0 B12R1.255 NC(=O)CCCCC1CCSS1 Z101185540 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.255 O=C(O)CCCCC1CCSS1 Z56969297 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.255 O=C(O)CCCCC1CSSC1 Z1508929151 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.255 O=C(O)CCCCN1CCCC1 Z1650859695 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 Z1269228108 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 Z1269169215 [0,0,0,0,0,0|0,0,0]=0 6 B12R1.255 O=C(O)CCOCC1CCCO1 Z316259312 [0,0,0,0,0,0|2,1,0]=3 7 B13R1.167 NC1CCCC1CCCCC(=O)O Z5386737761 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.536 COC(=O)CCNCC1CCCO1 Z53116378 [0,1,0,0,0,0|2,1,0]=4 9 B11R0.148 CCCCCCCCCC(=O)O Z104474944 [0,0,1,0,0,0|2,0,0]=3 10 B11R0.148 CCCCCCCNCC(=O)O Z1259273296 [0,0,1,0,0,0|3,0,0]=4 11 B11R0.148 CNCCCNCCCC(=O)O Z1537009544 [0,0,1,0,0,0|3,0,0]=4 12 B13R2.35 O=C(O)C1CCCC12OCCO2 Z1262515761 [0,0,0,1,0,0|2,1,0]=4 13 B13R2.35 O=C(O)C1CNCC12CCCC2 Z2692249215 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.432 O=C(O)C1CCN1C2CCCC2 Z1255450742 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.5569 O=C(O)[C@@H]1CCC[C@@H]2[C@H]1CCN2 Z4608612461 [0,0,0,1,0,0|2,0,0]=3 16 B11R1.172 O=C(O)CCCC1CCCC1 Z1209411148 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.172 O=C(O)CCCN1CCCC1 Z763029994 [0,0,0,0,1,0|3,0,0]=4 18 B11R1.172 O=C(O)CCNC1CCCC1 Z910841990 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.172 O=C(O)CCSC1CCCC1 Z102926388 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.172 O=C(O)CNCC1CCCO1 Z4840900390 [0,0,0,0,1,0|2,1,0]=4 21 B11R1.172 O=C(O)COCC1CCCC1 Z1255418412 [0,0,0,0,1,0|3,0,0]=4 22 B11R1.172 O=C(O)COCC1CCCO1 Z316259308 [0,0,0,0,1,0|2,1,0]=4 23 B11R1.172 O=C(O)COCC1CCOC1 Z825745840 [0,0,0,0,1,0|2,1,0]=4 24 B11R1.172 O=C(O)CSCC1CCCO1 Z239951478 [0,0,0,0,1,0|2,1,0]=4 25 B13R1.337 O=C(O)CCCCN1CCCCC1 Z1270387209 [0,0,0,0,0,1|3,0,0]=4 26 B13R1.337 O=C(O)CCCCN1CCOCC1 Z362634334 [0,0,0,0,0,1|2,1,0]=4 27 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [1,0,1,0,0,0|1,0,0]=3 28 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [1,0,1,0,0,0|1,0,1]=4 29 B10R0.4 CCCCCCCCC(=O)N Z296759818 [1,0,1,0,0,0|2,0,0]=4 30 B10R0.4 CCCCCCCCC(=O)O Z104473336 [1,0,1,0,0,0|1,0,0]=3 31 B10R0.4 CCCCCCOCC(=O)O Z362795556 [1,0,1,0,0,0|2,0,0]=4 32 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [1,0,1,0,0,0|0,1,0]=3 33 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [1,0,1,0,0,0|1,0,0]=3 34 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [1,0,1,0,0,0|1,0,0]=3 35 B10R0.71 CCCCCCCCCC=O Z104477054 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.21 OCCCNC1CCSC1 Z90505835 [2,0,0,0,0,0|2,0,0]=4 37 B12R0.4 CCCCCCCC(N)CC(=O)O Z2732205949 [0,1,1,0,0,0|2,0,0]=4 38 B12R0.234 C=CCCCCCCCCC(=O)O Z104479700 [0,1,1,0,0,0|2,0,0]=4 39 B12R0.234 CCCCCCCCCCC(=O)O Z104473988 [0,1,1,0,0,0|2,0,0]=4 40 B12R0.234 CCCCCCCCOCC(=O)O Z362795602 [0,1,1,0,0,0|2,0,0]=4 41 B12R0.234 O=C(O)CCCCCCCCCO Z1255434772 [0,1,1,0,0,0|1,1,0]=4 42 B12R0.268 O=C(O)CCCCCCCC(=O)O Z57127532 [0,1,1,0,0,0|1,1,0]=4 43 B12R1.264 NC(CCC1CCCC1)C(=O)O Z4968141019 [0,1,0,0,1,0|2,0,0]=4 44 B14R1.159 NC1CCCCC1CCCCC(=O)O Z5628310222 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.4 NC[C@H]1CC[C@@H](CC1)CC(=O)O Z1741970026 [0,0,1,1,0,0|2,0,0]=4 46 B12R1.125 CC1CNCCC1CCC(=O)O Z2235791789 [0,0,1,1,0,0|2,0,0]=4 47 B12R1.125 CN1CCCCC1CCC(=O)O Z1839480698 [0,0,1,1,0,0|2,0,0]=4 48 B12R1.125 NC1CCCCC1CCC(=O)O Z2230911221 [0,0,1,1,0,0|2,0,0]=4 49 B12R1.212 NC1CCCCCCC1C(=O)O Z1404660384 [0,0,1,1,0,0|2,0,0]=4 50 B12R1.252 O=C(O)CCCC1CCCCC1 Z104482928 [0,0,1,1,0,0|2,0,0]=4 51 B12R1.252 O=C(O)CCCC1CCCCN1 Z2106608775 [0,0,1,1,0,0|2,0,0]=4 52 B12R1.252 O=C(O)CCCC1CCCNC1 Z2831439612 [0,0,1,1,0,0|2,0,0]=4 53 B12R1.252 O=C(O)CCCC1CCNCC1 Z2106608777 [0,0,1,1,0,0|2,0,0]=4 54 B12R1.252 O=C(O)CCCC1CCOCC1 Z1209411166 [0,0,1,1,0,0|1,1,0]=4 55 B12R1.283 CCCN1CCCCC1C(=O)O Z763030024 [0,0,1,1,0,0|2,0,0]=4 56 B12R1.1343 O=C(O)CCC1CCCCNC1 Z5060031354 [0,0,1,1,0,0|2,0,0]=4 57 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [0,0,1,1,0,0|1,1,0]=4 58 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [0,0,1,1,0,0|1,1,0]=4 59 B12R2.7 O=C1CCCCC12CCCC2 Z1201627123 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.2336 O=CCCC1CC2CCC1C2 Z1333038176 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.1354 O=C(O)[C@@H]1C[C@H]1C2CCCN2 Z4463177212 [0,0,0,1,1,0|2,0,0]=4 62 B12R2.1387 O=C(O)C1CCC2CC1CO2 Z2943874848 [0,0,0,1,1,0|1,1,0]=4 63 B12R2.1387 O=C(O)[C@@H]1CC[C@H]2CC[C@H]1O2 Z3327103110 [0,0,0,1,1,0|1,1,0]=4 64 B12R2.1661 O=C(O)CC1CC2CCC1C2 Z104478450 [0,0,0,1,1,0|2,0,0]=4 65 B12R2.1661 O=C(O)CC1CC2CCC1O2 Z2284432456 [0,0,0,1,1,0|1,1,0]=4 66 B14R2.55 O=C(O)C1CCCC12CCOCC2 Z1993636637 [0,0,0,1,0,1|1,1,0]=4 67 B14R2.31359 O=C(O)C1CCCC2C1CCCC2 Z1262514786 [0,0,0,1,0,1|2,0,0]=4 68 B14R2.763 O=C(O)C1CCCN1C2CCCC2 Z1483956698 [0,0,0,1,0,1|2,0,0]=4 69 B14R2.763 O=C(O)C1CCCN1C2CCNC2 Z991517158 [0,0,0,1,0,1|2,0,0]=4 70 B14R2.763 O=C(O)C1NCCC1C2CCCO2 Z2235681284 [0,0,0,1,0,1|1,1,0]=4 71 B14R2.763 O=C(O)[C@@H]1CNC[C@H]1C2CCCC2 Z2680923823 [0,0,0,1,0,1|2,0,0]=4 72 B14R2.53 O=C(O)C1CCC(O1)C2CCCO2 Z1430585481 [0,1,0,1,0,0|1,1,0]=4 73 B14R2.36585 O=C(O)CC1CCC2(C1)CCNC2 Z5623257887 [0,1,0,1,0,0|2,0,0]=4 74 B14R2.30765 NC1(CCCC12CCCC2)C(=O)O Z2217144652 [0,1,0,1,0,0|2,0,0]=4 75 B10R0.3 CCCC(C)CCCC(=O)O Z1198160150 [0,0,1,0,1,0|2,0,0]=4 76 B10R1.66 O=C(O)CCC1CCCC1 Z104478044 [0,0,0,0,2,0|2,0,0]=4 77 B10R1.66 O=C(O)CCC1CCCN1 Z2467454523 [0,0,0,0,2,0|2,0,0]=4 78 B10R1.66 O=C(O)CCC1CCCO1 Z362564576 [0,0,0,0,2,0|1,1,0]=4 79 B10R1.66 O=C(O)CCC1CCNC1 Z1198312388 [0,0,0,0,2,0|2,0,0]=4 80 B10R1.66 O=C(O)CCC1CCOC1 Z975825286 [0,0,0,0,2,0|1,1,0]=4 81 B10R1.126 O=C(O)CCOCC1CC1 Z332379294 [0,0,0,0,2,0|1,0,0]=3 82 B14R1.422 O=C(O)CCNCCC1CC=CCC1 Z2681922680 [0,0,0,0,0,2|2,0,0]=4