0 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.8 CNCCC(=O)N(C)C BBL031686 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 CCCCC(=O)CC BBL011476 [1,0,0,0,0,0|0,0,1]=2 7 B7R0.3 CCCCC(=O)NN BBL027902 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.3 CCOCC(=O)NN BBL023356 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.3 CNC(=O)CCCN BBL022745 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.3 CNCCC(=O)NC BBL023441 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 COC(=O)CCCCl BBL011535 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.3 NNC(=O)CCCO BBL009673 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 CCCCCC(C)=O BBL011381 [1,0,0,0,0,0|0,0,1]=2 14 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.4 CCCOCC(=O)O BBL008506 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.4 NCCCCC(=O)O BBL027702 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 C=C(C)C(=O)OCC BBL011403 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.5 CC(=O)N(C)CCO BBL003665 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.5 CCNC(=O)C(=O)O BBL005118 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.5 CCOC(=O)C(C)=O BBL027737 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 CCOC(=O)C(N)=O BBL013006 [1,0,0,0,0,0|2,0,0]=3 24 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [1,0,0,0,0,0|1,0,2]=4 25 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [0,1,0,0,0,0|2,0,0]=3 26 B9R0.7 CC(C)CNC(=O)C(=O)O BBL005588 [0,1,0,0,0,0|2,0,0]=3 27 B9R0.7 O=C(O)CCC(=O)C(=O)O BBL010614 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.8 CCCCN(C)C(=O)CCl BBL006028 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.8 COC(=O)C(N)CCSC BBL010083 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.13 CCCCC(CC)C(=O)Cl BBL011414 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.42 CCC(C)NC(=O)C(=O)O BBL000518 [0,1,0,0,0,0|2,0,0]=3 32 B9R0.47 C=C(C)C(=O)OCCCC BBL011464 [0,1,0,0,0,0|1,0,0]=2 33 B9R0.47 CCNCCC(N)C(=O)O BBL009900 [0,1,0,0,0,0|2,0,1]=4 34 B9R0.47 NCCCCC(N)C(=O)O BBL002414 [0,1,0,0,0,0|2,0,1]=4 35 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [0,0,0,1,0,0|2,0,1]=4 37 B9R0.4 C=CCOC(=O)CC(C)=O BBL011433 [0,0,0,0,0,1|1,0,2]=4 38 B9R0.4 CCCOC(=O)N[N+](=O)[O-] BBL000845 [0,0,0,0,0,1|3,0,0]=4 39 B9R0.4 CNCCC(=O)NC(C)C BBL031766 [0,0,0,0,0,1|2,0,1]=4 40 B6R0.1 C=CC(=O)OCC BBL011497 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.1 CNCC(=O)NC BBL030504 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 COC(=O)CCBr BBL027291 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 COC(=O)CCN BBL010085 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CC(=O)CCCCl BBL010617 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CC(=O)NCCN BBL027688 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CCCCC(=O)Cl BBL012216 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.4 CCCCC(C)=O BBL011434 [2,0,0,0,0,0|0,0,0]=2 48 B6R0.4 CNCCC(N)=O BBL023425 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 NCCCC(=O)O BBL008590 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.4 O=C(Cl)CCCCl BBL011409 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.6 CCCCN=C=O BBL027371 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.6 CCCCOC=O BBL012218 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.3 COC(=O)C(C)=O BBL027724 [2,0,0,0,0,0|1,0,0]=3 54 B8R0.1 CCOC(=O)CCCCl BBL011514 [1,1,0,0,0,0|1,0,1]=4 55 B8R0.6 CCCCCC(=O)CC BBL011431 [1,1,0,0,0,0|0,0,1]=3 56 B8R0.6 CCCCCC(=O)NN BBL014328 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.9 CC(O)CCC(=O)NN BBL018741 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.9 COC(=O)CCC(C)=O BBL011529 [1,1,0,0,0,0|1,0,1]=4 59 B8R0.11 CCCCC(C=O)CC BBL010642 [1,1,0,0,0,0|0,0,2]=4 60 B8R0.19 CCC(=O)CC(C)CC BBL011426 [1,1,0,0,0,0|0,0,1]=3 61 B8R0.7 CCCCCCC(C)=O BBL011429 [1,1,0,0,0,0|0,0,1]=3 62 B8R0.7 CCCNCCC(N)=O BBL024551 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.7 CCCS\C=C/C(=O)[O-] BBL033998 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.7 O=C(O)CCCCCBr BBL012109 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.23 CC(C)NC(=O)C(=O)O BBL000516 [1,1,0,0,0,0|2,0,0]=4 67 B10R0.6 CCCCNC(=O)CC(C)=O BBL002822 [0,1,0,0,0,1|0,0,0]=2 68 B10R0.6 COCCOC(=O)CC(C)=O BBL009724 [0,1,0,0,0,1|1,0,0]=3 69 B10R0.32 CCOC(=O)C(=O)CC(C)=O BBL027738 [0,1,0,0,0,1|1,0,1]=4 70 B10R0.82 C=C(C)C(=O)OCC(O)CCl BBL027949 [0,2,0,0,0,0|2,0,0]=4 71 B10R0.83 [C@H](N)(CCCCN)C(=O)OC BBL010918 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.67 CCC(C)(C)NC(=O)C(=O)O BBL003764 [0,2,0,0,0,0|2,0,0]=4 73 B10R0.72 CCC(CC)NC(=O)C(=O)O BBL008492 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.5 CC1CCCCC1=O BBL011421 [1,0,0,1,0,0|0,0,1]=3 75 B8R1.5 O=C1CCCCC1Cl BBL011103 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.22 NC1=NCCCCC1 BBL012958 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.22 O=C1CCCCCO1 BBL011394 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.38 NNC(=O)C1CCC1 BBL037010 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.4 CC1CCCC(=O)C1 BBL013179 [1,0,0,1,0,0|0,0,1]=3 80 B10R1.23 O=C(O)C(=O)N1CCCC1 BBL022583 [0,1,0,1,0,0|1,0,0]=3 81 B10R1.205 C=C(C)C(=O)OCC1CO1 BBL010914 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.15 CNC(=O)C1CCCCN1 BBL031505 [0,1,0,1,0,0|1,0,1]=4 83 B10R0.78 CCCNC(=O)CCC(=O)O BBL036036 [0,0,0,0,0,2|2,0,0]=4