0 B10R1.17 BrCCCN1CCCCO1 72825 [1,0,0,0,0,0|2,0,1]=4 1 B10R1.17 CCCCC1CCNCC1 25962 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.17 CCNC[C@H]1CNCCO1 AB1553 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.17 COCC[C@H]1CCCCN1 C71587 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.17 OCCC[C@H]1CCCCN1 59724 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.17 OCCC[C@H]1CCCNC1 AC1697 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.17 CCOC(=O)[C@H]1CCCC(=O)C1 D96698 [0,1,0,0,0,0|2,0,1]=4 7 B10R0.1 CCCC(=O)OCCCSC 73858 [0,0,1,0,0,0|1,0,0]=2 8 B10R0.1 CCCCNCC(=O)OCC AB3730 [0,0,1,0,0,0|3,0,0]=4 9 B10R0.4 CC(=O)NCCCCCCN D93510 [0,0,1,0,0,0|3,0,0]=4 10 B10R0.4 O=C(O)CCCCCCCO S10749 [0,0,1,0,0,0|1,0,0]=2 11 B10R0.87 CCCC[C@H](CC)CC(=O)O A10554 [0,0,1,0,0,0|2,0,0]=3 12 B10R0.87 CCCC[C@H](CC)OC(C)=O 73884 [0,0,1,0,0,0|0,0,0]=1 13 B12R2.24 CC1CCC2CCCCC2C1 D93419 [0,0,0,1,0,0|2,0,1]=4 14 B12R2.1081 NC1CCCC2CCCCC12 72705 [0,0,0,1,0,0|2,0,1]=4 15 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 68528 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.1081 O=C1CNC[C@@H]2CCCCN12 87615 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.5121 O=C1CCOC2(CCCC2)C1 87243 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.16 CCCCC1OCC(C)O1 D93006 [0,0,0,0,1,0|2,0,1]=4 19 B10R1.16 CCCC[C@H]1CCC(=O)O1 AC2057 [0,0,0,0,1,0|0,0,0]=1 20 B9R0.5 CCOC(=O)CCCCN 23836 [1,0,1,0,0,0|2,0,0]=4 21 B9R0.45 CCCCOCCCCO S11917 [1,0,1,0,0,0|1,0,1]=4 22 B9R0.46 CCOCCOC(=O)CCl D79711 [1,0,1,0,0,0|2,0,0]=4 23 B9R0.2 C#CCCCCCC(=O)O AT11953 [1,0,1,0,0,0|0,0,2]=4 24 B9R0.2 C=CCCCCCC(=O)O I11997 [1,0,1,0,0,0|0,0,2]=4 25 B9R0.2 CCCCCCCC(=O)[O-] F12023 [1,0,1,0,0,0|0,0,1]=3 26 B9R0.2 CCC\C=C/CCC(=O)O E70288 [1,0,1,0,0,0|0,0,2]=4 27 B9R0.2 COCCOCCC(=O)O C70448 [1,0,1,0,0,0|2,0,0]=4 28 B9R0.2 O=C(O)CNCCCCO 72467 [1,0,1,0,0,0|2,0,0]=4 29 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [1,0,1,0,0,0|1,0,0]=3 30 B9R0.18 CCCOC(C)OCCC D93053 [1,0,1,0,0,0|1,0,1]=4 31 B9R0.14 CCC[C@H](CC)OC(=O)Cl S11051 [1,0,1,0,0,0|1,0,0]=3 32 B9R1.2 CCC1=CC(=O)CCC1 A10067 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [2,0,0,0,0,0|2,0,0]=4 37 B11R0.2 CCCCCOC(=O)CC(C)C A12347 [0,1,1,0,0,0|0,0,0]=2 38 B11R0.4 CCCCCCNC(=O)CCC W15994 [0,1,1,0,0,0|1,0,0]=3 39 B11R0.155 CCCCCC(=O)C(=O)OCC Y11380 [0,1,1,0,0,0|2,0,0]=4 40 B11R0.30 CC(=O)CCCCCCC(C)=O C73196 [0,1,1,0,0,0|1,0,1]=4 41 B11R0.30 CC(C)\C=C\CCCCC(=O)O C16043 [0,1,1,0,0,0|0,0,2]=4 42 B11R0.40 COC(=O)CCCCCCC#N D93832 [0,1,1,0,0,0|1,0,1]=4 43 B11R0.40 COC(=O)CCCCCCC=O D94271 [0,1,1,0,0,0|1,0,1]=4 44 B11R0.40 COC(=O)CCCCCCCBr D94848 [0,1,1,0,0,0|1,0,0]=3 45 B11R0.42 C=CCCCCC[C@H](N)C(=O)O C77165 [0,1,1,0,0,0|0,0,2]=4 46 B11R0.42 C=CCCCCC[C@H](N)C(=O)O D96783 [0,1,1,0,0,0|0,0,2]=4 47 B11R0.42 CCCCCCC[C@H](N)C(=O)O W18676 [0,1,1,0,0,0|0,0,0]=2 48 B11R0.46 CCCCOC(=O)CCC(=O)O S10462 [0,1,1,0,0,0|1,0,1]=4 49 B11R0.111 COC(=O)CCCCCC(=O)O A11369 [0,1,1,0,0,0|1,0,1]=4 50 B11R0.148 C#CCCCCCCCC(=O)O AT18721 [0,1,1,0,0,0|0,0,1]=3 51 B11R0.148 NCCCCCCCCC(=O)O D94864 [0,1,1,0,0,0|0,0,0]=2 52 B11R0.148 O=C(O)CCOCCOCCBr S10585 [0,1,1,0,0,0|2,0,0]=4 53 B11R0.77 C=C[C@H](CCCCC)OC(C)=O D71009 [0,1,1,0,0,0|0,0,2]=4 54 B11R1.28 CCCCO[C@@H]1CCCCO1 D80647 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.28 OCCCCC1CCCCC1 F53310 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.28 OCCCC[C@H]1CCCCN1 31923 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.30 CCOC(=O)CC1CCCC1 F11924 [0,0,1,1,0,0|2,0,0]=4 58 B11R1.86 CN1CCCC[C@@H]1CC(=O)O 33486 [0,0,1,1,0,0|1,0,0]=3 59 B11R1.20 CC(=O)NC1CCC(O)CC1 AC9234 [0,0,1,1,0,0|2,0,0]=4 60 B11R1.20 CC1CCC(CC(=O)O)CC1 74030 [0,0,1,1,0,0|2,0,0]=4 61 B11R2.106 O=C1CNC[C@@H]2CCCN12 90665 [1,0,0,1,0,0|2,0,0]=4 62 B11R2.106 O=C1CNC[C@@H]2CCCN12 Y11147 [1,0,0,1,0,0|2,0,0]=4 63 B11R2.678 O=C1CC2CCCC(C1)N2 CS1263 [1,0,0,1,0,0|2,0,0]=4 64 B11R2.1478 O=C1CC2(CCC2)CCN1 D81334 [1,0,0,1,0,0|2,0,0]=4 65 B11R2.1478 O=C1CCOC2(CCC2)C1 57397 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.20 C1CO[C@H]2CCNC[C@@H]2C1 W12195 [1,0,0,1,0,0|1,0,1]=4 67 B11R2.1261 C1CCC2(C1)CCCNC2 33462 [1,0,0,1,0,0|2,0,0]=4 68 B11R2.1261 C1CC[C@@]2(CCNC2)OC1 W13911 [1,0,0,1,0,0|1,0,1]=4 69 B11R2.3 O=C1NCC[C@]12CCNC2 37873 [0,0,0,1,1,0|2,0,0]=4 70 B11R2.459 O=C1CCCN1C2CNC2 CS2382 [0,0,0,1,1,0|2,0,0]=4 71 B13R2.32 CN1C(=O)CCC2CNCCC21 W12225 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.11128 O=C1CC2(CCNCC2)CCN1 O10929 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.11128 O=C1CC2(CCNCC2)CCN1 P18363 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.11128 O=C1CCCC2(CCNCC2)N1 P10895 [0,1,0,1,0,0|1,0,0]=3 75 B13R2.11128 O=C1NC2(CCNCC2)CCO1 P13183 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.11128 O=C1NCCC2(CCNCC2)O1 C73022 [0,1,0,1,0,0|1,0,0]=3 77 B13R2.13501 O=C1CC(=O)CC2(CCCC2)C1 84862 [0,1,0,1,0,0|1,0,1]=4 78 B9R0.13 CCCC[C@H](CC)C(=O)O 86085 [0,0,1,0,1,0|1,0,0]=3 79 B9R0.13 CCCC[C@H](CC)C(=O)O 86086 [0,0,1,0,1,0|1,0,0]=3 80 B9R1.7 CCC[C@@H]1COC(=O)C1 S10720 [1,0,0,0,1,0|2,0,0]=4 81 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [1,0,0,0,1,0|1,0,0]=3 82 B9R1.33 O=C1CCCN1CCBr C77640 [1,0,0,0,1,0|2,0,0]=4