0 B8R0.2 CCN(C)C(C)C(=O)O 4027525 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.2 CCC(C)CC(=N)N 4012909 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.2 CCC(C)CC(=N)N 4088237 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.2 CCC(C)CC(C)=O 4031282 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.2 CCN(C)CC(=O)O 4026801 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.2 CCN(C)CC(C)=O 4028374 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.2 CCN(C)CC(C)=O 4088950 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 CNC(=O)CC(=O)O 4027258 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.2 CNC(C)CC(=O)O 4035495 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.2 CNC(C)CC(N)=O 4043924 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.5 CCNC(C)C(N)=O 4030069 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.5 CCNC(C)C(N)=O 4089759 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.5 CCOC(C)C(=O)O 4020873 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.5 CCSC(C)C(=O)O 4028492 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 CNCC(C)C(=O)O 4043069 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.10 CCC(C)\C(N)=N\O 4043559 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.10 CCN(C)C(C)CO 4027973 [1,0,0,0,0,0|2,0,1]=4 17 B7R0.10 COC(C)\C(N)=N/O 4045625 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.16 CC(C(=O)O)N(C)C 4028231 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.16 CC(C)C(N)C(C)C 4035462 [1,0,0,0,0,0|2,0,1]=4 20 B9R0.29 CCC(C(=O)O)N(C)CC 4028284 [0,1,0,0,0,0|2,0,0]=3 21 B9R0.32 CCS(=O)(=O)C(C)C(=O)O 4028340 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.41 CCC(CC)C(N)C(=O)O 4040457 [0,1,0,0,0,0|0,0,0]=1 23 B9R0.41 CCN(CC)C(=O)C(=O)O 4028867 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.41 CN1CCC[C@H]1C(=O)O 4030671 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.41 CN1CSC[C@H]1C(=O)O 4035601 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [0,0,0,1,0,0|2,0,0]=3 27 B9R0.23 CCN(C)C(C)CC(=O)O 4028645 [0,0,0,0,0,1|2,0,0]=3 28 B9R0.42 CCC(=O)NC(C)C(=O)O 4026814 [0,0,0,0,0,1|2,0,1]=4 29 B9R0.42 CCC(C)NC(=O)C(=O)O 4027251 [0,0,0,0,0,1|1,0,1]=3 30 B9R0.42 CCN(C)CC(C)C(=O)O 4027257 [0,0,0,0,0,1|2,0,0]=3 31 B9R0.42 CCN(C)CC(C)C(=O)O 4088844 [0,0,0,0,0,1|2,0,0]=3 32 B6R0.1 CCC(C)CCN 4015078 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.1 CCCC(N)CC 4028240 [2,0,0,0,0,0|1,0,1]=4 34 B6R0.1 CCCC(N)CC 4088911 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.1 CCC\C(N)=N\O 4030621 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.1 CCC\C(N)=N\O 4089955 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 CNC(C)CCO 4027121 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.1 COCC(N)CO 4030437 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.2 CC(C)CC(=N)N 4012906 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 CCCCC(=N)N 4012905 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 CNCCC(=O)O 4036102 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 CNCCC(N)=O 4029061 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.4 COCCC(C)=O 4022132 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 NC(=O)CCCCl 4028442 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.3 CC(C)\C(N)=N\O 4031815 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.3 CNC(C)C(N)=O 4031071 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.3 COC(C)C(=O)O 4020866 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.3 CSC(C)C(=O)O 4034068 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.5 CC(=O)CN(C)CCO 4028287 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.5 CCCS(=O)CC(=O)O 4027354 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.5 CN(CCO)CC(=O)O 4027421 [1,1,0,0,0,0|1,0,0]=3 52 B8R0.16 CCN(CC)CC(=O)O 4010142 [1,1,0,0,0,0|1,0,0]=3 53 B8R0.16 COC(CC(=O)O)OC 4049868 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.19 CCC(C)NC(=O)CCl 4028165 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.19 CCN(C)CC(=O)NN 4032665 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.19 CCN(C)CC(=O)NN 4090335 [1,1,0,0,0,0|2,0,0]=4 57 B8R0.19 CNC(=O)CC(C)NC 4034214 [1,1,0,0,0,0|2,0,0]=4 58 B8R0.19 CNC(=O)CC(C)NC 4088864 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.34 C=CC(C)(C)CC(=O)O 4032003 [1,1,0,0,0,0|0,0,2]=4 63 B8R0.34 CC(C)(CO)CC(=O)[O-] 4066008 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.34 CCS(=O)(=O)CC(=O)O 4027612 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.3 CCCC(N)C(=O)NC 4042706 [1,1,0,0,0,0|1,0,0]=3 66 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [1,1,0,0,0,0|0,0,0]=2 67 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [1,1,0,0,0,0|1,0,0]=3 68 B8R0.8 CCCNC(=O)C(=O)O 4027289 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.8 CCCOC(C)C(=O)O 4020872 [1,1,0,0,0,0|1,0,0]=3 70 B8R0.12 CC(C)(CCN)C(=O)O 4030205 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.12 CCOC(C)(C)C(=O)O 4021501 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.12 COCC(C)(C)C(=O)O 4030901 [1,1,0,0,0,0|2,0,0]=4 73 B8R0.15 CCCC(NC)C(=O)O 4044041 [1,1,0,0,0,0|0,0,0]=2 74 B8R0.18 CCC(C(=O)O)N(C)C 4028086 [1,1,0,0,0,0|2,0,0]=4 75 B10R0.67 CCC(C)(C)NC(=O)C(=O)O 4028476 [0,1,0,0,0,1|1,0,1]=4 76 B10R0.93 CC(CN(C)C(C)C)C(=O)O 4027090 [0,1,0,0,0,1|2,0,0]=4 77 B10R0.93 CC(CN(C)C(C)C)C(=O)O 4090360 [0,1,0,0,0,1|2,0,0]=4 78 B8R1.1 CCC1COC(=O)N1 4044759 [1,0,0,1,0,0|1,0,0]=3 79 B8R1.1 NCC1CNC(=O)C1 4002894 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.1 O=C1CC(CBr)CN1 4076303 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.1 O=C1CC(CO)CN1 4108826 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.4 CC1CCCC(=O)N1 4027532 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.34 O=C(O)CC1CCC1 4028895 [1,0,0,1,0,0|0,0,0]=2 84 B8R1.42 CC(=O)CC1(C)CC1 4002837 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.5 NC1CCCNC1=O 4002400 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.7 CC(=O)C1CCCC1 4031395 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.7 CC(=O)C1CCCO1 4075977 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.7 O=C(O)C1CCCS1 4045536 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.78 CC1(C(=O)O)CNC1 4067484 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.11 CC[C@@H]1CCC[C@H]1N 4053233 [1,0,0,1,0,0|1,0,1]=4 92 B8R1.11 CO[C@@H]1COC[C@@H]1N 4077424 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.11 CO[C@H]1COC[C@@H]1N 4031140 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.77 CC1(C)CC1C(=O)O 4031328 [1,0,0,1,0,0|1,0,0]=3 95 B10R1.64 CN1CCCC1CC(=O)O 4004857 [0,0,0,1,0,1|2,0,0]=4 96 B10R1.31 CCN1CCC(C(=O)O)C1 4016132 [0,0,0,1,0,1|2,0,0]=4 97 B10R1.113 CN1CCNC(C(=O)O)C1 4142107 [0,0,0,1,0,1|1,0,0]=3 98 B10R1.113 CN1CCOC(C(=O)O)C1 4078099 [0,0,0,1,0,1|2,0,0]=4 99 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 4110383 [0,0,0,1,0,1|2,0,0]=4 100 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 4110843 [0,0,0,1,0,1|2,0,0]=4 101 B10R1.470 CN1CCC(C)(C(=O)O)C1 4002991 [0,0,0,1,0,1|2,0,0]=4 102 B10R1.23 CC(C(=O)O)N1CCCC1 4401695 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.61 CN1CCCCC1C(=O)O 4400178 [0,1,0,1,0,0|2,0,0]=4 104 B10R1.61 CN1CCNCC1C(=O)O 4142105 [0,1,0,1,0,0|1,0,0]=3 105 B10R1.61 CN1CCOC[C@@H]1C(=O)O 4037824 [0,1,0,1,0,0|2,0,0]=4 106 B10R1.61 CN1CCOC[C@H]1C(=O)O 4038718 [0,1,0,1,0,0|2,0,0]=4 107 B10R1.39 CCN1CCC[C@H]1C(=O)O 4044757 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.483 CCC1(CC)CC1C(=O)O 4002213 [0,1,0,1,0,0|1,0,0]=3 109 B8R0.9 CCC(=O)NCC(=O)O 4027002 [1,0,0,0,0,1|1,0,1]=4 110 B8R0.9 CCN(C)CCC(=O)O 4027808 [1,0,0,0,0,1|1,0,0]=3 111 B8R0.9 CCN(C)CCC(=O)O 4089689 [1,0,0,0,0,1|1,0,0]=3 112 B8R0.9 CCS(=O)CCC(=O)O 4027513 [1,0,0,0,0,1|2,0,0]=4