0 B7R0.7 CCCC(C)NCC 4024861 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.7 CCNC(=O)CCCl 4027744 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.7 CCOC(=O)CCO 4040900 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(C)CNC 4030660 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCCC(=O)NN 3002586 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCCC(N)CC 4028240 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCCC(N)CC 4088911 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CCNC(=O)CBr 4023688 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CCNC(C)CC 4024881 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCNC(C)CC 4089770 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCOC(C)CN 4029821 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CNC(=O)CCCl 4027989 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CNC(=O)CCO 4035059 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.1 CNCC(=O)NC 4033340 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.1 CNCC(C)OC 4031677 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 COC(=O)CCO 4041011 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CSC\C(N)=N\O 4042689 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 CCOCCNC 4030249 [1,0,0,0,0,0|1,0,1]=3 18 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,1,0,0,0,0|1,1,1]=4 21 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,0|1,1,0]=3 23 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.8 CCOC1CCNC1 4041020 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.8 CNCC1CCCO1 4018249 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.11 CCC1CCNC1=O 4035898 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.22 O=C1CCNCCN1 4131005 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.22 O=C1CCSCCN1 4036022 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.22 O=C1CNCCCN1 4015468 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.22 O=C1CSCCSC1 4004797 [0,0,0,1,0,0|2,0,0]=3 34 B5R0.1 C#CCC(=O)O 4035749 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.2 CNCCSC 4036386 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.3 CNC(=O)CBr 4023689 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 CNC(=O)CCl 4031514 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.3 CNC(=O)CN 4030580 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 CNC(=O)CO 4032781 [2,0,0,0,0,0|1,1,0]=4 40 B7R0.2 CC(C)NC(=O)CBr 4023681 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.2 CC(C)NC(=O)CN 4030242 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.2 CC(C)NC(=O)CN 4091078 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.2 COC(=O)CC(=N)N 4042869 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.3 CCC(=O)NCCN 4110359 [1,1,0,0,0,0|1,0,0]=3 45 B7R0.3 CCOCC(=O)NN 4024074 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.3 CCOCC(=O)NN 4089996 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.3 CNC(=O)CCCN 4030090 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.3 CNCCC(=O)NC 4030744 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.5 CCNC(=O)C(C)Cl 4028638 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.10 CCC(N)C(=O)NC 4033837 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.10 CCN(C)C(=O)CCl 4027839 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.10 CNC(=O)C(C)NC 4034384 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.10 CNC(C)C(=O)OC 4044238 [1,1,0,0,0,0|1,0,0]=3 54 B7R0.10 COC(=O)C(C)CN 4052567 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.12 CCOC(CC)CN 4031082 [1,1,0,0,0,0|1,0,1]=4 56 B7R0.12 CCOC(CC)CN 4091080 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.5 CCCCNC(=O)CNC 4025910 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.5 CCOC(=O)CCN=C=O 3001880 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,2,0,0,0,0|1,0,1]=4 60 B7R1.2 CC1CNC(=O)C1 4026755 [1,0,0,1,0,0|2,0,0]=4 61 B7R1.2 CC1CNC(=O)O1 4043936 [1,0,0,1,0,0|1,0,0]=3 62 B7R1.2 CC1COC(=O)N1 4045335 [1,0,0,1,0,0|1,1,0]=4 63 B7R1.3 O=C1CCCSC1 4021743 [1,0,0,1,0,0|0,0,0]=2 64 B7R1.3 O=C1CNCCN1 4102110 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.3 O=C1NCCCO1 4035958 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.4 NC1CCNC1=O 4110613 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.2 CCC1COCC(=O)N1 4027565 [0,1,0,1,0,0|1,1,0]=4 68 B9R1.2 CCN1CCNC(=O)C1 4044495 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.15 CCC1NCCNC1=O 4004453 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.15 CCC1SCCNC1=O 4045692 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.15 CCN1CCCNC1=O 4040526 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.15 CCN1CCNCC1=O 4011544 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.33 NCCN1CCCC1=O 4006050 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.33 NCCN1CCOC1=O 4012055 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.33 O=C1CCCN1CCBr 4035171 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.33 O=C1CCCN1CCCl 6141229 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.48 CC1CCCCC(=O)N1 4085312 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.49 CC1CCNC(=O)CC1 4041565 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.3 C[C@@H]1CNCC(=O)N1C 4067271 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.3 C[C@H]1CNCC(=O)N1C 4051612 [0,1,0,1,0,0|2,0,0]=4 81 B9R1.38 CC1CC(=O)NC1(C)C 4044938 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.137 CC(=O)CC(=O)C1CC1 5108777 [0,1,0,1,0,0|2,0,0]=4