0 B7R0.6 CC(=O)CCC(=O)O SBB040561 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CCC(C)=O SBB040811 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(=O)NCC(=O)O SBB036034 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)NNC(C)=O SBB067157 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 CC(C)=NNC(N)=O SBB111787 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)=NNC(N)=S SBB066571 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.6 N=C(N)NCC(=O)O SBB028198 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 NC(=O)NNC(N)=O SBB111699 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.6 NC(=O)\C=C/C(=O)O SBB007773 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 NC(=O)\C=C\C(N)=O SBB000043 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.6 NC(=S)NCC(=O)O SBB057116 [0,0,0,0,0,0|2,1,1]=4 11 B7R0.6 NC(=S)NNC(N)=S SBB008379 [0,0,0,0,0,0|0,2,2]=4 12 B7R0.6 O=C(Cl)CCC(=O)Cl SBB061367 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.6 O=C(O)C#CC(=O)O SBB059645 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.6 O=C(O)CCC(=O)O SBB040562 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.6 O=C(O)\C=C/C(=O)O SBB040567 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.6 O=C(O)\C=C\C(=O)O SBB008547 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.6 O=C([O-])C#CC(=O)O SBB008993 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 NC(=S)NNC=O SBB056707 [1,0,0,0,0,0|0,1,2]=4 19 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.9 OC(=O)\C=C/C(=O)NC SBB005847 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.23 NC(=O)CC(N)C(=O)O SBB058664 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SBB058629 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.3 CC1=CC=C(N)N=N1 SBB051974 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.3 NC1=CC=C(I)N=N1 SBB051975 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.3 NC1=CN=C(N)C=C1 SBB004342 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.3 NC1=NN=C(Cl)C=C1 SBB005487 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.3 NC1=NN=C(N)N=N1 SBB018972 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.3 O=C1CNC(=O)CN1 SBB079702 [0,0,0,1,0,0|2,0,1]=4 32 B6R0.2 CC(=O)CC(C)=O SBB009914 [0,0,0,0,1,0|3,0,0]=4 33 B6R0.2 CC(=O)CC(N)=O SBB061675 [0,0,0,0,1,0|2,0,0]=3 34 B6R0.2 CC(=O)\C=C(\C)N SBB007945 [0,0,0,0,1,0|3,0,0]=4 35 B6R0.2 N=C(N)NC(N)=S SBB028200 [0,0,0,0,1,0|1,1,1]=4 36 B6R0.2 NC(=O)CC(=O)O SBB049982 [0,0,0,0,1,0|2,0,0]=3 37 B6R0.2 NC(=O)CC(N)=O SBB044920 [0,0,0,0,1,0|1,0,0]=2 38 B6R0.2 NC(=O)C[N+](=O)[O-] SBB000037 [0,0,0,0,1,0|3,0,0]=4 39 B6R0.2 NC(=S)NC(N)=S SBB069238 [0,0,0,0,1,0|0,2,1]=4 40 B6R0.2 O=C(Cl)CC(=O)Cl SBB060017 [0,0,0,0,1,0|3,0,0]=4 41 B6R0.2 O=C(O)CC(=O)O SBB040552 [0,0,0,0,1,0|3,0,0]=4 42 B8R0.28 NC(=O)COCC(=O)O SBB046438 [0,0,0,0,0,1|3,0,0]=4 43 B8R0.28 NC(=O)CSCC(N)=O SBB058334 [0,0,0,0,0,1|2,0,0]=3 44 B5R0.1 CC(=O)N=S=O SBB059583 [2,0,0,0,0,0|2,0,0]=4 45 B9R0.24 NNC(=O)CCC(=O)NN SBB008164 [0,2,0,0,0,0|2,0,0]=4 46 B7R1.2 CC1=NN=C(N)O1 SBB046365 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.2 CC1=NN=C(N)S1 SBB000045 [1,0,0,1,0,0|1,1,0]=4 48 B7R1.2 CC1=NN=C(S)N1 SBB024699 [1,0,0,1,0,0|1,1,0]=4 49 B7R1.2 NC1=CC(N)=NN1 SBB073418 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.2 NC1=NN=C(Br)S1 SBB013842 [1,0,0,1,0,0|1,1,0]=4 51 B7R1.2 NC1=NN=C(S)S1 SBB007565 [1,0,0,1,0,0|0,2,0]=4 52 B7R1.2 NC1=NNC(N)=N1 SBB004371 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.2 O=C1CCC(=O)N1 SBB040866 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.2 O=C1CSC(=O)N1 SBB000047 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 NC1=CC=CN=N1 SBB051973 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 NC1=NN=CC=N1 SBB004379 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 O=C1N=CC=CN1 SBB004216 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.35 NC(=O)C1=NNC(N)=C1 SBB073347 [0,0,0,1,0,1|1,0,1]=4 59 B9R1.35 O=C1NN=C(C(=O)O)N1 SBB046722 [0,0,0,1,0,1|1,0,1]=4 60 B9R1.69 CC1=CC(=O)NNC1=O SBB079260 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.69 CC1=NN=C(S)NC1=O SBB013154 [0,1,0,1,0,0|1,1,0]=4 62 B9R1.69 CC1=NNC(=O)NC1=O SBB017571 [0,1,0,1,0,0|1,0,1]=4 63 B9R1.69 N1C(=O)C=CC(=O)N1C SBB004253 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.69 NC1=C(Br)C=NC(=O)N1 SBB000280 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.69 NC1=NNC(=O)NC1=O SBB052041 [0,1,0,1,0,0|0,0,1]=3 66 B9R1.69 O=C1NN=C(Br)C(=O)N1 SBB054630 [0,1,0,1,0,0|1,0,1]=4 67 B5R0.5 NC(=S)C(N)=S SBB056453 [0,0,0,0,2,0|0,2,0]=4 68 B9R0.55 NC(=O)CCCCC(N)=O SBB040916 [0,0,0,0,0,2|2,0,0]=4