0 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,0,0,0,0,0|1,0,0]=1 1 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,0,0,0,0,0|1,0,0]=1 3 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CCCCCC(C)=O BBL011381 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.4 CCCOCC(=O)O BBL008506 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,0,0,0,0,0|0,0,2]=3 8 B7R0.4 NCCCCC(=O)O BBL027702 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.5 CC(=O)N(C)CCO BBL003665 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.5 CCNC(=O)C(=O)O BBL005118 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.7 CC(C)CNC(=O)C(=O)O BBL005588 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.8 CCCCN(C)C(=O)CCl BBL006028 [0,1,0,0,0,0|2,0,0]=3 13 B9R0.8 COC(=O)C(N)CCSC BBL010083 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.13 CCCCC(CC)C(=O)Cl BBL011414 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.42 CCC(C)NC(=O)C(=O)O BBL000518 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.47 CCNCCC(N)C(=O)O BBL009900 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.47 NCCCCC(N)C(=O)O BBL002414 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.6 O=C(Cl)N1CCOCC1 BBL027926 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 O=C(O)C1CC(O)CN1 BBL001541 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.35 O=C1CCC(C(=O)O)N1 BBL011576 [0,0,0,1,0,0|2,0,1]=4 23 B6R0.4 C=CCCC(=O)O BBL027458 [2,0,0,0,0,0|0,0,2]=4 24 B6R0.4 CC(=O)CCCCl BBL010617 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 CCCCC(=O)Cl BBL012216 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CCCCC(C)=O BBL011434 [2,0,0,0,0,0|0,0,1]=3 27 B6R0.4 CNCCC(N)=O BBL023425 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 NCCCC(=O)O BBL008590 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.4 O=C(Cl)CCCCl BBL011409 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.6 CCCCCCBr BBL012217 [2,0,0,0,0,0|1,0,1]=4 31 B6R0.6 CCCCCCI BBL011465 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.6 CCCCCCN BBL011106 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.6 CCCCN=C=O BBL027371 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.6 CCCCOC=O BBL012218 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.3 CCC(Br)C(=O)O BBL011564 [2,0,0,0,0,0|1,0,0]=3 36 B6R0.3 CCC(N)C(=O)O BBL012213 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.3 CNC(C)C(=O)O BBL022510 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [2,0,0,0,0,0|0,0,2]=4 39 B6R0.3 NC(CO)C(=O)O BBL012102 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 NC(CS)C(=O)O BBL012104 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.11 CCCCC(C=O)CC BBL010642 [1,1,0,0,0,0|0,0,0]=2 42 B8R0.25 C#CC(C)(O)CCCC BBL028010 [1,1,0,0,0,0|1,0,1]=4 43 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [1,1,0,0,0,0|1,0,1]=4 44 B8R0.7 CCCCCCC(C)=O BBL011429 [1,1,0,0,0,0|1,0,0]=3 45 B8R0.7 CCCNCCC(N)=O BBL024551 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.7 O=C(O)CCCCCBr BBL012109 [1,1,0,0,0,0|0,0,0]=2 47 B8R0.28 CN(C)CCCC(=O)O BBL011871 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.2 CCC(C)C(N)C(=O)O BBL100034 [1,1,0,0,0,0|1,0,0]=3 49 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BBL033474 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.23 CC(=O)NC(C)C(=O)O BBL007614 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [1,1,0,0,0,0|2,0,0]=4 52 B10R0.82 COC(=O)CCC(N)C(=O)O BBL019361 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.83 [C@H](N)(CCCCN)C(=O)OC BBL010918 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.75 CCCCCCC(N)C(=O)O BBL010495 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.5 CC1CCCCC1=O BBL011421 [1,0,0,1,0,0|0,0,0]=2 56 B8R1.5 O=C1CCCCC1Cl BBL011103 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.5 OC1CCCCC1O BBL027442 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.4 CC1CCCC(=O)C1 BBL013179 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.7 NC(=O)C1CCCN1 BBL010815 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.7 O=C(O)C1CCCO1 BBL001404 [1,0,0,1,0,0|1,0,0]=3 61 B8R1.7 O=C(O)C1NCCS1 BBL034715 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.23 C=C1CC(C(=O)O)C1 BBL104102 [1,0,0,1,0,0|0,0,2]=4 63 B8R1.23 O=C1CC(C(=O)O)C1 BBL011270 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.78 NC1(C(=O)O)CCC1 BBL001782 [1,0,0,1,0,0|1,0,0]=3 65 B10R1.18 NC(=O)NC1CCCCC1 BBL002996 [0,0,0,1,0,1|1,0,0]=3 66 B10R1.18 O=C(O)CN1CCCCC1 BBL013220 [0,0,0,1,0,1|1,0,0]=3 67 B10R1.18 O=C(O)CN1CCOCC1 BBL001428 [0,0,0,1,0,1|2,0,0]=4 68 B10R1.18 O=C(O)CN1CCSCC1 BBL018071 [0,0,0,1,0,1|2,0,0]=4 69 B10R1.18 S=C([S-])NC1CCCCC1 BBL033928 [0,0,0,1,0,1|0,2,0]=4 70 B10R1.23 O=C(O)C(=O)N1CCCC1 BBL022583 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.34 O=C1OC(CO)C(O)C1O BBL033487 [0,1,0,1,0,0|2,0,0]=4 72 B10R1.58 CN1CC(C(=O)O)CC1=O BBL009745 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.349 CC(=O)N1CC(C(=O)O)C1 BBL036558 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BBL012835 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.15 CNC(=O)C1CCCCN1 BBL031505 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.15 NNC(=O)C1CCCCC1 BBL014284 [0,1,0,1,0,0|1,0,0]=3 77 B10R1.113 NC1CCCC(C(=O)O)C1 BBL028080 [0,1,0,1,0,0|0,0,0]=2 78 B10R1.118 CC1CN(C)C(C)CC1=O BBL012984 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.363 NC1(C(=O)O)CCCCC1 BBL001486 [0,1,0,1,0,0|0,0,0]=2