0 B6R0.4 CCCN[N+](=O)[O-] 22283 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 N#CCC(N)=O 462 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 O=C(O)\C=C\I 103159 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.2 C#CCCCO 102448 [1,0,0,0,0,0|0,0,3]=4 4 B7R0.3 C=CC(C)CCCC 102712 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.4 C=C(F)CCCCO 102348 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.4 C=CCCCC(=O)O 102353 [0,1,0,0,0,0|0,0,1]=2 7 B7R0.4 CCO\C=C\C(=O)O 103160 [0,1,0,0,0,0|0,0,2]=3 8 B7R0.4 O=[N+]([O-])OCCCBr 22206 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.5 CO\C=C(/C)C(=O)O 101484 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.5 CO\C=C(\F)C(=O)O 102681 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.6 CC(C)=CCC(=O)O 16792 [0,1,0,0,0,0|0,0,2]=3 12 B7R0.6 CC(C)\C=C\C(=O)O 16790 [0,1,0,0,0,0|0,0,2]=3 13 B7R1.3 FC1CCCCC1 102292 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.3 O=C1C=CCCC1 19980 [0,0,0,1,0,0|1,0,1]=3 15 B4R0.1 NCC(=O)O 21671 [2,0,0,0,0,0|1,0,0]=3 16 B4R0.2 C\C=C/CO 102650 [2,0,0,0,0,0|0,0,2]=4 17 B4R0.2 NCCCN 21368 [2,0,0,0,0,0|2,0,0]=4 18 B4R0.2 NCCCN 21721 [2,0,0,0,0,0|2,0,0]=4 19 B4R0.2 NCCCN 21741 [2,0,0,0,0,0|2,0,0]=4 20 B4R0.2 NCCCN 22243 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.5 O=P(O)(O)CCBr 21405 [1,1,0,0,0,0|2,0,0]=4 22 B6R0.6 C\C=C/CCCO 102707 [1,1,0,0,0,0|0,0,2]=4 23 B8R0.2 CCC(=O)C(C)C(C)=O 16753 [0,2,0,0,0,0|1,0,1]=4 24 B8R0.23 CC(=O)CC(=O)C(C)C 16776 [0,2,0,0,0,0|1,0,1]=4 25 B8R0.6 CCCCCC(O)CF 100185 [0,2,0,0,0,0|1,0,1]=4 26 B8R0.6 CCN\C=C\C(=O)OC 13304 [0,2,0,0,0,0|0,0,2]=4 27 B8R0.6 COC(=O)CCCCO 102453 [0,2,0,0,0,0|0,0,0]=2 28 B8R0.9 COC(=O)CNC(C)=O 22216 [0,2,0,0,0,0|1,0,1]=4 29 B8R0.7 C=C(C)COCCCC 102301 [0,2,0,0,0,0|2,0,0]=4 30 B8R0.7 C=CCCCOC(C)=O 102329 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.7 CCCC\C=C\C(=O)O 16793 [0,2,0,0,0,0|0,0,0]=2 32 B8R0.7 CCCC\C=C\C(=O)[O-] 12809 [0,2,0,0,0,0|0,0,1]=3 33 B8R0.28 C=C(F)CCCC(=O)O 102358 [0,2,0,0,0,0|0,0,1]=3 34 B8R0.28 CC(C)\C=C\CC(=O)O 16794 [0,2,0,0,0,0|0,0,1]=3 35 B8R0.28 O=C(O)CCCC(=O)O 20751 [0,2,0,0,0,0|0,0,1]=3 36 B8R0.28 O=C(O)CCO[N+](=O)[O-] 21982 [0,2,0,0,0,0|2,0,0]=4 37 B6R1.2 O=C1C=CCC1 16113 [1,0,0,1,0,0|1,0,1]=4 38 B6R1.2 OC1=NNCC1 20904 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.1 O=C1CC[C@H](CBr)N1 22002 [0,1,0,1,0,0|1,0,0]=3 40 B8R1.1 O=C1CC[C@H](CBr)O1 21988 [0,1,0,1,0,0|0,0,0]=2 41 B8R1.1 O=S1OCC(CF)O1 9970 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.1 [NH3+]C[C@H]1CCC(=O)O1 21998 [0,1,0,1,0,0|0,0,0]=2 43 B8R1.4 CC1=CC(=O)CCC1 19984 [0,1,0,1,0,0|1,0,0]=3 44 B8R1.4 O=C1C=C(O)CCC1 19981 [0,1,0,1,0,0|1,0,1]=4 45 B8R1.2 ON=C1CCCCC1 19847 [0,1,0,1,0,0|1,0,0]=3 46 B8R1.3 CC1=CCC(=O)CC1 102607 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.5 NC1CCCCC1O 19764 [0,1,0,1,0,0|1,0,1]=4 48 B8R1.5 O[C@@H]1CCCC[C@H]1Cl 19437 [0,1,0,1,0,0|1,0,1]=4 49 B8R1.5 O[C@@H]1CCCC[C@H]1O 19322 [0,1,0,1,0,0|0,0,2]=4 50 B8R1.5 O[C@H]1CCCC[C@@H]1O 19323 [0,1,0,1,0,0|0,0,2]=4 51 B8R1.5 O[C@H]1CCCC[C@H]1O 19324 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.50 CC1=CCC(C)C1=O 16114 [0,1,0,1,0,0|1,0,1]=4