0 B21R1.140169 C#CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000692101 [0,0,0,0,0,0|3,0,0]=3 1 B21R1.140169 C#CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000692101 [0,0,0,0,0,0|3,0,0]=3 2 B21R1.140169 C#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100000212058_100009816400 [0,0,0,0,0,0|4,0,0]=4 3 B21R1.140169 C#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000212058_100009816400 [0,0,0,0,0,0|4,0,0]=4 4 B21R1.140169 C#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000212058 [0,0,0,0,0,0|4,0,0]=4 5 B21R1.140169 C#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100000212058_100009816400 [0,0,0,0,0,0|4,0,0]=4 6 B21R1.140169 C=CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000749702 [0,0,0,0,0,0|3,0,0]=3 7 B21R1.140169 C=CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000749702 [0,0,0,0,0,0|3,0,0]=3 8 B21R1.140169 C=CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100020586998 [0,0,0,0,0,0|4,0,0]=4 9 B21R1.140169 C=CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100020586998_100009816400 [0,0,0,0,0,0|4,0,0]=4 10 B21R1.140169 C=CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100020586998_100009816400 [0,0,0,0,0,0|4,0,0]=4 11 B21R1.140169 CC=CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100121576822 [0,0,0,0,0,0|3,0,0]=3 12 B21R1.140169 CC=CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100121576822 [0,0,0,0,0,0|3,0,0]=3 13 B21R1.140169 CCC=CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000212282 [0,0,0,0,0,0|3,0,1]=4 14 B21R1.140169 CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000210183 [0,0,0,0,0,0|3,0,0]=3 15 B21R1.140169 CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000210183 [0,0,0,0,0,0|3,0,0]=3 16 B21R1.140169 CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100020643023_100009816400 [0,0,0,0,0,0|4,0,0]=4 17 B21R1.140169 CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100020643023 [0,0,0,0,0,0|4,0,0]=4 18 B21R1.140169 CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100020643023_100009816400 [0,0,0,0,0,0|4,0,0]=4 19 B21R1.140169 CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100020643023_100009816400 [0,0,0,0,0,0|4,0,0]=4 20 B21R1.140169 CCOCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000211967 [0,0,0,0,0,0|3,0,0]=3 21 B21R1.140169 CCOCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000211967 [0,0,0,0,0,0|3,0,0]=3 22 B21R1.140169 CCSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000230394 [0,0,0,0,0,0|3,0,0]=3 23 B21R1.140169 CCSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000230394 [0,0,0,0,0,0|3,0,0]=3 24 B21R1.140169 COC=CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100016268678 [0,0,0,0,0,0|3,0,1]=4 25 B21R1.140169 COCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000749529 [0,0,0,0,0,0|3,0,0]=3 26 B21R1.140169 COCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000749529 [0,0,0,0,0,0|3,0,0]=3 27 B21R1.140169 CSCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000174002 [0,0,0,0,0,0|3,0,0]=3 28 B21R1.140169 CSCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000174002 [0,0,0,0,0,0|3,0,0]=3 29 B21R1.140169 N#CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011934036 [0,0,0,0,0,0|2,0,1]=3 30 B21R1.140169 N#CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011934036 [0,0,0,0,0,0|2,0,1]=3 31 B21R1.140169 N#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100000734998_100009816400 [0,0,0,0,0,0|3,0,1]=4 32 B21R1.140169 N#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000734998_100009816400 [0,0,0,0,0,0|3,0,1]=4 33 B21R1.140169 N#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000734998 [0,0,0,0,0,0|3,0,1]=4 34 B21R1.140169 N#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100000734998_100009816400 [0,0,0,0,0,0|3,0,1]=4 35 B21R1.140169 O=C(NCCF)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000724931_100009816400 [0,0,0,0,0,0|4,0,0]=4 36 B21R1.140169 O=C(NCCF)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000724931 [0,0,0,0,0,0|4,0,0]=4 37 B21R1.140169 [N-]=[N+]=NCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000751907 [0,0,0,0,0,0|0,0,0]=0 38 B20R1.73415 C#CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011220946 [1,0,0,0,0,0|2,0,0]=3 39 B20R1.73415 C=CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000210193 [1,0,0,0,0,0|2,0,0]=3 40 B20R1.73415 C=CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000210193 [1,0,0,0,0,0|2,0,0]=3 41 B20R1.73415 CC=CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000210699 [1,0,0,0,0,0|2,0,1]=4 42 B20R1.73415 CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000211992 [1,0,0,0,0,0|2,0,0]=3 43 B20R1.73415 CCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000211992 [1,0,0,0,0,0|2,0,0]=3 44 B20R1.73415 CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100015525214_100009816400 [1,0,0,0,0,0|2,0,1]=4 45 B20R1.73415 CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100015525214 [1,0,0,0,0,0|2,0,1]=4 46 B20R1.73415 CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100015525214_100009816400 [1,0,0,0,0,0|2,0,1]=4 47 B20R1.73415 CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100015525214_100009816400 [1,0,0,0,0,0|2,0,1]=4 48 B20R1.73415 COCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000210968 [1,0,0,0,0,0|2,0,0]=3 49 B20R1.73415 COCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000210968 [1,0,0,0,0,0|2,0,0]=3 50 B20R1.73415 CSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000184570 [1,0,0,0,0,0|2,0,0]=3 51 B20R1.73415 CSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000184570 [1,0,0,0,0,0|2,0,0]=3 52 B20R1.73415 N#CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100051588842 [1,0,0,0,0,0|1,0,1]=3 53 B20R1.73415 O=C(C=CBr)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100016273825 [1,0,0,0,0,0|2,0,1]=4 54 B20R1.73415 O=C(C=CCl)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_200016279998 [1,0,0,0,0,0|2,0,1]=4 55 B20R1.73415 O=C(CCO)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011216618 [1,0,0,0,0,0|2,0,0]=3 56 B20R1.111662 CSc1ccc(cc1)[C@H](O)[C@H](CO)NC(=O)CN=[N+]=[N-] 240690a_200000009158_100000751907 [1,0,0,0,0,0|2,0,0]=3 57 B22R1.208713 C=CCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011216819 [0,1,0,0,0,0|3,0,0]=4 58 B22R1.208713 C=CCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011216819 [0,1,0,0,0,0|3,0,0]=4 59 B22R1.208713 CCCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000210906 [0,1,0,0,0,0|3,0,0]=4 60 B22R1.208713 CCCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000210906 [0,1,0,0,0,0|3,0,0]=4 61 B22R1.208713 CCC[C@H](O)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100009822183 [0,1,0,0,0,0|3,0,0]=4 62 B22R1.208713 CCOC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000739345 [0,1,0,0,0,0|3,0,0]=4 63 B22R1.208713 CCOC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000739345 [0,1,0,0,0,0|3,0,0]=4 64 B22R1.208713 CCSC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000230601 [0,1,0,0,0,0|3,0,0]=4 65 B22R1.208713 CCSC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000230601 [0,1,0,0,0,0|3,0,0]=4 66 B22R1.208713 CO/N=C(\C)/C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100160996864 [0,1,0,0,0,0|2,0,1]=4 67 B22R1.208713 COCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000751857 [0,1,0,0,0,0|3,0,0]=4 68 B22R1.208713 COCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000751857 [0,1,0,0,0,0|3,0,0]=4 69 B22R1.208713 CSCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000753918 [0,1,0,0,0,0|3,0,0]=4 70 B22R1.208713 CSCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000753918 [0,1,0,0,0,0|3,0,0]=4 71 B22R1.379875 C#CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000690238 [0,1,0,0,0,0|3,0,0]=4 72 B22R1.379875 C#CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000690238 [0,1,0,0,0,0|3,0,0]=4 73 B22R1.379875 C#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100000755551_100009816400 [0,1,0,0,0,0|3,0,0]=4 74 B22R1.379875 C#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000755551_100009816400 [0,1,0,0,0,0|3,0,0]=4 75 B22R1.379875 C#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000755551 [0,1,0,0,0,0|3,0,0]=4 76 B22R1.379875 C#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100000755551_100009816400 [0,1,0,0,0,0|3,0,0]=4 77 B22R1.379875 C#CCOCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011251226 [0,1,0,0,0,0|3,0,0]=4 78 B22R1.379875 C=CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000766728 [0,1,0,0,0,0|3,0,0]=4 79 B22R1.379875 C=CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000766728 [0,1,0,0,0,0|3,0,0]=4 80 B22R1.379875 C=CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100015191253_100009816400 [0,1,0,0,0,0|3,0,0]=4 81 B22R1.379875 C=CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100015191253 [0,1,0,0,0,0|3,0,0]=4 82 B22R1.379875 C=CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100015191253_100009816400 [0,1,0,0,0,0|3,0,0]=4 83 B22R1.379875 C=CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100015191253_100009816400 [0,1,0,0,0,0|3,0,0]=4 84 B22R1.379875 C=CCSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000230395 [0,1,0,0,0,0|3,0,0]=4 85 B22R1.379875 C=CCSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000230395 [0,1,0,0,0,0|3,0,0]=4 86 B22R1.379875 CC#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000685387_100009816400 [0,1,0,0,0,0|3,0,0]=4 87 B22R1.379875 CC#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000685387 [0,1,0,0,0,0|3,0,0]=4 88 B22R1.379875 CC#CCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100000685387_100009816400 [0,1,0,0,0,0|3,0,0]=4 89 B22R1.379875 CC/C=C/CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100016274230 [0,1,0,0,0,0|3,0,0]=4 90 B22R1.379875 CC/C=C/CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100016274230 [0,1,0,0,0,0|3,0,0]=4 91 B22R1.379875 CCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000212188 [0,1,0,0,0,0|3,0,0]=4 92 B22R1.379875 CCCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000212188 [0,1,0,0,0,0|3,0,0]=4 93 B22R1.379875 CCCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100000102301_100009816400 [0,1,0,0,0,0|3,0,0]=4 94 B22R1.379875 CCCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000102301_100009816400 [0,1,0,0,0,0|3,0,0]=4 95 B22R1.379875 CCCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000102301 [0,1,0,0,0,0|3,0,0]=4 96 B22R1.379875 CCCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100000102301_100009816400 [0,1,0,0,0,0|3,0,0]=4 97 B22R1.379875 CCCOCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000745993 [0,1,0,0,0,0|3,0,0]=4 98 B22R1.379875 CCCOCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000745993 [0,1,0,0,0,0|3,0,0]=4 99 B22R1.379875 CCCSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000217233 [0,1,0,0,0,0|3,0,0]=4 100 B22R1.379875 CCCSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000217233 [0,1,0,0,0,0|3,0,0]=4 101 B22R1.379875 CCOCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000749530 [0,1,0,0,0,0|3,0,0]=4 102 B22R1.379875 CCOCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000749530 [0,1,0,0,0,0|3,0,0]=4 103 B22R1.379875 CCSCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000230768 [0,1,0,0,0,0|3,0,0]=4 104 B22R1.379875 CCSCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000230768 [0,1,0,0,0,0|3,0,0]=4 105 B22R1.379875 COCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000741012 [0,1,0,0,0,0|3,0,0]=4 106 B22R1.379875 COCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000741012 [0,1,0,0,0,0|3,0,0]=4 107 B22R1.379875 COCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000209980_100009816400 [0,1,0,0,0,0|3,0,0]=4 108 B22R1.379875 COCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000209980 [0,1,0,0,0,0|3,0,0]=4 109 B22R1.379875 CSCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000173376 [0,1,0,0,0,0|3,0,0]=4 110 B22R1.379875 CSCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000173376 [0,1,0,0,0,0|3,0,0]=4 111 B22R1.379875 CSCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100020590264_100009816400 [0,1,0,0,0,0|3,0,0]=4 112 B22R1.379875 CSCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100020590264 [0,1,0,0,0,0|3,0,0]=4 113 B22R1.379875 CSCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100020590264_100009816400 [0,1,0,0,0,0|3,0,0]=4 114 B22R1.379875 CSCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100020590264_100009816400 [0,1,0,0,0,0|3,0,0]=4 115 B22R1.379875 N#CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000075515 [0,1,0,0,0,0|2,0,1]=4 116 B22R1.379875 N#CCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000075515 [0,1,0,0,0,0|2,0,1]=4 117 B22R1.379875 N#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100000720768_100009816400 [0,1,0,0,0,0|2,0,1]=4 118 B22R1.379875 N#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100000720768_100009816400 [0,1,0,0,0,0|2,0,1]=4 119 B22R1.379875 N#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100000720768 [0,1,0,0,0,0|2,0,1]=4 120 B22R1.379875 N#CCCNC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100000720768_100009816400 [0,1,0,0,0,0|2,0,1]=4 121 B22R1.379875 N#CCSCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000150266 [0,1,0,0,0,0|2,0,1]=4 122 B22R1.379875 O=C(COCCO)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000708028 [0,1,0,0,0,0|3,0,0]=4 123 B22R1.379875 O=C(NCCCF)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 2708a_100015189416_100009816400 [0,1,0,0,0,0|3,0,0]=4 124 B22R1.379875 O=C(NCCCF)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100009816400_100015189416 [0,1,0,0,0,0|3,0,0]=4 125 B22R1.379875 O=C(NCCCF)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 273464a_100015189416_100009816400 [0,1,0,0,0,0|3,0,0]=4 126 B22R1.379875 O=C(NCCCF)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 512a_100015189416_100009816400 [0,1,0,0,0,0|3,0,0]=4 127 B22R1.379875 [N-]=[N+]=NCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000688302 [0,1,0,0,0,0|0,0,0]=1 128 B22R1.1378480 C=CC(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011934298 [0,1,0,0,0,0|3,0,0]=4 129 B22R1.1378480 C=CC(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011934298 [0,1,0,0,0,0|3,0,0]=4 130 B22R1.1378480 CCC(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000708755 [0,1,0,0,0,0|3,0,0]=4 131 B22R1.1378480 CCC(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000708755 [0,1,0,0,0,0|3,0,0]=4 132 B22R1.1378480 CCC(O)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011667805 [0,1,0,0,0,0|3,0,0]=4 133 B22R1.1378480 CCN(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100116209913 [0,1,0,0,0,0|2,0,1]=4 134 B22R1.1378480 CCN(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100116209913 [0,1,0,0,0,0|2,0,1]=4 135 B22R1.1378480 COC(=O)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000211351 [0,1,0,0,0,0|3,0,0]=4 136 B22R1.1912444 C=C(C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_200000688413 [0,1,0,0,0,0|3,0,0]=4 137 B22R1.1912444 C=C(C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_200000688413 [0,1,0,0,0,0|3,0,0]=4 138 B22R1.1912444 CC(=CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C 240690a_100009816400_100011220947 [0,1,0,0,0,0|3,0,0]=4 139 B22R1.1912444 CC(=CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C 527a_100009816400_100011220947 [0,1,0,0,0,0|3,0,0]=4 140 B22R1.1912444 CC(=O)NCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000194580 [0,1,0,0,0,0|2,0,1]=4 141 B22R1.1912444 CC(=O)NCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000194580 [0,1,0,0,0,0|2,0,1]=4 142 B22R1.1912444 CC(=O)OCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000183556 [0,1,0,0,0,0|3,0,0]=4 143 B22R1.1912444 CC(=O)OCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000183556 [0,1,0,0,0,0|3,0,0]=4 144 B22R1.1912444 CC(=O)SCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000049016 [0,1,0,0,0,0|3,0,0]=4 145 B22R1.1912444 CC(C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000181311 [0,1,0,0,0,0|3,0,0]=4 146 B22R1.1912444 CC(C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000181311 [0,1,0,0,0,0|3,0,0]=4 147 B22R1.1912444 CC(C)OCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000745533 [0,1,0,0,0,0|3,0,0]=4 148 B22R1.1912444 CC(C)OCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000745533 [0,1,0,0,0,0|3,0,0]=4 149 B22R1.1912444 CC(C)SCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000241585 [0,1,0,0,0,0|3,0,0]=4 150 B22R1.1912444 CC(C)SCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000241585 [0,1,0,0,0,0|3,0,0]=4 151 B22R1.1912444 CN(C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000689311 [0,1,0,0,0,0|2,0,1]=4 152 B22R1.1912444 CN(C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000689311 [0,1,0,0,0,0|2,0,1]=4 153 B22R1.1912444 C[S+](C)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100009452791 [0,1,0,0,0,0|3,0,0]=4 154 B22R1.1912444 NC(=O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011215257 [0,1,0,0,0,0|2,0,1]=4 155 B22R1.1912444 NC(=O)CCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011215257 [0,1,0,0,0,0|2,0,1]=4 156 B22R1.1912444 NC(=O)SCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_200015941356 [0,1,0,0,0,0|2,0,1]=4 157 B22R1.1912444 O=C(CC[N+](=O)[O-])N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_200000064761 [0,1,0,0,0,0|2,0,1]=4 158 B22R1.1912444 O=C(COC(F)F)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_200000719455 [0,1,0,0,0,0|3,0,0]=4 159 B22R1.1912444 O=C(COC(F)F)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_200000719455 [0,1,0,0,0,0|3,0,0]=4 160 B22R1.1912444 O=C(CSC(F)F)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_114828291038 [0,1,0,0,0,0|3,0,0]=4 161 B22R1.1912444 O=C(CSC(F)F)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_114828291038 [0,1,0,0,0,0|3,0,0]=4 162 B22R2.6556547 CC1CC1C(=O)N[C@H](CO)[C@H](O)c2ccc(cc2)[N+](=O)[O-] 527a_100009816400_100000211227 [0,0,0,1,0,0|3,0,0]=4 163 B22R2.6556547 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])[C@@H]2C[C@@H]2F 240690a_100009816400_100015396687 [0,0,0,1,0,0|3,0,0]=4 164 B22R2.6556547 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])[C@@H]2C[C@@H]2F 527a_100009816400_100015396687 [0,0,0,1,0,0|3,0,0]=4 165 B22R2.6575715 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CCC2 240690a_100009816400_100000209988 [0,0,0,1,0,0|3,0,0]=4 166 B22R2.6575715 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CCC2 527a_100009816400_100000209988 [0,0,0,1,0,0|3,0,0]=4 167 B22R2.6575715 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CCO2 240690a_100009816400_100000089072 [0,0,0,1,0,0|3,0,0]=4 168 B22R2.6575715 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CCO2 527a_100009816400_100000089072 [0,0,0,1,0,0|3,0,0]=4 169 B22R2.6575715 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2COC2 240690a_100009816400_100000758290 [0,0,0,1,0,0|3,0,0]=4 170 B22R2.6575715 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2COC2 527a_100009816400_100000758290 [0,0,0,1,0,0|3,0,0]=4 171 B22R2.6581311 O=C(CC1CC1)N[C@H](CO)[C@H](O)c2ccc(cc2)[N+](=O)[O-] 240690a_100009816400_100000738066 [0,0,0,1,0,0|3,0,0]=4 172 B22R2.6581311 O=C(CC1CC1)N[C@H](CO)[C@H](O)c2ccc(cc2)[N+](=O)[O-] 527a_100009816400_100000738066 [0,0,0,1,0,0|3,0,0]=4 173 B21R1.36012 CC(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000210554 [1,1,0,0,0,0|2,0,0]=4 174 B21R1.36012 CC(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000210554 [1,1,0,0,0,0|2,0,0]=4 175 B21R1.36012 CN(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000750896 [1,1,0,0,0,0|1,0,1]=4 176 B21R1.36012 CN(C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000750896 [1,1,0,0,0,0|1,0,1]=4 177 B21R1.36012 C[C@@H](O)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011933948 [1,1,0,0,0,0|2,0,0]=4 178 B21R1.36012 C[S+](C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_200159257847 [1,1,0,0,0,0|2,0,0]=4 179 B21R1.36012 C[S+](C)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_200159257847 [1,1,0,0,0,0|2,0,0]=4 180 B21R1.36012 NC(=O)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100134613110 [1,1,0,0,0,0|1,0,1]=4 181 B21R1.36012 NC(=O)CC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100134613110 [1,1,0,0,0,0|1,0,1]=4 182 B21R1.283596 C=CC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011216780 [1,1,0,0,0,0|2,0,0]=4 183 B21R1.283596 C=CC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011216780 [1,1,0,0,0,0|2,0,0]=4 184 B21R1.283596 CC(C#N)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000753662 [1,1,0,0,0,0|1,0,1]=4 185 B21R1.283596 CC(C#N)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000753662 [1,1,0,0,0,0|1,0,1]=4 186 B21R1.283596 CCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011192722 [1,1,0,0,0,0|2,0,0]=4 187 B21R1.283596 CCC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100011192722 [1,1,0,0,0,0|2,0,0]=4 188 B21R1.283596 CCC(O)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100011196387 [1,1,0,0,0,0|2,0,0]=4 189 B21R1.283596 COC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000743197 [1,1,0,0,0,0|2,0,0]=4 190 B21R1.283596 COC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000743197 [1,1,0,0,0,0|2,0,0]=4 191 B21R1.283596 CSC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100000149566 [1,1,0,0,0,0|2,0,0]=4 192 B21R1.283596 CSC(C)C(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100000149566 [1,1,0,0,0,0|2,0,0]=4 193 B21R1.305799 CSc1ccc(cc1)[C@H](O)[C@H](CO)NC(=O)CCN=[N+]=[N-] 240690a_200000009158_100000688302 [1,1,0,0,0,0|2,0,0]=4 194 B23R1.287375 [N-]=[N+]=NCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 240690a_100009816400_100010262590 [0,2,0,0,0,0|0,0,0]=2 195 B23R1.287375 [N-]=[N+]=NCCCC(=O)N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-] 527a_100009816400_100010262590 [0,2,0,0,0,0|0,0,0]=2 196 B21R2.4844167 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CC2 240690a_100009816400_100000210395 [1,0,0,1,0,0|2,0,0]=4 197 B21R2.4844167 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CC2 527a_100009816400_100000210395 [1,0,0,1,0,0|2,0,0]=4 198 B21R2.4844167 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CO2 240690a_100009816400_100000701028 [1,0,0,1,0,0|2,0,0]=4 199 B21R2.4844167 O=C(N[C@H](CO)[C@H](O)c1ccc(cc1)[N+](=O)[O-])C2CO2 527a_100009816400_100000701028 [1,0,0,1,0,0|2,0,0]=4 200 B21R1.80691 C[C@H](NC(=O)CN=[N+]=[N-])C(=O)Nc1ccc(cc1)[N+](=O)[O-] 11a_200016990916_100000751907 [1,0,0,0,0,1|0,0,2]=4 201 B21R1.80691 C[C@H](NC(=O)CN=[N+]=[N-])C(=O)Nc1ccc(cc1)[N+](=O)[O-] 240690a_200016990916_100000751907 [1,0,0,0,0,1|0,0,2]=4 202 B21R1.80407 CCN(CC(O)c1ccc(cc1)[N+](=O)[O-])C(=O)CN=[N+]=[N-] 240690a_200000181784_100000751907 [0,0,0,0,1,1|2,0,0]=4