0 B6R0.2 NC(=O)CC(=O)O 4027194 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 C=C(C)CNN 4045392 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,0|1,0,2]=4 3 B7R0.2 CC(C)NC(=O)CN 4030242 [0,1,0,0,0,0|1,0,2]=4 4 B7R0.2 CC(C)NC(=O)CN 4091078 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.2 CCN(C)CC(C)=O 4028374 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.2 CCN(C)CC(C)=O 4088950 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.2 CNC(=O)CC(=N)N 4043145 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.2 COC(=O)CC(=N)N 4042869 [0,1,0,0,0,0|3,0,0]=4 11 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,0,0|2,0,1]=4 12 B7R1.2 CC1=NN=C(C)N1 4030190 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.2 CC1=NN=C(N)O1 4013100 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 CC1=NN=C(O)O1 4040622 [0,0,0,1,0,0|2,0,1]=4 15 B7R1.2 CC1=NN=C(S)O1 4110496 [0,0,0,1,0,0|2,1,0]=4 16 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,0|1,0,2]=4 17 B7R1.20 CC(=O)CC1CC1 4002838 [0,0,0,1,0,0|1,0,2]=4 18 B7R0.6 CC(=O)CCN(C)C 4090669 [0,0,0,0,0,1|2,0,1]=4 19 B7R0.6 CC(=O)CCN(C)C 5108147 [0,0,0,0,0,1|2,0,1]=4 20 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,1|1,0,2]=4 21 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,1]=4 22 B6R0.1 CCNC(=O)CBr 4023688 [1,1,0,0,0,0|1,0,1]=4 23 B6R0.1 CNCC(=O)NC 4033340 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,2,0,0,0,0|2,0,0]=4 26 B8R0.37 C=C(C)C(C)(C)C(=O)O 4041350 [0,2,0,0,0,0|2,0,0]=4 27 B6R1.2 BrC1=NC=CO1 4039122 [1,0,0,1,0,0|2,0,0]=4 28 B6R1.2 O=C1NC=CN1 4029600 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,1|1,0,1]=4 30 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,1|0,0,2]=4 31 B8R1.1 CC1=CC=C(C=O)N1 4036670 [0,1,0,1,0,0|1,0,1]=4 32 B8R1.1 CC1=CC=C(CN)S1 4100660 [0,1,0,1,0,0|1,1,0]=4 33 B8R1.1 CC1=CNC(C=O)=N1 4301882 [0,1,0,1,0,0|2,0,0]=4 34 B8R1.1 CC1=CNC(CN)=N1 4101883 [0,1,0,1,0,0|2,0,0]=4 35 B8R1.1 CC1=CSC(CCl)=N1 4016915 [0,1,0,1,0,0|1,1,0]=4 36 B8R1.1 CC1=CSC(CN)=N1 4088048 [0,1,0,1,0,0|1,1,0]=4 37 B8R1.1 CC1=CSC(CN)=N1 4101545 [0,1,0,1,0,0|1,1,0]=4 38 B8R1.1 CC1=CSC(CO)=N1 4021474 [0,1,0,1,0,0|1,1,0]=4 39 B8R1.1 CC1=CSC(CO)=N1 4089181 [0,1,0,1,0,0|1,1,0]=4 40 B8R1.1 CC1=NC(CCl)=CS1 4034726 [0,1,0,1,0,0|1,1,0]=4 41 B8R1.1 CC1=NC(CN)=CS1 4089522 [0,1,0,1,0,0|1,1,0]=4 42 B8R1.1 CC1=NC(CN)=CS1 4101061 [0,1,0,1,0,0|1,1,0]=4 43 B8R1.1 CC1=NC(CO)=CO1 4037087 [0,1,0,1,0,0|1,0,1]=4 44 B8R1.1 CC1=NC(CO)=CS1 4016970 [0,1,0,1,0,0|1,1,0]=4 45 B8R1.1 CC1=NN=C(CCl)O1 4011029 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.1 CC1=NN=C(CN)O1 4101407 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.1 CC1=NN=C(CO)O1 4012867 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|0,0,2]=4 49 B8R1.4 O=C1CNCC(=O)N1 4041602 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.4 O=C1COCC(=O)N1 4045755 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.18 CC1=C(C)NC(=O)N1 4085336 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.18 CC1=C(C)OC(N)=N1 4030804 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.18 CC1=NC(Br)=C(C)N1 4033842 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.18 CC1=NC(Br)=C(C)S1 4040817 [0,1,0,1,0,0|1,1,0]=4