.19 CCC(C)CN(C)CC AIFCHEM-94563261342 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.19 CCN(C)CC(=O)NC AIFCHEM-94537421740 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.19 CCN(C)CC(=O)OC AIFCHEM-94537414707 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.38 CCN(C)C1COC1 AIFCHEM-6097848012 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.38 O=C(CO)N1CCC1 AIFCHEM-94532681960 [0,0,0,1,0,0|2,0,0]=3 32 B8R1.40 C#CC(=O)NC1CC1 AIFCHEM-94525195526 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.40 O=C(CO)NC1CC1 AIFCHEM-94532679178 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.41 CCCNC1(CC1)C AIFCHEM-94569023712 [0,0,0,1,0,0|2,0,1]=4 35 B5R0.2 CCNCCF AIFCHEM-94537421854 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CC(=O)NCCC#N AIFCHEM-94605345768 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [1,1,0,0,0,0|0,0,1]=3 38 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [1,1,0,0,0,0|1,0,0]=3 39 B9R0.4 C/C=C/CC(=O)NC(C)C AIFCHEM-94520545588 [0,2,0,0,0,0|0,0,2]=4 40 B9R0.4 CCC#CC(=O)NC(C)C AIFCHEM-94520550067 [0,2,0,0,0,0|0,0,2]=4 41 B9R0.4 CCSCC(=O)NC(C)C AIFCHEM-94580213217 [0,2,0,0,0,0|1,0,0]=3 42 B9R0.5 C#CCC(=O)NCCOC AIFCHEM-6016769030 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.5 C#CCC(=O)NCCSC AIFCHEM-5865843417 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.5 C#CCCNC(=O)CSC AIFCHEM-6065971691 [0,2,0,0,0,0|0,0,2]=4 45 B9R0.5 CCCCCN(C)CCO AIFCHEM-94551423596 [0,2,0,0,0,0|2,0,0]=4 46 B9R0.5 CCNCCC(=O)OCC AIFCHEM-94537421553 [0,2,0,0,0,0|0,0,0]=2 47 B9R0.5 COCCNC(=O)CC#N AIFCHEM-94559910138 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.5 CSCCNC(=O)CSC AIFCHEM-94598929502 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.8 C#CCCC(=O)N(C)CC AIFCHEM-6099605725 [0,2,0,0,0,0|0,0,2]=4 50 B9R0.8 CCC(=O)N(C)CCC#N AIFCHEM-94526509717 [0,2,0,0,0,0|1,0,1]=4 51 B9R0.8 CCCNC(=O)C(O)CC AIFCHEM-94521379481 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.8 CCCNC(=O)C(O)CO AIFCHEM-94521378500 [0,2,0,0,0,0|1,0,0]=3 53 B9R0.8 CCCNC(=O)[C@@H](O)CC AIFCHEM-94521377603 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.8 CCCNC(=O)[C@H](O)CC AIFCHEM-5875554985 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.8 CCN(C)C(=O)CCC#N AIFCHEM-94563264030 [0,2,0,0,0,0|1,0,1]=4 56 B9R0.8 CCNCC(=O)N(C)OC AIFCHEM-94537423152 [0,2,0,0,0,0|2,0,0]=4 57 B9R0.8 CCOCC(=O)N(C)CC AIFCHEM-6119348986 [0,2,0,0,0,0|1,0,0]=3 58 B9R0.8 O=C(NCCF)C(O)CO AIFCHEM-5871463787 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.18 C/C=C/CC(=O)NCCF AIFCHEM-5871337255 [0,2,0,0,0,0|0,0,2]=4 60 B9R0.18 CCCCC(=O)NCCC AIFCHEM-94534100132 [0,2,0,0,0,0|0,0,0]=2 61 B9R0.18 CCCCC(=O)NCCF AIFCHEM-94534108252 [0,2,0,0,0,0|0,0,0]=2 62 B9R0.18 COCCC(=O)NCCF AIFCHEM-5871204007 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.34 C#CC(=O)NC(C)CCC AIFCHEM-94560482458 [0,2,0,0,0,0|0,0,2]=4 64 B9R0.34 C#CC(=O)N[C@@H](C)CCC AIFCHEM-94525196407 [0,2,0,0,0,0|0,0,2]=4 65 B9R0.34 C#CC(=O)N[C@H](C)CCC AIFCHEM-94525190584 [0,2,0,0,0,0|0,0,2]=4 66 B9R0.34 CCCC(C)NC(=O)CC AIFCHEM-94560484547 [0,2,0,0,0,0|0,0,0]=2 67 B9R0.34 CCCC(C)NC(=O)CO AIFCHEM-94560484548 [0,2,0,0,0,0|1,0,0]=3 68 B9R0.34 CCCN(C)CC(O)CC AIFCHEM-94569018598 [0,2,0,0,0,0|0,0,2]=4 69 B9R0.34 CCC[C@@H](C)NC(=O)CC AIFCHEM-94526499031 [0,2,0,0,0,0|0,0,0]=2 70 B9R0.34 CCC[C@@H](C)NC(=O)CO AIFCHEM-94532674236 [0,2,0,0,0,0|1,0,0]=3 71 B9R0.34 CCC[C@H](C)NC(=O)CC AIFCHEM-94526504854 [0,2,0,0,0,0|0,0,0]=2 72 B9R0.34 CCC[C@H](C)NC(=O)CO AIFCHEM-94532680059 [0,2,0,0,0,0|1,0,0]=3 73 B9R0.34 CCOC(=O)CN(C)CC AIFCHEM-94537422442 [0,2,0,0,0,0|1,0,0]=3 74 B9R0.34 COCC(C)NC(=O)CO AIFCHEM-94532682027 [0,2,0,0,0,0|2,0,0]=4 75 B9R0.34 COC[C@@H](C)NC(=O)CO AIFCHEM-94601273051 [0,2,0,0,0,0|2,0,0]=4 76 B9R0.34 COC[C@H](C)NC(=O)CO AIFCHEM-94572810236 [0,2,0,0,0,0|2,0,0]=4 77 B9R0.35 CCNC(=O)[C@H](C)NCC AIFCHEM-94595326854 [0,2,0,0,0,0|1,0,0]=3 78 B9R0.40 CCCCN(CO)CCO AIFCHEM-94574943526 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.48 C#CCC(=O)NCC(C)C AIFCHEM-94563729590 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.48 CC(C)CNC(=O)CCO AIFCHEM-94563731697 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.48 CCCN(C)CCC(C)C AIFCHEM-94569016119 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.48 CCNC(=O)CNC(=O)C AIFCHEM-5821849821 [0,2,0,0,0,0|1,0,1]=4 83 B9R0.48 CCOC(=O)CNC(=O)C AIFCHEM-94605354824 [0,2,0,0,0,0|1,0,1]=4 84 B9R0.12 CCC(=O)N(CC)CCF AIFCHEM-95157608241 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.12 CCCN(CC)C(=O)CC AIFCHEM-95157574285 [0,2,0,0,0,0|1,0,0]=3 86 B9R0.12 CCCN(CC)C(=O)CO AIFCHEM-97888407121 [0,2,0,0,0,0|2,0,0]=4 87 B9R0.12 CCNC(CC)C(=O)OC AIFCHEM-94537425270 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.12 CCN[C@@H](CC)C(=O)OC AIFCHEM-94537422943 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.12 CCN[C@H](CC)C(=O)OC AIFCHEM-94537426061 [0,2,0,0,0,0|2,0,0]=4 90 B9R0.23 CC(C)CN(C)C(=O)CO AIFCHEM-94532684278 [0,2,0,0,0,0|2,0,0]=4 91 B9R0.27 CCC(=O)N(C)C(C)CC AIFCHEM-94526510372 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.27 CCC(C)N(C)C(=O)CO AIFCHEM-94532685577 [0,2,0,0,0,0|2,0,0]=4 93 B9R0.60 CCNC(C)(C)C(=O)OC AIFCHEM-94537414493 [0,2,0,0,0,0|2,0,0]=4 94 B9R0.1 C#CC(=O)NCCC(C)C AIFCHEM-94525199807 [0,2,0,0,0,0|0,0,2]=4 95 B9R0.1 CCC(=O)NCCC(C)C AIFCHEM-94526508254 [0,2,0,0,0,0|0,0,0]=2 96 B9R0.1 CCC(F)CNCC(C)C AIFCHEM-94572974343 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.1 COC(=O)CCNC(=O)C AIFCHEM-94535595323 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.24 CC(C#N)CNC(=O)CO AIFCHEM-94532687545 [0,2,0,0,0,0|2,0,0]=4 99 B9R0.24 CCC(=O)NCC(=O)NC AIFCHEM-94562554628 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.24 CCN(C)CCC(=O)NC AIFCHEM-94601213308 [0,2,0,0,0,0|1,0,0]=3 101 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [0,2,0,0,0,0|1,0,1]=4 102 B9R0.46 CCC(C)CNCCSC AIFCHEM-94598925025 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.46 CCCCCNC(=O)CO AIFCHEM-94532685258 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.46 CCOCCNC(=O)CO AIFCHEM-94548617327 [0,2,0,0,0,0|1,0,0]=3 105 B9R0.47 CC#CCNC(=O)C(C)C AIFCHEM-94545049371 [0,2,0,0,0,0|0,0,2]=4 106 B9R0.47 CC(O)C(=O)NCCC#N AIFCHEM-94571301968 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.47 CCCCNC(C)C(C)O AIFCHEM-94547071284 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.47 COCCNC(=O)C(C)C AIFCHEM-94545041132 [0,2,0,0,0,0|1,0,0]=3 109 B9R0.47 CSCCCN(C)C(C)C AIFCHEM-94547938546 [0,2,0,0,0,0|2,0,0]=4 110 B9R0.50 CCCCNC(CC)CO AIFCHEM-5695192759 [0,2,0,0,0,0|0,0,2]=4 111 B9R0.50 CCCCN[C@@H](CC)CO AIFCHEM-94523039529 [0,2,0,0,0,0|0,0,2]=4 112 B9R0.50 CCCCN[C@H](CC)CO AIFCHEM-94523039530 [0,2,0,0,0,0|0,0,2]=4 113 B9R0.3 CCCNC(=O)C(C)(C)C AIFCHEM-5853692582 [0,2,0,0,0,0|1,0,0]=3 114 B9R0.13 CCCNC(CC)C(=O)O AIFCHEM-94569016786 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.13 CCCN[C@@H](CC)C(=O)O AIFCHEM-94569020414 [0,2,0,0,0,0|1,0,1]=4 116 B9R0.13 CCCN[C@H](CC)C(=O)O AIFCHEM-94569016473 [0,2,0,0,0,0|1,0,1]=4 117 B9R0.13 CCN(CCSC)C(=O)C AIFCHEM-98288877231 [0,2,0,0,0,0|2,0,0]=4 118 B9R0.21 CC(C)(C)CNC(=O)CO AIFCHEM-94532678213 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.21 CC(F)(F)CNC(=O)CO AIFCHEM-5902791885 [0,2,0,0,0,0|2,0,0]=4 120 B9R0.21 CCC(=O)NCC(C)(F)F AIFCHEM-94526511091 [0,2,0,0,0,0|1,0,0]=3 121 B9R0.26 CCC(=O)NC(CC)CC AIFCHEM-94526508989 [0,2,0,0,0,0|1,0,0]=3 122 B7R1.10 CCN1CC(C1)C AIFCHEM-94537427297 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.20 CC(=O)NC1CC1 AIFCHEM-6145357787 [1,0,0,1,0,0|1,0,0]=3 124 B9R1.7 CCCN1CCC(C1)F AIFCHEM-94569013737 [0,1,0,1,0,0|1,0,1]=4 125 B9R1.7 CCCN1CC[C@@H](C1)F AIFCHEM-94569011947 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.7 CCCN1CC[C@H](C1)F AIFCHEM-94569011948 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.7 CCNC1CCC(C1)O AIFCHEM-94537412824 [0,1,0,1,0,0|0,0,2]=4 128 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O AIFCHEM-94537413980 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.7 CCN[C@@H]1CC[C@H](C1)O AIFCHEM-94571556877 [0,1,0,1,0,0|0,0,2]=4 130 B9R1.7 CCN[C@H]1CC[C@@H](C1)O AIFCHEM-94537415911 [0,1,0,1,0,0|0,0,2]=4 131 B9R1.7 CCN[C@H]1CC[C@H](C1)O AIFCHEM-94537414200 [0,1,0,1,0,0|0,0,2]=4 132 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [0,1,0,1,0,0|1,0,1]=4 133 B9R1.9 CCCCN1CC(C1)C AIFCHEM-94523043610 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.73 COCC(=O)N1CCC1 AIFCHEM-6043254173 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.73 CSCC(=O)N1CCC1 AIFCHEM-5997495404 [0,1,0,1,0,0|1,0,0]=3 136 B9R1.75 CSCC(=O)NC1CC1 AIFCHEM-6145693473 [0,1,0,1,0,0|1,0,0]=3 137 B9R1.100 CCCNC(=O)C1CC1 AIFCHEM-94521375323 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.134 CCNC1(CCCC1)C AIFCHEM-94537411453 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.101 CCC(=O)N(C)C1CC1 AIFCHEM-94526507996 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.101 CN(C(=O)CO)C1CC1 AIFCHEM-94532683201 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.1 CCN1CCC(CC1)O AIFCHEM-94537422607 [0,1,0,1,0,0|0,0,2]=4 142 B9R1.16 CCCNC[C@@H]1C[C@H]1C AIFCHEM-94599414203 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [0,1,0,1,0,0|0,0,2]=4 144 B9R1.79 CCC(=O)NC1CSC1 AIFCHEM-94526501439 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.81 C#CC(=O)N1CCC1C AIFCHEM-94525191487 [0,1,0,1,0,0|0,0,2]=4 146 B9R1.81 C#CC(=O)N1CC[C@@H]1C AIFCHEM-94525203578 [0,1,0,1,0,0|0,0,2]=4 147 B9R1.81 C#CC(=O)N1CC[C@H]1C AIFCHEM-94525202066 [0,1,0,1,0,0|0,0,2]=4 148 B9R2.59 CCN1CC2CC1C2 AIFCHEM-94537426284 [0,0,0,2,0,0|2,0,0]=4