0 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,0,0,0,0,0|2,0,1]=3 7 B9R0.47 NCCCCC(N)C(N)=O MC437847 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.47 NCCCCC(N)C(N)=O MC437848 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.47 NCCSCC(N)C(=O)O MC436895 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.47 NC\C=C\CC(N)C(=O)O MC436933 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.47 [N-]=[N+]=NCCC(N)C(=O)O MC436281 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.6 C=CCOCC(O)CO MC436170 [1,0,0,0,0,0|1,1,1]=4 13 B8R0.7 CSCCCCC(=O)O MC112374 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.7 NCCCCCC(=O)O CS13381 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.7 O=C(O)CCCCCBr CS18405 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.8 CCCCC(N)C(=O)O MC428079 [1,0,0,0,0,0|0,0,2]=3 17 B8R0.8 CCCCC(N)C(=O)O MC428113 [1,0,0,0,0,0|0,0,2]=3 18 B8R0.8 CCCCC(N)C(=O)O MC428121 [1,0,0,0,0,0|0,0,2]=3 19 B8R0.8 CCCCC(N)C(N)=O MC438017 [1,0,0,0,0,0|1,0,2]=4 20 B8R0.8 CSCCC(N)C(=O)O CS18644 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.8 CSCCC(N)C(=O)O MC428038 [1,0,0,0,0,0|1,0,1]=3 22 B8R0.8 CSCCC(N)C(=O)O MC428332 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.8 CSCCC(N)C(N)=O MC437951 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.8 CSCCC(N)C(N)=O MC439009 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.8 NCCCC(N)C(=O)O CS22279 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.8 NCCCC(N)C(=O)O MC438045 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.8 NCCCC(N)C(=O)O MC439200 [1,0,0,0,0,0|1,0,1]=3 30 B8R0.8 NOCCC(N)C(=O)O MC100566 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.8 NOCCC(N)C(=O)O MC114097 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.75 CNCCCCC(N)C(=O)O MC437873 [0,1,0,0,0,0|1,0,2]=4 33 B10R0.82 NCC(O)CCC(N)C(=O)O MC437772 [0,1,0,0,0,0|2,0,1]=4 34 B10R0.83 COC(=O)C(N)CCCCN MC437851 [0,1,0,0,0,0|2,0,1]=4 35 B10R0.86 CNC(CCCCN)C(=O)O MC435480 [0,1,0,0,0,0|2,0,1]=4 36 B10R0.86 CNC(CCCCN)C(=O)O MC437922 [0,1,0,0,0,0|2,0,1]=4 37 B10R0.98 N=C(N)NCCC(N)C(=O)O MC114322 [0,1,0,0,0,0|3,0,0]=4 38 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436001 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436002 [0,1,0,0,0,0|2,0,0]=3 40 B10R0.98 NC(CCCC(=O)O)C(=O)O MC436003 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,0,0,1,0,0|0,0,2]=3 42 B7R0.4 C#CCCCC(=O)O CS14686 [2,0,0,0,0,0|0,0,2]=4 43 B7R0.4 C=CCNCC(=O)O MC439317 [2,0,0,0,0,0|1,0,0]=3 44 B7R0.4 NCCCCC(=O)O MC428108 [2,0,0,0,0,0|1,0,1]=4 45 B7R0.4 O=C(O)CCCCBr MC41866 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.5 C#CCC(N)C(=O)O CS13900 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.5 C#CCC(N)C(=O)O MC21037 [2,0,0,0,0,0|0,0,2]=4 48 B7R0.5 C#CCC(N)C(=O)O MC438112 [2,0,0,0,0,0|0,0,2]=4 49 B7R0.5 C=CCC(N)C(=O)O MC439179 [2,0,0,0,0,0|0,0,0]=2 50 B7R0.5 CCCC(N)C(=O)O CS10518 [2,0,0,0,0,0|0,0,1]=3 51 B7R0.5 CCCC(N)C(=O)O CS17028 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.5 CCCC(N)C(=O)O MC439125 [2,0,0,0,0,0|0,0,1]=3 53 B7R0.5 CCCC(N)C(N)=O MC438024 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.5 COCC(N)C(=O)O CS12183 [2,0,0,0,0,0|0,1,0]=3 55 B7R0.5 COCC(N)C(=O)O CS16755 [2,0,0,0,0,0|0,1,0]=3 56 B7R0.5 COCC(N)C(=O)O CS20335 [2,0,0,0,0,0|0,1,0]=3 57 B7R0.5 CSCC(N)C(=O)O MC439293 [2,0,0,0,0,0|0,0,0]=2 58 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [2,0,0,0,0,0|0,1,0]=3 59 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [2,0,0,0,0,0|0,1,0]=3 60 B7R0.5 N#CCC(N)C(=O)O MC436869 [2,0,0,0,0,0|1,0,1]=4 61 B7R0.5 NC(CCO)C(=O)O CS13886 [2,0,0,0,0,0|1,0,0]=3 62 B7R0.5 NC(CCO)C(=O)O CS16701 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.5 NC(CCO)C(=O)O CS22620 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.5 NCCC(N)C(=O)O CS13874 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.5 NCCC(N)C(=O)O CS15080 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.5 NCCC(N)C(=O)O MC436921 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.5 NCCC(N)C(=O)O MC439091 [2,0,0,0,0,0|1,0,0]=3 68 B7R0.5 NCCC(N)C(=O)O MC439321 [2,0,0,0,0,0|1,0,0]=3 69 B7R0.5 NCCC(O)C(=O)O CS15496 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.5 NCCC(O)C(=O)O CS21759 [2,0,0,0,0,0|2,0,0]=4 71 B9R0.2 CCCSCCCC(=O)O MC112372 [1,1,0,0,0,0|0,0,2]=4 72 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [1,1,0,0,0,0|0,0,0]=2 73 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [1,1,0,0,0,0|0,0,0]=2 74 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [1,1,0,0,0,0|0,1,1]=4 75 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [1,1,0,0,0,0|0,1,1]=4 76 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [1,1,0,0,0,0|0,0,2]=4 77 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.7 NC(=O)C(N)CCC(=O)O MC437667 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.7 NC(=O)C(N)CCC(=O)O MC437668 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [1,1,0,0,0,0|1,0,0]=3 82 B9R0.7 NC(=O)CCC(N)C(N)=O MC437652 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.7 NC(=O)CCC(N)C(N)=O MC437653 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.7 NC(=O)NCC(N)C(=O)O MC436167 [1,1,0,0,0,0|2,0,0]=4 85 B9R0.7 NC(=O)SCC(N)C(=O)O MC436904 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [1,1,0,0,0,0|1,0,0]=3 87 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [1,1,0,0,0,0|1,0,0]=3 88 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [1,1,0,0,0,0|1,0,0]=3 90 B9R0.13 CCCCC(NC)C(=O)O MC435132 [1,1,0,0,0,0|0,0,2]=4 91 B9R0.13 CCCCC(NC)C(=O)O MC435489 [1,1,0,0,0,0|0,0,2]=4 92 B9R0.13 CNC(CCCN)C(=O)O MC435491 [1,1,0,0,0,0|1,0,1]=4 93 B9R0.13 CNC(CCCN)C(=O)O MC435492 [1,1,0,0,0,0|1,0,1]=4 94 B9R0.13 CNC(CCSC)C(=O)O MC435530 [1,1,0,0,0,0|1,0,1]=4 95 B9R0.51 COCCC(C)(N)C(=O)O MC106310 [1,1,0,0,0,0|1,0,1]=4 96 B11R0.29 CC(=O)NCSCC(N)C(=O)O MC436891 [0,2,0,0,0,0|0,0,1]=3 97 B11R0.29 CC(=O)NCSCC(N)C(=O)O MC436892 [0,2,0,0,0,0|0,0,1]=3 98 B11R0.29 CC(=O)NCSCC(N)C(N)=O MC439467 [0,2,0,0,0,0|1,0,1]=4 99 B11R0.29 N=C(N)NCCCC(N)C(=O)O CS18609 [0,2,0,0,0,0|2,0,0]=4 100 B11R0.29 N=C(N)NCCCC(N)C(=O)O CS18761 [0,2,0,0,0,0|2,0,0]=4 101 B11R0.29 N=C(N)NCCCC(N)C(=O)O CS19303 [0,2,0,0,0,0|2,0,0]=4 102 B11R0.29 N=C(N)NCCCC(N)C(=O)O MC439197 [0,2,0,0,0,0|2,0,0]=4 103 B11R0.29 NC(=O)NCCCC(N)C(=O)O CS11543 [0,2,0,0,0,0|2,0,0]=4 104 B11R0.29 NC(=O)NCCCC(N)C(=O)O MC436863 [0,2,0,0,0,0|2,0,0]=4 105 B11R0.29 NC(=O)NCCCC(N)C(=O)O MC436864 [0,2,0,0,0,0|2,0,0]=4 106 B11R0.29 NC(CCCCC(=O)O)C(=O)O MC436182 [0,2,0,0,0,0|1,0,1]=4 107 B11R0.29 NC(CSCCB(O)O)C(=O)O MC445262 [0,2,0,0,0,0|1,0,1]=4 108 B11R0.109 COC(=O)CCCC(N)C(=O)O MC436005 [0,2,0,0,0,0|1,0,1]=4 109 B11R0.150 NC(CCC(N)C(=O)O)C(=O)O MC114023 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.5 NC1CSCCNC1=O MC100169 [1,0,0,1,0,0|1,0,1]=4 111 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [1,0,0,1,0,0|2,0,0]=4 112 B9R1.6 O=C(O)C1CCCSC1 MC113062 [1,0,0,1,0,0|0,0,2]=4 113 B9R1.6 O=C(O)C1CSCCN1 CS19640 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [1,0,0,1,0,0|0,0,2]=4 115 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [1,0,0,1,0,0|2,0,0]=4 116 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [1,0,0,1,0,0|2,0,0]=4 117 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [1,0,0,1,0,0|2,0,0]=4 118 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [1,0,0,1,0,0|1,0,0]=3 119 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [1,0,0,1,0,0|1,0,0]=3 120 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [1,0,0,1,0,0|2,0,0]=4 121 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [1,0,0,1,0,0|1,0,0]=3 122 B9R1.69 NC1CCC(=O)NC1=O CS13348 [1,0,0,1,0,0|2,0,0]=4 123 B9R1.69 NC1CCC(=O)NC1=O MC105196 [1,0,0,1,0,0|2,0,0]=4 124 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [1,0,0,1,0,0|0,0,2]=4 125 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [1,0,0,1,0,0|0,0,2]=4 126 B9R1.110 NC(C(=O)O)C1COC1 MC101964 [1,0,0,1,0,0|1,0,1]=4 127 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [1,0,0,1,0,0|0,0,2]=4 128 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [1,0,0,1,0,0|0,0,2]=4 129 B9R1.163 NC1(C(=O)O)CCOC1 MC20730 [1,0,0,1,0,0|0,1,1]=4 130 B11R1.35 NC(CC1=CC=CO1)C(=O)O CS13507 [0,1,0,1,0,0|0,1,1]=4 131 B11R1.35 NC(CC1=CC=CS1)C(=O)O CS20416 [0,1,0,1,0,0|0,0,1]=3 132 B11R1.35 NC(CC1=CNC=N1)C(=O)O CS19282 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.35 NC(CC1=CNC=N1)C(=O)O MC428109 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.35 NC(Cc1cccs1)C(=O)O MC438193 [0,1,0,1,0,0|0,0,1]=3 135 B11R1.35 NC(Cc1cccs1)C(=O)O MC438194 [0,1,0,1,0,0|0,0,1]=3 136 B11R1.35 NC(Cc1nccs1)C(=O)O MC438192 [0,1,0,1,0,0|1,0,1]=4 137 B11R1.35 NC(Cn1cncn1)C(=O)O MC438238 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.23 COC(=O)C1CNCC(=O)N1 CS17830 [0,1,0,1,0,0|2,0,0]=4 139 B11R2.845 O=C(O)C1CC2C=CC1C2 CS13550 [0,0,0,2,0,0|2,0,0]=4 140 B11R2.845 O=C(O)C1NC2C=CC1C2 MC105151 [0,0,0,2,0,0|1,0,0]=3 141 B11R2.845 O=C(O)C1NC2C=CC1C2 MC105635 [0,0,0,2,0,0|1,0,0]=3 142 B11R2.201 O=C1OC(=O)C2CCC1N2 MC110579 [0,0,0,2,0,0|2,0,0]=4