0 B10R0.4 CC(=O)SCCCNCCO AIFCHEM-94577779442 [0,0,0,0,0,0|3,0,1]=4 1 B10R0.4 CCCCCCNCC(C)C AIFCHEM-94572974669 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.4 CCCCNCCNC(=O)C AIFCHEM-94523027506 [0,0,0,0,0,0|2,0,1]=3 3 B10R0.4 CCCCNCCNC(=O)N AIFCHEM-94523033959 [0,0,0,0,0,0|3,0,1]=4 4 B10R0.4 CCCCNCCOC(=O)C AIFCHEM-94523034395 [0,0,0,0,0,0|2,0,1]=3 5 B10R0.4 O=C(O)CNCCCCCO AIFCHEM-5913012506 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [1,0,0,0,0,0|2,0,0]=3 11 B11R0.2 CCCCCCC(C)NC(=O)C AIFCHEM-94605355494 [0,1,0,0,0,0|1,0,1]=3 12 B11R0.2 CCCCCC[C@@H](C)NC(=O)C AIFCHEM-94605352297 [0,1,0,0,0,0|1,0,1]=3 13 B11R0.2 CCCCCC[C@H](C)NC(=O)C AIFCHEM-94605352296 [0,1,0,0,0,0|1,0,1]=3 14 B11R0.2 CCCCCNC(=O)CC(=O)N AIFCHEM-94522660717 [0,1,0,0,0,0|2,0,1]=4 15 B11R0.30 CC(=O)NCCCNCC(C)C AIFCHEM-94572980697 [0,1,0,0,0,0|2,0,1]=4 16 B11R0.40 CNC(=O)CNCCCCCO AIFCHEM-94562543612 [0,1,0,0,0,0|2,0,1]=4 17 B11R0.148 CCCCCNCCCC(=O)N AIFCHEM-94551425838 [0,1,0,0,0,0|1,0,2]=4 18 B11R0.148 CCNCCCCCCC(=O)O AIFCHEM-94537427208 [0,1,0,0,0,0|1,0,2]=4 19 B11R0.148 CCNCCCCCNC(=O)C AIFCHEM-94537420207 [0,1,0,0,0,0|1,0,1]=3 20 B11R0.148 CSCCCNCCOC(=O)C AIFCHEM-94546179307 [0,1,0,0,0,0|2,0,1]=4 21 B11R0.176 CCCC(C)NCCNC(=O)C AIFCHEM-94606107925 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.24 CCCNC1CCNC(=O)C1 AIFCHEM-94569013012 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.27 CCCCNC1CNC(=O)C1 AIFCHEM-94570972996 [0,0,0,1,0,0|2,0,1]=4 24 B11R1.27 CCCCN[C@H]1CNC(=O)C1 AIFCHEM-94523033306 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.27 CCCNCc1ccc(s1)C AIFCHEM-5875387824 [0,0,0,1,0,0|1,1,1]=4 26 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94605355983 [0,0,0,1,0,0|2,0,1]=4 27 B11R1.91 CC(=O)NCC1CCCCO1 AIFCHEM-94535598550 [0,0,0,1,0,0|2,0,1]=4 28 B11R1.91 CC(=O)NCC1CCOCC1 AIFCHEM-5666836565 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.193 COC[C@@H]1CCCN1C(=O)C AIFCHEM-94605354948 [0,0,0,1,0,0|2,0,1]=4 30 B11R1.193 COC[C@H]1CCCN1C(=O)C AIFCHEM-5942050058 [0,0,0,1,0,0|2,0,1]=4 31 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [2,0,0,0,0,0|2,0,0]=4 32 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [2,0,0,0,0,0|2,0,0]=4 33 B10R0.75 CCCCCCN(C)C(=O)C AIFCHEM-94535595676 [1,1,0,0,0,0|1,0,0]=3 34 B10R0.78 CCCNC(C)COC(=O)C AIFCHEM-94599171235 [1,1,0,0,0,0|2,0,0]=4 35 B12R0.184 CCC(F)CNCCCSC(=O)C AIFCHEM-94560860670 [0,2,0,0,0,0|1,0,1]=4 36 B12R0.248 CCCCCNCCNC(=O)CC AIFCHEM-94532522439 [0,2,0,0,0,0|1,0,1]=4 37 B12R0.248 CCCCOCCCNC(=O)CC AIFCHEM-94526503265 [0,2,0,0,0,0|1,0,1]=4 38 B12R0.255 CCCCCCC(=O)NCC(=O)C AIFCHEM-94521991303 [0,2,0,0,0,0|0,0,1]=3 39 B12R0.255 CCCCCNC(=O)CCC(=O)C AIFCHEM-94522657637 [0,2,0,0,0,0|1,0,1]=4 40 B12R0.255 CCCCCNC(C)CNC(=O)C AIFCHEM-94552822998 [0,2,0,0,0,0|1,0,1]=4 41 B12R0.234 C#CCCCCCCCNC(=O)C AIFCHEM-94595540648 [0,2,0,0,0,0|1,0,1]=4 42 B12R0.234 CCCCNCCCCOC(=O)C AIFCHEM-5751697092 [0,2,0,0,0,0|0,0,2]=4 43 B12R0.234 COCCNCCCCOC(=O)C AIFCHEM-6016340997 [0,2,0,0,0,0|1,0,1]=4 44 B12R0.268 CC(=O)SCCCNCCC(C)C AIFCHEM-94560868321 [0,2,0,0,0,0|1,0,1]=4 45 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.18 CC(=O)NC1CCSCC1 AIFCHEM-94535594005 [1,0,0,1,0,0|2,0,0]=4 47 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.39 CCC1CCCN1C(=O)C AIFCHEM-5851100903 [1,0,0,1,0,0|1,0,0]=3 50 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [1,0,0,1,0,0|1,0,0]=3 51 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [1,0,0,1,0,0|2,0,0]=4 53 B12R1.7 CCCCCNc1cc(n[nH]1)C AIFCHEM-94551431005 [0,1,0,1,0,0|2,0,0]=4 54 B12R1.7 CCCCCNc1cnc(s1)C AIFCHEM-94551438205 [0,1,0,1,0,0|1,1,0]=4 55 B12R1.7 CCCCCNc1ncc(s1)C AIFCHEM-94551436403 [0,1,0,1,0,0|1,1,0]=4 56 B12R1.7 CCCCNCC1CNC(=O)C1 AIFCHEM-94523031470 [0,1,0,1,0,0|1,0,1]=4 57 B12R1.7 CCCCNCc1cc([nH]n1)C AIFCHEM-94570972679 [0,1,0,1,0,0|2,0,0]=4 58 B12R1.7 CCCCNCc1ccc(s1)C AIFCHEM-5736265191 [0,1,0,1,0,0|0,1,1]=4 59 B12R1.7 CCCCNCc1cnc(o1)C AIFCHEM-94570975509 [0,1,0,1,0,0|1,0,1]=4 60 B12R1.7 CCCCNCc1csc(n1)C AIFCHEM-5744886639 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.107 CC(=O)NC(C)C1CCCCC1 AIFCHEM-94605351577 [0,1,0,1,0,0|1,0,1]=4 62 B12R1.107 CC(=O)N[C@@H](C)C1CCCCC1 AIFCHEM-5845656197 [0,1,0,1,0,0|1,0,1]=4 63 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 AIFCHEM-94605354533 [0,1,0,1,0,0|1,0,1]=4 64 B12R1.390 CC(=O)SCCCNCC1CC1 AIFCHEM-94592472939 [0,1,0,1,0,0|1,0,1]=4 65 B12R1.27 COC(=O)CNC1CCCCC1 AIFCHEM-94601795234 [0,1,0,1,0,0|1,0,1]=4 66 B12R1.1009 CC(=O)NC1C(CCCC1C)C AIFCHEM-94535598732 [0,1,0,1,0,0|1,0,1]=4 67 B12R1.257 CC(=O)NCCCNC1CCC1 AIFCHEM-94576053617 [0,1,0,1,0,0|1,0,1]=4 68 B12R1.257 CC(=O)OCCNCC1CCC1 AIFCHEM-5671837161 [0,1,0,1,0,0|1,0,1]=4 69 B12R1.252 CC(=O)NCCC1CCOCC1 AIFCHEM-94605352751 [0,1,0,1,0,0|1,0,1]=4 70 B12R1.255 CC(=O)NCCNC1CCCC1 AIFCHEM-94541516921 [0,1,0,1,0,0|1,0,1]=4 71 B12R1.324 CCCNC1CCC1OC(=O)C AIFCHEM-94521367578 [0,1,0,1,0,0|1,0,1]=4 72 B12R2.1365 CC(=O)N1C2CCCC1CC2 AIFCHEM-94605355371 [0,0,0,2,0,0|1,0,1]=4