0 B8R0.1 CC#CC(=O)NCCF AIFCHEM-5800826261 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.1 CCCNC(=O)COC AIFCHEM-5791287162 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 CCNCC(=O)NC AIFCHEM-94562545297 [1,0,0,0,0,0|2,0,0]=3 6 B9R0.4 CCSCC(=O)NC(C)C AIFCHEM-94580213217 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.5 CCNCCC(=O)OCC AIFCHEM-94537421553 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.5 CSCCNC(=O)CSC AIFCHEM-94598929502 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.8 CCCNC(=O)C(O)CC AIFCHEM-94521379481 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.8 CCCNC(=O)[C@@H](O)CC AIFCHEM-94521377603 [0,1,0,0,0,0|1,0,2]=4 11 B9R0.8 CCCNC(=O)[C@H](O)CC AIFCHEM-5875554985 [0,1,0,0,0,0|1,0,2]=4 12 B9R0.8 CCNCC(=O)N(C)OC AIFCHEM-94537423152 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.8 CCOCC(=O)N(C)CC AIFCHEM-6119348986 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.18 C/C=C/CC(=O)NCCF AIFCHEM-5871337255 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.18 CCCCC(=O)NCCC AIFCHEM-94534100132 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.18 CCCCC(=O)NCCF AIFCHEM-94534108252 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.18 COCCC(=O)NCCF AIFCHEM-5871204007 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.34 CCOC(=O)CN(C)CC AIFCHEM-94537422442 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.35 CCNC(=O)[C@H](C)NCC AIFCHEM-94595326854 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.12 CCNCc1ccco1 AIFCHEM-94594829503 [0,0,0,1,0,0|1,0,2]=4 21 B9R1.73 COCC(=O)N1CCC1 AIFCHEM-6043254173 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.73 CSCC(=O)N1CCC1 AIFCHEM-5997495404 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.75 CSCC(=O)NC1CC1 AIFCHEM-6145693473 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.100 CCCNC(=O)C1CC1 AIFCHEM-94521375323 [0,0,0,1,0,0|1,0,2]=4 25 B8R0.19 CCN(C)CC(=O)NC AIFCHEM-94537421740 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.19 CCN(C)CC(=O)OC AIFCHEM-94537414707 [1,1,0,0,0,0|2,0,0]=4 27 B10R0.6 CCCNCC(=O)NC(C)C AIFCHEM-94530808171 [0,2,0,0,0,0|1,0,1]=4 28 B10R0.18 CCCCC(=O)NC(C)CF AIFCHEM-94534112526 [0,2,0,0,0,0|1,0,1]=4 29 B10R0.18 CCCCC(=O)N[C@@H](C)CF AIFCHEM-94534108244 [0,2,0,0,0,0|1,0,1]=4 30 B10R0.18 CCCCC(=O)N[C@H](C)CF AIFCHEM-94534106412 [0,2,0,0,0,0|1,0,1]=4 31 B10R0.96 CC(C)CCC(=O)NC(C)C AIFCHEM-94520550426 [0,2,0,0,0,0|1,0,1]=4 32 B10R0.1 CCCCNCC(=O)NCC AIFCHEM-94523039937 [0,2,0,0,0,0|1,0,1]=4 33 B10R0.1 CCSCCNC(=O)COC AIFCHEM-6081902451 [0,2,0,0,0,0|1,0,1]=4 34 B10R0.2 CCCC(C)NC(=O)CSC AIFCHEM-94560480694 [0,2,0,0,0,0|1,0,1]=4 35 B10R0.2 CCC[C@@H](C)NC(=O)CSC AIFCHEM-6086409625 [0,2,0,0,0,0|1,0,1]=4 36 B10R0.2 CCC[C@H](C)NC(=O)CSC AIFCHEM-5590498300 [0,2,0,0,0,0|1,0,1]=4 37 B10R0.2 CCNC(C)CC(=O)OCC AIFCHEM-94537422484 [0,2,0,0,0,0|1,0,1]=4 38 B10R0.2 CCN[C@@H](C)CC(=O)OCC AIFCHEM-94537417390 [0,2,0,0,0,0|1,0,1]=4 39 B10R0.3 CSCC(=O)NCCC(C)C AIFCHEM-6098985804 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.19 CCCNC(C)C(=O)OCC AIFCHEM-94569020664 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.19 CCCN[C@@H](C)C(=O)NCC AIFCHEM-94569021810 [0,2,0,0,0,0|1,0,1]=4 42 B10R0.19 CCCN[C@@H](C)C(=O)OCC AIFCHEM-94569009310 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.19 CCCN[C@H](C)C(=O)OCC AIFCHEM-94569020921 [0,2,0,0,0,0|1,0,1]=4 44 B10R0.91 CC#CCNC(=O)C/C=C/C AIFCHEM-5694642233 [0,2,0,0,0,0|0,0,2]=4 45 B10R0.91 CCCCC(=O)NCCC#N AIFCHEM-94534103394 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.91 CCCCC(=O)NCCOC AIFCHEM-94534100236 [0,2,0,0,0,0|0,0,2]=4 47 B10R0.91 CCCCC(=O)NCCSC AIFCHEM-94534104594 [0,2,0,0,0,0|0,0,2]=4 48 B10R0.91 CCCCNC(=O)C#CCO AIFCHEM-5726154354 [0,2,0,0,0,0|0,0,2]=4 49 B10R0.91 CCCCNC(=O)CCSC AIFCHEM-5695482106 [0,2,0,0,0,0|0,0,2]=4 50 B10R0.108 CCC(F)CNC(=O)COC AIFCHEM-5870225166 [0,2,0,0,0,0|1,0,1]=4 51 B10R0.108 CCOC(=O)CCN(C)CC AIFCHEM-94537418590 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.46 CCC(C)CC(=O)N(C)CC AIFCHEM-94563261739 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.46 CC[C@H](C)CC(=O)N(C)CC AIFCHEM-94563264347 [0,2,0,0,0,0|1,0,1]=4 54 B10R0.78 CCCNC(=O)CNC(=O)C AIFCHEM-5815297073 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.78 CCCOC(=O)CNC(=O)C AIFCHEM-94602837602 [0,2,0,0,0,0|1,0,1]=4 56 B10R0.78 CSCCC(=O)NCC(=O)C AIFCHEM-6039541071 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.16 CCCNc1ccn(n1)C AIFCHEM-94569014544 [0,1,0,1,0,0|2,0,0]=4 58 B10R1.16 CCCNc1cnc(s1)C AIFCHEM-94569023764 [0,1,0,1,0,0|1,1,0]=4 59 B10R1.16 CCNCc1cc(on1)C AIFCHEM-94537411791 [0,1,0,1,0,0|1,0,1]=4 60 B10R1.16 CCNCc1csc(n1)C AIFCHEM-94537413284 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.180 CCCCC(=O)NC1CC1 AIFCHEM-94534110938 [0,1,0,1,0,0|0,0,2]=4 62 B10R1.21 CCCCNc1ccon1 AIFCHEM-94523033139 [0,1,0,1,0,0|2,0,0]=4 63 B10R1.21 CCCCNc1ccsc1 AIFCHEM-94523038276 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.21 CCCNCc1ccno1 AIFCHEM-94569018772 [0,1,0,1,0,0|1,0,1]=4 65 B10R1.21 CCNCCc1cc[nH]n1 AIFCHEM-94537414967 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.29 CCCNC1CCNC1=O AIFCHEM-94569009858 [0,1,0,1,0,0|1,0,1]=4 67 B10R1.29 CCCN[C@@H]1CCNC1=O AIFCHEM-94577677174 [0,1,0,1,0,0|1,0,1]=4 68 B10R1.29 CCCN[C@H]1CCNC1=O AIFCHEM-94569020011 [0,1,0,1,0,0|1,0,1]=4 69 B10R1.136 CC#CC(=O)N[C@@H]1C[C@H]1C AIFCHEM-94559019053 [0,1,0,1,0,0|0,0,2]=4 70 B10R1.139 COCC(=O)N1CC[C@@H]1C AIFCHEM-5744895297 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.139 COCC(=O)N1CC[C@H]1C AIFCHEM-6231289902 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.197 CCN1CCNC(=O)CC1 AIFCHEM-94537418113 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.178 CCCNC(=O)C1CCC1 AIFCHEM-94572522296 [0,1,0,1,0,0|0,0,2]=4