0 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 C=C(C)COC(=O)N S352055 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(=NNC(=O)N)C S449784 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 NC(=O)NCC(=O)O L100056 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 NC(=O)NNC(=O)N S371467 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.6 NC(=S)NCC(=O)O S521191 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.6 O=C(O)CCC(=O)O S427594 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 O=C([O-])C#CC(=O)[O-] R647284 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.9 C(=C\C(=O)NC)\C(=O)O R436445 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.9 C(=C\C(=O)NC)\C(=O)O S626813 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.9 CNC(=O)CNC(=O)C S782807 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.9 NCC(=O)NCC(=O)O S456829 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.23 CC(=O)NC(C)C(=O)N S784060 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.23 NC(=O)CC(Br)C(=O)O PH007627 [0,1,0,0,0,0|3,0,0]=4 14 B8R0.23 OC(=O)[C@H](O)CC(=O)N PH009423 [0,1,0,0,0,0|3,0,0]=4 15 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,0,0,1,0,0|3,0,0]=4 17 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,0,0,1,0|3,0,0]=4 18 B6R0.2 CC(=S)CC(=O)N S704164 [0,0,0,0,1,0|2,1,0]=4 19 B6R0.2 N=C(N)CC(=N)N S262242 [0,0,0,0,1,0|3,0,0]=4 20 B6R0.2 N=C(N)NC(=O)N S414786 [0,0,0,0,1,0|1,0,1]=3 21 B6R0.2 N=C(N)NC(=O)N S414980 [0,0,0,0,1,0|1,0,1]=3 22 B6R0.2 NC(=O)CC(=O)O S937436 [0,0,0,0,1,0|2,0,0]=3 23 B8R0.28 CC(=O)CCCC(=O)N PH008391 [0,0,0,0,0,1|3,0,0]=4 24 B8R0.28 NC(=O)CCCC(=O)O CBR00275 [0,0,0,0,0,1|3,0,0]=4 25 B8R0.28 NC(=O)COCC(=O)N PH008890 [0,0,0,0,0,1|2,0,0]=3 26 B8R0.28 NC(=O)COCC(=O)O CBR00075 [0,0,0,0,0,1|3,0,0]=4 27 B8R0.28 NC(=O)CSCC(=O)N S365033 [0,0,0,0,0,1|2,0,0]=3 28 B8R0.28 NC(=O)CSCC(=O)O EME00128 [0,0,0,0,0,1|3,0,0]=4 29 B5R0.1 CC(=O)/C=C\N S312274 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 NCCC(=O)N CDS000027 [2,0,0,0,0,0|1,0,1]=4 31 B9R0.7 NC(=O)CC[C@H](N)C(=O)N CDS008161 [0,1,0,0,0,1|2,0,0]=4 32 B9R0.53 CC(CC(=O)N)CC(=O)N S595306 [0,1,0,0,0,1|2,0,0]=4 33 B9R0.24 CNC(=O)CCC(=O)NC S374857 [0,2,0,0,0,0|2,0,0]=4 34 B9R0.24 CNC(=O)NNC(=O)NC PH007224 [0,2,0,0,0,0|0,0,2]=4 35 B9R0.79 NC(=O)C(O)C(O)C(=O)N S168580 [0,2,0,0,0,0|2,0,0]=4 36 B7R1.2 CC1=NN=C(N1)N CDS003576 [1,0,0,1,0,0|1,0,0]=3 37 B7R1.2 CC1=NN=C(O1)N PH010741 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.2 NC1=CC(=NO1)N CBR01619 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.2 NC1=CC(=O)N=N1 S561037 [1,0,0,1,0,0|1,0,0]=3 40 B7R1.2 OC1=NN=C(N1)S CDS012623 [1,0,0,1,0,0|0,1,1]=4 41 B9R1.35 NC(=O)C1=NNC(=C1)N CBR00929 [0,0,0,1,0,1|1,0,1]=4 42 B9R1.69 N1C(=O)NN=C(C1=O)Br S948837 [0,1,0,1,0,0|1,0,1]=4 43 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,1,0,1,0,0|2,0,0]=4 44 B5R0.5 O=C(O)C(=O)O S647829 [0,0,0,0,2,0|2,0,0]=4 45 B9R0.55 NC(=O)NCCNC(=O)N S347906 [0,0,0,0,0,2|0,0,2]=4