0 B6R0.3 CNC(C)C(N)=O 4031071 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.3 COC(C)C(=O)O 4020866 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.3 CSC(C)C(=O)O 4034068 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 NC(=O)\C(N)=N\O 4045328 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.1 C#CCC(=O)O 4035749 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|1,1,0]=3 6 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.3 CC(CN)CO 4036254 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 CC\C(N)=N\O 4030035 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 CC\C(N)=N\O 4089717 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.3 N\C(CO)=N/O 4045643 [1,0,0,0,0,0|1,1,1]=4 11 B5R0.5 CC(C)C(=N)N 4034735 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.5 CC(C)C(=N)N 4088764 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.5 CC(O)C(=N)N 4048497 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.5 CCNC(C)C(N)=O 4030069 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.5 CCNC(C)C(N)=O 4089759 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.5 CCOC(C)C(=O)O 4020873 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.5 CCSC(C)C(=O)O 4028492 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.5 CNCC(C)C(=O)O 4043069 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.10 CCC(C)C(=O)NN 4031480 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,1,0,0,0,0|3,0,0]=4 21 B7R0.10 CCC(N)C(=O)NC 4033837 [0,1,0,0,0,0|2,0,0]=3 22 B7R0.10 CCC(N)C(=O)NO 4045655 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.10 CNC(=O)C(C)CN 4035379 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.10 CNC(C)C(=O)OC 4044238 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.10 COC(=O)C(C)CN 4052567 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.13 CC(C)(CN)C(=O)O 4020272 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.13 COC(C)(C)C(=O)O 4021500 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.15 CCC(NC)C(N)=O 4029111 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.15 CCC(OC)C(=O)O 4020880 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.4 NC1CCNC1=O 4110613 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.4 N[C@H]1COC[C@@H]1O 4034126 [0,0,0,1,0,0|1,1,1]=4 33 B7R0.2 CCC(C)CC(C)=O 4031282 [0,0,0,0,0,1|3,0,0]=4 34 B7R0.2 CCN(C)CC(=O)O 4026801 [0,0,0,0,0,1|3,0,0]=4 35 B7R0.2 CNC(C)CC(=O)O 4035495 [0,0,0,0,0,1|3,0,0]=4 36 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 37 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CCCC(=O)NN 3002586 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.1 CCC\C(N)=N\O 4030621 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.1 CCC\C(N)=N\O 4089955 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.1 CNC(=O)CCCl 4027989 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.1 CNC(=O)CCO 4035059 [1,1,0,0,0,0|1,1,0]=4 44 B6R0.1 COC(=O)CCO 4041011 [1,1,0,0,0,0|0,1,0]=3 45 B6R0.1 N\C(CCO)=N/O 4044130 [1,1,0,0,0,0|1,1,0]=4 46 B6R0.2 NC(=O)CC(=O)O 4027194 [1,1,0,0,0,0|0,1,1]=4 47 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|1,1,0]=4 50 B6R0.4 CSCCC(=N)N 4042665 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.7 CC(C)(N)C(N)=O 4029572 [1,1,0,0,0,0|1,0,0]=3 53 B6R0.7 CC(N)C(C)(C)O 4035420 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|2,0,0]=4 55 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|1,0,0]=3 56 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,2,0,0,0,0|0,0,0]=2 57 B8R0.8 C=CCSC(C)C(=O)O 4026797 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.8 CCCOC(C)C(=O)O 4020872 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.12 CC(C)(CCN)C(=O)O 4030205 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.12 CCOC(C)(C)C(=O)O 4021501 [0,2,0,0,0,0|2,0,0]=4 61 B8R0.12 COCC(C)(C)C(=O)O 4030901 [0,2,0,0,0,0|1,1,0]=4 62 B8R0.15 CCCC(NC)C(=O)O 4044041 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.20 CCC(NC)C(=O)OC 4043991 [0,2,0,0,0,0|1,0,0]=3 64 B8R0.18 CCC(C(=O)O)N(C)C 4028086 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.1 CCC1COC(=O)N1 4044759 [0,0,0,1,0,1|2,0,0]=4 66 B8R1.34 O=C(O)CC1CCC1 4028895 [0,0,0,1,0,1|2,0,0]=4 67 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.7 O=C(O)C1CCCS1 4045536 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,1,0,1,0,0|1,1,0]=4 70 B8R1.23 O=C1CC(C(=O)O)C1 4036673 [0,1,0,1,0,0|1,1,0]=4 71 B8R1.78 CC1(C(=O)O)CNC1 4067484 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.50 CN1CCC(N)C1=O 4019955 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.63 NCC1(C(=O)O)CC1 4020274 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.63 O=C(O)C1(CO)CC1 4031220 [0,1,0,1,0,0|1,1,0]=4 75 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,1,0,1,0,0|2,0,0]=4