0 B12R1.567 CC/C=C\CN1C(CCC1C)C 2230a_100000687148_100103147603 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.567 CC/C=C\CN1C(CCC1C)C 269982a_100000687148_100103147603 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.567 CC/C=C\CN1C(CCC1C)C 34a_100000687148_100103147603 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.567 CCCC=Cc1c([nH][nH]c1=O)C 271570a_100016258520_100000686169 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.567 CCNCCN1C(=O)CCC1=O 2230a_100015525214_100000736797 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.567 CCOC=Cc1c([nH][nH]c1=O)C 271570a_100016256518_100000686169 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.567 CCOCCN1C(=O)CCC1=O 34a_100000230492_100000210202 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.567 CCOCCN1C(=O)CCC1=O 34a_100121572206_100000736797 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.567 CCSCCN1C(=O)CCC1=O 62a_100000210202_100000736797 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 2230a_100020605311_100103147603 [1,0,0,0,0,0|1,0,2]=4 10 B11R1.180 CC/C=C\CN1CCC[C@@H]1C 269982a_100020605311_100103147603 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.180 CC/C=C\CN1CCC[C@H]1C 2230a_100015189458_100103147603 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.180 CC/C=C\CN1CCC[C@H]1C 269982a_100015189458_100103147603 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.180 CC/C=C\CN1CCC[C@H]1C 34a_100015189458_100103147603 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.180 CSCOCC1=CCCC1=O 34a_100000087531_100011218213 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.180 O=C1CCC=C1COCCF 34a_100000087531_100011217306 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.180 O=C1CCC=C1COCCO 34a_100000087531_100000211926 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.465 CCCCc1c([nH][nH]c1=O)C 271570a_100020621405_100000686169 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.1133 CC/C=C\COC1C(=O)COC1=O 34a_100016268518_100000032967 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.1133 CC/C=C\COc1c(n[nH]c1C)C 34a_100012186652_100103147603 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.1133 CC/C=C\CSC1C(=O)CCC1=O 62a_100009820769_100103147603 [0,1,0,0,0,0|1,0,1]=3 22 B13R1.1133 CC/C=C\CSC1C(=O)CCC1=O 62a_100103147603_100009820769 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.1133 CC/C=C\CSC1C(=O)COC1=O 62a_100103147603_100000032967 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.1133 CC/C=C\CSC1C(=O)NN=C1C 62a_100103147603_200009843013 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.1133 CC/C=C\CSc1c(n[nH]c1C)C 62a_100000238710_100103147603 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.1133 CC/C=C\CSc1c(n[nH]c1C)C 62a_100103147603_100000238710 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.1133 CC/C=C\CSc1c(n[nH]c1N)C 62a_100000182022_100103147603 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.1133 CC/C=C\CSc1c(n[nH]c1N)C 62a_100103147603_100000182022 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.1133 CC/C=C\CSc1c(noc1C)C 62a_100000694658_100103147603 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.1133 CC/C=C\CSc1c(noc1C)C 62a_100103147603_100000694658 [0,1,0,0,0,0|3,0,0]=4 31 B13R1.1133 CC/C=C\CSc1c(noc1C)N 62a_100011216220_100103147603 [0,1,0,0,0,0|3,0,0]=4 32 B13R1.1133 CC/C=C\CSc1c(noc1C)N 62a_100103147603_100011216220 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.1133 CC/C=C\CSc1c(noc1C)O 62a_100010730664_100103147603 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.1133 CC/C=C\CSc1c(noc1C)O 62a_100103147603_100010730664 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.1133 CC/C=C\CSc1c(noc1N)C 62a_100000754107_100103147603 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.1133 CC/C=C\CSc1c(noc1N)C 62a_100103147603_100000754107 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.1133 CC/C=C\CSc1c(nsc1N)C 62a_100000701153_100103147603 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.1133 CC/C=C\CSc1c(nsc1N)C 62a_100103147603_100000701153 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.2042 CCC(=O)CCN1C(=O)CCC1=O 1458a_100000184106_100000210202 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.2042 CCC(=O)CCN1C(=O)CCC1=O 1458a_100000210414_100000736797 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.2565 CCCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210303 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.2565 CCNC(=O)CN1C(=O)CCC1=O 11a_100015525214_100000186450 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.2565 CCNC(=O)CN1C(=O)CCC1=O 240690a_100015525214_100000186450 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.2565 CCNC(=O)CN1C(=O)CCC1=O 527a_100015525214_100000186450 [0,1,0,0,0,0|3,0,0]=4 45 B11R0.81 C#CCCC(=O)CC/C=C\CC 1458a_100000692101_100015370543 [0,0,1,0,0,0|0,0,3]=4 46 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [0,0,1,0,0,0|0,0,2]=3 47 B11R0.81 C=CCCC(C)OC/C=C\CC 34a_100000765329_100103147603 [0,0,1,0,0,0|2,0,1]=4 48 B11R0.81 C=CCCC(C)OC/C=C\CC 7a_100000765329_100103147603 [0,0,1,0,0,0|2,0,1]=4 49 B11R0.81 C=CCCN(C)CC/C=C\CC 2230a_100020639649_100015370543 [0,0,1,0,0,0|2,0,1]=4 50 B11R0.81 C=CCCN(C)CC/C=C\CC 269982a_100020639649_100015370543 [0,0,1,0,0,0|2,0,1]=4 51 B11R0.81 CC/C=C\CCC(=O)CCC#N 1458a_100011934036_100015370543 [0,0,1,0,0,0|1,0,2]=4 52 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,0,1,0,0,0|0,0,2]=3 53 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,0,1,0,0,0|1,0,1]=3 54 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,0,1,0,0,0|1,0,1]=3 55 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,0,1,0,0,0|1,0,2]=4 56 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,0,1,0,0,0|1,0,2]=4 57 B11R0.81 CC=CCC(=O)CC/C=C\CC 1458a_100121576822_100015370543 [0,0,1,0,0,0|0,0,2]=3 58 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,0,0,1,0,0|1,0,2]=4 59 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,0,0,1,0,0|1,0,2]=4 60 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_100000737041_200000210301 [0,0,0,1,0,0|1,0,2]=4 61 B13R2.2130 CSc1ccc2c(c1)CCC2=O 62a_200000210301_100000737041 [0,0,0,1,0,0|1,0,2]=4 62 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,0,0,1,0,0|1,0,2]=4 63 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,0,0,1,0,0|1,0,2]=4 64 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_100000737041_200025704644 [0,0,0,1,0,0|1,0,2]=4 65 B13R2.2130 [13CH3]Sc1ccc2c(c1)CCC2=O 62a_200025704644_100000737041 [0,0,0,1,0,0|1,0,2]=4 66 B10R0.83 C/C=C(\C)/C(=O)C/C=C\CC 1458a_100020587367_100103147603 [1,0,1,0,0,0|0,0,1]=3 67 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [1,0,1,0,0,0|0,0,1]=3 68 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [1,0,1,0,0,0|1,0,0]=3 69 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [1,0,1,0,0,0|1,0,0]=3 70 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [1,0,1,0,0,0|1,0,0]=3 71 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [1,0,1,0,0,0|1,0,0]=3 72 B10R0.83 CC/C=C\CC(=O)C(=O)NC 1458a_100011218921_100103147603 [1,0,1,0,0,0|2,0,0]=4 73 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [1,0,1,0,0,0|0,0,1]=3 74 B10R0.83 CC/C=C\CC(=O)C(C)OC 1458a_100000743197_100103147603 [1,0,1,0,0,0|1,0,1]=4 75 B10R0.83 CC/C=C\CC(=O)C(C)SC 1458a_100000149566_100103147603 [1,0,1,0,0,0|1,0,1]=4 76 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [1,0,1,0,0,0|1,0,1]=4 77 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [1,0,1,0,0,0|0,0,2]=4 78 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,0,1,0,0,0|0,0,1]=3 79 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,0,1,0,0,0|1,0,1]=4 80 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [1,0,1,0,0,0|1,0,1]=4 81 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [1,0,1,0,0,0|1,0,1]=4 82 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [1,0,1,0,0,0|0,0,2]=4 83 B10R0.71 CC/C=C/C/C=C/CCOC 34a_200016273837_200000210301 [1,0,1,0,0,0|1,0,0]=3 84 B10R0.71 CC/C=C/C/C=C/CCOC 7a_200016273837_200000210301 [1,0,1,0,0,0|1,0,0]=3 85 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 34a_200016273837_200025704644 [1,0,1,0,0,0|1,0,0]=3 86 B10R0.71 CC/C=C/C/C=C/CCO[13CH3] 7a_200016273837_200025704644 [1,0,1,0,0,0|1,0,0]=3 87 B10R0.71 CC/C=C\CSCCCC=O 62a_100103147603_200011292268 [1,0,1,0,0,0|1,0,1]=4 88 B10R0.71 CC/C=C\CSCCCC=O 62a_200011292268_100103147603 [1,0,1,0,0,0|1,0,1]=4 89 B10R0.91 C#CCCC(=O)C/C=C/CC 1458a_100016274230_100000753159 [1,0,1,0,0,0|0,0,2]=4 90 B10R0.91 C#CCCC(=O)C/C=C\CC 1458a_100000692101_100103147603 [1,0,1,0,0,0|0,0,2]=4 91 B10R0.91 C/C=C/C=CC(=O)C/C=C/C 1458a_100000185730_100102629194 [1,0,1,0,0,0|0,0,2]=4 92 B10R0.91 C/C=C/C=CC(=O)CCCC 1458a_100000185730_100000210211 [1,0,1,0,0,0|0,0,2]=4 93 B10R0.91 C/C=C/C=CC(=O)CCOC 1458a_100000185730_100000233755 [1,0,1,0,0,0|1,0,1]=4 94 B10R0.91 C/C=C/C=CC(=O)CCSC 1458a_100000185730_100000751147 [1,0,1,0,0,0|1,0,1]=4 95 B10R0.91 C/C=C/CC(=O)C/C=C/CC 1458a_100016274230_100102629194 [1,0,1,0,0,0|0,0,1]=3 96 B10R0.91 C/C=C/CC(=O)C=CCCC 1458a_100000212230_100102629194 [1,0,1,0,0,0|0,0,2]=4 97 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [1,0,1,0,0,0|1,0,1]=4 98 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [1,0,1,0,0,0|0,0,1]=3 99 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [1,0,1,0,0,0|0,0,1]=3 100 B10R0.91 C=CCCC(=O)C=C/C=C/C 1458a_100000185730_100000754431 [1,0,1,0,0,0|0,0,2]=4 101 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [1,0,1,0,0,0|0,0,2]=4 102 B10R0.91 C=CCCC(=O)C=COCC 1458a_100016266692_100000754431 [1,0,1,0,0,0|1,0,1]=4 103 B10R0.91 C=CCCN(C)C/C=C\CC 2230a_100020639649_100103147603 [1,0,1,0,0,0|2,0,0]=4 104 B10R0.91 C=CCCN(C)C/C=C\CC 269982a_100020639649_100103147603 [1,0,1,0,0,0|2,0,0]=4 105 B10R0.91 C=CCNC(=O)C/C=C/CC 1626a_100020586998_100016274230 [1,0,1,0,0,0|1,0,1]=4 106 B10R0.91 C=CCNC(=O)C/C=C/CC 240690a_100020586998_100016274230 [1,0,1,0,0,0|1,0,1]=4 107 B10R0.91 C=CCNC(=O)C/C=C/CC 527a_100020586998_100016274230 [1,0,1,0,0,0|1,0,1]=4 108 B10R0.91 CC#CCC(=O)C/C=C/CC 1458a_100016274230_100000748600 [1,0,1,0,0,0|0,0,2]=4 109 B10R0.91 CC/C=C/CC(=O)CCC#N 1458a_100016274230_100011215226 [1,0,1,0,0,0|1,0,1]=4 110 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [1,0,1,0,0,0|0,0,1]=3 111 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [1,0,1,0,0,0|1,0,1]=4 112 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [1,0,1,0,0,0|1,0,1]=4 113 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [1,0,1,0,0,0|1,0,0]=3 114 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [1,0,1,0,0,0|1,0,0]=3 115 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [1,0,1,0,0,0|1,0,1]=4 116 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [1,0,1,0,0,0|1,0,1]=4 117 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [1,0,1,0,0,0|1,0,1]=4 118 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [1,0,1,0,0,0|1,0,1]=4 119 B10R0.91 CC/C=C\CC(=O)CCC#N 1458a_100011934036_100103147603 [1,0,1,0,0,0|1,0,1]=4 120 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [1,0,1,0,0,0|0,0,1]=3 121 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [1,0,1,0,0,0|1,0,0]=3 122 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [1,0,1,0,0,0|1,0,0]=3 123 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [1,0,1,0,0,0|1,0,1]=4 124 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [1,0,1,0,0,0|1,0,1]=4 125 B10R0.91 CC=CCC(=O)C/C=C/CC 1458a_100016274230_100000070051 [1,0,1,0,0,0|0,0,1]=3 126 B10R0.91 CC=CCC(=O)C/C=C\CC 1458a_100121576822_100103147603 [1,0,1,0,0,0|0,0,1]=3 127 B10R0.91 CC=CCC(=O)C=C/C=C/C 1458a_100000185730_100000070051 [1,0,1,0,0,0|0,0,2]=4 128 B10R0.91 CC=CCC(=O)C=CCCC 1458a_100000212230_100000070051 [1,0,1,0,0,0|0,0,2]=4 129 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [1,0,1,0,0,0|1,0,1]=4 130 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [1,0,1,0,0,0|0,0,2]=4 131 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [1,0,1,0,0,0|1,0,1]=4 132 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [1,0,1,0,0,0|1,0,1]=4 133 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [1,0,1,0,0,0|1,0,1]=4 134 B10R0.91 CCOC=CC(=O)CCOC 1458a_100016266692_100000233755 [1,0,1,0,0,0|2,0,0]=4 135 B10R0.91 CCOC=CC(=O)CCSC 1458a_100016266692_100000751147 [1,0,1,0,0,0|2,0,0]=4 136 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [2,0,0,0,0,0|1,0,0]=3 137 B10R1.29 O=C1CCC=C1COCF 34a_100000087531_100015361967 [2,0,0,0,0,0|2,0,0]=4 138 B10R1.187 CC=Cc1c([nH][nH]c1=O)C 271570a_100016259895_100000686169 [2,0,0,0,0,0|2,0,0]=4 139 B12R0.200 CC/C=C\COC(CC)C(=O)CC 34a_200011218131_100103147603 [0,1,1,0,0,0|0,0,2]=4 140 B12R0.200 CC/C=C\COC(CC)C(=O)CC 7a_200011218131_100103147603 [0,1,1,0,0,0|0,0,2]=4 141 B12R0.47 C=CCCCC(=O)CC/C=C\CC 1458a_100000766728_100015370543 [0,1,1,0,0,0|0,0,2]=4 142 B12R0.47 C=CCSCC(=O)CC/C=C\CC 1458a_100000230395_100015370543 [0,1,1,0,0,0|0,0,2]=4 143 B12R0.47 CC/C=C\CCC(=O)C/C=C/CC 1458a_100016274230_100015370543 [0,1,1,0,0,0|0,0,2]=4 144 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,1,1,0,0,0|0,0,2]=4 145 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [0,1,1,0,0,0|0,0,2]=4 146 B12R0.47 CC/C=C\CCC(=O)CCCOC 1458a_100000741012_100015370543 [0,1,1,0,0,0|0,0,2]=4 147 B12R0.47 CC/C=C\CCC(=O)CCCSC 1458a_100000173376_100015370543 [0,1,1,0,0,0|0,0,2]=4 148 B12R0.47 CC/C=C\CCC(=O)CCOCC 1458a_100000749530_100015370543 [0,1,1,0,0,0|0,0,2]=4 149 B12R0.47 CC/C=C\CCC(=O)CCSCC 1458a_100000230768_100015370543 [0,1,1,0,0,0|0,0,2]=4 150 B12R0.47 CC/C=C\CCC(=O)COCCC 1458a_100000745993_100015370543 [0,1,1,0,0,0|0,0,2]=4 151 B12R0.47 CC/C=C\CCC(=O)CSCCC 1458a_100000217233_100015370543 [0,1,1,0,0,0|0,0,2]=4 152 B12R0.113 C=CC(C)CC(=O)CC/C=C\CC 1458a_100011934298_100015370543 [0,1,1,0,0,0|0,0,2]=4 153 B12R0.113 CC/C=C\CCC(=O)CC(C)CC 1458a_100000708755_100015370543 [0,1,1,0,0,0|0,0,2]=4 154 B12R0.113 CC/C=C\CCC(=O)CC(O)CC 1458a_100011667805_100015370543 [0,1,1,0,0,0|0,0,2]=4 155 B12R0.114 C=CCC(C)C(=O)CC/C=C\CC 1458a_100011216819_100015370543 [0,1,1,0,0,0|0,0,2]=4 156 B12R0.114 CC/C=C\CCC(=O)C(C)CCC 1458a_100000210906_100015370543 [0,1,1,0,0,0|0,0,2]=4 157 B12R0.114 CC/C=C\CCC(=O)C(C)COC 1458a_100000751857_100015370543 [0,1,1,0,0,0|1,0,1]=4 158 B12R0.114 CC/C=C\CCC(=O)C(C)CSC 1458a_100000753918_100015370543 [0,1,1,0,0,0|1,0,1]=4 159 B12R0.114 CC/C=C\CCC(=O)[C@@H](O)CCC 1458a_100009822183_100015370543 [0,1,1,0,0,0|0,0,2]=4 160 B12R0.206 C/C=C/CC(=O)C=C/C=C/CCC 1458a_200016258893_100102629194 [0,1,1,0,0,0|0,0,2]=4 161 B12R0.206 C=CCCC(=O)C=C/C=C/CCC 1458a_200016258893_100000754431 [0,1,1,0,0,0|0,0,2]=4 162 B12R0.206 CC=CCC(=O)C=C/C=C/CCC 1458a_200016258893_100000070051 [0,1,1,0,0,0|0,0,2]=4 163 B12R0.206 CCC/C=C/C=CC(=O)CCCC 1458a_200016258893_100000210211 [0,1,1,0,0,0|0,0,2]=4 164 B12R0.206 CCC/C=C/C=CC(=O)CCOC 1458a_200016258893_100000233755 [0,1,1,0,0,0|1,0,1]=4 165 B12R0.206 CCC/C=C/C=CC(=O)CCSC 1458a_200016258893_100000751147 [0,1,1,0,0,0|1,0,1]=4 166 B12R0.255 C=C(C)CCC(=O)CC/C=C\CC 1458a_200000688413_100015370543 [0,1,1,0,0,0|0,0,1]=3 167 B12R0.255 CC/C=C\CCC(=O)CC=C(C)C 1458a_100011220947_100015370543 [0,1,1,0,0,0|0,0,2]=4 168 B12R0.255 CC/C=C\CCC(=O)CCC(=O)N 1458a_100011215257_100015370543 [0,1,1,0,0,0|1,0,1]=4 169 B12R0.255 CC/C=C\CCC(=O)CCC(C)C 1458a_100000181311_100015370543 [0,1,1,0,0,0|0,0,2]=4 170 B12R0.255 CC/C=C\CCC(=O)CC[S+](C)C 1458a_100009452791_100015370543 [0,1,1,0,0,0|1,0,1]=4 171 B12R0.255 CC/C=C\CCC(=O)CNC(=O)C 1458a_100000194580_100015370543 [0,1,1,0,0,0|1,0,1]=4 172 B12R0.255 CC/C=C\CCC(=O)COC(=O)C 1458a_100000183556_100015370543 [0,1,1,0,0,0|1,0,1]=4 173 B12R0.255 CC/C=C\CCC(=O)CSC(=O)C 1458a_100000049016_100015370543 [0,1,1,0,0,0|1,0,1]=4 174 B12R0.255 CC/C=C\CCN(C)CCC(=O)N 2230a_100000730477_100015370543 [0,1,1,0,0,0|1,0,1]=4 175 B12R0.648 C=CCCN(C)C(=O)C/C=C/CC 11a_100020639649_100016274230 [0,1,1,0,0,0|2,0,0]=4 176 B12R0.648 C=CCCN(C)C(=O)C/C=C/CC 1626a_100020639649_100016274230 [0,1,1,0,0,0|2,0,0]=4 177 B12R0.648 C=CCCN(C)C(=O)C/C=C/CC 240690a_100020639649_100016274230 [0,1,1,0,0,0|2,0,0]=4 178 B12R0.648 C=CCCN(C)C(=O)C/C=C/CC 527a_100020639649_100016274230 [0,1,1,0,0,0|2,0,0]=4 179 B12R0.648 CC/C=C\CC(=O)C(=O)NCCC 1458a_200011297150_100103147603 [0,1,1,0,0,0|1,0,1]=4 180 B12R0.112 CC/C=C\CSC(C(=O)C)C(=O)C 62a_100000210371_100103147603 [0,1,1,0,0,0|1,0,1]=4 181 B12R0.112 CC/C=C\CSC(C(=O)C)C(=O)C 62a_100103147603_100000210371 [0,1,1,0,0,0|1,0,1]=4 182 B12R1.130 CC(C)COCC1=CCCC1=O 34a_100000087531_100000210624 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.130 CC(O)COCC1=CCCC1=O 34a_100000087531_100011218427 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.130 C[C@@H](O)COCC1=CCCC1=O 34a_100000087531_100009817552 [1,1,0,0,0,0|1,0,1]=4 185 B12R1.353 CCC(C)OCC1=CCCC1=O 34a_100000087531_100011215416 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.372 C/C=C/COCC1=CCCC1=O 34a_100000087531_100102629194 [1,1,0,0,0,0|0,0,2]=4 187 B12R1.372 CC/C=C\COC1CCCC1=O 34a_100016268518_100000709159 [1,1,0,0,0,0|0,0,2]=4 188 B12R1.372 CC/C=C\COC1CCCC1=O 34a_200000719330_100103147603 [1,1,0,0,0,0|0,0,2]=4 189 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100000211823_100103147603 [1,1,0,0,0,0|0,0,2]=4 190 B12R1.372 CC/C=C\CSC1CCCC1=O 62a_100103147603_100000211823 [1,1,0,0,0,0|0,0,2]=4 191 B12R1.372 CC/C=C\CSc1c[nH]nc1C 62a_100000692133_100103147603 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.372 CC/C=C\CSc1c[nH]nc1C 62a_100103147603_100000692133 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.372 CC/C=C\CSc1ccsc1C 62a_100000684487_100103147603 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.372 CC/C=C\CSc1ccsc1C 62a_100103147603_100000684487 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.372 CC/C=C\CSc1cnoc1C 62a_100009872056_100103147603 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.372 CC/C=C\CSc1cnoc1C 62a_100103147603_100009872056 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.372 CC/C=C\CSc1cscc1C 62a_100000759966_100103147603 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.372 CC/C=C\CSc1cscc1C 62a_100103147603_100000759966 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.372 CC=CCOCC1=CCCC1=O 34a_100000087531_100000070051 [1,1,0,0,0,0|0,0,2]=4 200 B12R1.372 CCCCOCC1=CCCC1=O 34a_100000087531_100000210210 [1,1,0,0,0,0|0,0,2]=4 201 B12R1.372 COCCOCC1=CCCC1=O 34a_100000087531_100011201679 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.372 CSCCOCC1=CCCC1=O 34a_100000087531_100000212216 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.372 O=C1CCC=C1COCCCF 34a_100000087531_100011934791 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.372 O=C1CCC=C1COCCCO 34a_100000087531_100000230001 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.895 Cc1[nH][nH]c(=O)c1C=CC(C)C 271570a_100016257149_100000686169 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.895 Cc1[nH][nH]c(=O)c1C=CC(C)O 271570a_200011019289_100000686169 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.2217 CCC(=O)CN1C(=O)CCC1=O 1458a_100000186450_100000210202 [1,1,0,0,0,0|2,0,0]=4 208 B14R1.218 CC/C=C\CSc1cc(n[nH]c1=O)C 62a_100009819039_100103147603 [0,1,0,0,0,1|2,0,0]=4 209 B14R1.218 CC/C=C\CSc1cc(n[nH]c1=O)C 62a_100103147603_100009819039 [0,1,0,0,0,1|2,0,0]=4 210 B14R1.218 CC/C=C\CSc1nc(c[nH]c1=O)C 62a_100009858157_100103147603 [0,1,0,0,0,1|1,0,1]=4 211 B14R1.218 CC/C=C\CSc1nc(c[nH]c1=O)C 62a_100103147603_100009858157 [0,1,0,0,0,1|1,0,1]=4 212 B14R1.20339 CC/C=C\COc1c(occc1=O)C 34a_100000031901_100103147603 [0,1,0,0,0,1|0,0,2]=4 213 B14R1.20339 CC/C=C\CSC1C(=O)CCCC1=O 62a_100009814513_100103147603 [0,1,0,0,0,1|1,0,1]=4 214 B14R1.20339 CC/C=C\CSC1C(=O)CCCC1=O 62a_100103147603_100009814513 [0,1,0,0,0,1|1,0,1]=4 215 B14R1.20339 CC/C=C\CSc1c(nc[nH]c1=O)C 62a_100011356812_100103147603 [0,1,0,0,0,1|1,0,1]=4 216 B14R1.20339 CC/C=C\CSc1c(nc[nH]c1=O)C 62a_100103147603_100011356812 [0,1,0,0,0,1|1,0,1]=4 217 B14R1.1237 CC/C=C\CCOC1C(=O)CCC1=O 7a_100016288707_100009820769 [0,2,0,0,0,0|1,0,1]=4 218 B14R1.1237 CC/C=C\CCSC1C(=O)CCC1=O 62a_100009820769_100015370543 [0,2,0,0,0,0|1,0,1]=4 219 B14R1.1237 CC/C=C\CCSC1C(=O)CCC1=O 62a_100015370543_100009820769 [0,2,0,0,0,0|1,0,1]=4 220 B14R1.1237 CCC/C=C/COC1C(=O)CCC1=O 7a_100016278788_100009820769 [0,2,0,0,0,0|1,0,1]=4 221 B14R1.6507 CC/C=C\CSc1c(n[nH]c1C=O)C 62a_100009820796_100103147603 [0,2,0,0,0,0|2,0,0]=4 222 B14R1.6507 CC/C=C\CSc1c(n[nH]c1C=O)C 62a_100103147603_100009820796 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.5 CCC(=O)c1ccc(cc1)CC 1458a_100000211226_100000210202 [0,0,1,1,0,0|0,0,2]=4 224 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,0,1,1,0,0|0,0,2]=4 225 B12R1.7 CC/C=C\COC1CCC(=O)C1 34a_100012614533_100103147603 [0,0,1,1,0,0|1,0,1]=4 226 B12R1.30 C/C=C/CC(=O)[C@H]1CC=CCC1 1458a_100009820709_100102629194 [0,0,1,1,0,0|0,0,2]=4 227 B12R1.30 C=CCCC(=O)N1CC=CCC1 11a_100000698166_100000749702 [0,0,1,1,0,0|1,0,1]=4 228 B12R1.30 C=CCCC(=O)N1CC=CCC1 1626a_100000698166_100000749702 [0,0,1,1,0,0|1,0,1]=4 229 B12R1.30 C=CCCC(=O)N1CC=CCC1 240690a_100000698166_100000749702 [0,0,1,1,0,0|1,0,1]=4 230 B12R1.30 C=CCCC(=O)N1CC=CCC1 527a_100000698166_100000749702 [0,0,1,1,0,0|1,0,1]=4 231 B12R1.30 C=CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000754431 [0,0,1,1,0,0|0,0,2]=4 232 B12R1.30 CC=CCC(=O)N1CC=CCC1 11a_100000698166_100121576822 [0,0,1,1,0,0|1,0,1]=4 233 B12R1.30 CC=CCC(=O)N1CC=CCC1 1626a_100000698166_100121576822 [0,0,1,1,0,0|1,0,1]=4 234 B12R1.30 CC=CCC(=O)N1CC=CCC1 240690a_100000698166_100121576822 [0,0,1,1,0,0|1,0,1]=4 235 B12R1.30 CC=CCC(=O)N1CC=CCC1 527a_100000698166_100121576822 [0,0,1,1,0,0|1,0,1]=4 236 B12R1.30 CC=CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000070051 [0,0,1,1,0,0|0,0,2]=4 237 B12R1.30 CCCCC(=O)N1CC=CCC1 11a_100000698166_100000210183 [0,0,1,1,0,0|1,0,1]=4 238 B12R1.30 CCCCC(=O)N1CC=CCC1 1626a_100000698166_100000210183 [0,0,1,1,0,0|1,0,1]=4 239 B12R1.30 CCCCC(=O)N1CC=CCC1 240690a_100000698166_100000210183 [0,0,1,1,0,0|1,0,1]=4 240 B12R1.30 CCCCC(=O)N1CC=CCC1 527a_100000698166_100000210183 [0,0,1,1,0,0|1,0,1]=4 241 B12R1.30 CCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210211 [0,0,1,1,0,0|0,0,2]=4 242 B12R1.30 COCCC(=O)N1CC=CCC1 11a_100000698166_100000749529 [0,0,1,1,0,0|2,0,0]=4 243 B12R1.30 COCCC(=O)N1CC=CCC1 1626a_100000698166_100000749529 [0,0,1,1,0,0|2,0,0]=4 244 B12R1.30 COCCC(=O)N1CC=CCC1 240690a_100000698166_100000749529 [0,0,1,1,0,0|2,0,0]=4 245 B12R1.30 COCCC(=O)N1CC=CCC1 527a_100000698166_100000749529 [0,0,1,1,0,0|2,0,0]=4 246 B12R1.30 COCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000233755 [0,0,1,1,0,0|1,0,1]=4 247 B12R1.30 CSCCC(=O)N1CC=CCC1 11a_100000698166_100000174002 [0,0,1,1,0,0|2,0,0]=4 248 B12R1.30 CSCCC(=O)N1CC=CCC1 1626a_100000698166_100000174002 [0,0,1,1,0,0|2,0,0]=4 249 B12R1.30 CSCCC(=O)N1CC=CCC1 240690a_100000698166_100000174002 [0,0,1,1,0,0|2,0,0]=4 250 B12R1.30 CSCCC(=O)N1CC=CCC1 527a_100000698166_100000174002 [0,0,1,1,0,0|2,0,0]=4 251 B12R1.30 CSCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000751147 [0,0,1,1,0,0|1,0,1]=4 252 B12R1.53 C/C=C/CC(=O)CC1C=CCC1 1458a_100000212241_100102629194 [0,0,1,1,0,0|0,0,2]=4 253 B12R1.53 C=CCCC(=O)CC1C=CCC1 1458a_100000212241_100000754431 [0,0,1,1,0,0|0,0,2]=4 254 B12R1.53 CC=CCC(=O)CC1C=CCC1 1458a_100000212241_100000070051 [0,0,1,1,0,0|0,0,2]=4 255 B12R1.53 CCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210211 [0,0,1,1,0,0|0,0,2]=4 256 B12R1.53 COCCC(=O)CC1C=CCC1 1458a_100000212241_100000233755 [0,0,1,1,0,0|1,0,1]=4 257 B12R1.53 CSCCC(=O)CC1C=CCC1 1458a_100000212241_100000751147 [0,0,1,1,0,0|1,0,1]=4 258 B12R1.561 CC/C=C\CCC(=O)C1CCC1 1458a_100000209988_100015370543 [0,0,1,1,0,0|0,0,2]=4 259 B12R1.561 CC/C=C\CCC(=O)C1COC1 1458a_100000758290_100015370543 [0,0,1,1,0,0|1,0,1]=4 260 B12R1.563 CC/C=C\CCC(=O)CC1CC1 1458a_100000738066_100015370543 [0,0,1,1,0,0|0,0,2]=4 261 B12R1.2563 CC/C=C\CCC(=O)C1CC1C 1458a_100000211227_100015370543 [0,0,1,1,0,0|0,0,2]=4 262 B12R2.466 O=C1CCC=C1COC2CC2 34a_100000087531_100000211595 [1,0,0,1,0,0|1,0,1]=4 263 B14R2.277 O=C1CCC(=O)C1N2CC=CCC2 2230a_100000698166_100009820769 [0,1,0,1,0,0|1,0,1]=4 264 B14R2.277 O=C1CCC(=O)C1N2CC=CCC2 269982a_100000698166_200134615298 [0,1,0,1,0,0|1,0,1]=4 265 B14R2.6412 CCOc1ccc2c(c1)CCC2=O 34a_100000708912_100000210202 [0,1,0,1,0,0|0,0,2]=4 266 B14R2.6412 CCOc1ccc2c(c1)CCC2=O 7a_100000708912_100000210202 [0,1,0,1,0,0|0,0,2]=4 267 B14R2.6412 CCSc1ccc2c(c1)CCC2=O 62a_100000210202_100000737041 [0,1,0,1,0,0|0,0,2]=4 268 B14R2.6412 CCSc1ccc2c(c1)CCC2=O 62a_100000737041_100000210202 [0,1,0,1,0,0|0,0,2]=4 269 B14R2.1802 CSc1ccc2c(c1C)CCC2=O 62a_100010133460_200000210301 [0,1,0,1,0,0|1,0,1]=4 270 B14R2.1802 CSc1ccc2c(c1C)CCC2=O 62a_200000210301_100010133460 [0,1,0,1,0,0|1,0,1]=4 271 B14R2.1802 Cc1c(ccc2c1CCC2=O)S[13CH3] 62a_100010133460_200025704644 [0,1,0,1,0,0|1,0,1]=4 272 B14R2.1802 Cc1c(ccc2c1CCC2=O)S[13CH3] 62a_200025704644_100010133460 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.37 CC/C=C\CN1CCC1C 269982a_100000755817_100103147603 [1,0,0,0,1,0|1,0,1]=4 274 B10R1.37 CC/C=C\CN1CCC1C 34a_100000755817_100103147603 [1,0,0,0,1,0|1,0,1]=4