0 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.10 CCNC1CCCC(C1)C AIFCHEM-94537424394 [0,1,0,0,0,0|2,0,1]=4 2 B10R1.18 CC(=O)NC1CC=CCC1 AIFCHEM-94605350304 [0,1,0,0,0,0|1,0,2]=4 3 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [0,1,0,0,0,0|2,0,0]=3 4 B10R1.18 CC(=O)NC1CCSCC1 AIFCHEM-94535594005 [0,1,0,0,0,0|2,0,0]=3 5 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [0,1,0,0,0,0|2,0,0]=3 7 B10R2.161 CCN1C2CCC1CC2 AIFCHEM-94537419582 [0,0,0,1,0,0|2,0,1]=4 8 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,1,1,0,0,0|2,0,0]=4 9 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [0,1,1,0,0,0|2,0,0]=4 10 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,1,1,0,0,0|1,0,0]=3 11 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [0,1,1,0,0,0|2,0,0]=4 12 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [0,1,1,0,0,0|2,0,0]=4 13 B9R0.14 CCCN(CC)CC(=O)O AIFCHEM-94537424498 [0,1,1,0,0,0|2,0,0]=4 14 B9R0.14 CCNC(CC)CC(=O)O AIFCHEM-94537417368 [0,1,1,0,0,0|2,0,0]=4 15 B9R0.14 CCN[C@@H](CC)CC(=O)O AIFCHEM-94537417981 [0,1,1,0,0,0|2,0,0]=4 16 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94605355983 [0,2,0,0,0,0|1,0,0]=3 17 B11R1.157 CC(=O)NC1CCCN(C1)C AIFCHEM-94605357313 [0,2,0,0,0,0|2,0,0]=4 18 B11R1.157 CC(=O)N[C@@H]1CCCN(C1)C AIFCHEM-94605335337 [0,2,0,0,0,0|2,0,0]=4 19 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C AIFCHEM-6024056835 [0,2,0,0,0,0|2,0,0]=4 20 B11R1.40 O=C(CO)NC1CCCOC1 AIFCHEM-94532684792 [0,2,0,0,0,0|2,0,0]=4 21 B11R1.40 O=C(CO)N[C@@H]1CCCOC1 AIFCHEM-94532676794 [0,2,0,0,0,0|2,0,0]=4 22 B11R1.40 O=C(CO)N[C@H]1CCCOC1 AIFCHEM-6136630525 [0,2,0,0,0,0|2,0,0]=4 23 B11R1.91 CC(=O)NCC1CCCCO1 AIFCHEM-94535598550 [0,2,0,0,0,0|2,0,0]=4 24 B11R1.91 CC(=O)NCC1CCOCC1 AIFCHEM-5666836565 [0,2,0,0,0,0|2,0,0]=4 25 B9R1.17 O=COCNC1CCC1 AIFCHEM-94576055850 [0,0,1,1,0,0|1,0,0]=3 26 B9R1.17 O=COCNC1COC1 AIFCHEM-94595108229 [0,0,1,1,0,0|2,0,0]=4 27 B6R0.6 CCCNCCO AIFCHEM-94577775848 [2,0,1,0,0,0|1,0,0]=4 28 B6R0.6 CCNCCCO AIFCHEM-94537415438 [2,0,1,0,0,0|1,0,0]=4 29 B8R0.15 CCCN(CC)C(=O)C AIFCHEM-99350620485 [1,1,1,0,0,0|1,0,0]=4 30 B10R0.6 CCCCNC(C)CC(=O)O AIFCHEM-94523036017 [0,2,1,0,0,0|1,0,0]=4 31 B10R0.6 CCCCN[C@H](C)CC(=O)O AIFCHEM-94523039538 [0,2,1,0,0,0|1,0,0]=4 32 B10R0.78 CCCNC(C)COC(=O)C AIFCHEM-94599171235 [0,2,1,0,0,0|1,0,0]=4 33 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,2,1,0,0,0|1,0,0]=4 34 B10R0.4 CCCCNCCNC(=O)N AIFCHEM-94523033959 [0,2,1,0,0,0|1,0,0]=4 35 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,2,1,0,0,0|0,0,0]=3 36 B10R0.22 CC(C)(C)CCNCOC=O AIFCHEM-94595106156 [0,2,1,0,0,0|1,0,0]=4 37 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [0,2,1,0,0,0|1,0,0]=4 38 B10R0.71 O=COCNCCCCCO AIFCHEM-94595106915 [0,2,1,0,0,0|0,0,0]=3 39 B10R1.13 CC(=O)N1CCC(CC1)C AIFCHEM-94535598171 [1,2,0,0,0,0|1,0,0]=4 40 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [1,2,0,0,0,0|1,0,0]=4 41 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [1,2,0,0,0,0|1,0,0]=4 42 B10R1.27 CCC(=O)NC1CCCC1 AIFCHEM-94542387709 [0,2,0,0,1,0|1,0,0]=4 43 B12R1.1 CC1CCC(CC1)NCOC=O AIFCHEM-94595107765 [0,3,0,0,0,0|0,0,0]=3 44 B12R1.49 C#CC(=O)NC1CCC(CC1)C AIFCHEM-94564659908 [0,3,0,0,0,0|1,0,0]=4 45 B12R1.49 C#CC(=O)N[C@H]1CC[C@@H](CC1)C AIFCHEM-94525197054 [0,3,0,0,0,0|1,0,0]=4 46 B12R1.49 C#CC(=O)N[C@H]1CC[C@H](CC1)C AIFCHEM-94525197955 [0,3,0,0,0,0|1,0,0]=4 47 B12R1.4 COC1CCC(CC1)NC(=O)C AIFCHEM-94535596523 [0,3,0,0,0,0|1,0,0]=4 48 B12R1.4 CO[C@H]1CC[C@@H](CC1)NC(=O)C AIFCHEM-5753545744 [0,3,0,0,0,0|1,0,0]=4 49 B12R1.4 CO[C@H]1CC[C@H](CC1)NC(=O)C AIFCHEM-94535598049 [0,3,0,0,0,0|1,0,0]=4 50 B12R1.1819 CC(=O)NC1CCC(CC1)(F)F AIFCHEM-94540387725 [0,3,0,0,0,0|1,0,0]=4 51 B12R1.267 CC1CCCCC1NCOC=O AIFCHEM-94595107727 [0,3,0,0,0,0|0,0,0]=3 52 B12R1.371 C#CC(=O)NC1CCCCC1C AIFCHEM-94525201363 [0,3,0,0,0,0|1,0,0]=4 53 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@@H]1C AIFCHEM-94525202083 [0,3,0,0,0,0|1,0,0]=4 54 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1C AIFCHEM-94525198590 [0,3,0,0,0,0|1,0,0]=4 55 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94525201760 [0,3,0,0,0,0|1,0,0]=4 56 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@H]1C AIFCHEM-94525202082 [0,3,0,0,0,0|1,0,0]=4 57 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94526510207 [0,3,0,0,0,0|1,0,0]=4 58 B12R1.1009 CC(=O)NC1C(CCCC1C)C AIFCHEM-94535598732 [0,3,0,0,0,0|1,0,0]=4 59 B12R1.50 CCC(=O)NC1CCCC(C1)C AIFCHEM-94526509652 [0,3,0,0,0,0|1,0,0]=4 60 B12R1.34 CCC(=O)N(C)C1CCCCC1 AIFCHEM-94526498824 [0,3,0,0,0,0|1,0,0]=4 61 B12R1.107 CC(=O)NC(C)C1CCCCC1 AIFCHEM-94605351577 [0,3,0,0,0,0|1,0,0]=4 62 B12R1.107 CC(=O)N[C@@H](C)C1CCCCC1 AIFCHEM-5845656197 [0,3,0,0,0,0|1,0,0]=4 63 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 AIFCHEM-94605354533 [0,3,0,0,0,0|1,0,0]=4 64 B12R1.8 O=COCNCC1CCCCC1 AIFCHEM-94595105397 [0,3,0,0,0,0|0,0,0]=3 65 B12R1.27 COC(=O)CNC1CCCCC1 AIFCHEM-94601795234 [0,3,0,0,0,0|1,0,0]=4 66 B12R1.252 O=C(O)CCNC1CCCCC1 AIFCHEM-94601784199 [0,3,0,0,0,0|1,0,0]=4 67 B12R1.43 CC(NC1CCCCC1)C(=O)O AIFCHEM-94601792196 [0,3,0,0,0,0|1,0,0]=4 68 B12R1.43 CC(O)C(=O)NC1CCCCC1 AIFCHEM-94560385013 [0,3,0,0,0,0|1,0,0]=4 69 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)O AIFCHEM-94601792666 [0,3,0,0,0,0|1,0,0]=4 70 B12R1.43 C[C@@H](O)C(=O)NC1CCCCC1 AIFCHEM-5905762940 [0,3,0,0,0,0|1,0,0]=4 71 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O AIFCHEM-94601795637 [0,3,0,0,0,0|1,0,0]=4 72 B12R1.43 C[C@H](O)C(=O)NC1CCCCC1 AIFCHEM-5907708693 [0,3,0,0,0,0|1,0,0]=4 73 B10R1.168 CCN1CC(C1)OC(=O)C AIFCHEM-94537414773 [0,1,1,1,0,0|1,0,0]=4 74 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [0,1,1,1,0,0|1,0,0]=4 75 B12R2.1365 CC(=O)N1C2CCCC1CC2 AIFCHEM-94605355371 [0,1,0,1,0,1|1,0,0]=4 76 B12R2.2110 O=COCNC1CC2CC2C1 AIFCHEM-94595104990 [0,2,0,1,0,0|0,0,0]=3