0 B13R1.2565 CCCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210303 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.2565 CCCC(=O)CN1C(=O)CNC1=O 1458a_100000181252_100000210303 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.2565 CCCC(=O)CN1C(=O)CSC1=O 1458a_100000186196_100000210303 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.2565 CCCC(=O)CN1C(=O)CSC1=S 1458a_100000182495_100000210303 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.2565 CCCC(=O)Cc1c(n[nH]c1C)C 1458a_200000188034_100000210303 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.2565 CCCC(=O)Cc1c(noc1C)C 1458a_100000195403_100000210303 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.2565 CCCC(=O)Cc1c(noc1C)C 1458a_100000211992_100000184612 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.2565 CCCC(C)OC1C(=O)CCC1=O 7a_100000764384_100009820769 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.2565 CCNC(=O)CN1C(=O)CCC1=O 11a_100015525214_100000186450 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.2565 CCNC(=O)CN1C(=O)CCC1=O 240690a_100015525214_100000186450 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.2565 CCNC(=O)CN1C(=O)CCC1=O 527a_100015525214_100000186450 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.2565 CNCC(=O)ON1C(=O)CCC1=O 34a_100102657272_100009893033 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.2565 CNCC(=O)ON1C(=O)CCC1=O 7a_106832991635_100009893033 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.2565 COCC(=O)ON1C(=O)CCC1=O 34a_100138415774_100009893033 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.2565 O=C(CCF)CN1C(=O)CCC1=O 1458a_100000186450_100011217306 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.2565 O=C(CCO)CN1C(=O)CCC1=O 1458a_100000186450_100000211926 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.318 CCCC(=O)CN1CCCC1=O 1458a_100000189602_100000210303 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.567 CCCC=Cc1c([nH][nH]c1=O)C 271570a_100016258520_100000686169 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.567 CCCCOC1C(=O)CCC1=O 7a_100000210227_100009820769 [1,0,0,0,0,0|1,0,2]=4 19 B12R1.2217 CCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210202 [1,0,0,0,0,0|3,0,0]=4 20 B14R1.9530 CC(C)CC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210624 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.9530 CC(O)CC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100011218427 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.9530 CN(C)CC(=O)ON1C(=O)CCC1=O 269982a_100102631434_100009893033 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.10327 CCCCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210211 [0,1,0,0,0,0|3,0,0]=4 24 B14R1.10327 CCCNC(=O)CN1C(=O)CCC1=O 11a_100020643023_100000186450 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.10327 CCCNC(=O)CN1C(=O)CCC1=O 240690a_100020643023_100000186450 [0,1,0,0,0,0|3,0,0]=4 26 B14R1.10327 CCCNC(=O)CN1C(=O)CCC1=O 527a_100020643023_100000186450 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.10327 CCOCC(=O)ON1C(=O)CCC1=O 34a_100121572206_100009893033 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.10327 COCCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000233755 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.10327 CSCCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000751147 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.10327 O=C(CCCF)CN1C(=O)CCC1=O 1458a_100000186450_100011934791 [0,1,0,0,0,0|3,0,0]=4 31 B14R1.10327 O=C(CCCO)CN1C(=O)CCC1=O 1458a_100000186450_100011215043 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.10420 CCCC(=O)C(C)N1C(=O)CCC1=O 1458a_100000188729_100000210303 [0,1,0,0,0,0|3,0,0]=4 33 B14R1.13089 CCC(C)C(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000758301 [0,1,0,0,0,0|3,0,0]=4 34 B12R0.101 C#CCCC(=O)COC(=O)CCC 1458a_100000692101_100000034017 [0,0,1,0,0,0|0,0,3]=4 35 B12R0.101 C/C=C/CC(=O)C=CC(=O)OCC 1458a_100000210415_100102629194 [0,0,1,0,0,0|2,0,1]=4 36 B12R0.101 C=CCCC(=NNC(=O)CCC)C 4a_100000189770_100000762624 [0,0,1,0,0,0|3,0,0]=4 37 B12R0.101 C=CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000754431 [0,0,1,0,0,0|2,0,1]=4 38 B12R0.101 C=CCCC(=O)COC(=O)CCC 1458a_100000749702_100000034017 [0,0,1,0,0,0|0,0,2]=3 39 B12R0.101 C=CCCC(=O)NNC(=O)CCC 22a_100000189770_100000749702 [0,0,1,0,0,0|2,0,1]=4 40 B12R0.101 C=CCCN(C)COC(=O)CCC 2230a_100020639649_100000034017 [0,0,1,0,0,0|2,0,1]=4 41 B12R0.101 C=CCCN(C)COC(=O)CCC 269982a_100020639649_100000034017 [0,0,1,0,0,0|2,0,1]=4 42 B12R0.101 CC=CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000070051 [0,0,1,0,0,0|2,0,1]=4 43 B12R0.101 CC=CCC(=O)COC(=O)CCC 1458a_100121576822_100000034017 [0,0,1,0,0,0|0,0,2]=3 44 B12R0.101 CC=CCC(=O)NNC(=O)CCC 22a_100000189770_100121576822 [0,0,1,0,0,0|2,0,1]=4 45 B12R0.101 CCCC(=O)NNC(=O)CCOC 22a_100000189770_100000749529 [0,0,1,0,0,0|3,0,0]=4 46 B12R0.101 CCCC(=O)NNC(=O)CCOC 22a_100011260505_100000211992 [0,0,1,0,0,0|3,0,0]=4 47 B12R0.101 CCCC(=O)NNC(=O)CCSC 22a_100000189770_100000174002 [0,0,1,0,0,0|3,0,0]=4 48 B12R0.101 CCCC(=O)OCC(=O)CCC#N 1458a_100011934036_100000034017 [0,0,1,0,0,0|1,0,2]=4 49 B12R0.101 CCCC(=O)OCC(=O)CCOC 1458a_100000749529_100000034017 [0,0,1,0,0,0|1,0,1]=3 50 B12R0.101 CCCC(=O)OCC(=O)CCSC 1458a_100000174002_100000034017 [0,0,1,0,0,0|1,0,1]=3 51 B12R0.101 CCCC(=O)OCC(=O)COCC 1458a_100000211967_100000034017 [0,0,1,0,0,0|1,0,2]=4 52 B12R0.101 CCCC(=O)OCC(=O)CSCC 1458a_100000230394_100000034017 [0,0,1,0,0,0|1,0,2]=4 53 B12R0.101 CCCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210211 [0,0,1,0,0,0|2,0,1]=4 54 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,0,1,0,0,0|0,0,2]=3 55 B12R0.101 CCCCC(=O)NNC(=O)CCC 22a_100000189769_100000211992 [0,0,1,0,0,0|2,0,1]=4 56 B12R0.101 CCCCC(=O)NNC(=O)CCC 22a_100000189770_100000210183 [0,0,1,0,0,0|2,0,1]=4 57 B12R0.101 CCOC(=O)C=CC(=O)CCOC 1458a_100000210415_100000233755 [0,0,1,0,0,0|3,0,0]=4 58 B12R0.101 CCOC(=O)C=CC(=O)CCSC 1458a_100000210415_100000751147 [0,0,1,0,0,0|3,0,0]=4 59 B12R1.1589 CCCC(=O)C1C(=O)NN=C1C 1458a_100000211992_200009843013 [0,0,0,0,1,0|2,0,1]=4 60 B14R1.18023 CCCC(=O)CCN1C(=O)CCC1=O 1458a_100000184106_100000210303 [0,0,0,0,0,1|3,0,0]=4 61 B14R1.18023 CCCC(=O)CCN1C(=O)CCC1=O 1458a_100000211992_100000736797 [0,0,0,0,0,1|3,0,0]=4 62 B14R1.18023 CCCC(=O)CSC1C(=O)CCC1=O 62a_100000747444_100009820769 [0,0,0,0,0,1|1,1,1]=4 63 B14R1.18023 CCCC(=O)CSC1C(=O)CCC1=O 62a_100009820769_100000747444 [0,0,0,0,0,1|1,1,1]=4 64 B11R0.187 C/C=C(\C)/C(=O)CC(=O)CCC 1458a_100020587367_100000747444 [1,0,1,0,0,0|1,0,1]=4 65 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [1,0,1,0,0,0|1,0,1]=4 66 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [1,0,1,0,0,0|2,0,0]=4 67 B11R0.187 CCCC(=O)NC(C)C(=O)CC 1458a_100000205598_100000210202 [1,0,1,0,0,0|1,0,1]=4 68 B11R0.108 CCC(=O)OC(C(=O)C)C(C)C 1458a_100000070787_100016989192 [1,0,1,0,0,0|0,0,2]=4 69 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [1,0,1,0,0,0|1,0,1]=4 70 B11R0.62 C=CCC(=O)COC(=O)CCC 1458a_100000210193_100000034017 [1,0,1,0,0,0|0,0,2]=4 71 B11R0.62 CC=CC(=O)COC(=O)CCC 1458a_100000210699_100000034017 [1,0,1,0,0,0|0,0,2]=4 72 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [1,0,1,0,0,0|2,0,0]=4 73 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [1,0,1,0,0,0|0,0,1]=3 74 B11R0.62 CCCC(=O)NNC(=O)CCC 22a_100000189770_100000211992 [1,0,1,0,0,0|2,0,0]=4 75 B11R0.62 CCCC(=O)OCC(=O)CCO 1458a_100011216618_100000034017 [1,0,1,0,0,0|1,0,1]=4 76 B11R0.62 CCCC(=O)OCC(=O)COC 1458a_100000210968_100000034017 [1,0,1,0,0,0|1,0,1]=4 77 B11R0.62 CCCC(=O)OCC(=O)CSC 1458a_100000184570_100000034017 [1,0,1,0,0,0|1,0,1]=4 78 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [2,0,0,0,0,0|1,0,1]=4 79 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [2,0,0,0,0,0|2,0,0]=4 80 B13R0.17 C=CC(C)CC(=O)COC(=O)CCC 1458a_100011934298_100000034017 [0,1,1,0,0,0|0,0,2]=4 81 B13R0.17 CCCC(=O)OCC(=O)CC(C)CC 1458a_100000708755_100000034017 [0,1,1,0,0,0|0,0,2]=4 82 B13R0.17 CCCC(=O)OCC(=O)CC(O)CC 1458a_100011667805_100000034017 [0,1,1,0,0,0|0,0,2]=4 83 B13R0.18 C=CCC(C)C(=O)COC(=O)CCC 1458a_100011216819_100000034017 [0,1,1,0,0,0|0,0,2]=4 84 B13R0.18 CCCC(=O)OCC(=O)C(C)CCC 1458a_100000210906_100000034017 [0,1,1,0,0,0|0,0,2]=4 85 B13R0.18 CCCC(=O)OCC(=O)C(C)COC 1458a_100000751857_100000034017 [0,1,1,0,0,0|1,0,1]=4 86 B13R0.18 CCCC(=O)OCC(=O)C(C)CSC 1458a_100000753918_100000034017 [0,1,1,0,0,0|1,0,1]=4 87 B13R0.18 CCCC(=O)OCC(=O)[C@@H](O)CCC 1458a_100009822183_100000034017 [0,1,1,0,0,0|0,0,2]=4 88 B13R0.95 C=C(C)CCC(=O)C=CC(=O)OCC 1458a_100000210415_100000730704 [0,1,1,0,0,0|2,0,0]=4 89 B13R0.95 C=C(C)CCC(=O)COC(=O)CCC 1458a_200000688413_100000034017 [0,1,1,0,0,0|0,0,1]=3 90 B13R0.95 C=C(C)CCC(=O)NNC(=O)CCC 22a_100000189770_200000688413 [0,1,1,0,0,0|2,0,0]=4 91 B13R0.95 CCCC(=O)OCC(=O)CC=C(C)C 1458a_100011220947_100000034017 [0,1,1,0,0,0|0,0,2]=4 92 B13R0.95 CCCC(=O)OCC(=O)CCC(=O)N 1458a_100011215257_100000034017 [0,1,1,0,0,0|1,0,1]=4 93 B13R0.95 CCCC(=O)OCC(=O)CCC(C)C 1458a_100000181311_100000034017 [0,1,1,0,0,0|0,0,2]=4 94 B13R0.95 CCCC(=O)OCC(=O)CC[S+](C)C 1458a_100009452791_100000034017 [0,1,1,0,0,0|1,0,1]=4 95 B13R0.95 CCCC(=O)OCC(=O)CNC(=O)C 1458a_100000194580_100000034017 [0,1,1,0,0,0|1,0,1]=4 96 B13R0.95 CCCC(=O)OCC(=O)COC(=O)C 1458a_100000183556_100000034017 [0,1,1,0,0,0|1,0,1]=4 97 B13R0.95 CCCC(=O)OCC(=O)CSC(=O)C 1458a_100000049016_100000034017 [0,1,1,0,0,0|1,0,1]=4 98 B13R0.95 CCCC(=O)OCN(C)CCC(=O)N 2230a_100000730477_100000034017 [0,1,1,0,0,0|1,0,1]=4 99 B13R0.176 C=CCCC(=O)COC(=O)OCCC 1458a_100000749702_200000139673 [0,1,1,0,0,0|0,0,2]=4 100 B13R0.176 CC=CCC(=O)COC(=O)OCCC 1458a_100121576822_200000139673 [0,1,1,0,0,0|0,0,2]=4 101 B13R0.176 CCCCC(=O)COC(=O)OCCC 1458a_100000210183_200000139673 [0,1,1,0,0,0|0,0,2]=4 102 B13R0.176 CCCOC(=O)OCC(=O)CCOC 1458a_100000749529_200000139673 [0,1,1,0,0,0|1,0,1]=4 103 B13R0.176 CCCOC(=O)OCC(=O)CCSC 1458a_100000174002_200000139673 [0,1,1,0,0,0|1,0,1]=4 104 B13R0.193 C=CCCCC(=O)COC(=O)CCC 1458a_100000766728_100000034017 [0,1,1,0,0,0|0,0,2]=4 105 B13R0.193 C=CCSCC(=O)COC(=O)CCC 1458a_100000230395_100000034017 [0,1,1,0,0,0|0,0,2]=4 106 B13R0.193 CC/C=C/CC(=O)COC(=O)CCC 1458a_100016274230_100000034017 [0,1,1,0,0,0|0,0,2]=4 107 B13R0.193 CCCC(=O)OCC(=O)CCCCO 1458a_100000695505_100000034017 [0,1,1,0,0,0|0,0,2]=4 108 B13R0.193 CCCC(=O)OCC(=O)CCCOC 1458a_100000741012_100000034017 [0,1,1,0,0,0|0,0,2]=4 109 B13R0.193 CCCC(=O)OCC(=O)CCCSC 1458a_100000173376_100000034017 [0,1,1,0,0,0|0,0,2]=4 110 B13R0.193 CCCC(=O)OCC(=O)CCOCC 1458a_100000749530_100000034017 [0,1,1,0,0,0|0,0,2]=4 111 B13R0.193 CCCC(=O)OCC(=O)CCSCC 1458a_100000230768_100000034017 [0,1,1,0,0,0|0,0,2]=4 112 B13R0.193 CCCCCC(=O)COC(=O)CCC 1458a_100000212188_100000034017 [0,1,1,0,0,0|0,0,2]=4 113 B13R0.193 CCCOCC(=O)COC(=O)CCC 1458a_100000745993_100000034017 [0,1,1,0,0,0|0,0,2]=4 114 B13R0.193 CCCSCC(=O)COC(=O)CCC 1458a_100000217233_100000034017 [0,1,1,0,0,0|0,0,2]=4 115 B15R1.39518 CCN(C)CC(=O)ON1C(=O)CCC1=O 269982a_100000225621_100009893033 [0,2,0,0,0,0|2,0,0]=4 116 B15R1.15133 CC(C)NCC(=O)ON1C(=O)CCC1=O 34a_100138425928_100009893033 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.15133 CC(C)OCC(=O)ON1C(=O)CCC1=O 34a_100000212225_100009893033 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.23378 CCCOCC(=O)ON1C(=O)CCC1=O 34a_100000210258_100009893033 [0,2,0,0,0,0|2,0,0]=4 119 B15R1.23378 NCCOCC(=O)ON1C(=O)CCC1=O 34a_100000210304_100009893033 [0,2,0,0,0,0|2,0,0]=4 120 B15R1.23378 O=C(CNCCF)ON1C(=O)CCC1=O 34a_100000724931_100009893033 [0,2,0,0,0,0|2,0,0]=4 121 B15R1.23378 O=C(CNCCO)ON1C(=O)CCC1=O 34a_100016990907_100009893033 [0,2,0,0,0,0|2,0,0]=4 122 B15R1.23378 O=C(COCCBr)ON1C(=O)CCC1=O 34a_100000211926_100009893033 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.1309 C=CCCC(=O)COC(=O)C1CC1 1458a_100000749702_100000140896 [0,0,1,1,0,0|0,0,2]=4 124 B13R1.1309 CC=CCC(=O)COC(=O)C1CC1 1458a_100121576822_100000140896 [0,0,1,1,0,0|0,0,2]=4 125 B13R1.1309 CCCCC(=O)COC(=O)C1CC1 1458a_100000210183_100000140896 [0,0,1,1,0,0|0,0,2]=4 126 B13R1.1309 COCCC(=O)COC(=O)C1CC1 1458a_100000749529_100000140896 [0,0,1,1,0,0|1,0,1]=4 127 B13R1.1309 CSCCC(=O)COC(=O)C1CC1 1458a_100000174002_100000140896 [0,0,1,1,0,0|1,0,1]=4 128 B13R1.3130 CCCC(=O)OCC(=O)C1CCC1 1458a_100000209988_100000034017 [0,0,1,1,0,0|0,0,2]=4 129 B13R1.3130 CCCC(=O)OCC(=O)C1COC1 1458a_100000758290_100000034017 [0,0,1,1,0,0|1,0,1]=4 130 B13R1.3132 CCCC(=O)OCC(=O)CC1CC1 1458a_100000738066_100000034017 [0,0,1,1,0,0|0,0,2]=4 131 B13R1.5541 CCCC(=O)OCC(=O)C1CC1C 1458a_100000211227_100000034017 [0,0,1,1,0,0|0,0,2]=4 132 B11R0.5 C/C=C/CC(=O)C=C(C)CCC 1458a_100020676950_100102629194 [0,0,1,0,1,0|1,0,1]=4 133 B11R0.5 C=CCCC(=O)C=C(C)CCC 1458a_100020676950_100000754431 [0,0,1,0,1,0|1,0,1]=4 134 B11R0.5 C=CCCC(=O)CC(=O)CCC 1458a_100000749702_100000747444 [0,0,1,0,1,0|0,0,2]=4 135 B11R0.5 CC=CCC(=O)C=C(C)CCC 1458a_100020676950_100000070051 [0,0,1,0,1,0|1,0,1]=4 136 B11R0.5 CC=CCC(=O)CC(=O)CCC 1458a_100121576822_100000747444 [0,0,1,0,1,0|0,0,2]=4 137 B11R0.5 CCCC(=CC(=O)CCOC)C 1458a_100020676950_100000233755 [0,0,1,0,1,0|2,0,0]=4 138 B11R0.5 CCCC(=CC(=O)CCSC)C 1458a_100020676950_100000751147 [0,0,1,0,1,0|2,0,0]=4 139 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,0,1,0,1,0|1,0,1]=4 140 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,0,1,0,1,0|1,0,1]=4 141 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [0,0,1,0,1,0|1,0,1]=4 142 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,0,1,0,1,0|0,0,2]=4 143 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [1,0,0,0,1,0|0,0,2]=4 144 B13R0.357 CCCC(=O)COC(CC)C(=O)CC 7a_200011218131_100000747444 [0,0,1,0,0,1|0,0,2]=4 145 B13R1.444 CCCC(C)OCC1=CCCC1=O 34a_100000087531_100000766640 [1,0,0,0,0,1|1,0,1]=4 146 B15R1.10329 CCCC(=O)OCSC1C(=O)CCC1=O 62a_100009820769_100000034017 [0,0,0,0,0,2|1,0,1]=4