0 B8R1.18 CN1CC(=O)NC1=N C00791 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.18 CN1CC(=O)NC1=O C02565 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.18 [*][C@@H]1NC(=O)NC1=O C19825 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.18 [*][C@H]1NC(=O)NC1=O C19824 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 O=C1C=CC(=O)N1 C07272 [1,0,0,0,0,0|1,0,1]=3 5 B7R1.2 O=C1CCC(=O)N1 C07273 [1,0,0,0,0,0|1,0,0]=2 6 B7R1.2 O=C1CCC(=O)O1 C19524 [1,0,0,0,0,0|2,0,0]=3 7 B7R1.2 O=C1CNC(=O)N1 C05146 [1,0,0,0,0,0|0,0,0]=1 8 B7R1.2 O=C1CSC(=S)N1 C07280 [1,0,0,0,0,0|1,1,0]=3 9 B7R1.4 CN1C=CNC1=S C07190 [1,0,0,0,0,0|1,1,1]=4 10 B7R1.4 CN1CCCC1=O C11118 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.4 NC1CCOC1=O C02926 [1,0,0,0,0,0|2,0,1]=4 12 B7R1.4 NC1CONC1=O C06682 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.4 N[C@H]1CCOC1=O C19777 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.4 [C@@H]1(N)CONC1=O C08057 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.37 CN1C(=O)NC(=O)C1=O C11116 [0,1,0,0,0,0|1,0,1]=3 16 B7R0.2 CN(CC(=O)O)N=O C19286 [0,0,1,0,0,0|3,0,0]=4 17 B7R0.2 COC(=O)NC(N)=O C10899 [0,0,1,0,0,0|3,0,0]=4 18 B7R0.2 [*]SC(=O)CC(C)=O C05744 [0,0,1,0,0,0|3,0,0]=4 19 B7R0.5 N[C@@H](CC=O)C(=O)O C00441 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.5 O=CCC(=O)C(=O)O C02150 [0,0,1,0,0,0|3,0,0]=4 21 B7R1.15 O=C1C=C(O)C1=O C20592 [0,0,0,0,1,0|2,0,1]=4 22 B9R1.34 O=C1CC(=O)NC(=O)N1 C00813 [0,0,0,0,0,1|2,0,0]=3 23 B9R1.69 CC1=CNC(=O)N=C1N C02376 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.69 CC1=CNC(=O)NC1=O C00178 [0,0,0,0,0,1|2,0,1]=4 25 B9R1.69 CC1CNC(=O)NC1=O C00906 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.69 C[C@@H]1CNC(=O)NC1=O C21028 [0,0,0,0,0,1|2,0,0]=3 27 B9R1.69 O=C1NC=C(F)C(=O)N1 C07649 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.69 O=C1NCC(F)C(=O)N1 C16630 [0,0,0,0,0,1|2,0,0]=3 29 B6R0.2 CC(=O)CC(=O)O C00164 [1,0,1,0,0,0|2,0,0]=4 30 B6R0.2 CC(=O)CC(=O)[O-] C17688 [1,0,1,0,0,0|2,0,0]=4 31 B6R0.2 CC(=O)CC(C)=O C15499 [1,0,1,0,0,0|2,0,0]=4 32 B6R0.2 CC(=O)CC(N)=O C11106 [1,0,1,0,0,0|1,0,0]=3 33 B6R0.2 NC(=O)CC(=O)O C04131 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.2 NC(=O)NC(=O)O C01010 [1,0,1,0,0,0|1,0,0]=3 35 B6R0.2 NC(=O)NC(N)=O C06555 [1,0,1,0,0,0|1,0,0]=3 36 B6R0.4 N=CNCC(=O)O C02718 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.4 O=CCCC(=O)O C00232 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.3 CN(N=O)C(N)=O C14595 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.3 N[C@@H](C=O)C(=O)O C11822 [1,0,1,0,0,0|2,0,0]=4 40 B6R0.3 [*]NC(=O)[C@H](C)N C03803 [1,0,1,0,0,0|2,0,0]=4 41 B6R1.2 O=C1C=CCO1 C17601 [2,0,0,0,0,0|2,0,0]=4 42 B6R1.2 O=C1C=CNO1 C20891 [2,0,0,0,0,0|2,0,0]=4 43 B6R1.2 O=C1CC=CO1 C17602 [2,0,0,0,0,0|2,0,0]=4 44 B6R1.2 O=C1CNC=N1 C06195 [2,0,0,0,0,0|0,0,1]=3 45 B6R1.2 O=C1NC=CN1 C20382 [2,0,0,0,0,0|0,0,1]=3 46 B6R1.2 O=C1NCCO1 C06695 [2,0,0,0,0,0|1,0,1]=4 47 B6R1.2 S=C1NCCN1 C14398 [2,0,0,0,0,0|0,1,1]=4 48 B8R0.23 CC(=O)C[C@@H](N)C(=O)O C03341 [0,1,1,0,0,0|2,0,0]=4 49 B8R0.23 CN(CC(=O)O)C(N)=O C01043 [0,1,1,0,0,0|2,0,0]=4 50 B8R0.23 NC(=O)CC(=O)C(=O)O C02362 [0,1,1,0,0,0|2,0,0]=4 51 B8R0.23 NC(=O)CC(N)C(=O)O C16438 [0,1,1,0,0,0|1,0,0]=3 52 B8R0.23 NC(=O)C[C@@H](N)C(=O)O C01905 [0,1,1,0,0,0|1,0,0]=3 53 B8R0.23 NC(=O)C[C@H](N)C(=O)O C00152 [0,1,1,0,0,0|1,0,0]=3 54 B8R0.23 NC(=O)N[C@H](N)C(=O)O C02091 [0,1,1,0,0,0|2,0,0]=4 55 B8R0.23 NC(CC(=O)O)C(=O)O C16433 [0,1,1,0,0,0|2,0,0]=4 56 B8R0.23 N[C@@H](CC(=O)O)C(=O)O C00049 [0,1,1,0,0,0|2,0,0]=4 57 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] C13058 [0,1,1,0,0,0|2,0,0]=4 58 B8R0.23 N[C@H](CC(=O)O)C(=O)O C00402 [0,1,1,0,0,0|2,0,0]=4 59 B8R0.8 N[C@@H](CCC=O)C(=O)O C01165 [0,1,1,0,0,0|2,0,0]=4 60 B10R1.22 CC1C(=O)NC(=O)NC1=O C05281 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.475 CCC1(C)CC(=O)NC1=O C07505 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.4 O=C1C=CNC(=O)N1 C00106 [0,0,1,1,0,0|1,0,1]=4 63 B8R1.4 O=C1CCCC(=O)N1 C07275 [0,0,1,1,0,0|2,0,0]=4 64 B8R1.4 O=C1CCNC(=O)N1 C00429 [0,0,1,1,0,0|1,0,0]=3 65 B8R0.9 NCC(=O)NCC(=O)O C02037 [0,0,1,0,0,1|2,0,0]=4 66 B8R0.9 N[C@H](C=O)CCC(=O)O C03741 [0,0,1,0,0,1|2,0,0]=4 67 B8R0.9 [*]NC(=O)CNC([*])=O C05197 [0,0,1,0,0,1|2,0,0]=4 68 B8R0.9 [*]NC(=O)[CH]NC([*])=O C05312 [0,0,1,0,0,1|2,0,0]=4 69 B8R1.3 O=C1C=CC(=O)NN1 C18474 [1,0,0,0,0,1|1,0,1]=4 70 B8R1.3 O=C1CCC(=O)CC1 C08063 [1,0,0,0,0,1|2,0,0]=4 71 B8R1.3 O=C1CNC(=O)CN1 C02777 [1,0,0,0,0,1|0,0,0]=2