0 B8R0.9 CC(=O)NC\C(N)=N\O 4045646 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 CNC(=O)CCCN 4030090 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 CNCCC(=O)NC 4030744 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CCSCCC(=O)O 4028457 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.6 CC(=O)CCN(C)C 4090669 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.6 CC(=O)CCN(C)C 5108147 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.6 CC(C)NCC(=O)O 4028411 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 CC(C)OCC(=O)O 4020858 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.6 CC(C)SCC(=O)O 4028613 [1,0,0,0,0,0|2,0,1]=4 13 B9R0.7 CC(C)C(=O)NCC(=O)O 4029604 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.7 CN(C)C(=O)NCC(=O)O 4028570 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.21 CNC(=O)CCC(C)(C)N 4041154 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.42 CCC(=O)NC(C)C(=O)O 4026814 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,1,0,0,0,0|1,0,2]=4 18 B9R1.10 CC1(C)CCC(=O)NC1 4036246 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 O=C1CC(C(=O)O)CN1 4002892 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.35 O=C1NCC(C(=O)O)N1 4029000 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 O=C1N[C@H](C(=O)O)CO1 4045606 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 4046250 [0,0,0,1,0,0|1,0,1]=3 24 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 4047525 [0,0,0,1,0,0|1,0,1]=3 25 B9R1.185 CCC(=O)C1CC1(C)C 4032891 [0,0,0,1,0,0|2,0,1]=4 26 B7R0.2 CCC(C)CC(C)=O 4031282 [0,0,0,0,1,0|2,0,1]=4 27 B7R0.2 CCN(C)CC(C)=O 4028374 [0,0,0,0,1,0|3,0,0]=4 28 B7R0.2 CCN(C)CC(C)=O 4088950 [0,0,0,0,1,0|3,0,0]=4 29 B7R0.2 CNC(=O)CC(=N)N 4043145 [0,0,0,0,1,0|3,0,0]=4 30 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,0,0,0,1,0|2,0,0]=3 31 B7R0.2 COC(=O)CC(=N)N 4042869 [0,0,0,0,1,0|2,0,0]=3 32 B6R0.1 CCCC(=O)NN 3002586 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.1 CNC(=O)CCCl 4027989 [2,0,0,0,0,0|2,0,0]=4 34 B6R0.1 CNC(=O)CCO 4035059 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.1 CNCC(=O)NC 4033340 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 COC(=O)CCO 4041011 [2,0,0,0,0,0|0,0,1]=3 37 B6R0.4 CNCCC(=O)O 4036102 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.4 CNCCC(N)=O 4029061 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 COCCC(C)=O 4022132 [2,0,0,0,0,0|0,0,0]=2 40 B6R0.6 CNCCCOC 4021520 [2,0,0,0,0,0|1,0,1]=4 41 B8R0.3 CCCC(N)C(=O)NC 4042706 [1,1,0,0,0,0|1,0,1]=4 42 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [1,1,0,0,0,0|0,0,1]=3 43 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.19 CNC(=O)CC(C)NC 4034214 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.19 CNC(=O)CC(C)NC 4088864 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.5 COCC(=O)CC(C)=O 4036230 [1,1,0,0,0,0|0,0,2]=4 47 B8R0.7 C\C=C\CCCC(=O)O 4074621 [1,1,0,0,0,0|2,0,0]=4 48 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [1,1,0,0,0,0|2,0,0]=4 49 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.23 CN(CC(=O)O)C(N)=O 4029414 [1,1,0,0,0,0|2,0,0]=4 51 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.29 CS(=O)(=O)CCC(=O)O 4043244 [1,1,0,0,0,0|1,0,0]=3 54 B8R0.29 CS(=O)(=O)NCC(=O)O 4027462 [1,1,0,0,0,0|2,0,0]=4 55 B10R0.115 COC(=O)CCC(C)(C)C=O 4110678 [0,2,0,0,0,0|0,0,1]=3 56 B10R0.26 CCOC(=O)CC(N)C(C)C 4012462 [0,2,0,0,0,0|1,0,1]=4 57 B8R1.1 CCC1COC(=O)N1 4044759 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.3 CC1=NNC(=O)CC1 3003063 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.22 O=C1CCNCCN1 4131005 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.22 O=C1CCSCCN1 4036022 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.50 CN1C(=O)CNC1=O 4048943 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 CC(=O)C1CCCC1 4031395 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [1,0,0,1,0,0|0,0,2]=4 64 B8R1.23 O=C1CC(C(=O)O)C1 4036673 [1,0,0,1,0,0|0,0,0]=2 65 B8R1.51 CC1(C)CCC(=O)C1 4042132 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.51 O=C1CCS(=O)(=O)C1 4021927 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.77 CC1(C)CC1C(=O)O 4031328 [1,0,0,1,0,0|1,0,1]=4 68 B10R1.13 O=C1CCC(C(=O)O)CN1 4015789 [0,0,0,1,0,1|2,0,0]=4 69 B10R1.13 O=C1CNC(C(=O)O)CN1 4110533 [0,0,0,1,0,1|2,0,0]=4 70 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 4080838 [0,0,0,1,0,1|2,0,0]=4 71 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 4079802 [0,0,0,1,0,1|2,0,0]=4 72 B10R1.194 CC1C(=O)OCC1C(=O)O 9071077 [0,0,0,1,0,1|2,0,0]=4 73 B10R1.58 CN1CC(C(=O)O)CC1=O 4340932 [0,1,0,1,0,0|2,0,0]=4 74 B10R1.64 O=C(O)CN1CCOC1=O 4002138 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.140 CCOC(=O)C1CC(=O)C1 4108294 [0,1,0,1,0,0|0,0,0]=2 76 B6R0.2 NC(=O)CC(=O)O 4027194 [1,0,0,0,1,0|1,0,0]=3