0 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,1,0,0,0,0|3,0,0]=4 11 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,1,0,0,0,0|2,0,0]=3 15 B8R1.3 CC1=CC=C(N)N=N1 MC444230 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.3 NC1=CC=C(Br)N=N1 CS10641 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.3 NC1=CC=C(Cl)N=N1 CS15607 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.3 NC1=CC=C(F)N=N1 CS17801 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.3 NC1=CC=C(N)N=N1 CS12076 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.3 NC1=CN=C(N)C=C1 CS15186 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.3 NC1=CN=C(N)N=C1 CS19880 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.3 O=C1N=CC(Br)=CN1 CS10266 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.3 O=C1N=CC(I)=CN1 CS10410 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,0|3,0,0]=4 27 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,0,0,0,1,0|3,0,0]=4 28 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,1,0|1,0,0]=2 29 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,0,0,0,1,0|3,0,0]=4 30 B6R0.2 NC(=O)NC(N)=O CS11485 [0,0,0,0,1,0|0,0,1]=2 31 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,1,0|3,0,0]=4 32 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,1,0|3,0,0]=4 33 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,0,0,0,0,1|2,0,1]=4 34 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|1,0,1]=4 35 B5R0.2 O=CNNC=O CS20491 [2,0,0,0,0,0|0,0,2]=4 36 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,1,0,0,1,0|1,0,0]=3 37 B9R0.7 NC(=O)CCC(N)C(N)=O MC437652 [0,1,0,0,0,1|2,0,0]=4 38 B9R0.7 NC(=O)CCC(N)C(N)=O MC437653 [0,1,0,0,0,1|2,0,0]=4 39 B7R1.2 CC1=NC=C(N)N1 MC445566 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.2 CC1=NN=C(N)N1 CS22083 [1,0,0,1,0,0|1,0,0]=3 41 B7R1.2 NC1=CC(N)=NN1 MC106500 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.2 NC1=NCC(=O)N1 MC102809 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.2 NC1=NN=C(Br)S1 CS13944 [1,0,0,1,0,0|1,1,0]=4 44 B7R1.2 NC1=NN=C(Cl)S1 CS12574 [1,0,0,1,0,0|1,1,0]=4 45 B7R1.2 NC1=NN=C(S)S1 MC20709 [1,0,0,1,0,0|0,2,0]=4 46 B7R1.2 NC1=NNC(=O)C1 CS14532 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.2 O=C1CCC(=O)N1 MC41707 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.2 O=C1CSC(=O)N1 CS22526 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.2 O=C1NOC(=O)N1 MC115169 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.3 NC1=CC=CN=N1 CS18539 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.3 NC1=CC=CN=N1 CS19775 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.35 NC1=NN=C(C(=O)O)S1 CS15409 [0,0,0,1,0,1|1,1,0]=4 53 B9R1.69 CC1=CC(=O)N=NC1=O MC427493 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.69 CC1=NC=C(N)C(=O)N1 CS14824 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.69 O=C1C=C(Br)C(=O)NN1 CS15149 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.69 O=C1C=C(Cl)C(=O)NN1 CS22009 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.69 O=C1NN=C(Br)C(=O)N1 CS22521 [0,1,0,1,0,0|1,0,1]=4 58 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,2,0|2,0,0]=4 59 B5R0.5 CC(N)C(N)=O CS15732 [0,0,0,0,2,0|1,0,1]=4 60 B5R0.5 CC(N)C(N)=O CS22529 [0,0,0,0,2,0|1,0,1]=4 61 B5R0.5 CC(N)C(N)=O MC436152 [0,0,0,0,2,0|1,0,1]=4 62 B5R0.5 CC(N)C(N)=O MC436153 [0,0,0,0,2,0|1,0,1]=4 63 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,2,0|0,0,0]=2 64 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,2,0|2,0,0]=4 65 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,2,0|2,0,0]=4 66 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,2,0|2,0,0]=4