0 B9R0.1 C=CC(OCCN(C)C)=O M10043973P [0,0,0,0,0,0|1,0,2]=3 1 B8R0.6 CCCCCC([O-])CC M10026061P [1,0,0,0,0,0|1,0,2]=4 2 B8R0.6 O=C(OC)CCCCCl M10129961P [1,0,0,0,0,0|3,0,0]=4 3 B8R0.6 O=C(OCCCC)CCl M10014991P [1,0,0,0,0,0|1,0,0]=2 4 B8R0.6 O=C(OCCCC)CO M10104696P [1,0,0,0,0,0|1,0,0]=2 5 B8R0.7 CC(C)CCCCCO M12278016P [1,0,0,0,0,0|2,0,1]=4 6 B8R0.7 CC(O)CCCCCC M10060290P [1,0,0,0,0,0|2,0,1]=4 7 B8R0.7 C[C@@H](O)CCCCCC M10082518P [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 C[C@H](O)CCCCCC M10084602P [1,0,0,0,0,0|2,0,1]=4 9 B8R0.28 CC(CCC=C(C)C)=O M10003758P [1,0,0,0,0,0|1,0,2]=4 10 B8R0.28 CC(OCC=C(C)C)=O M10028659P [1,0,0,0,0,0|0,0,2]=3 11 B8R0.28 NC(C)CCCC(C)C M10013728P [1,0,0,0,0,0|2,0,1]=4 12 B8R0.28 O=C(O)CCCN(C)C M10436635P [1,0,0,0,0,0|3,0,0]=4 13 B10R0.3 C=C(C)CCCC(OCC)=O M10239653P [0,1,0,0,0,0|1,0,2]=4 14 B10R0.3 CC(C)CCCC(C)CCBr M10053929P [0,1,0,0,0,0|2,0,1]=4 15 B10R0.3 O=C(OCC)CCNC(C)C M10141409P [0,1,0,0,0,0|2,0,0]=3 16 B10R0.59 CCC(OCOC(CC)=O)=O M10055917P [0,1,0,0,0,0|2,0,1]=4 17 B10R0.60 C[N+](C)(CCOC(C=C)=O)C M10251100P [0,1,0,0,0,0|1,0,2]=4 18 B10R0.60 O=C(OC)CCC[N+](C)(C)C M10122157P [0,1,0,0,0,0|3,0,0]=4 19 B10R1.13 O=C1CCC(C(C)C)CC1 M10074366P [0,0,0,1,0,0|1,0,0]=2 20 B10R1.13 O=C1CCN(C(C)C)CC1 M10072037P [0,0,0,1,0,0|2,0,0]=3 21 B10R1.13 OC1CCC(C(C)C)CC1 M10064861P [0,0,0,1,0,0|1,0,2]=4 22 B10R1.14 O=C(C1CC(N)CC1)OC M10142186P [0,0,0,1,0,0|3,0,0]=4 23 B8R0.9 C=CC(OCC(O)C)=O M10024755P [0,0,0,0,1,0|1,0,2]=4 24 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,0,0,0,1,0|2,0,1]=4 25 B7R0.1 CCCCOCCCl M10115661P [2,0,0,0,0,0|1,0,1]=4 26 B7R0.3 O=C(OC)CCCN M10119950P [2,0,0,0,0,0|2,0,0]=4 27 B7R0.3 O=C(OCCC)CBr M10226573P [2,0,0,0,0,0|1,0,0]=3 28 B7R0.4 CC(CCCCBr)=O M10113189P [2,0,0,0,0,0|2,0,0]=4 29 B7R0.4 CC(N)CCCCC M10004600P [2,0,0,0,0,0|1,0,1]=4 30 B7R0.4 CC(OCCOC)=O M10003718P [2,0,0,0,0,0|1,0,0]=3 31 B7R0.4 CCCCCC(Cl)=O M10005436P [2,0,0,0,0,0|2,0,0]=4 32 B7R0.4 O=C(Cl)OCCCCl M10016962P [2,0,0,0,0,0|2,0,0]=4 33 B7R0.4 O=C(N)NCCCC M10195780P [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 O=C(N)NCCCC M10200467P [2,0,0,0,0,0|2,0,0]=4 35 B9R0.5 O=C(OCCCC)CC#N M10076065P [1,1,0,0,0,0|0,0,1]=3 36 B9R0.8 CCCCC(Br)C(OC)=O M10064420P [1,1,0,0,0,0|2,0,0]=4 37 B9R0.8 CCCCC(Br)C(OC)=O M10437847P [1,1,0,0,0,0|2,0,0]=4 38 B9R0.24 SCC(OCC(CO)O)=O M10210839P [1,1,0,0,0,0|2,0,0]=4 39 B9R0.34 CCC(OC(C)COC)=O M10772795P [1,1,0,0,0,0|1,0,0]=3 40 B9R0.34 CCCC(O)CC(OC)=O M10169115P [1,1,0,0,0,0|2,0,0]=4 41 B9R0.46 C=CC(OCCOCC)=O M10003373P [1,1,0,0,0,0|0,0,2]=4 42 B9R0.46 O=C(OC)CCCCCBr M10129964P [1,1,0,0,0,0|2,0,0]=4 43 B9R0.46 O=C(OC)CCCCCO M10064340P [1,1,0,0,0,0|2,0,0]=4 44 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [1,1,0,0,0,0|0,0,1]=3 45 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [1,1,0,0,0,0|0,0,0]=2 46 B9R0.48 CC(C)CCC(OCC)=O M10189485P [1,1,0,0,0,0|2,0,0]=4 47 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [1,1,0,0,0,0|2,0,0]=4 48 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [1,1,0,0,0,0|2,0,0]=4 49 B9R0.53 CC(C)CC(N)CC(O)=O M10056453P [1,1,0,0,0,0|2,0,0]=4 50 B11R0.180 O=C(SCC[N+](C)(C)C)CCC M10037301P [0,2,0,0,0,0|1,1,0]=4 51 B11R0.318 CC(C(OCC[N+](C)(C)C)=O)=C M10068257P [0,2,0,0,0,0|1,0,1]=4 52 B11R0.318 C[N+](C)(CCOC(C(C)=C)=O)C M10097002P [0,2,0,0,0,0|1,0,1]=4 53 B9R1.1 O=C1CCC(OC)CC1 M10124180P [1,0,0,1,0,0|2,0,0]=4 54 B9R1.1 O=C1NCC(CO)CC1 M10769348P [1,0,0,1,0,0|2,0,0]=4 55 B9R1.5 O=C1NCCCCC1N M10018058P [1,0,0,1,0,0|2,0,0]=4 56 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [1,0,0,1,0,0|2,0,0]=4 57 B9R1.11 ClCC(N1CCCC1)=O M10165063P [1,0,0,1,0,0|2,0,0]=4 58 B9R1.50 O=C1NCCCCCC1 M10018116P [1,0,0,1,0,0|1,0,0]=3 59 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [1,0,0,1,0,0|1,0,0]=3 60 B9R1.53 CC(OC1CC(C1)=O)=O M10397990P [1,0,0,1,0,0|1,0,1]=4 61 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [1,0,0,1,0,0|2,0,0]=4 62 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [1,0,0,1,0,0|1,0,0]=3 63 B9R1.10 O=C1C=CC(C)(C)CC1 M10026199P [0,0,0,1,1,0|0,0,2]=4 64 B9R1.82 O=C(C1CC(Cl)C1)OC M10139679P [0,0,0,1,1,0|2,0,0]=4 65 B9R1.82 O=C(C1CC(O)C1)OC M10067430P [0,0,0,1,1,0|2,0,0]=4 66 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC M10393173P [0,0,0,1,1,0|2,0,0]=4 67 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC M10393174P [0,0,0,1,1,0|2,0,0]=4 68 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,0,0,1,1,0|1,0,0]=3 69 B11R1.20 O=C1CCC(OC(C)C)CC1 M10435461P [0,0,0,1,0,1|1,0,0]=3 70 B11R2.533 C=C1[C@@H]2C[C@@H](C2(C)C)CC1 M10153803P [0,0,0,2,0,0|2,0,0]=4 71 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,0,0,0,1,0|2,0,0]=4 72 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,0,0,0,1,0|1,0,0]=3 73 B7R0.6 O=C(O)CCN(C)C M10133339P [1,0,0,0,1,0|2,0,0]=4 74 B7R0.2 CC(N)CC(OC)=O M10083532P [0,0,0,0,2,0|2,0,0]=4 75 B7R0.2 CC(O)CC(OC)=O M10031579P [0,0,0,0,2,0|2,0,0]=4 76 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,0,0,0,2,0|2,0,0]=4 77 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,0,0,0,2,0|2,0,0]=4 78 B7R0.2 O=C(NC(C)C)CN M10428027P [0,0,0,0,2,0|2,0,0]=4 79 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,0,0,0,2,0|1,0,0]=3 80 B7R0.2 OCC(OC(C)C)=O M10016659P [0,0,0,0,2,0|1,0,0]=3