0 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.18 CC1NC(=O)CC1O 94943 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.18 CN1N=C(N)CC1=O F17277 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 CN1NC(=O)NC1=O AT21268 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.18 C[C@@H]1NC(=O)NC1=O A12693 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.18 C[C@@H]1NC(=S)NC1=O W17250 [0,0,0,0,0,0|3,1,0]=4 11 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 C[C@@H]1SC(=O)NC1=O D73569 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.18 N[C@H]1CC(=O)NC1=O AT18952 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.18 N[C@H]1CC(=O)NC1=O AT18959 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.18 N[C@H]1CC(=O)NC1=O AT18960 [0,0,0,0,0,0|1,0,0]=1 17 B8R1.18 N[C@H]1SC(=O)NC1=O W10077 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.2 CN1C=NC(=O)N1 AT21263 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,0,0,0|2,0,1]=4 23 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,0,0,0|1,0,1]=3 24 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,0,0,0|1,0,1]=3 25 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,0,0,0|2,0,1]=4 26 B7R1.2 O=C1C=C(O)CN1 F14818 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 O=C1CCC(=S)N1 N13285 [1,0,0,0,0,0|1,1,0]=3 29 B7R1.2 O=C1CNC(=O)S1 C15052 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [1,0,0,0,0,0|1,1,1]=4 31 B7R1.2 O=C1C[C@H](S)CN1 39278 [1,0,0,0,0,0|1,1,1]=4 32 B7R1.2 O=C1NC(=S)CS1 D74680 [1,0,0,0,0,0|1,1,0]=3 33 B7R1.2 O=C1NC(O)=CS1 D73417 [1,0,0,0,0,0|1,0,2]=4 34 B7R1.2 O=C1NN=C(Cl)S1 AT18993 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.2 S=C1CCC(=S)N1 N13284 [1,0,0,0,0,0|1,2,0]=4 36 B7R1.4 CC1=C(N)N=CN1 C15418 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.4 CN1C=NNC1=O AT21258 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.4 CN1N=CNC1=O AT21264 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.4 CN1N=NNC1=O E71860 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.4 NN1C=NNC1=O AT21265 [1,0,0,0,0,0|1,0,1]=3 42 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.37 CN1C(=O)C[C@H](N)C1=O AT19101 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.37 CN1C(=O)C[C@H](O)C1=O AT19102 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.37 CN1C(=O)NC(=O)C1=O 74935 [0,1,0,0,0,0|1,0,1]=3 46 B9R1.37 CN1NC(=O)N(C)C1=O AT21278 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20207 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20209 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.37 C[C@H]1C(=O)CC(=O)N1C CS3303 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.37 C[C@H]1C(=O)OC(=O)N1C P20629 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [0,0,0,0,0,1|2,0,0]=3 52 B9R1.69 C[C@@H]1SCC(=O)NC1=O AT25440 [0,0,0,0,0,1|2,0,0]=3 53 B9R1.69 C[C@H]1CN(C)C(=O)CN1 F19683 [0,0,0,0,0,1|2,0,1]=4 54 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10819 [0,0,0,0,0,1|2,0,1]=4 55 B9R1.69 C[C@H]1CNC(=O)CC1=O 27246 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.69 NC1=CC(Cl)=NNC1=O W19056 [0,0,0,0,0,1|2,0,1]=4 57 B9R1.69 NC1=CC(F)=CNC1=O AT11533 [0,0,0,0,0,1|2,0,1]=4 58 B9R1.69 NC1=CNC(=O)N=C1N W10167 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.69 N[C@H]1CCC(=O)NC1=O AC9237 [0,0,0,0,0,1|1,0,0]=2 60 B6R0.3 C[C@H](N)C(=O)NO AT14787 [1,0,1,0,0,0|1,0,1]=4 61 B6R0.3 C[C@H](N)C(=O)NO AT14821 [1,0,1,0,0,0|1,0,1]=4 62 B6R0.3 NC(=O)[C@@H](N)CO D75097 [1,0,1,0,0,0|1,0,1]=4 63 B6R0.3 NC(=O)[C@@H](N)CO D75099 [1,0,1,0,0,0|1,0,1]=4 64 B6R1.2 N=C1NCCN1 AT25110 [2,0,0,0,0,0|1,0,1]=4 65 B6R1.2 NC1=CNC=N1 P20245 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 O=C1CCON1 A11072 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 O=C1CNCN1 C15062 [2,0,0,0,0,0|0,0,1]=3 68 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21180 [0,1,1,0,0,0|2,0,0]=4 69 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] C15723 [0,1,1,0,0,0|2,0,0]=4 70 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [0,1,1,0,0,0|1,0,0]=3 71 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [0,1,1,0,0,0|2,0,0]=4 72 B8R1.1 CSC1=NNC(=O)N1 AT21280 [1,1,0,0,0,0|1,1,0]=4 73 B8R1.1 NCC1=NNC(=O)N1 AT10971 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.50 NN1C(=O)CNC1=O AT20204 [1,1,0,0,0,0|0,0,0]=2 75 B8R1.51 O=C1CCS(=O)(=O)N1 AT12404 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.25 NC1=C(O)C(=O)C1=O AT20480 [0,1,0,0,1,0|1,0,1]=4 77 B10R1.8 NCC1=CC(=O)NC(=O)N1 83338 [0,1,0,0,0,1|1,0,1]=4 78 B10R1.22 NC1=C(N)C(=O)NC(=O)N1 F14724 [0,1,0,0,0,1|1,0,1]=4 79 B10R1.329 CC1(C)CC(=O)NC(=O)N1 F17286 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.25 CCN1C=CC(=O)NC1=O AT19350 [0,1,0,0,0,1|1,0,1]=4 81 B10R1.30 CCN1CC(=O)NCC1=O AT13734 [0,1,0,0,0,1|1,0,0]=3 82 B10R1.63 C[C@]1(N)CCC(=O)NC1=O AC5324 [0,1,0,0,0,1|1,0,0]=3 83 B10R1.118 CN1C=C(F)C(=O)NC1=O AT19357 [0,1,0,0,0,1|1,0,1]=4 84 B10R1.118 CN1C=C(N)C(=O)NC1=O AT19351 [0,1,0,0,0,1|1,0,1]=4 85 B10R1.119 CN1C(=O)CC[C@H](N)C1=O AT18260 [0,1,0,0,0,1|1,0,0]=3 86 B10R1.119 CN1CCC(=O)N(C)C1=O F21298 [0,1,0,0,0,1|1,0,0]=3 87 B10R1.119 [2H]N1C=CC(=O)N([2H])C1=O D98948 [0,1,0,0,0,1|1,0,1]=4 88 B10R1.34 CN1C(=O)C[C@H](CN)C1=O AT19083 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.4 O=C1NCNC(=O)N1 T72202 [0,0,1,1,0,0|2,0,0]=4 91 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,0,1,0|1,0,1]=4 92 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,0,1,0|1,0,1]=4 93 B8R0.9 CNC(=O)NCC(=O)O AT23077 [0,0,1,0,0,1|2,0,0]=4 94 B8R0.9 NCC(=O)NCC(N)=O AC8959 [0,0,1,0,0,1|2,0,0]=4 95 B8R0.9 NNC(=O)NCC(=O)O E70069 [0,0,1,0,0,1|1,0,0]=3 96 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [1,0,0,0,0,1|1,0,1]=4 97 B8R1.3 O=C1CCC(=O)NN1 D87745 [1,0,0,0,0,1|1,0,0]=3 98 B8R1.3 O=C1COC(=O)CN1 P10244 [1,0,0,0,0,1|1,0,0]=3