0 B6R0.2 CC(=O)NC(C)C P50955 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(O)CC(=O)O P38963 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.2 CN(C)CC(N)=O P36935 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 C[C@@H](N)CC(=O)O P38442 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C[C@@H](O)CC(=O)O P36990 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 C[C@H](N)CC(=O)O P38443 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 C[C@H](O)CC(=O)O P37046 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.2 C#CC(=O)OC(C)C S86242 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.2 CC(C)NC(=O)CBr P36229 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 CC(C)NC(=O)CN P36647 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 CC(C)NC(=O)CN P37073 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.2 CCC(=O)CC(C)=O O31794 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.2 CNC(=O)CC(=O)O P38150 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.2 COC(=O)CC(C)N P41489 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.2 COC(=O)CN(C)C P36457 [0,1,0,0,0,0|3,0,0]=4 17 B7R0.2 COC(=O)C[C@@H](C)N Q68958 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.2 COC(=O)C[N+](=O)[O-] P45896 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.2 CC1=NC(=O)NN1 O30153 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.2 CC1=NN=C(C)N1 C-2341 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 CC1CNC(=O)O1 P51279 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 C[C@@H]1CNC(=O)O1 P42625 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 N=C1CSC(=O)N1 L20743 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.2 NC1=CC(=O)CC1 O29931 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.2 O=C1C=C(Br)CN1 H-8451 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.2 O=C1CCC(=O)C1 I-9301 [0,0,0,1,0,0|1,0,0]=2 27 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.2 O=C1CNC(=O)C1 L18257 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.2 S=C1CCC(=S)N1 M15166 [0,0,0,1,0,0|1,2,0]=4 32 B7R1.16 CC1(C)CC(=O)C1 L21874 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.16 CC1(C)CC(=O)N1 P45568 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.16 CC1(N)CC(=O)C1 O33169 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.16 O=C1CS(=O)(=O)C1 H-8152 [0,0,0,1,0,0|3,0,0]=4 36 B5R0.5 C=C(F)C(=O)O P51526 [0,0,0,0,1,0|2,0,1]=4 37 B5R0.5 CC(N)C(N)=O P37963 [0,0,0,0,1,0|2,0,1]=4 38 B5R0.5 CC(O)C(N)=O P39940 [0,0,0,0,1,0|1,0,2]=4 39 B5R0.5 C[C@@H](O)C(N)=O P37171 [0,0,0,0,1,0|1,0,2]=4 40 B7R0.6 CC(=O)OCC(C)O P36972 [0,0,0,0,0,1|0,0,2]=3 41 B7R0.6 CC(C)=CCC(=O)O P43260 [0,0,0,0,0,1|3,0,0]=4 42 B7R0.6 CC(C)OCC(=O)O P38749 [0,0,0,0,0,1|2,0,1]=4 43 B4R0.1 C#CC(C)=O P41295 [2,0,0,0,0,0|0,0,2]=4 44 B4R0.1 CC(=O)CN P45193 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 COCC=O F-4461 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.1 CCNC(=O)CN P39222 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.1 CCNC(=O)CO O31312 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.1 CCNC(=O)NC M15284 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.1 CCOC(=N)CCl P38507 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.1 CNCC(=O)NC P37691 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.1 CNCC(=O)NC P38046 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.3 C\C=C(/F)C(=O)O F-4310 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 O=C(O)\C=C\CBr P41388 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.4 O=CNCC(=O)O P39379 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.9 COC(=O)CNC(C)=O P42621 [0,1,0,0,0,1|1,0,0]=3 56 B8R0.9 NCC(=O)CCC(=O)O P37517 [0,1,0,0,0,1|2,0,0]=4 57 B8R0.23 CC(=O)N(C)CC(=O)O P37214 [0,1,0,0,0,1|2,0,0]=4 58 B8R0.23 CC(=O)NC(=O)C(N)=O S86732 [0,1,0,0,0,1|2,0,0]=4 59 B8R0.23 CC(=O)O[C@H](C)C(=O)Cl H-8722 [0,1,0,0,0,1|1,0,0]=3 60 B8R0.5 CCCC(=O)CC(C)=O O29704 [0,2,0,0,0,0|1,0,0]=3 61 B8R0.24 CC(C)(C)OC(=O)CN P36852 [0,2,0,0,0,0|1,0,1]=4 62 B8R0.24 CNC(=O)OC(C)(C)C P40845 [0,2,0,0,0,0|1,0,1]=4 63 B6R1.2 O=C1CCNC1 C-2247 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.2 O=C1CCNC1 S72535 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.2 O=C1CCSC1 G-7753 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|1,0,1]=4 68 B6R1.5 CN1CC(=O)C1 L18430 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.5 CN1CC(=O)C1 P49738 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.4 CC1CCC1=O P47956 [0,0,0,1,1,0|1,0,1]=4 71 B6R1.4 CC1OCC1=O L18036 [0,0,0,1,1,0|0,0,2]=4 72 B6R1.4 NN1CCC1=O P48248 [0,0,0,1,1,0|2,0,0]=4 73 B6R1.4 O=C1CCC1Br P49445 [0,0,0,1,1,0|1,0,1]=4 74 B6R1.4 O=C1CCC1O P47312 [0,0,0,1,1,0|0,0,2]=4 75 B8R1.3 C=C1CCC(=O)CC1 P44029 [0,0,0,1,0,1|2,0,0]=4 76 B8R1.3 O=C1CCC(=O)NC1 Q52611 [0,0,0,1,0,1|1,0,0]=3 77 B8R1.3 O=C1CCC(=O)OC1 K12424 [0,0,0,1,0,1|0,0,0]=2 78 B8R1.23 CC(=O)N1CC(=O)C1 P47097 [0,0,0,1,0,1|1,0,0]=3 79 B8R1.23 O=C1CC(C(=O)O)C1 D-2503 [0,0,0,1,0,1|2,0,0]=4 80 B8R1.23 O=C1CC(C(=O)O)N1 P34768 [0,0,0,1,0,1|2,0,0]=4 81 B8R1.23 O=C1CC(C(=O)O)O1 P44894 [0,0,0,1,0,1|1,0,0]=3 82 B8R1.23 O=C1C[C@@H](C(=O)O)N1 I-9933 [0,0,0,1,0,1|2,0,0]=4 83 B8R1.23 O=C1C[C@H](C(=O)O)N1 I-9634 [0,0,0,1,0,1|2,0,0]=4 84 B8R1.51 CC1(C)CC(=O)NO1 Q70064 [0,0,0,1,0,1|1,0,1]=4 85 B8R1.1 CC1=CN=C(CN)O1 O33597 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,1,0,0|0,0,2]=4 87 B8R1.4 CC1=CCCC(=O)C1 O32064 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.4 NC1=CC(=O)COC1 O33523 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.4 O=C1CCCC(=O)C1 P44675 [0,1,0,1,0,0|1,0,0]=3 90 B8R1.4 O=C1CCNC(=O)C1 B-1275 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.4 O=C1CCOC(=O)C1 H-8796 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.4 O=C1CNCC(=O)N1 L14058 [0,1,0,1,0,0|1,0,0]=3 93 B8R1.4 O=C1COCC(=O)C1 G-6233 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.4 O=C1COCC(=O)N1 P38066 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.4 O=C1CSCC(=O)C1 O33436 [0,1,0,1,0,0|1,0,0]=3 96 B8R1.18 CN1CC(=O)CC1=O Q55049 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.31 O=C(O)C1CNC1=O P47917 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.31 O=C(O)[C@@H]1CNC1=O P46680 [0,1,0,1,0,0|2,0,0]=4 99 B8R1.31 O=C(O)[C@H]1CNC1=O P46158 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.34 CC(=O)C=C1CNC1 P46729 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.34 CC(=O)OC1CNC1 P42388 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.40 COC(=O)C=C1CC1 H-8420 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.50 O=C1CCC(O)=C1F Q54658 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.50 O=C1CCC(O)=C1I Q54659 [0,1,0,1,0,0|1,0,1]=4