0 B7R0.6 C(#CC(=O)N)C(=O)N PI-29683 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 C(#CC(=O)[O-])C(=O)O PI-32778 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 C(CC(=O)[O-])C(=O)[O-] PI-13200 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(=O)C=CC(=O)O PI-29616 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 CC(=O)CCC(=O)C PI-48500 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 CC(=O)NCC(=O)C PI-36400 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(=O)NCC(=O)O PI-33247 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 CC(=O)NNC(=O)C PI-30465 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.6 CC(=O)NNC(=S)N PI-30346 [0,0,0,0,0,0|1,1,2]=4 9 B7R0.6 CC(=O)OCC(=O)Cl PI-13657 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 CC(=O)OCC(=O)O PI-26120 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.6 NC(=N)SSC(=N)N PI-18204 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 O=C([O-])CCC([O-])=O PI-13219 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 C(C(=O)O)NC=O PI-33231 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CC=NNC(=O)N PI-26775 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.9 NCC(=O)CCC(=O)O PI-10027 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.9 NCC(=O)NCC(=O)O PI-10062 [0,1,0,0,0,0|2,0,1]=4 17 B8R1.3 C1=C(C=NC(=N1)N)N PI-34826 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.3 C1=C(C=NC(=O)N1)Br PI-31176 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.3 C1=C(C=NC(=O)N1)I PI-32628 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.3 C1=C(N=CC(=O)N1)Cl PI-45666 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.3 C1=C(N=NC(=N1)N)Br PI-41777 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.3 C1=CC(=NC=C1N)N PI-33879 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.3 C1=CC(=NN=C1N)Cl PI-30704 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.3 CC1=NN=C(C=C1)N PI-44739 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.3 NC1=CN=C(N)C=C1 PI-16689 [0,0,0,1,0,0|3,0,0]=4 26 B6R0.2 C\C(=C/C(=O)C)\N PI-38617 [0,0,0,0,1,0|3,0,0]=4 27 B6R0.2 NC(=N)NC(=S)N PI-12147 [0,0,0,0,1,0|1,1,1]=4 28 B6R0.2 NC(NC(N)=S)=S PI-29680 [0,0,0,0,1,0|0,2,1]=4 29 B8R0.28 C(C(=O)N)SCC(=O)N PI-29144 [0,0,0,0,0,1|2,0,0]=3 30 B5R0.1 C\C=C\C(=O)N PI-50568 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.2 C(=O)NNC=O PI-50265 [2,0,0,0,0,0|0,0,2]=4 32 B5R0.2 O=CCCC=O PI-14232 [2,0,0,0,0,0|2,0,0]=4 33 B9R0.24 C(CC(=O)NN)C(=O)NN PI-50262 [0,2,0,0,0,0|2,0,0]=4 34 B7R1.2 C1(=NN=C(S1)Br)N PI-31668 [1,0,0,1,0,0|1,1,0]=4 35 B7R1.2 C1(=NNC(=O)N1)N PI-44085 [1,0,0,1,0,0|0,0,1]=3 36 B7R1.2 C1C(=O)NC(=O)S1 PI-10988 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.2 CC1=CC(=O)N=N1 PI-30060 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.2 CC1=NN=C(C)N1 PI-41438 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.2 CC1=NN=C(S1)N PI-30061 [1,0,0,1,0,0|1,1,0]=4 40 B7R1.2 Cc1nnc(o1)N PI-38338 [1,0,0,1,0,0|1,0,1]=4 41 B7R1.2 NC1=NC=C(C)N1 PI-40524 [1,0,0,1,0,0|2,0,0]=4 42 B7R1.2 NC1=NN=C(Cl)S1 PI-46759 [1,0,0,1,0,0|1,1,0]=4 43 B7R1.2 O=C1C=CC(=O)N1 PI-29681 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.3 C1=CNC(=O)N=C1 PI-32626 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.3 C1=CNC(=O)N=C1 PI-33107 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 Nc1cccnn1 PI-38601 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.69 Brc1n[nH]c(=O)[nH]c1=O PI-10278 [0,1,0,1,0,0|1,0,1]=4 48 B9R1.69 C1(=O)C(=NNC(=O)N1)[S-] PI-16311 [0,1,0,1,0,0|1,0,1]=4 49 B9R1.69 CC1=C(NC(=O)N=C1)N PI-30711 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.69 CC1=C(NC(=O)N=C1)N PI-30742 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.69 CC1=CC(=O)NNC1=O PI-44271 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.69 O=C1C(N)=NC=C(Br)N1 PI-46778 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.69 O=C1N=CC(I)=C(N)N1 PI-37012 [0,1,0,1,0,0|2,0,0]=4 54 B5R0.5 CC(=O)C(=O)[O-] PI-15478 [0,0,0,0,2,0|2,0,0]=4 55 B5R0.5 CC(=O)C(=O)[O-] PI-15479 [0,0,0,0,2,0|2,0,0]=4 56 B5R0.5 CC(=O)C(=O)[O-] PI-15480 [0,0,0,0,2,0|2,0,0]=4 57 B5R0.5 CC(=O)C(=O)[O-] PI-15481 [0,0,0,0,2,0|2,0,0]=4 58 B5R0.5 CC(C(=O)N)N PI-16292 [0,0,0,0,2,0|1,0,1]=4 59 B5R0.5 CC(C(=O)N)N PI-42205 [0,0,0,0,2,0|1,0,1]=4 60 B5R0.5 NC(=S)C(=S)N PI-18908 [0,0,0,0,2,0|0,2,0]=4 61 B5R0.5 OC(=O)C(=O)C PI-15477 [0,0,0,0,2,0|2,0,0]=4