0 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.4 O=C(O)COCCOCCO C70220 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.4 [N-]=[N+]=NCCOCCC(=O)O C70444 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.2 NC(=O)CCCCCCO AC4329 [1,0,0,0,0,0|2,0,0]=3 4 B11R0.148 CCCCCCCCC[N+](=O)[O-] AT10296 [0,1,0,0,0,0|1,0,1]=3 5 B11R0.148 CCCCCCC\C=C/C(=O)O D86947 [0,1,0,0,0,0|0,0,1]=2 6 B11R0.148 O=C(O)CCOCCOCCS C70431 [0,1,0,0,0,0|2,0,0]=3 7 B11R0.148 O=CCCCCCCCC(=O)O C74321 [0,1,0,0,0,0|0,0,1]=2 8 B11R0.176 O=C(O)CCCC[C@H](S)CCS 68441 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.24 CCCCC1=CC(=O)CCC1 D94147 [0,0,0,1,0,0|1,0,1]=3 10 B11R1.90 CN1CCC[C@H]1\C=C\C(=O)O D76990 [0,0,0,1,0,0|1,0,2]=4 11 B11R1.91 O=C(O)C#CC1CCCCC1 O10996 [0,0,0,1,0,0|0,0,2]=3 12 B11R1.91 O=C(O)CC[C@H]1CNCCO1 P19696 [0,0,0,1,0,0|2,0,0]=3 13 B11R1.91 O=C(O)CC[C@H]1CNCCO1 P19716 [0,0,0,1,0,0|2,0,0]=3 14 B11R1.271 CC(=O)OC[C@H]1CC[C@H]1CO AC9458 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.706 O=C(O)[C@@H]1CCC=CCCC1 D77101 [0,0,0,1,0,0|0,0,2]=3 16 B8R0.4 NCCCCCCCO D74762 [2,0,0,0,0,0|1,0,0]=3 17 B8R0.7 NCCOCCC(=O)O C72750 [2,0,0,0,0,0|2,0,0]=4 18 B10R0.74 COC(=O)CCCCCCO W16829 [1,1,0,0,0,0|1,0,0]=3 19 B12R0.57 CCCCCCCC[C@H](CC)CO D92959 [0,2,0,0,0,0|1,0,1]=4 20 B12R0.268 CC(=O)CCCCCCCC(=O)O A10849 [0,2,0,0,0,0|0,0,0]=2 21 B10R1.18 O=C(O)C[C@H]1CNCCO1 C72399 [1,0,0,1,0,0|2,0,0]=4 22 B10R1.61 CC(=O)C1CCCCC1F P18235 [1,0,0,1,0,0|2,0,0]=4 23 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [1,0,0,1,0,0|1,0,0]=3 25 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [1,0,0,1,0,0|1,0,0]=3 26 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [1,0,0,1,0,0|1,0,0]=3 27 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [1,0,0,1,0,0|1,0,0]=3 28 B12R1.43 N[C@@H](CC1CCOCC1)C(=O)O P15806 [0,1,0,1,0,0|1,0,0]=3 29 B12R1.43 N[C@@H](CN1CCNCC1)C(=O)O 11049 [0,1,0,1,0,0|2,0,0]=4 30 B12R1.368 COC(=O)[C@H]1CCC[C@@H]1C(=O)O F50022 [0,1,0,1,0,0|1,0,1]=4 31 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O 96737 [0,1,0,1,0,0|1,0,1]=4 32 B12R2.1081 O=C1CCC[C@H]2CNCCN12 98001 [0,0,0,2,0,0|2,0,0]=4 33 B12R2.1081 O=C1NCCC2CNCCC12 56613 [0,0,0,2,0,0|2,0,0]=4 34 B12R2.2918 O=C1CC[C@@]2(CCCNC2)O1 22963 [0,0,0,2,0,0|1,0,0]=3 35 B12R2.1365 O=C(O)C1C2CCC1CNC2 P12621 [0,0,0,2,0,0|1,0,0]=3 36 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 C11471 [0,0,0,2,0,0|1,0,0]=3 37 B12R2.1392 O=C(O)[C@@H]1CC2CCN1CC2 C12118 [0,0,0,2,0,0|1,0,0]=3 38 B12R2.1392 O=C(O)[C@@H]1CN2CCN1CC2 D97063 [0,0,0,2,0,0|2,0,0]=4 39 B12R2.1392 O=C(O)[C@H]1NC2CCC1CC2 P19041 [0,0,0,2,0,0|1,0,0]=3 40 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 P19519 [0,0,0,2,0,0|1,0,0]=3 41 B12R2.250 O=C(O)[C@H]1CC12CCOCC2 P19520 [0,0,0,2,0,0|1,0,0]=3 42 B12R2.229 O=C1CCNC[C@@H]2CCCN12 P10821 [0,0,0,2,0,0|2,0,0]=4 43 B12R2.3066 O=C(O)C12CCCN1CCC2 38370 [0,0,0,2,0,0|1,0,0]=3