0 B8R0.8 C#CCC[C@@H](N)C(=O)O 0448AP [0,0,0,0,0,0|1,0,1]=2 1 B8R0.8 CC(=O)C(C)CCC#N 7950AC [0,0,0,0,0,0|4,0,0]=4 2 B8R0.8 CCCCC(C)C(C)O 7994AF [0,0,0,0,0,0|3,0,1]=4 3 B8R0.8 NC(CCCO)C(=O)O 7586AB [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 NCCCC(N)C(=O)O 7335AF [0,0,0,0,0,0|2,0,0]=2 5 B8R0.8 NCCCC(N)C(=O)O U283 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.8 NCCC[C@@H](N)C(=O)O 7336AF [0,0,0,0,0,0|2,0,0]=2 7 B8R0.8 NCCC[C@H](N)C(=O)O O422 [0,0,0,0,0,0|2,0,0]=2 8 B8R0.8 NOCCC(N)C(=O)O 0044AC [0,0,0,0,0,0|1,1,0]=2 9 B8R0.8 O=C(O)C(Br)CCCBr 7168AA [0,0,0,0,0,0|3,0,0]=3 10 B7R0.3 CCCCC(N)CC 7820AF [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 NOCCCC(=O)O V9806 [1,0,0,0,0,0|1,1,0]=3 12 B7R0.5 CC(=O)C(Cl)CCO X4477 [1,0,0,0,0,0|2,1,0]=4 13 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [1,0,0,0,0,0|1,0,2]=4 14 B7R0.5 CCCC(O)C(C)=O X3438 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.5 CNC[C@H](N)C(=O)O Q369 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [1,0,0,0,0,0|0,1,0]=2 17 B7R0.5 NC(CCBr)C(=O)O 0872AA [1,0,0,0,0,0|1,0,0]=2 18 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [1,0,0,0,0,0|0,1,0]=2 19 B7R0.5 O=C(Br)C(Br)CCBr 7393AB [1,0,0,0,0,0|3,0,0]=4 20 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Z5927 [0,1,0,0,0,0|1,0,0]=2 21 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Z5577 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.7 CC(CCC(=O)O)C(=O)O 0280AP [0,1,0,0,0,0|3,0,0]=4 23 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O 1751AF [0,1,0,0,0,0|3,0,0]=4 24 B9R0.7 C[S+](C)CCC(N)C(=O)O 8997AD [0,1,0,0,0,0|0,0,1]=2 25 B9R0.7 NC(=O)C(N)CCC(=O)O Y1588 [0,1,0,0,0,0|3,0,0]=4 26 B9R0.13 CCCCC(CC)C(=O)[O-] O131 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.13 CNC(CCCN)C(=O)O 0555AP [0,1,0,0,0,0|2,0,0]=3 28 B9R0.13 CN[C@@H](CCCN)C(=O)O Z5680 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.47 C#CCSC[C@@H](N)C(=O)O 5092AC [0,1,0,0,0,0|1,0,1]=3 30 B9R0.47 C=CCCCC(N)C(=O)O 0772AA [0,1,0,0,0,0|1,0,1]=3 31 B9R0.47 NC(CCCC=O)C(=O)O Y1617 [0,1,0,0,0,0|1,0,1]=3 32 B9R1.5 O=C1CCCCCC1Br 9448AE [0,0,0,1,0,0|3,0,0]=4 33 B9R1.6 O=C(O)C1CCCCN1 3297AL [0,0,0,1,0,0|1,0,0]=2 34 B9R1.6 O=C(O)C1CCCCN1 6644AH [0,0,0,1,0,0|1,0,0]=2 35 B9R1.6 O=C(O)C1CNCCN1 V5196 [0,0,0,1,0,0|2,0,0]=3 36 B9R1.6 O=C(O)[C@H]1COCCN1 Z8033 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.35 CN1CCC(C(=O)O)C1 W6581 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.35 O=C(O)[C@@H]1CSC(=S)N1 4596AF [0,0,0,1,0,0|3,0,0]=4 39 B9R1.69 NC1CCC(=O)NC1=O 9455AJ [0,0,0,1,0,0|3,0,0]=4 40 B9R1.69 N[C@@H]1CCC(=O)NC1=O 8996AH [0,0,0,1,0,0|3,0,0]=4 41 B9R1.163 NC1(C(=O)O)CCCC1 Z5998 [0,0,0,1,0,0|1,0,0]=2 42 B6R0.1 CCCC(N)CC 7574AF [2,0,0,0,0,0|1,0,1]=4 43 B6R0.1 CCC[C@@H](C)CO N835 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 CNCC[C@H](C)N 9254AH [2,0,0,0,0,0|1,0,1]=4 45 B6R0.3 C=CC(N)C(=O)O 7462AB [2,0,0,0,0,0|0,0,2]=4 46 B6R0.3 C=C[C@H](N)C(=O)O 1008AC [2,0,0,0,0,0|0,0,2]=4 47 B6R0.3 CC[C@H](C)C(=O)O Z9667 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.3 O=C(O)C(Br)CF 5339AD [2,0,0,0,0,0|2,0,0]=4 49 B8R0.7 NCCCCCC(=O)Cl Y1672 [1,1,0,0,0,0|2,0,0]=4 50 B8R0.28 CC(C)COCC(=O)O 8143AD [1,1,0,0,0,0|2,0,0]=4 51 B8R0.28 CN(C)CCCC(=O)O Y1714 [1,1,0,0,0,0|1,0,0]=3 52 B8R0.2 CCC(C)[C@H](Cl)C(=O)O Z6070 [1,1,0,0,0,0|1,0,0]=3 53 B8R0.2 N[C@H](C(=O)O)[C@H](O)CF 7595AC [1,1,0,0,0,0|1,0,0]=3 54 B8R0.12 C#CC[C@@](C)(N)C(=O)O 0593AP [1,1,0,0,0,0|0,0,2]=4 55 B8R0.12 CCCC(C)(C)C(=O)Cl U535 [1,1,0,0,0,0|2,0,0]=4 56 B8R0.12 NCCC(F)(F)C(=O)O 3596AD [1,1,0,0,0,0|2,0,0]=4 57 B8R0.15 CCCC(NC)C(=O)O 0624AP [1,1,0,0,0,0|0,0,0]=2 58 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O 9290AB [0,1,0,0,0,1|2,0,0]=4 59 B10R0.43 CC(N)(CCC(=O)O)C(=O)O 6626AH [0,2,0,0,0,0|2,0,0]=4 60 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O Q386 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.92 CC(C)(C)SC[C@H](N)C(=O)O Q387 [0,2,0,0,0,0|2,0,0]=4 62 B10R0.93 NC(CC(N)C(=O)O)C(=O)O 6930AA [0,2,0,0,0,0|2,0,0]=4 63 B10R0.93 N[C@@H](C[C@@H](F)C(=O)O)C(=O)O 2979AF [0,2,0,0,0,0|2,0,0]=4 64 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O 0529AP [0,2,0,0,0,0|0,0,1]=3 65 B10R0.133 CCCCC(N)(CC)C(=O)O 1471AJ [0,2,0,0,0,0|1,0,0]=3 66 B10R0.72 CCN(CC)C[C@H](N)C(=O)O Q371 [0,2,0,0,0,0|2,0,0]=4 67 B10R0.98 N=C(N)NCCC(N)C(=O)O X3143 [0,2,0,0,0,0|1,0,1]=4 68 B8R1.2 O=CC1CCCCN1 Z3377 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.5 CC1CCNCC1=O 2896AJ [1,0,0,1,0,0|2,0,0]=4 70 B8R1.34 O=C(O)CC1CNC1 9588AA [1,0,0,1,0,0|1,0,0]=3 71 B10R1.18 O=C(O)NC1CCCCC1 R320 [0,0,0,1,0,1|2,0,0]=4 72 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 8474AJ [0,0,0,1,0,1|2,0,0]=4 73 B10R1.23 NC(C(=O)O)C1CCNC1 3896AA [0,1,0,1,0,0|1,0,0]=3 74 B10R1.13 O=C(O)C1CCC(F)CC1 5665AD [0,1,0,1,0,0|2,0,0]=4 75 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8585AH [0,1,0,1,0,0|1,0,0]=3 76 B10R1.15 COC(=O)[C@@H]1COCCN1 W8193 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.31 N#C[C@@H]1CN[C@H](C(=O)O)C1 0104AA [0,1,0,1,0,0|2,0,0]=4 78 B10R1.31 N#C[C@H]1CN[C@H](C(=O)O)C1 2573AB [0,1,0,1,0,0|2,0,0]=4 79 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 9958AB [0,1,0,1,0,0|1,0,1]=4 80 B10R1.363 NC1(C(=O)O)CCCSC1 5096AB [0,1,0,1,0,0|0,0,0]=2 81 B10R1.363 NC1(C(=O)O)CCSCC1 2343AE [0,1,0,1,0,0|0,0,0]=2 82 B10R2.344 O=C(O)C12CC1CCN2 5311AA [0,0,0,2,0,0|1,0,0]=3 83 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z3470 [0,0,0,2,0,0|2,0,0]=4