0 B12R0.268 CC(=O)NCCCCCNC(=O)C Z1509147903 [0,0,0,0,0,0|4,0,0]=4 1 B12R0.268 NC(=O)CCCCCCCC(=O)N Z1137326066 [0,0,0,0,0,0|2,0,0]=2 2 B12R0.268 O=C(O)CCCCCCCC(=O)O Z57127532 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [1,0,0,0,0,0|1,0,1]=3 4 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [1,0,0,0,0,0|3,0,0]=4 6 B13R0.442 CS(=O)(=O)CCCCCCCC(=O)O Z4400674190 [0,1,0,0,0,0|1,0,1]=3 7 B13R0.1398 NC(CCCC(=O)O)CCCC(=O)O Z3246317628 [0,1,0,0,0,0|0,0,0]=1 8 B13R0.1398 O=C(O)CCCC(=O)CCCC(=O)O Z1269148152 [0,1,0,0,0,0|0,0,1]=2 9 B13R1.149 O=C(O)CCCC1CCCC(=O)N1 Z1262517530 [0,0,0,1,0,0|1,0,0]=2 10 B13R1.589 CC(=O)N1CCCCC1CC(=O)O Z728863712 [0,0,0,1,0,0|2,0,0]=3 11 B13R1.3576 NC(=O)CCN1CCCC1C(=O)N Z56973524 [0,0,0,1,0,0|3,0,0]=4 12 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [0,0,0,0,1,0|2,0,0]=3 13 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [0,0,0,0,1,0|1,0,0]=2 14 B11R0.30 CC(=O)NCCCCCC(=O)N Z68591091 [0,0,0,0,1,0|3,0,0]=4 15 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [0,0,0,0,1,0|2,0,0]=3 16 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [0,0,0,0,1,0|2,0,0]=3 17 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [0,0,0,0,1,0|0,0,0]=1 18 B11R0.30 O=C(O)COCCOCC(=O)O Z104477844 [0,0,0,0,1,0|2,0,0]=3 19 B13R0.179 O=C(O)CCCCCCCCC(=O)O Z104475420 [0,0,0,0,0,1|0,0,0]=1 20 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [2,0,0,0,0,0|0,0,2]=4 21 B10R0.4 CCCCCCCCC(=O)N Z296759818 [2,0,0,0,0,0|1,0,1]=4 22 B10R0.4 CCCCCCCCC(=O)O Z104473336 [2,0,0,0,0,0|0,0,1]=3 23 B10R0.4 CCCCCCOCC(=O)O Z362795556 [2,0,0,0,0,0|1,0,1]=4 24 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [2,0,0,0,0,0|1,0,1]=4 25 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [2,0,0,0,0,0|1,0,1]=4 26 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [2,0,0,0,0,0|1,0,0]=3 27 B10R0.71 CCCCCCCCCC=O Z104477054 [2,0,0,0,0,0|1,0,1]=4 28 B12R0.4 CCCCCCCC(N)CC(=O)O Z2732205949 [1,1,0,0,0,0|1,0,1]=4 29 B12R0.234 C=CCCCCCCCCC(=O)O Z104479700 [1,1,0,0,0,0|1,0,0]=3 30 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [1,1,0,0,0,0|1,0,1]=4 31 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [1,1,0,0,0,0|1,0,1]=4 32 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [1,1,0,0,0,0|0,0,1]=3 33 B12R0.42 NC(=O)NCCCC[C@H](N)C(=O)O Z3466304206 [0,1,0,0,1,0|2,0,0]=4 34 B12R0.44 O=C(O)CCNC(=O)CCC(=O)O Z608592822 [0,1,0,0,1,0|1,0,1]=4 35 B12R0.137 NS(=O)(=O)CCCCCCC(=O)O Z1509019823 [0,1,0,0,1,0|1,0,1]=4 36 B12R1.75 C=C[C@H]1CNCC[C@H]1CC(=O)O Z4574897603 [1,0,0,1,0,0|2,0,0]=4 37 B12R1.125 CN1CCCCC1CCC(=O)O Z1839480698 [1,0,0,1,0,0|2,0,0]=4 38 B12R1.125 NC1CCCCC1CCC(=O)O Z2230911221 [1,0,0,1,0,0|1,0,1]=4 39 B12R1.125 O=C([O-])CCC1COCCC1=O Z4402906946 [1,0,0,1,0,0|1,0,1]=4 40 B12R1.130 O=C(O)CCCN1CCOC1=O Z323040342 [1,0,0,1,0,0|2,0,0]=4 41 B12R1.210 O=C(O)CC1CCCCNC1=O Z1262530899 [1,0,0,1,0,0|1,0,0]=3 42 B12R1.212 NC1CCCCCCC1C(=O)O Z1404660384 [1,0,0,1,0,0|1,0,1]=4 43 B12R1.252 O=C(O)CCCC1CCCCC1 Z104482928 [1,0,0,1,0,0|1,0,1]=4 44 B12R1.252 O=C(O)CCCC1CCCCN1 Z2106608775 [1,0,0,1,0,0|1,0,1]=4 45 B12R1.252 O=C(O)CCCC1CCCNC1 Z2831439612 [1,0,0,1,0,0|2,0,0]=4 46 B12R1.252 O=C(O)CSCC1CCCCO1 Z214812604 [1,0,0,1,0,0|1,0,1]=4 47 B12R1.255 O=C(O)CCCCC1CCSS1 Z56969297 [1,0,0,1,0,0|1,1,0]=4 48 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Z1269228108 [1,0,0,1,0,0|1,1,0]=4 49 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Z1269169215 [1,0,0,1,0,0|1,1,0]=4 50 B12R1.255 O=C(O)CCOCC1CCCO1 Z316259312 [1,0,0,1,0,0|1,0,1]=4 51 B12R1.1343 O=C(O)CCC1CCCCNC1 Z5060031354 [1,0,0,1,0,0|2,0,0]=4 52 B12R1.226 O=C(O)CCC1CCCC(=O)N1 Z1262514420 [0,0,0,1,1,0|1,0,0]=3 53 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [0,0,0,1,1,0|1,0,1]=4 54 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [0,0,0,1,1,0|1,0,1]=4 55 B12R1.261 CC(=O)N1CCCCC1C(=O)O Z85895893 [0,0,0,1,1,0|2,0,0]=4 56 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955831204 [0,0,0,1,1,0|1,0,0]=3 57 B12R1.261 O=C(O)C1CCCNC1C(=O)O Z4868649122 [0,0,0,1,1,0|1,0,0]=3 58 B12R1.261 O=C(O)C1CCNCC1C(=O)O Z1655104197 [0,0,0,1,1,0|1,0,0]=3 59 B12R1.261 O=C(O)C1NCCNC1C(=O)O Z4622642298 [0,0,0,1,1,0|2,0,0]=4 60 B12R1.392 CC(=O)N1CCCC1CC(=O)O Z808565612 [0,0,0,1,1,0|2,0,0]=4 61 B12R1.392 O=C(O)CN1CCCC1C(=O)O Z2694339170 [0,0,0,1,1,0|1,0,0]=3 62 B12R1.874 O=C(O)CC1CCCCC(=O)N1 Z1262554304 [0,0,0,1,1,0|1,0,0]=3 63 B12R1.874 O=C(O)CC1CCCNC(=O)C1 Z1262530488 [0,0,0,1,1,0|2,0,0]=4 64 B12R1.1011 O=C1CCCCCC(C1)C(=O)O Z1262523591 [0,0,0,1,1,0|1,0,0]=3 65 B14R1.6388 O=C(O)CCCCCCCCC1CO1 Z1486035990 [0,0,0,1,0,1|1,0,1]=4 66 B14R1.6355 NC(=O)C1CCCN(C1)CCC(=O)O Z169216814 [0,1,0,1,0,0|2,0,0]=4 67 B14R1.4349 O=C(O)CCN1C[C@@H](C[C@@H]1C(=O)O)O Z3345465880 [0,1,0,1,0,0|1,0,0]=3 68 B14R2.641 O=C1C[C@@]2(CCCC[C@@H]2N1)C(=O)O Z3035100962 [0,0,0,2,0,0|2,0,0]=4 69 B14R2.8824 O=C(O)[C@@H]1C[C@@H]2CCCN2C(=O)N1 Z4119344232 [0,0,0,2,0,0|2,0,0]=4 70 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,0,0,0,2,0|2,0,0]=4 71 B10R0.97 O=C(O)CCCCCC(=O)O Z104495338 [0,0,0,0,2,0|0,0,0]=2 72 B10R0.97 O=C(O)CCSCCC(=O)O Z104476280 [0,0,0,0,2,0|1,0,0]=3 73 B10R0.97 O=C(O)CSCSCC(=O)O Z56759247 [0,0,0,0,2,0|2,0,0]=4