0 B10R0.71 NCCCCNCCCCN A11493 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.45 CCCCOCCCCO S11917 [1,0,0,0,0,0|1,0,1]=3 2 B9R0.45 CCCOCCOCCO D97202 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.3 C#CCOCCCCCCCBr D81456 [0,1,0,0,0,0|2,0,1]=4 4 B11R0.3 CCCCCCCCCCNC A11532 [0,1,0,0,0,0|1,0,1]=3 5 B11R0.3 CCCCCCCCSCCO A10652 [0,1,0,0,0,0|0,0,2]=3 6 B11R0.3 CNCCCCCCCCNC D93197 [0,1,0,0,0,0|2,0,0]=3 7 B11R0.4 CCOC(=O)CCCCCC=O N10484 [0,1,0,0,0,0|1,0,1]=3 8 B11R0.40 COC(=O)CCCCCCC=O D94271 [0,1,0,0,0,0|1,0,1]=3 9 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [0,1,0,0,0,0|0,0,2]=3 10 B11R0.148 CCCC\C=C/CCOC(C)=O D93562 [0,1,0,0,0,0|1,0,2]=4 11 B11R0.148 NCCCCCCCCC(=O)O D94864 [0,1,0,0,0,0|1,0,0]=2 12 B11R0.148 O=C(O)CCOCCOCCBr S10585 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.4 NCCCCCN1CCCC1 C73117 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.17 O=C1COCCN1CCCBr 56755 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.26 O=CC1=C(Cl)CCCCCC1 59423 [0,0,0,1,0,0|1,0,2]=4 16 B11R1.28 BrCCCCC1CCNCC1 56722 [0,0,0,1,0,0|2,0,1]=4 17 B11R1.28 BrCCCCN1CCCCC1 AC7493 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.28 OCCCCC1CCCCC1 F53310 [0,0,0,1,0,0|0,0,2]=3 20 B11R1.28 OCCCCC1CCNCC1 67437 [0,0,0,1,0,0|1,0,2]=4 21 B11R1.28 OCCCCC1CCNCC1 67438 [0,0,0,1,0,0|1,0,2]=4 22 B11R1.28 OCCCC[C@H]1CCCCN1 31923 [0,0,0,1,0,0|1,0,2]=4 23 B11R1.203 N#CCCN1CCCCCC1 A12946 [0,0,0,1,0,0|2,0,1]=4 24 B8R0.4 C=CCCCCCC=O N11873 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.4 C=CCCCCCCI W11175 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.4 COCCCCCCBr S10679 [2,0,0,0,0,0|2,0,0]=4 27 B10R0.4 C=CCCCCCC[C@H](C)O W11241 [1,1,0,0,0,0|0,0,1]=3 28 B10R0.4 CC(=O)NCCCCCCN D93510 [1,1,0,0,0,0|2,0,0]=4 29 B10R0.4 O=C(O)CCCCCCCO S10749 [1,1,0,0,0,0|1,0,0]=3 30 B12R0.5 C#CCCCCCCCCCCO W16726 [0,2,0,0,0,0|0,0,2]=4 31 B12R0.5 CCOCCCCCCCCCO C12008 [0,2,0,0,0,0|0,0,2]=4 32 B12R0.5 OCCCCCCCCCCCS C76355 [0,2,0,0,0,0|0,0,2]=4 33 B12R0.206 CCCCCCO[C@@H](C)CCCC A11150 [0,2,0,0,0,0|1,0,1]=4 34 B12R0.234 C=CCCCCCCCCC(=O)[O-] C75615 [0,2,0,0,0,0|0,0,1]=3 35 B12R0.234 CC(=O)NCCCNCCCCN 28022 [0,2,0,0,0,0|2,0,0]=4 36 B12R0.234 CCCCCCCCCCC(N)=O Y14687 [0,2,0,0,0,0|0,0,0]=2 37 B12R0.234 COCCOCCOCCC(=O)O W13677 [0,2,0,0,0,0|2,0,0]=4 38 B12R0.248 COC(=O)CCCCCCCC=O S10595 [0,2,0,0,0,0|0,0,1]=3 39 B12R0.4 CCCCCCC[C@H](O)CC(=O)O A10886 [0,2,0,0,0,0|0,0,0]=2 40 B12R0.277 CCOC(=O)CCCCCC(=O)Cl T70303 [0,2,0,0,0,0|1,0,1]=4 41 B12R0.277 CCOC(=O)CCCCCC(C)=O A11116 [0,2,0,0,0,0|1,0,1]=4 42 B12R0.251 CCCCCCCC[C@H](N)C(=O)O W18677 [0,2,0,0,0,0|0,0,0]=2 43 B12R0.233 CCCCCC(=O)CCCC(=O)O Y13481 [0,2,0,0,0,0|0,0,1]=3 44 B12R0.119 CCCCCCCCOP(=O)(O)O N11880 [0,2,0,0,0,0|2,0,0]=4 45 B12R0.268 CC(C)CCCCCCCC(=O)O A11263 [0,2,0,0,0,0|0,0,0]=2 46 B12R0.268 NC(=O)CCCCCCCC(=O)O D97249 [0,2,0,0,0,0|1,0,1]=4 47 B10R1.4 N#CC[C@H]1CCCCC1=O W15284 [1,0,0,1,0,0|1,0,1]=4 48 B10R1.17 BrCCOC1CCCCC1 C77571 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.17 CCCCC1CCNCC1 25962 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.17 COCC[C@H]1CCCCN1 C71587 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.17 OCCC[C@H]1CCCCN1 59724 [1,0,0,1,0,0|1,0,1]=4 52 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [1,0,0,1,0,0|1,0,1]=4 53 B10R1.78 O=C1CCCCCCCC1 AC8766 [1,0,0,1,0,0|0,0,0]=2 54 B10R1.78 O=C1CCCCCCCN1 D74918 [1,0,0,1,0,0|1,0,0]=3 55 B10R1.85 NCCN1CCCCCC1 52073 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.161 O=CC1CCCCCCC1 59424 [1,0,0,1,0,0|0,0,0]=2 57 B12R1.8 OCCCCCN1CCCCC1 T72240 [0,1,0,1,0,0|0,0,2]=4 58 B12R1.18 N#CCCN1CCCCCC1=O F14125 [0,1,0,1,0,0|1,0,1]=4 59 B12R1.141 O=C1CCCCCCCC(=O)O1 F16497 [0,1,0,1,0,0|1,0,1]=4 60 B12R1.252 O=C(O)CCO[C@@H]1CCCCO1 AC3248 [0,1,0,1,0,0|2,0,0]=4 61 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 AC7875 [0,1,0,1,0,0|2,0,0]=4 62 B12R1.1343 O=C(O)CCN1CCCCCC1 D82188 [0,1,0,1,0,0|1,0,0]=3 63 B12R2.2 C1CCC([C@@H]2CCCN2)CC1 AR1073 [0,0,0,2,0,0|1,0,1]=4 64 B12R2.2 C1CCC([C@H]2CCNC2)CC1 97182 [0,0,0,2,0,0|2,0,0]=4 65 B12R2.7 O=C1CCCCC12CCCC2 D86916 [0,0,0,2,0,0|0,0,0]=2 66 B12R2.24 CC1CCC2CCCCC2C1 D93419 [0,0,0,2,0,0|1,0,1]=4 67 B12R2.1081 NC1CCCC2CCCCC12 72705 [0,0,0,2,0,0|1,0,1]=4 68 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [0,0,0,2,0,0|2,0,0]=4 69 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [0,0,0,2,0,0|2,0,0]=4 70 B12R2.8 O=C1CCCC12CCNCC2 W14107 [0,0,0,2,0,0|1,0,0]=3 71 B12R2.8 O=C1NCCC12CCCCC2 C10748 [0,0,0,2,0,0|1,0,0]=3 72 B12R2.8 O=C1NCCC12CCNCC2 26546 [0,0,0,2,0,0|2,0,0]=4 73 B12R2.8 O=C1NCC[C@@]12CCCNC2 36042 [0,0,0,2,0,0|2,0,0]=4 74 B12R2.8 O=C1OCCC12CCNCC2 F52500 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O 37546 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.18 CN1C[C@@H]2CCNC[C@@H]2C1=O P13260 [0,0,0,2,0,0|2,0,0]=4