0 B9R0.2 CC(C)CCCCCCO D98911 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CNCCCCCC(=O)O AT21580 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.2 NCCCCCCC(N)=O AC7480 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.2 [N-]=[N+]=NCCCCC(=O)O D88530 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.4 C=CCCNCCOC E72576 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.4 CNCCCCCCO AT11159 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.7 CC(=O)NCCCCN S12336 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.7 CCCCNCC(=O)O D87235 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 CNCCCNC(C)=O C78307 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.7 NC(=O)CCCCCO AC6170 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.7 O=C(O)CCOCCBr C70446 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.7 O=C(O)CCOCCO C70447 [1,0,0,0,0,0|3,0,0]=4 12 B8R0.7 O=CNCCCC(=O)O AB3831 [1,0,0,0,0,0|3,0,0]=4 13 B10R0.4 C=CCCCCCOC(C)=O T72533 [0,1,0,0,0,0|0,0,0]=1 14 B10R0.4 CC(C)CCCCCCC=O D86949 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,1,0,0,0,0|2,0,1]=4 17 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.74 COC(=O)CCCCCC=O A51072 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.74 COC(=O)CCCCCCN F19219 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.97 CC(=O)NCSCCC(=O)O F19967 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.10 CCC[C@H]1CC(=O)CCN1 C75784 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.61 NC(=O)C1CCCCC1N AT21040 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50240 [0,0,0,1,0,0|1,0,2]=4 28 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50307 [0,0,0,1,0,0|1,0,2]=4 29 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50425 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O AC4019 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.64 O=C(O)C[C@H]1CCNC1=O AT19070 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.133 C=CC[C@H]1CCC[C@]1(C)O F50030 [0,0,0,1,0,0|0,0,2]=3 33 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,1,0,0|2,0,1]=4 34 B7R0.1 C=CCCCCCCl I11994 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|0,0,1]=3 36 B7R0.1 C=CC\C=C\CCC T72633 [2,0,0,0,0,0|0,0,2]=4 37 B7R0.1 CNCCCCCO AT11157 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.1 CNCCCCCO AT11158 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|0,0,2]=4 40 B7R0.1 O=CCCCCCCl 24359 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.4 C=CCOCC(=O)O D77063 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.4 CC(=O)NCCCN AR2174 [2,0,0,0,0,0|2,0,0]=4 43 B7R0.4 CCCCCC(N)=S W19000 [2,0,0,0,0,0|1,1,0]=4 44 B7R0.4 CCNCCC(N)=O A11725 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.4 CNCCCC(N)=O AB11605 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CNCCNC(C)=O C77870 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.4 C[S@](=O)CCCCN 13216 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 NC(=O)CCCCBr AC9465 [2,0,0,0,0,0|2,0,0]=4 49 B7R0.4 NC(=O)CCCCCl AC5718 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 NCCCCC(N)=O AC3685 [2,0,0,0,0,0|2,0,0]=4 51 B9R0.45 C=CCCCCCCCC T73018 [1,1,0,0,0,0|0,0,1]=3 52 B9R0.45 C\C=C/CCCCCCC T70533 [1,1,0,0,0,0|0,0,1]=3 53 B9R0.1 CC[C@H](C)OCCC(C)=O T71083 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [1,1,0,0,0,0|1,0,1]=4 55 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [1,1,0,0,0,0|1,0,1]=4 56 B9R0.38 CS(=O)(=O)CCCCCN AT13638 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.8 C=CC[C@H]1CCCCN1 A51152 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.12 C=CCO[C@H]1CCNC1 AT22522 [1,0,0,1,0,0|2,0,0]=4 63 B9R1.12 C=CCO[C@H]1CCNC1 AT22523 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.12 C=CCO[C@H]1CCNC1 AT22524 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [1,0,0,1,0,0|1,0,1]=4 66 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,1,0,0|0,0,2]=4 68 B9R1.2 CC[C@H]1CC(=O)CCN1 S10989 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [1,0,0,1,0,0|1,0,0]=3 70 B9R1.6 CC(=O)[C@H]1CCCNC1 P11325 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.7 O=C1CC[C@H](CCO)N1 AT10892 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.13 CC(=O)CC1CCCC1 N12760 [1,0,0,1,0,0|0,0,1]=3 76 B9R1.13 CC(=O)CN1CCCC1 F50500 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [1,0,0,1,0,0|2,0,0]=4 79 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.96 CC(=O)N1CC[C@@H]1CO P19109 [1,0,0,1,0,0|2,0,0]=4 81 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10150 [0,1,0,1,0,0|2,0,0]=4 82 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10151 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97098 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 97101 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.24 CCCC[C@H]1CC(=O)CCN1 S11327 [0,1,0,1,0,0|0,0,2]=4 86 B11R1.233 C=CCC[C@H]1CCC[C@]1(C)O F50028 [0,1,0,1,0,0|0,0,2]=4 87 B11R1.271 CC(=O)OC[C@H]1CC[C@@H]1CO P17684 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.75 C=C1CN[C@@H](COC(C)=O)C1 F50304 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.159 NC(=O)C1CCCC(Br)C1=O F16543 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.40 COC(=O)C[C@H]1CCCNC1 AB9802 [0,1,0,1,0,0|1,0,1]=4 91 B11R1.222 COC(=O)C1CCCCC1N F52864 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.222 COC(=O)C1CCCCC1O D76886 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.222 COC(=O)[C@@H]1CNCCC1=O F11806 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.222 COC(=O)[C@H]1CCCC[C@@H]1N 20978 [0,1,0,1,0,0|1,0,1]=4 95 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,1,0,1,0,0|1,0,1]=4 96 B11R2.36 O=C1CCC2CCNC2C1 D72799 [0,0,0,2,0,0|1,0,1]=4 97 B11R2.106 O=C1CCNC2CCCC12 F14781 [0,0,0,2,0,0|1,0,1]=4 98 B11R2.106 O=C1CCNC2CCCC12 P10663 [0,0,0,2,0,0|1,0,1]=4 99 B11R2.202 O=C1OC(=O)C2CCCC12 80161 [0,0,0,2,0,0|2,0,0]=4 100 B11R2.845 CC(=O)C1CC2CCC1O2 F50487 [0,0,0,2,0,0|1,0,1]=4