0 B11R1.230 CC1CC(C(=O)O1)NCCF 34a_100000724931_200000216747 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.230 CC1CC(C(=O)O1)OCCBr 34a_100000211926_200000216747 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.230 CC1CC(C(=O)O1)OCCN 34a_100000210304_200000216747 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_100011217306_200000216747 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_200000216747_100011217306 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [0,0,0,0,0,0|2,0,2]=4 8 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.230 CCCCc1cc(nn1C)C 271570a_100020621405_100009818511 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.230 CCCCc1cc(sc1C)C 271570a_100020621405_100000688054 [0,0,0,0,0,0|1,1,1]=3 11 B11R1.230 CCCCc1cc(sc1Cl)Cl 271570a_100020621405_100010244177 [0,0,0,0,0,0|2,1,1]=4 12 B11R1.230 CCCCc1cn(nc1C)C 271570a_100020621405_100011996311 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.230 CCCCc1cn(nc1N)C 271570a_100020621405_100010776223 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.230 CCCCc1nc(sc1C)C 271570a_100020621405_100010270876 [0,0,0,0,0,0|2,1,1]=4 15 B11R1.230 CCCCc1nn(cc1C)C 271570a_100020621405_100012644376 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.230 CCCCc1nn(nc1C)C 271570a_100020621405_200009884731 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.230 CCCCc1sc(cc1C)C 271570a_100020621405_100000689295 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.230 CCCCc1sc(nc1C)C 271570a_100020621405_100009814099 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,0,0,0,0,0|1,0,2]=3 21 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,0,0,0,0,0|1,0,2]=3 22 B11R1.230 CCCSc1cc(sc1C)C 62a_100000210303_100000688054 [0,0,0,0,0,0|2,1,1]=4 23 B11R1.230 CCCSc1cc(sc1C)C 62a_100000688054_100000210303 [0,0,0,0,0,0|2,1,1]=4 24 B11R1.230 CCCSc1cn(nc1C)C 62a_100000210303_100011996311 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.230 CCCSc1cn(nc1C)C 62a_100011996311_100000210303 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.230 CCCSc1cn(nc1N)C 62a_100000210303_100010776223 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.230 CCCSc1cn(nc1N)C 62a_100010776223_100000210303 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.230 CCNCc1cc(sc1C)C 207a_100015525214_100000745318 [0,0,0,0,0,0|2,1,1]=4 29 B11R1.230 CCNCc1cc(sc1C)C 270004a_100015525214_100000745318 [0,0,0,0,0,0|2,1,1]=4 30 B11R1.230 CCNCc1cn(nc1C)C 207a_100015525214_100000745535 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.230 CCNCc1cn(nc1C)C 2230a_100015525214_100015186178 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.230 CCNCc1cn(nc1C)C 270004a_100015525214_100000745535 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.230 CCNCc1cn(nc1C)C 34a_100000700070_100000210202 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.230 CCOCc1cc(oc1C)C 34a_100000688432_100000210202 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.230 CCOCc1cc(oc1C)C 7a_100000688432_100000210202 [0,0,0,0,0,0|2,0,1]=3 36 B11R1.230 CCOCc1cn(nc1C)C 34a_100121572206_100015186178 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.230 CCOCc1nc(oc1C)C 34a_100000068805_100000210202 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.230 CCOCc1nc(oc1C)C 7a_100000068805_100000210202 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.230 CCSCc1cn(nc1C)C 62a_100000210202_100015186178 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.230 CCSCc1cn(nc1C)C 62a_100015186178_100000210202 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.230 COCSC1CC(OC1=O)C 62a_100000766300_200000216747 [0,0,0,0,0,0|2,0,2]=4 42 B11R1.230 COCSC1CC(OC1=O)C 62a_200000216747_100000766300 [0,0,0,0,0,0|2,0,2]=4 43 B11R1.230 CSCSC1CC(OC1=O)C 62a_100011218213_200000216747 [0,0,0,0,0,0|2,0,2]=4 44 B11R1.230 CSCSC1CC(OC1=O)C 62a_200000216747_100011218213 [0,0,0,0,0,0|2,0,2]=4 45 B11R1.230 Cc1cc(c(o1)C)COCF 34a_100000688432_100015361967 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.230 Cc1cc(c(o1)C)COCF 7a_100000688432_100015361967 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [1,0,0,0,0,0|2,0,1]=4 49 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [1,0,0,0,0,0|2,0,1]=4 51 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.16 CCCCc1ccn(n1)C 271570a_100020621405_100000752436 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.16 CCCCc1cn(cn1)C 271570a_100020621405_100000040308 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.16 CCCCc1cn(nn1)C 271570a_100020621405_100000760339 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.16 CCCCc1cn(nn1)C 274090a_200000210301_100000039217 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.16 CCCCc1cn(nn1)[13CH3] 274090a_200025704644_100000039217 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [1,0,0,0,0,0|2,0,1]=4 58 B10R1.16 CCCCc1cnn(c1)C 271570a_100020621405_100000748075 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.16 CCCCc1cnn(n1)C 271570a_100020621405_100000733932 [1,0,0,0,0,0|3,0,0]=4 60 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [1,0,0,0,0,0|0,1,1]=3 61 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [1,0,0,0,0,0|1,1,1]=4 62 B10R1.16 CCCCc1noc(n1)C 270196a_100011193411_100000070787 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.16 CCCCc1noc(n1)C 271570a_100020621405_100012003639 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.16 CCCOc1cnn(c1)C 34a_100000707646_100000210303 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.16 CCCSc1cc(on1)C 62a_100000210303_100000716708 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.16 CCCSc1cc(on1)C 62a_100000716708_100000210303 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.16 CCCSc1cnn(c1)C 62a_100000210303_100000745744 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.16 CCCSc1cnn(c1)C 62a_100000745744_100000210303 [1,0,0,0,0,0|3,0,0]=4 69 B10R1.16 CCCSc1csc(c1)C 62a_100000210303_100000759034 [1,0,0,0,0,0|1,1,1]=4 70 B10R1.16 CCCSc1csc(c1)C 62a_100000759034_100000210303 [1,0,0,0,0,0|1,1,1]=4 71 B10R1.16 CCNCc1cc(on1)C 207a_100015525214_100011217994 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.16 CCNCc1cc(on1)C 2230a_100000745230_100000210202 [1,0,0,0,0,0|2,0,1]=4 73 B10R1.16 CCNCc1cc(on1)C 2230a_100015525214_100000199038 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.16 CCNCc1cc(on1)C 270004a_100015525214_100011217994 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.16 CCNCc1cc(on1)C 34a_100000745230_100000210202 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.16 CCNCc1cnn(c1)C 207a_100015525214_100000206001 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.16 CCNCc1cnn(c1)C 2230a_100015525214_100000744441 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.16 CCNCc1cnn(c1)C 270004a_100015525214_100000206001 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.16 CCNCc1cnn(c1)C 34a_100000744365_100000210202 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.16 CCNCc1coc(n1)C 207a_100015525214_100011361629 [1,0,0,0,0,0|2,0,1]=4 81 B10R1.16 CCNCc1coc(n1)C 270004a_100015525214_100011361629 [1,0,0,0,0,0|2,0,1]=4 82 B10R1.16 CCNCc1csc(c1)C 207a_100015525214_100011998532 [1,0,0,0,0,0|1,1,1]=4 83 B10R1.16 CCNCc1csc(c1)C 270004a_100015525214_100011998532 [1,0,0,0,0,0|1,1,1]=4 84 B10R1.16 CCOCc1cc(on1)C 34a_100011216401_100000210202 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.16 CCOCc1cc(on1)C 34a_100121572206_100000199038 [1,0,0,0,0,0|2,0,1]=4 86 B10R1.16 CCOCc1cnn(c1)C 34a_100000239500_100000210202 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.16 CCOCc1cnn(c1)C 34a_100121572206_100000744441 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.16 CCOCc1coc(n1)C 34a_100012017233_100000210202 [1,0,0,0,0,0|2,0,1]=4 89 B10R1.16 CCSCc1cc(on1)C 62a_100000199038_100000210202 [1,0,0,0,0,0|2,0,1]=4 90 B10R1.16 CCSCc1cc(on1)C 62a_100000210202_100000199038 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.16 CCSCc1cnn(c1)C 62a_100000210202_100000744441 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.16 CCSCc1cnn(c1)C 62a_100000744441_100000210202 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.16 COCCc1cnn(c1)C 34a_200000756233_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.16 Cn1cc(cn1)CCO[13CH3] 34a_200000756233_200025704644 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.29 CCCCc1c[nH]nc1Br 271570a_100020621405_100011012988 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.29 CCCCc1c[nH]nc1C 271570a_100020621405_100011912673 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.29 CCCCc1c[nH]nc1F 271570a_100020621405_100015597042 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.29 CCCCc1c[nH]nc1N 271570a_100020621405_100000717100 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [1,0,0,0,0,0|1,1,1]=4 100 B10R1.29 CCCCc1ccsc1O 271570a_203496583355_100010071534 [1,0,0,0,0,0|0,1,2]=4 101 B10R1.29 CCCCc1cnoc1C 271570a_100020621405_100009872056 [1,0,0,0,0,0|2,0,0]=3 102 B10R1.29 CCCCc1conc1N 271570a_100020621405_100012597345 [1,0,0,0,0,0|3,0,0]=4 103 B10R1.29 CCCCc1cscc1Br 271570a_100020621405_100010143727 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [1,0,0,0,0,0|3,0,0]=4 105 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,0,0,0|1,0,2]=4 106 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,0,0,0|1,0,2]=4 107 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,0,0,0|1,0,2]=4 108 B10R1.29 CCCSc1cnoc1C 62a_100000210303_100009872056 [1,0,0,0,0,0|3,0,0]=4 109 B10R1.29 CCCSc1cnoc1C 62a_100009872056_100000210303 [1,0,0,0,0,0|3,0,0]=4 110 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [1,0,0,0,0,0|2,0,0]=3 111 B10R1.29 CCOCc1ccoc1C 34a_100011219433_100000210202 [1,0,0,0,0,0|2,0,1]=4 112 B10R1.29 CCOCc1ccoc1C 7a_100011219433_100000210202 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.29 O=C1CCC=C1COCF 34a_100000087531_100015361967 [1,0,0,0,0,0|3,0,0]=4 114 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,0,0,0,0,0|1,0,2]=4 115 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [1,0,0,0,0,0|1,0,2]=4 116 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [1,0,0,0,0,0|1,0,2]=4 117 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [1,0,0,0,0,0|1,0,2]=4 118 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [1,0,0,0,0,0|2,0,1]=4 121 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B12R1.313 CCCC(=O)C1CC(OC1=O)C 1458a_100000211992_200000216747 [0,1,0,0,0,0|0,0,3]=4 123 B12R1.313 CCCN(C)C1CC(OC1=O)C 2230a_100000747261_200000216747 [0,1,0,0,0,0|1,0,2]=4 124 B12R1.313 CCCN(C)C1CC(OC1=O)C 269982a_100000747261_200000216747 [0,1,0,0,0,0|1,0,2]=4 125 B12R1.313 CCNC(C)c1cc(oc1C)C 269862a_100015525214_100000211562 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.376 CCCCc1cc(sc1C=O)C 271570a_100020621405_100011361552 [0,1,0,0,0,0|0,1,1]=3 127 B12R1.376 CCCCc1cn(nc1C#N)C 271570a_100020621405_100009817404 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.376 CCCCc1cn(nc1CC)C 271570a_100020621405_100012396458 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.376 CCCCc1cn(nc1CO)C 271570a_100020621405_100009816719 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.376 CCCCc1cn(nc1OC)C 271570a_100020621405_100015475556 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.376 CCCSc1cc(sc1C=O)C 62a_100000210303_100011361552 [0,1,0,0,0,0|1,1,1]=4 132 B12R1.376 CCCSc1cc(sc1C=O)C 62a_100011361552_100000210303 [0,1,0,0,0,0|1,1,1]=4 133 B12R1.376 CCCSc1cn(nc1C=O)C 62a_100000210303_100009813915 [0,1,0,0,0,0|3,0,0]=4 134 B12R1.376 CCCSc1cn(nc1C=O)C 62a_100009813915_100000210303 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.378 CCCCc1cc(sc1C)CO 271570a_100020621405_100013897464 [0,1,0,0,0,0|1,1,1]=4 136 B12R1.456 CC1CC(C(=O)O1)NCCCF 2230a_100015189416_200000216747 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.456 CC1CC(C(=O)O1)NCCCF 34a_100015189416_200000216747 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.456 CC1CC(C(=O)O1)OCCCBr 34a_100011217188_200000216747 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.456 CC1CC(C(=O)O1)OCCCCl 34a_100000230001_200000216747 [0,1,0,0,0,0|1,0,2]=4 140 B12R1.456 CC1CC(C(=O)O1)OCCCF 34a_100000759539_200000216747 [0,1,0,0,0,0|1,0,2]=4 141 B12R1.456 CC1CC(C(=O)O1)OCCCN 34a_100000182051_200000216747 [0,1,0,0,0,0|1,0,2]=4 142 B12R1.456 CC1CC(C(=O)O1)SCCCF 62a_100011934791_200000216747 [0,1,0,0,0,0|1,0,2]=4 143 B12R1.456 CC1CC(C(=O)O1)SCCCF 62a_200000216747_100011934791 [0,1,0,0,0,0|1,0,2]=4 144 B12R1.456 CC1CC(C(=O)O1)SCCCO 62a_100011215043_200000216747 [0,1,0,0,0,0|1,0,2]=4 145 B12R1.456 CC1CC(C(=O)O1)SCCCO 62a_200000216747_100011215043 [0,1,0,0,0,0|1,0,2]=4 146 B12R1.456 CCCCNC1CC(OC1=O)C 2230a_100000102301_200000216747 [0,1,0,0,0,0|0,0,2]=3 147 B12R1.456 CCCCNC1CC(OC1=O)C 7a_106832991798_200000216747 [0,1,0,0,0,0|0,0,2]=3 148 B12R1.456 CCCCOC1CC(OC1=O)C 34a_100000210227_200000216747 [0,1,0,0,0,0|0,0,2]=3 149 B12R1.456 CCCCOC1CC(OC1=O)C 7a_100000210227_200000216747 [0,1,0,0,0,0|0,0,2]=3 150 B12R1.456 CCCCSC1CC(OC1=O)C 62a_100000210211_200000216747 [0,1,0,0,0,0|0,0,2]=3 151 B12R1.456 CCCCSC1CC(OC1=O)C 62a_200000216747_100000210210 [0,1,0,0,0,0|0,0,2]=3 152 B12R1.456 CCCCSc1cc(sc1C)C 62a_100000210211_100000688054 [0,1,0,0,0,0|1,1,1]=4 153 B12R1.456 CCCCSc1cc(sc1C)C 62a_100000688054_100000210210 [0,1,0,0,0,0|1,1,1]=4 154 B12R1.456 CCCCSc1cn(nc1C)C 62a_100000210211_100011996311 [0,1,0,0,0,0|3,0,0]=4 155 B12R1.456 CCCCSc1cn(nc1C)C 62a_100011996311_100000210210 [0,1,0,0,0,0|3,0,0]=4 156 B12R1.456 CCCCSc1cn(nc1N)C 62a_100000210211_100010776223 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.456 CCCCSc1cn(nc1N)C 62a_100010776223_100000210210 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.456 CCCNCc1cc(sc1C)C 207a_100020643023_100000745318 [0,1,0,0,0,0|1,1,1]=4 159 B12R1.456 CCCNCc1cc(sc1C)C 270004a_100020643023_100000745318 [0,1,0,0,0,0|1,1,1]=4 160 B12R1.456 CCCNCc1cn(nc1C)C 207a_100020643023_100000745535 [0,1,0,0,0,0|3,0,0]=4 161 B12R1.456 CCCNCc1cn(nc1C)C 270004a_100020643023_100000745535 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.456 CCCNCc1cn(nc1C)C 34a_100000700070_100000210303 [0,1,0,0,0,0|3,0,0]=4 163 B12R1.456 CCCOCc1cc(oc1C)C 34a_100000688432_100000210303 [0,1,0,0,0,0|1,0,1]=3 164 B12R1.456 CCCOCc1cc(oc1C)C 7a_100000688432_100000210303 [0,1,0,0,0,0|1,0,1]=3 165 B12R1.456 CCCOCc1cn(nc1C)C 34a_100000210258_100015186178 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.456 CCCOCc1nc(oc1C)C 34a_100000068805_100000210303 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.456 CCCOCc1nc(oc1C)C 7a_100000068805_100000210303 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.456 CCCSCc1cn(nc1C)C 62a_100000210303_100015186178 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.456 CCCSCc1cn(nc1C)C 62a_100015186178_100000210303 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.456 CCOCSC1CC(OC1=O)C 62a_100000739092_200000216747 [0,1,0,0,0,0|1,0,2]=4 171 B12R1.456 CCOCSC1CC(OC1=O)C 62a_200000216747_100000739092 [0,1,0,0,0,0|1,0,2]=4 172 B12R1.456 COCCNC1CC(OC1=O)C 2230a_100000209980_200000216747 [0,1,0,0,0,0|1,0,2]=4 173 B12R1.456 COCCOC1CC(OC1=O)C 34a_100000210237_200000216747 [0,1,0,0,0,0|1,0,2]=4 174 B12R1.456 COCCSC1CC(OC1=O)C 62a_100000233755_200000216747 [0,1,0,0,0,0|1,0,2]=4 175 B12R1.456 COCCSC1CC(OC1=O)C 62a_200000216747_100000233755 [0,1,0,0,0,0|1,0,2]=4 176 B12R1.456 CSCCNC1CC(OC1=O)C 2230a_100020590264_200000216747 [0,1,0,0,0,0|1,0,2]=4 177 B12R1.456 CSCCOC1CC(OC1=O)C 34a_100000230434_200000216747 [0,1,0,0,0,0|1,0,2]=4 178 B12R1.456 CSCCOC1CC(OC1=O)C 7a_100000230434_200000216747 [0,1,0,0,0,0|1,0,2]=4 179 B12R1.456 CSCCSC1CC(OC1=O)C 62a_100000212216_200000216747 [0,1,0,0,0,0|1,0,2]=4 180 B12R1.456 CSCCSC1CC(OC1=O)C 62a_200000216747_100000751147 [0,1,0,0,0,0|1,0,2]=4 181 B12R1.456 CSCOCc1cc(oc1C)C 34a_100000688432_100011218213 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.456 Cc1cc(c(o1)C)COCCF 34a_100000688432_100011217306 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.456 Cc1cc(c(o1)C)COCCF 7a_100000688432_100011217306 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.456 Cc1cc(c(o1)C)COCCO 34a_100000688432_100000211926 [0,1,0,0,0,0|2,0,1]=4 185 B12R1.456 Cc1cc(c(o1)C)COCCO 7a_100000688432_100000211926 [0,1,0,0,0,0|2,0,1]=4 186 B12R1.532 CC(CN1CC(OC1=O)C)O[13CH3] 34a_200000003947_200025704644 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.532 CCC(C)NC1CC(OC1=O)C 2230a_100000209981_200000216747 [0,1,0,0,0,0|1,0,2]=4 188 B12R1.532 CCC(C)OC1CC(OC1=O)C 7a_100000210228_200000216747 [0,1,0,0,0,0|1,0,2]=4 189 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_100000758301_200000216747 [0,1,0,0,0,0|1,0,2]=4 190 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_200000216747_100000758301 [0,1,0,0,0,0|1,0,2]=4 191 B12R1.532 COC(C)CN1CC(OC1=O)C 34a_200000003947_200000210301 [0,1,0,0,0,0|2,0,1]=4 192 B12R1.861 CC(Br)COC1CC(OC1=O)C 34a_100012180447_200000216747 [0,1,0,0,0,0|1,0,2]=4 193 B12R1.861 CC(C)CNC1CC(OC1=O)C 2230a_100000210953_200000216747 [0,1,0,0,0,0|1,0,2]=4 194 B12R1.861 CC(C)CNC1CC(OC1=O)C 34a_100000210953_200000216747 [0,1,0,0,0,0|1,0,2]=4 195 B12R1.861 CC(C)COC1CC(OC1=O)C 34a_100000210257_200000216747 [0,1,0,0,0,0|1,0,2]=4 196 B12R1.861 CC(C)CSC1CC(OC1=O)C 62a_100000210624_200000216747 [0,1,0,0,0,0|1,0,2]=4 197 B12R1.861 CC(C)CSC1CC(OC1=O)C 62a_200000216747_100000210760 [0,1,0,0,0,0|1,0,2]=4 198 B12R1.861 CC(F)COC1CC(OC1=O)C 34a_100015925927_200000216747 [0,1,0,0,0,0|1,0,2]=4 199 B12R1.861 CC(O)CNC1CC(OC1=O)C 2230a_100000210904_200000216747 [0,1,0,0,0,0|1,0,2]=4 200 B12R1.861 CC(O)CNC1CC(OC1=O)C 34a_100000210904_200000216747 [0,1,0,0,0,0|1,0,2]=4 201 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_100011218427_200000216747 [0,1,0,0,0,0|1,0,2]=4 202 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_200000216747_100011218427 [0,1,0,0,0,0|1,0,2]=4 203 B12R1.861 CC1CC(C(=O)O1)OC[C@@H](C)Cl 34a_100016084084_200000216747 [0,1,0,0,0,0|1,0,2]=4 204 B12R1.861 CC1CC(C(=O)O1)OC[C@@H](C)N 34a_100000737577_200000216747 [0,1,0,0,0,0|1,0,2]=4 205 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_100009817552_200000216747 [0,1,0,0,0,0|1,0,2]=4 206 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_200000216747_100009817552 [0,1,0,0,0,0|1,0,2]=4 207 B12R1.861 Cc1cc(c(o1)C)COC(C)C 34a_100000688432_100000210206 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.861 Cc1cc(c(o1)C)COC(C)C 7a_100000688432_100000210206 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.1624 CCCCc1c(nn(c1C)C)C 271570a_100020621405_100000239273 [0,1,0,0,0,0|3,0,0]=4 210 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,0,1,0,0,0|1,0,2]=4 211 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,0,1,0,0,0|1,0,2]=4 212 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,0,1,0,0,0|1,0,2]=4 213 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,0,1,0,0,0|2,0,1]=4 214 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,0,1,0,0,0|1,0,2]=4 215 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,0,1,0,0,0|1,0,2]=4 216 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,0,1,0,0,0|1,0,2]=4 217 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,0,1,0,0,0|1,0,2]=4 218 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,0,1,0,0,0|1,0,2]=4 219 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,0,1,0,0,0|2,0,1]=4 220 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,0,1,0,0,0|2,0,1]=4 221 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,0,1,0,0,0|1,0,2]=4 222 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,0,1,0,0,0|1,0,2]=4 223 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,0,1,0,0,0|1,0,2]=4 224 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,0,1,0,0,0|1,0,2]=4 225 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,0,1,0,0,0|2,0,1]=4 226 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,0,1,0,0,0|2,0,1]=4 227 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,0,1,0,0,0|2,0,1]=4 228 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,0,1,0,0,0|2,0,1]=4 229 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,0,1,0,0,0|3,0,0]=4 230 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,0,1,0,0,0|2,0,1]=4 231 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,0,1,0,0,0|2,0,1]=4 232 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,0,1,0,0,0|2,0,1]=4 233 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,0,1,0,0,0|2,0,1]=4 234 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,0,1,0,0,0|2,0,1]=4 235 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,0,1,0,0,0|1,0,2]=4 236 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,0,1,0,0,0|1,0,2]=4 237 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,0,1,0,0,0|1,0,2]=4 238 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,0,1,0,0,0|1,0,2]=4 239 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,0,1,0,0,0|1,0,2]=4 240 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,0,1,0,0,0|1,0,2]=4 241 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,0,1,0,0,0|2,0,1]=4 242 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,0,1,0,0,0|2,0,1]=4 243 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,0,1,0,0,0|1,0,0]=2 244 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,0,1,0,0,0|1,0,0]=2 245 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,0,1,0,0,0|1,0,0]=2 246 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100000755967_100015361967 [0,0,1,0,0,0|2,0,0]=3 247 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100015361967_100000755967 [0,0,1,0,0,0|2,0,0]=3 248 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,0,1,0,0,0|3,0,0]=4 249 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,0,1,0,0,0|1,0,2]=4 250 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,0,1,0,0,0|1,0,2]=4 251 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,0,1,0,0,0|1,0,2]=4 252 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,0,1,0,0,0|2,0,0]=3 253 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,0,1,0,0,0|2,0,1]=4 254 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,0,1,0,0,0|1,0,2]=4 255 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,0,1,0,0,0|1,0,2]=4 256 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,0,1,0,0,0|1,0,2]=4 257 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,0,1,0,0,0|1,0,2]=4 258 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,0,1,0,0,0|1,0,2]=4 259 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,0,1,0,0,0|2,0,1]=4 260 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,0,1,0,0,0|2,0,1]=4 261 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,0,1,0,0,0|2,0,1]=4 262 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,0,1,0,0,0|2,0,1]=4 263 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,0,1,0,0,0|2,0,1]=4 264 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,0,1,0,0,0|2,0,1]=4 265 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,0,1,0,0,0|2,0,1]=4 266 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,0,1,0,0,0|2,0,1]=4 267 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,0,1,0,0,0|2,0,1]=4 268 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,0,1,0,0,0|3,0,0]=4 269 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,0,1,0,0,0|3,0,0]=4 270 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,0,1,0,0,0|3,0,0]=4 271 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,0,1,0,0,0|3,0,0]=4 272 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,0,1,0,0,0|3,0,0]=4 273 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,0,1,0,0,0|3,0,0]=4 274 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,0,1,0,0,0|2,0,0]=3 275 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,0,1,0,0,0|2,0,0]=3 276 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,0,1,0,0,0|2,0,0]=3 277 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,0,1,0,0,0|1,0,2]=4 278 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,0,1,0,0,0|2,0,1]=4 279 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,0,1,0,0,0|1,0,2]=4 280 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,0,1,0,0,0|1,0,2]=4 281 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,0,1,0,0,0|1,0,2]=4 282 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,0,1,0,0,0|2,0,1]=4 283 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,0,1,0,0,0|2,0,1]=4 284 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,0,1,0,0,0|3,0,0]=4 285 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,0,1,0,0,0|3,0,0]=4 286 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,0,1,0,0,0|3,0,0]=4 287 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,0,1,0,0,0|3,0,0]=4 288 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,0,1,0,0,0|2,0,1]=4 289 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,0,1,0,0,0|2,0,0]=3 290 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,0,1,0,0,0|2,0,0]=3 291 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,0,1,0,0,0|3,0,0]=4 292 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,0,1,0,0,0|3,0,0]=4 293 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,0,1,0,0,0|3,0,0]=4 294 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,0,1,0,0,0|3,0,0]=4 295 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,0,1,0,0,0|3,0,0]=4 296 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,0,1,0,0,0|3,0,0]=4 297 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,0,1,0,0,0|1,0,2]=4 298 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,0,1,0,0,0|2,0,1]=4 299 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,0,1,0,0,0|2,0,1]=4 300 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,0,1,0,0,0|2,0,1]=4 301 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,0,1,0,0,0|2,0,1]=4 302 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,0,1,0,0,0|2,0,1]=4 303 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,0,1,0,0,0|2,0,1]=4 304 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,0,1,0,0,0|2,0,1]=4 305 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,0,1,0,0,0|2,0,1]=4 306 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,0,1,0,0,0|2,0,1]=4 307 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,0,1,0,0,0|2,0,1]=4 308 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,0,1,0,0,0|1,0,2]=4 309 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,0,1,0,0,0|2,0,1]=4 310 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,0,1,0,0,0|2,0,1]=4 311 B12R2.993 CC1CC(C(=O)O1)N2CCC2 269982a_100000754969_200000216747 [0,0,0,1,0,0|1,0,2]=4 312 B12R2.2310 CC1CC(C(=O)O1)NC2CC2 34a_100000212008_200000216747 [0,0,0,1,0,0|1,0,2]=4 313 B12R2.2310 CC1CC(C(=O)O1)SC2CC2 62a_200000216747_100000211595 [0,0,0,1,0,0|1,0,2]=4 314 B12R1.69 CCCCc1ccc(cc1Br)C 271570a_100020621405_100009813563 [0,0,0,0,0,1|2,0,1]=4 315 B12R1.69 CCCCc1ccc(cc1C)C 271570a_100020621405_100011217332 [0,0,0,0,0,1|2,0,1]=4 316 B12R1.69 CCCCc1ccc(cc1Cl)C 271570a_100020621405_100011263221 [0,0,0,0,0,1|2,0,1]=4 317 B12R1.69 CCCCc1ccc(cc1F)C 271570a_100020621405_100011216119 [0,0,0,0,0,1|2,0,1]=4 318 B12R1.69 CCCCc1ccc(cc1N)C 271570a_100020621405_100011216686 [0,0,0,0,0,1|2,0,1]=4 319 B12R1.69 CCCCc1ccc(cc1O)C 271570a_100020621405_100012002257 [0,0,0,0,0,1|1,0,2]=4 320 B12R1.69 CCCCc1ccc(nc1C)C 271570a_100020621405_100009813853 [0,0,0,0,0,1|2,0,1]=4 321 B12R1.69 CCCCc1ccc(nc1F)C 271570a_100020621405_100010006597 [0,0,0,0,0,1|2,0,1]=4 322 B12R1.69 CCCCc1ccc(nc1N)C 271570a_100020621405_100009816662 [0,0,0,0,0,1|2,0,1]=4 323 B12R1.69 CCCCc1ccc(nc1O)C 271570a_100020621405_100009817604 [0,0,0,0,0,1|1,0,2]=4 324 B12R1.69 CCCCc1cnc([nH]c1=O)C 271570a_100020621405_100011999157 [0,0,0,0,0,1|1,0,1]=3 325 B12R1.69 CCCCc1cnc([nH]c1=O)N 271570a_100020621405_100012456729 [0,0,0,0,0,1|2,0,1]=4 326 B12R1.69 CCCCc1cnc([nH]c1=O)O 271570a_100020621405_100011215686 [0,0,0,0,0,1|2,0,1]=4 327 B12R1.69 CCCCc1cnc(cc1C)C 271570a_100020621405_100009819613 [0,0,0,0,0,1|2,0,1]=4 328 B12R1.69 CCCCc1cnc(cc1N)C 271570a_100020621405_100009817891 [0,0,0,0,0,1|2,0,1]=4 329 B12R1.69 CCCCc1cnc(cc1O)C 271570a_100020621405_100011016184 [0,0,0,0,0,1|1,0,2]=4 330 B12R1.69 CCCCc1cnc(nc1N)C 271570a_100020621405_100000684960 [0,0,0,0,0,1|2,0,1]=4 331 B12R1.69 CCCCc1ncc(cc1C)C 271570a_100020621405_100009864548 [0,0,0,0,0,1|2,0,1]=4 332 B12R1.69 CCCCc1ncc(cc1F)C 271570a_100020621405_100009819633 [0,0,0,0,0,1|2,0,1]=4 333 B12R1.69 CCCCc1ncc(cc1N)C 271570a_100020621405_100000733613 [0,0,0,0,0,1|2,0,1]=4 334 B12R1.69 CCCCc1ncc(cc1O)C 271570a_100020621405_100012000487 [0,0,0,0,0,1|1,0,2]=4 335 B12R1.69 CCCCc1ncc(nc1C)C 271570a_100020621405_100000065684 [0,0,0,0,0,1|2,0,1]=4 336 B12R1.69 CCCOc1coc(cc1=O)C 34a_100000081520_100000210303 [0,0,0,0,0,1|2,0,1]=4 337 B12R1.69 CCCSc1cnc([nH]c1=O)C 62a_100000210303_100011999157 [0,0,0,0,0,1|2,0,1]=4 338 B12R1.69 CCCSc1cnc([nH]c1=O)C 62a_100011999157_100000210303 [0,0,0,0,0,1|2,0,1]=4 339 B12R1.100 CCCCc1cc(=O)[nH]c(=O)[nH]1 271570a_100020621405_100000015670 [0,0,0,0,0,1|2,0,1]=4 340 B12R1.100 CCCCc1cc([nH]c(=O)c1)C 271570a_100020621405_100009861981 [0,0,0,0,0,1|1,0,1]=3 341 B12R1.100 CCCCc1cc(cc(c1)C)C 271570a_100020621405_100011215608 [0,0,0,0,0,1|2,0,1]=4 342 B12R1.100 CCCCc1cc(cc(c1)Cl)C 271570a_100020621405_100010172791 [0,0,0,0,0,1|2,0,1]=4 343 B12R1.100 CCCCc1cc(cc(c1)F)C 271570a_100020621405_100011356977 [0,0,0,0,0,1|2,0,1]=4 344 B12R1.100 CCCCc1cc(cc(c1)N)C 271570a_100020621405_100000695972 [0,0,0,0,0,1|2,0,1]=4 345 B12R1.100 CCCCc1cc(cc(c1)O)C 271570a_100020621405_100011999630 [0,0,0,0,0,1|1,0,2]=4 346 B12R1.100 CCCCc1cc(cc(n1)C)C 271570a_100020621405_100000069240 [0,0,0,0,0,1|2,0,1]=4 347 B12R1.100 CCCCc1cc(cc(n1)F)C 271570a_100020621405_100009819601 [0,0,0,0,0,1|2,0,1]=4 348 B12R1.100 CCCCc1cc(cc(n1)N)C 271570a_100020621405_100009819863 [0,0,0,0,0,1|2,0,1]=4 349 B12R1.100 CCCCc1cc(nc(c1)C)C 271570a_100020621405_100009816552 [0,0,0,0,0,1|2,0,1]=4 350 B12R1.100 CCCCc1cc(nc(c1)F)C 271570a_100020621405_100010006595 [0,0,0,0,0,1|2,0,1]=4 351 B12R1.100 CCCCc1cc(nc(c1)N)C 271570a_100020621405_100000076705 [0,0,0,0,0,1|2,0,1]=4 352 B12R1.100 CCCCc1cc(nc(n1)C)C 271570a_100020621405_100000736142 [0,0,0,0,0,1|2,0,1]=4 353 B12R1.100 CCCCc1cc(nc(n1)N)C 271570a_100020621405_100000183061 [0,0,0,0,0,1|2,0,1]=4 354 B12R1.100 CCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210303 [0,0,0,0,0,1|2,0,1]=4 355 B12R1.100 CCCOc1cc(oc(=O)c1)C 34a_100000210952_100000210303 [0,0,0,0,0,1|1,0,1]=3 356 B12R1.100 CCCOc1cc(oc(=O)c1)C 7a_100000210952_100000210303 [0,0,0,0,0,1|1,0,1]=3 357 B12R1.100 CCCSc1cc([nH]c(=O)c1)C 62a_100000210303_100009861981 [0,0,0,0,0,1|2,0,1]=4 358 B12R1.100 CCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210303 [0,0,0,0,0,1|2,0,1]=4 359 B12R1.100 CCNN=C1C=C(OC(=O)C1)C 4a_100000756455_100000143624 [0,0,0,0,0,1|2,0,1]=4 360 B12R1.100 CSCOc1cc(oc(=O)c1)C 34a_100000210952_100011218213 [0,0,0,0,0,1|2,0,1]=4 361 B12R1.100 Cc1cc(cc(=O)o1)OCCF 34a_100000210952_100011217306 [0,0,0,0,0,1|2,0,1]=4 362 B12R1.100 Cc1cc(cc(=O)o1)OCCF 7a_100000210952_100011217306 [0,0,0,0,0,1|2,0,1]=4 363 B12R1.100 Cc1cc(cc(=O)o1)OCCO 34a_100000210952_100000211926 [0,0,0,0,0,1|2,0,1]=4 364 B12R1.100 Cc1cc(cc(=O)o1)OCCO 7a_100000210952_100000211926 [0,0,0,0,0,1|2,0,1]=4 365 B12R1.374 CCCCc1cc(c[nH]c1=O)F 271570a_100020621405_100009817720 [0,0,0,0,0,1|2,0,1]=4 366 B12R1.374 CCCCc1cc(ccc1Br)C 271570a_100020621405_100012353751 [0,0,0,0,0,1|2,0,1]=4 367 B12R1.374 CCCCc1cc(ccc1C)C 271570a_100020621405_100000210833 [0,0,0,0,0,1|2,0,1]=4 368 B12R1.374 CCCCc1cc(ccc1Cl)C 271570a_100020621405_100012356289 [0,0,0,0,0,1|2,0,1]=4 369 B12R1.374 CCCCc1cc(ccc1F)C 271570a_100020621405_100000736223 [0,0,0,0,0,1|2,0,1]=4 370 B12R1.374 CCCCc1cc(ccc1N)C 271570a_100020621405_100000210942 [0,0,0,0,0,1|2,0,1]=4 371 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [0,0,0,0,0,1|1,0,2]=4 372 B12R1.374 CCCCc1cc(cnc1C)C 271570a_100020621405_100009817436 [0,0,0,0,0,1|2,0,1]=4 373 B12R1.374 CCCCc1cc(cnc1Cl)C 271570a_100020621405_100010210167 [0,0,0,0,0,1|2,0,1]=4 374 B12R1.374 CCCCc1cc(cnc1F)C 271570a_100020621405_100000049784 [0,0,0,0,0,1|2,0,1]=4 375 B12R1.374 CCCCc1cc(cnc1N)C 271570a_100020621405_100000049664 [0,0,0,0,0,1|2,0,1]=4 376 B12R1.374 CCCCc1cc(cnc1O)C 271570a_100020621405_100000049931 [0,0,0,0,0,1|1,0,2]=4 377 B12R1.374 CCCCc1cc(n[nH]c1=O)C 271570a_100020621405_100009819039 [0,0,0,0,0,1|1,0,1]=3 378 B12R1.374 CCCCc1cc(ncc1C)C 271570a_100020621405_100009862788 [0,0,0,0,0,1|2,0,1]=4 379 B12R1.374 CCCCc1cc(ncc1F)C 271570a_100020621405_100009867690 [0,0,0,0,0,1|2,0,1]=4 380 B12R1.374 CCCCc1cc(ncc1O)C 271570a_100020621405_100009843476 [0,0,0,0,0,1|1,0,2]=4 381 B12R1.374 CCCCc1cn(ccc1=O)C 271570a_100020621405_100010750718 [0,0,0,0,0,1|2,0,0]=3 382 B12R1.374 CCCCc1nc(c[nH]c1=O)C 271570a_100020621405_100009858157 [0,0,0,0,0,1|2,0,1]=4 383 B12R1.374 CCCSc1cc(n[nH]c1=O)C 62a_100000210303_100009819039 [0,0,0,0,0,1|2,0,1]=4 384 B12R1.374 CCCSc1cc(n[nH]c1=O)C 62a_100009819039_100000210303 [0,0,0,0,0,1|2,0,1]=4 385 B12R1.374 CCCSc1cn(ccc1=O)C 62a_100000210303_100010750718 [0,0,0,0,0,1|3,0,0]=4 386 B12R1.374 CCCSc1cn(ccc1=O)C 62a_100010750718_100000210303 [0,0,0,0,0,1|3,0,0]=4 387 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,1,0,0,0|1,0,1]=4 388 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,1,0,0,0|1,0,1]=4 389 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,1,0,0,0|1,0,1]=4 390 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,1,0,0,0|1,0,1]=4 391 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,1,0,0,0|1,0,1]=4 392 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,1,0,0,0|1,0,1]=4 393 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,1,0,0,0|1,0,1]=4 394 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,1,0,0,0|1,0,1]=4 395 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,1,0,0,0|2,0,0]=4 396 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,1,0,0,0|2,0,0]=4 397 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,1,0,0,0|2,0,0]=4 398 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,1,0,0,0|2,0,0]=4 399 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,1,0,0,0|2,0,0]=4 400 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,1,0,0,0|2,0,0]=4 401 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,1,0,0,0|2,0,0]=4 402 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,1,0,0,0|2,0,0]=4 403 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,1,0,0,0|2,0,0]=4 404 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,1,0,0,0|2,0,0]=4 405 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,1,0,0,0|1,0,1]=4 406 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,1,0,0,0|1,0,1]=4 407 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,1,0,0,0|1,0,1]=4 408 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,1,0,0,0|1,0,1]=4 409 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,0,1,0,0,0|2,0,0]=4 410 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,0,1,0,0,0|1,0,1]=4 411 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,0,1,0,0,0|1,0,1]=4 412 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,0,1,0,0,0|1,0,1]=4 413 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,0,1,0,0,0|1,0,1]=4 414 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,0,1,0,0,0|1,0,1]=4 415 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,0,1,0,0,0|1,0,1]=4 416 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,0,1,0,0,0|1,0,1]=4 417 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,0,1,0,0,0|1,0,1]=4 418 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,1,0,0,0|1,0,1]=4 419 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,1,0,0,0|1,0,1]=4 420 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,1,0,0,0|1,0,1]=4 421 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,1,0,0,0|1,0,1]=4 422 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,1,0,0,0|1,0,1]=4 423 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,1,0,0,0|1,0,1]=4 424 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,1,0,0,0|1,0,1]=4 425 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,1,0,0,0|1,0,1]=4 426 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,1,0,0,0|1,0,1]=4 427 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,1,0,0,0|1,0,1]=4 428 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,1,0,0,0|1,0,1]=4 429 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,1,0,0,0|1,0,1]=4 430 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,1,0,0,0|2,0,0]=4 431 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,1,0,0,0|2,0,0]=4 432 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,1,0,0,0|2,0,0]=4 433 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,1,0,0,0|2,0,0]=4 434 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,1,0,0,0|2,0,0]=4 435 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,1,0,0,0|2,0,0]=4 436 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,1,0,0,0|1,0,1]=4 437 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,1,0,0,0|1,0,1]=4 438 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,1,0,0,0|1,0,1]=4 439 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [1,0,1,0,0,0|1,0,1]=4 440 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [1,0,1,0,0,0|1,0,1]=4 441 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,0,1,0,0,0|1,0,1]=4 442 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,0,1,0,0,0|1,0,1]=4 443 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,0,1,0,0,0|1,0,1]=4 444 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,0,1,0,0,0|1,0,1]=4 445 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,0,1,0,0,0|1,0,1]=4 446 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,0,1,0,0,0|1,0,1]=4 447 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,0,1,0,0,0|1,0,1]=4 448 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,0,1,0,0,0|1,0,1]=4 449 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,0,1,0,0,0|0,0,1]=3 450 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,0,1,0,0,0|0,0,1]=3 451 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 452 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 453 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 454 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,0,1,0,0,0|1,0,1]=4 455 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,0,1,0,0,0|1,0,1]=4 456 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,0,1,0,0,0|1,0,1]=4 457 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,0,1,0,0,0|1,0,1]=4 458 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,0,1,0,0,0|1,0,1]=4 459 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,0,1,0,0,0|1,0,1]=4 460 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,0,1,0,0,0|1,0,1]=4 461 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,0,1,0,0,0|1,0,1]=4 462 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,0,1,0,0,0|1,0,1]=4 463 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,0,1,0,0,0|1,0,1]=4 464 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,0,1,0,0,0|1,0,1]=4 465 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,0,1,0,0,0|1,0,1]=4 466 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,0,1,0,0,0|1,0,1]=4 467 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,0,1,0,0,0|1,0,1]=4 468 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,0,1,0,0,0|1,0,1]=4 469 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,0,1,0,0,0|1,0,1]=4 470 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,0,1,0,0,0|1,0,1]=4 471 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,0,1,0,0,0|1,0,1]=4 472 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [1,0,1,0,0,0|1,0,0]=3 473 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [1,0,1,0,0,0|1,0,0]=3 474 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [1,0,1,0,0,0|1,0,0]=3 475 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [1,0,1,0,0,0|2,0,0]=4 476 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [1,0,1,0,0,0|2,0,0]=4 477 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [1,0,1,0,0,0|0,0,2]=4 478 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,0,1,0,0,0|2,0,0]=4 479 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [1,0,1,0,0,0|0,0,2]=4 480 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [1,0,1,0,0,0|0,0,2]=4 481 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [1,0,1,0,0,0|1,0,1]=4 482 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [1,0,1,0,0,0|1,0,1]=4 483 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [1,0,1,0,0,0|1,0,1]=4 484 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [1,0,1,0,0,0|1,0,1]=4 485 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [1,0,1,0,0,0|1,0,1]=4 486 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,0,1,0,0,0|2,0,0]=4 487 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [1,0,1,0,0,0|2,0,0]=4 488 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [1,0,1,0,0,0|2,0,0]=4 489 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [1,0,1,0,0,0|2,0,0]=4 490 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [1,0,1,0,0,0|2,0,0]=4 491 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [1,0,1,0,0,0|2,0,0]=4 492 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [1,0,1,0,0,0|2,0,0]=4 493 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [1,0,1,0,0,0|2,0,0]=4 494 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,0,1,0,0,0|2,0,0]=4 495 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,0,1,0,0,0|1,0,1]=4 496 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,0,1,0,0,0|1,0,0]=3 497 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,0,1,0,0,0|1,0,0]=3 498 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,0,1,0,0,0|1,0,0]=3 499 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,0,1,0,0,0|1,0,0]=3 500 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,0,1,0,0,0|1,0,0]=3 501 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,0,1,0,0,0|1,0,0]=3 502 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,0,1,0,0,0|1,0,0]=3 503 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [1,0,1,0,0,0|2,0,0]=4 504 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,0,1,0,0,0|2,0,0]=4 505 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,0,1,0,0,0|2,0,0]=4 506 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,0,1,0,0,0|2,0,0]=4 507 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,0,1,0,0,0|2,0,0]=4 508 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,0,1,0,0,0|2,0,0]=4 509 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,0,1,0,0,0|2,0,0]=4 510 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,0,1,0,0,0|1,0,1]=4 511 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,0,1,0,0,0|1,0,1]=4 512 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,0,1,0,0,0|1,0,1]=4 513 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [1,0,1,0,0,0|2,0,0]=4 514 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [1,0,1,0,0,0|2,0,0]=4 515 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [1,0,1,0,0,0|2,0,0]=4 516 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [1,0,1,0,0,0|2,0,0]=4 517 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,0,1,0,0,0|1,0,1]=4 518 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,0,1,0,0,0|1,0,1]=4 519 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [2,0,0,0,0,0|0,0,1]=3 520 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [2,0,0,0,0,0|0,1,1]=4 521 B9R1.12 CCCCc1cn[nH]c1 271570a_100020621405_100000238712 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.12 CCCCc1cnoc1 271570a_100020621405_100009815712 [2,0,0,0,0,0|1,0,0]=3 523 B9R1.12 CCCCc1cnsc1 271570a_100020621405_100009815736 [2,0,0,0,0,0|1,1,0]=4 524 B9R1.12 CCCSc1ccoc1 62a_100000210303_100011215275 [2,0,0,0,0,0|1,0,1]=4 525 B9R1.12 CCCSc1ccoc1 62a_100011215275_100000210303 [2,0,0,0,0,0|1,0,1]=4 526 B9R1.12 CCCSc1cnoc1 62a_100000210303_100009815712 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.12 CCCSc1cnoc1 62a_100009815712_100000210303 [2,0,0,0,0,0|2,0,0]=4 528 B9R1.12 CCNCc1ccoc1 207a_100015525214_100011215517 [2,0,0,0,0,0|1,0,1]=4 529 B9R1.12 CCNCc1ccoc1 2230a_100015206860_100000210202 [2,0,0,0,0,0|1,0,1]=4 530 B9R1.12 CCNCc1ccoc1 270004a_100015525214_100011215517 [2,0,0,0,0,0|1,0,1]=4 531 B9R1.12 CCNCc1ccoc1 34a_100015206860_100000210202 [2,0,0,0,0,0|1,0,1]=4 532 B9R1.12 CCOCc1ccoc1 34a_100011215357_100000210202 [2,0,0,0,0,0|1,0,1]=4 533 B9R1.12 COCCc1cnoc1 34a_100000732699_200000210301 [2,0,0,0,0,0|2,0,0]=4 534 B9R1.12 [13CH3]OCCc1cnoc1 34a_100000732699_200025704644 [2,0,0,0,0,0|2,0,0]=4 535 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [2,0,0,0,0,0|2,0,0]=4 536 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [2,0,0,0,0,0|2,0,0]=4 537 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100000210326_100009818208 [0,1,1,0,0,0|1,0,1]=4 538 B11R0.2 CCCCCSC(C)OC(=O)C 62a_100009818208_100000210326 [0,1,1,0,0,0|1,0,1]=4 539 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,1,1,0,0,0|0,0,2]=4 540 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,1,1,0,0,0|0,0,2]=4 541 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,1,1,0,0,0|1,0,1]=4 542 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,1,1,0,0,0|1,0,1]=4 543 B11R0.68 CCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210211 [0,1,1,0,0,0|1,0,1]=4 544 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,1,1,0,0,0|1,0,1]=4 545 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [0,1,1,0,0,0|2,0,0]=4 546 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [0,1,1,0,0,0|2,0,0]=4 547 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [0,1,1,0,0,0|2,0,0]=4 548 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [0,1,1,0,0,0|2,0,0]=4 549 B11R0.11 CCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210211 [0,1,1,0,0,0|2,0,0]=4 550 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,1,1,0,0,0|0,0,2]=4 551 B11R0.11 CCCCN(C)C(=O)COCC 11a_100000207549_100000211967 [0,1,1,0,0,0|1,0,1]=4 552 B11R0.11 CCCCN(C)C(=O)COCC 1626a_100000207549_100000211967 [0,1,1,0,0,0|1,0,1]=4 553 B11R0.11 CCCCN(C)C(=O)COCC 240690a_100000207549_100000211967 [0,1,1,0,0,0|1,0,1]=4 554 B11R0.11 CCCCN(C)C(=O)COCC 34a_100121572206_100000230175 [0,1,1,0,0,0|1,0,1]=4 555 B11R0.11 CCCCN(C)C(=O)COCC 527a_100000207549_100000211967 [0,1,1,0,0,0|1,0,1]=4 556 B11R0.43 C=C(CN(C)CC)C(=O)OCC 269982a_100000225621_100000755967 [0,1,1,0,0,0|1,0,0]=3 557 B11R0.43 CCNC(=O)C(=O)CC(C)CC 1458a_200011297158_100000748023 [0,1,1,0,0,0|2,0,0]=4 558 B11R0.43 CCNC(=O)C(=O)CC(O)CC 1458a_200011297158_100011218378 [0,1,1,0,0,0|2,0,0]=4 559 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CC 1458a_200011297158_100009816398 [0,1,1,0,0,0|2,0,0]=4 560 B11R0.43 CCOC(=O)C(=O)CN(C)CC 269982a_100000225621_100000211299 [0,1,1,0,0,0|2,0,0]=4 561 B11R0.43 CCOC(=O)C(=O)NC(C)CC 11a_100000209981_100014798877 [0,1,1,0,0,0|2,0,0]=4 562 B11R0.43 CCOC(=O)C(=O)NC(C)CC 1626a_100000209981_100014798877 [0,1,1,0,0,0|2,0,0]=4 563 B11R0.43 CCOC(=O)C(=O)NC(C)CC 240690a_100000209981_100014798877 [0,1,1,0,0,0|2,0,0]=4 564 B11R0.59 C=C(CNC(C)C)C(=O)OCC 34a_100138425928_100000755967 [0,1,1,0,0,0|1,0,0]=3 565 B11R0.59 C=C(COC(C)C)C(=O)OCC 34a_100000212225_100000755967 [0,1,1,0,0,0|1,0,0]=3 566 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000210206_100000755967 [0,1,1,0,0,0|1,0,0]=3 567 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000755967_100000210206 [0,1,1,0,0,0|1,0,0]=3 568 B11R0.59 CCNC(=O)C(=O)CCC(C)C 1458a_200011297158_100000210312 [0,1,1,0,0,0|2,0,0]=4 569 B11R0.59 CCNC(=O)C(=O)CCC(C)O 1458a_200011297158_100012276601 [0,1,1,0,0,0|2,0,0]=4 570 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000210206_100000211299 [0,1,1,0,0,0|2,0,0]=4 571 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000211299_100000210206 [0,1,1,0,0,0|2,0,0]=4 572 B11R0.59 CCOC(=O)C(=O)NCC(C)C 11a_100000210953_100014798877 [0,1,1,0,0,0|2,0,0]=4 573 B11R0.59 CCOC(=O)C(=O)NCC(C)C 1626a_100000210953_100014798877 [0,1,1,0,0,0|2,0,0]=4 574 B11R0.59 CCOC(=O)C(=O)NCC(C)C 240690a_100000210953_100014798877 [0,1,1,0,0,0|2,0,0]=4 575 B11R0.59 CCOC(=O)C(=O)NCC(C)O 11a_100000210904_100014798877 [0,1,1,0,0,0|2,0,0]=4 576 B11R0.59 CCOC(=O)C(=O)NCC(C)O 240690a_100000210904_100014798877 [0,1,1,0,0,0|2,0,0]=4 577 B11R0.177 CCCC(C)C(=O)C(=O)NCC 1458a_200011297158_100000766640 [0,1,1,0,0,0|2,0,0]=4 578 B11R0.177 CCCN(C)C(=O)C(=O)OCC 11a_100000747261_100014798877 [0,1,1,0,0,0|2,0,0]=4 579 B11R0.177 CCCN(C)C(=O)C(=O)OCC 1626a_100000747261_100014798877 [0,1,1,0,0,0|2,0,0]=4 580 B11R0.177 CCCN(C)C(=O)C(=O)OCC 240690a_100000747261_100014798877 [0,1,1,0,0,0|2,0,0]=4 581 B11R0.177 CCNC(C)C(=O)C(=O)OCC 2230a_100015525214_100010256902 [0,1,1,0,0,0|2,0,0]=4 582 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100000210202_100010256902 [0,1,1,0,0,0|2,0,0]=4 583 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100010256902_100000210202 [0,1,1,0,0,0|2,0,0]=4 584 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,1,1,0,0,0|0,0,2]=4 585 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,1,1,0,0,0|0,0,2]=4 586 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,1,1,0,0,0|0,0,2]=4 587 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,1,1,0,0,0|0,0,2]=4 588 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,1,1,0,0,0|0,0,2]=4 589 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,1,1,0,0,0|0,0,2]=4 590 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,1,1,0,0,0|0,0,2]=4 591 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,1,1,0,0,0|0,0,2]=4 592 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,1,1,0,0,0|0,0,2]=4 593 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,1,1,0,0,0|0,0,2]=4 594 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,1,1,0,0,0|0,0,2]=4 595 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,1,1,0,0,0|0,0,2]=4 596 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [0,1,1,0,0,0|1,0,1]=4 597 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [0,1,1,0,0,0|1,0,1]=4 598 B11R0.38 CCCCC(CCC)C(=O)CO 1458a_100000210174_100000211913 [0,1,1,0,0,0|0,0,2]=4 599 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [0,1,1,0,0,0|1,0,1]=4 600 B11R0.38 CCCCC(OCC)C(=O)OC 34a_100121572206_100000750740 [0,1,1,0,0,0|1,0,1]=4 601 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000210202_100000750740 [0,1,1,0,0,0|1,0,1]=4 602 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000750740_100000210202 [0,1,1,0,0,0|1,0,1]=4 603 B11R0.38 CCCCN(CCC)C(=O)CO 240690a_200000207744_100000210174 [0,1,1,0,0,0|1,0,1]=4 604 B11R0.38 CCCCN(CCC)C(=O)CO 527a_200000207744_100000210174 [0,1,1,0,0,0|1,0,1]=4 605 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,1,1,0,0,0|0,0,2]=4 606 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [0,1,1,0,0,0|1,0,1]=4 607 B11R1.27 CCCCOc1cnn(c1)C 34a_100000707646_100000210210 [1,1,0,0,0,0|2,0,0]=4 608 B11R1.27 CCCCSc1cc(on1)C 62a_100000210211_100000716708 [1,1,0,0,0,0|1,0,1]=4 609 B11R1.27 CCCCSc1cc(on1)C 62a_100000716708_100000210210 [1,1,0,0,0,0|1,0,1]=4 610 B11R1.27 CCCCSc1cnn(c1)C 62a_100000210211_100000745744 [1,1,0,0,0,0|2,0,0]=4 611 B11R1.27 CCCCSc1cnn(c1)C 62a_100000745744_100000210210 [1,1,0,0,0,0|2,0,0]=4 612 B11R1.27 CCCCSc1csc(c1)C 62a_100000210211_100000759034 [1,1,0,0,0,0|0,1,1]=4 613 B11R1.27 CCCCSc1csc(c1)C 62a_100000759034_100000210210 [1,1,0,0,0,0|0,1,1]=4 614 B11R1.27 CCCNCc1cc(on1)C 207a_100020643023_100011217994 [1,1,0,0,0,0|1,0,1]=4 615 B11R1.27 CCCNCc1cc(on1)C 2230a_100000745230_100000210303 [1,1,0,0,0,0|1,0,1]=4 616 B11R1.27 CCCNCc1cc(on1)C 270004a_100020643023_100011217994 [1,1,0,0,0,0|1,0,1]=4 617 B11R1.27 CCCNCc1cc(on1)C 34a_100000745230_100000210303 [1,1,0,0,0,0|1,0,1]=4 618 B11R1.27 CCCNCc1cnn(c1)C 207a_100020643023_100000206001 [1,1,0,0,0,0|2,0,0]=4 619 B11R1.27 CCCNCc1cnn(c1)C 270004a_100020643023_100000206001 [1,1,0,0,0,0|2,0,0]=4 620 B11R1.27 CCCNCc1cnn(c1)C 34a_100000744365_100000210303 [1,1,0,0,0,0|2,0,0]=4 621 B11R1.27 CCCNCc1coc(n1)C 207a_100020643023_100011361629 [1,1,0,0,0,0|1,0,1]=4 622 B11R1.27 CCCNCc1coc(n1)C 270004a_100020643023_100011361629 [1,1,0,0,0,0|1,0,1]=4 623 B11R1.27 CCCNCc1csc(c1)C 207a_100020643023_100011998532 [1,1,0,0,0,0|0,1,1]=4 624 B11R1.27 CCCNCc1csc(c1)C 270004a_100020643023_100011998532 [1,1,0,0,0,0|0,1,1]=4 625 B11R1.27 CCCOCc1cc(on1)C 34a_100000210258_100000199038 [1,1,0,0,0,0|1,0,1]=4 626 B11R1.27 CCCOCc1cc(on1)C 34a_100011216401_100000210303 [1,1,0,0,0,0|1,0,1]=4 627 B11R1.27 CCCOCc1cnn(c1)C 34a_100000210258_100000744441 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.27 CCCOCc1cnn(c1)C 34a_100000239500_100000210303 [1,1,0,0,0,0|2,0,0]=4 629 B11R1.27 CCCOCc1coc(n1)C 34a_100012017233_100000210303 [1,1,0,0,0,0|1,0,1]=4 630 B11R1.27 CCCSCc1cc(on1)C 62a_100000199038_100000210303 [1,1,0,0,0,0|1,0,1]=4 631 B11R1.27 CCCSCc1cc(on1)C 62a_100000210303_100000199038 [1,1,0,0,0,0|1,0,1]=4 632 B11R1.27 CCCSCc1cnn(c1)C 62a_100000210303_100000744441 [1,1,0,0,0,0|2,0,0]=4 633 B11R1.27 CCCSCc1cnn(c1)C 62a_100000744441_100000210303 [1,1,0,0,0,0|2,0,0]=4 634 B11R1.27 CCOCCc1cnn(c1)C 34a_200000756233_100000210202 [1,1,0,0,0,0|2,0,0]=4 635 B11R1.27 CNCCCc1cnn(c1)C 2230a_100025718371_200000210301 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.27 CNCCCc1cnn(c1)C 34a_100025718371_200000210301 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.27 COCCCc1cnn(c1)C 34a_100000749701_200000210301 [1,1,0,0,0,0|2,0,0]=4 638 B11R1.27 Cn1cc(cn1)CCCN[13CH3] 2230a_100025718371_200025704644 [1,1,0,0,0,0|2,0,0]=4 639 B11R1.27 Cn1cc(cn1)CCCN[13CH3] 34a_100025718371_200025704644 [1,1,0,0,0,0|2,0,0]=4 640 B11R1.27 Cn1cc(cn1)CCCO[13CH3] 34a_100000749701_200025704644 [1,1,0,0,0,0|2,0,0]=4 641 B11R1.212 CCCCc1cnn(c1C)C 271570a_100020621405_100000722751 [1,1,0,0,0,0|2,0,0]=4 642 B11R1.212 CCCCc1cnn(c1F)C 271570a_100020621405_200011161937 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.212 CCCCc1csc(c1C)C 271570a_100020621405_100009820295 [1,1,0,0,0,0|0,1,1]=4 644 B11R1.214 CCCCc1cnn(c1)CC 271570a_100020621405_100011400201 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.214 CCCCc1coc(c1)C=O 271570a_100020621405_100000747035 [1,1,0,0,0,0|0,0,2]=4 646 B11R1.214 CCCCc1csc(c1)CC 271570a_100020621405_100009846239 [1,1,0,0,0,0|0,1,1]=4 647 B11R1.214 CCCCc1csc(c1)CO 271570a_100020621405_100000238369 [1,1,0,0,0,0|0,1,1]=4 648 B11R1.214 CCCCc1csc(c1)SC 271570a_100020621405_200010256830 [1,1,0,0,0,0|0,1,1]=4 649 B11R1.18 CCCCc1ccoc1C=O 271570a_100020621405_100000756499 [1,1,0,0,0,0|0,0,1]=3 650 B11R1.18 CCCCc1ccsc1C=O 271570a_100020621405_100000766043 [1,1,0,0,0,0|0,1,1]=4 651 B11R1.18 CCCCc1cscc1C=O 271570a_100020621405_100000685484 [1,1,0,0,0,0|2,0,0]=4 652 B11R1.18 CCCSc1ccoc1C=O 62a_100000210303_100000756499 [1,1,0,0,0,0|1,0,1]=4 653 B11R1.18 CCCSc1ccoc1C=O 62a_100000756499_100000210303 [1,1,0,0,0,0|1,0,1]=4 654 B11R1.90 CC(C)OCC1=CCCC1=O 34a_100000087531_100000210206 [1,1,0,0,0,0|2,0,0]=4 655 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [1,1,0,0,0,0|0,0,2]=4 656 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [1,1,0,0,0,0|0,0,2]=4 657 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [1,1,0,0,0,0|0,0,2]=4 658 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [1,1,0,0,0,0|0,0,2]=4 659 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [1,1,0,0,0,0|0,0,2]=4 660 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [1,1,0,0,0,0|0,0,2]=4 661 B11R1.180 CCCCSc1cnoc1C 62a_100000210211_100009872056 [1,1,0,0,0,0|2,0,0]=4 662 B11R1.180 CCCCSc1cnoc1C 62a_100009872056_100000210210 [1,1,0,0,0,0|2,0,0]=4 663 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.180 CCCOCc1ccoc1C 34a_100011219433_100000210303 [1,1,0,0,0,0|1,0,1]=4 665 B11R1.180 CCCOCc1ccoc1C 7a_100011219433_100000210303 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.180 CSCOCC1=CCCC1=O 34a_100000087531_100011218213 [1,1,0,0,0,0|2,0,0]=4 667 B11R1.180 O=C1CCC=C1COCCF 34a_100000087531_100011217306 [1,1,0,0,0,0|2,0,0]=4 668 B11R1.180 O=C1CCC=C1COCCO 34a_100000087531_100000211926 [1,1,0,0,0,0|2,0,0]=4 669 B11R1.465 CCCCc1c([nH][nH]c1=O)C 271570a_100020621405_100000686169 [1,1,0,0,0,0|2,0,0]=4 670 B11R1.465 CCCCc1c(noc1C)C 271570a_100020621405_100000694658 [1,1,0,0,0,0|2,0,0]=4 671 B11R1.465 CCCCc1c(noc1C)N 271570a_100020621405_100011216220 [1,1,0,0,0,0|2,0,0]=4 672 B11R1.465 CCCCc1c(noc1C)O 271570a_100020621405_100010730664 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.465 CCCCc1c(noc1N)C 271570a_100020621405_100000754107 [1,1,0,0,0,0|2,0,0]=4 674 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [1,1,0,0,0,0|1,0,1]=4 675 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [1,1,0,0,0,0|1,0,1]=4 676 B13R1.73 CCCCc1ccc(cc1C=O)C 271570a_100020621405_100011551863 [0,1,0,0,0,1|1,0,1]=4 677 B13R1.73 CCCCc1ccc(nc1C=O)C 271570a_100020621405_100010173661 [0,1,0,0,0,1|1,0,1]=4 678 B13R1.73 CCCCc1ncc(cc1C=O)C 271570a_100020621405_100000050350 [0,1,0,0,0,1|1,0,1]=4 679 B13R1.369 CCCCOc1coc(cc1=O)C 34a_100000081520_100000210210 [0,1,0,0,0,1|1,0,1]=4 680 B13R1.369 CCCCSc1cnc([nH]c1=O)C 62a_100000210211_100011999157 [0,1,0,0,0,1|1,0,1]=4 681 B13R1.369 CCCCSc1cnc([nH]c1=O)C 62a_100011999157_100000210210 [0,1,0,0,0,1|1,0,1]=4 682 B13R1.1630 CCCCc1cc(c([nH]c1=O)C)C 271570a_100020621405_100010064231 [0,1,0,0,0,1|1,0,1]=4 683 B13R1.55 CCCCNc1cc([nH]c(=O)c1)C 27a_100000102301_100009861981 [0,1,0,0,0,1|1,0,1]=4 684 B13R1.55 CCCCOc1cc([nH]c(=O)c1)C 34a_100000039070_100000210210 [0,1,0,0,0,1|1,0,1]=4 685 B13R1.55 CCCCOc1cc(oc(=O)c1)C 34a_100000210952_100000210210 [0,1,0,0,0,1|0,0,1]=3 686 B13R1.55 CCCCOc1cc(oc(=O)c1)C 7a_100000210952_100000210211 [0,1,0,0,0,1|0,0,1]=3 687 B13R1.55 CCCCSc1cc([nH]c(=O)c1)C 62a_100000210211_100009861981 [0,1,0,0,0,1|1,0,1]=4 688 B13R1.55 CCCCSc1cc([nH]c(=O)c1)C 62a_100009861981_100000210210 [0,1,0,0,0,1|1,0,1]=4 689 B13R1.55 CCCNN=C1C=C(OC(=O)C1)C 4a_100000740057_100000143624 [0,1,0,0,0,1|1,0,1]=4 690 B13R1.55 COCCOc1cc(oc(=O)c1)C 34a_100000210952_100011201679 [0,1,0,0,0,1|1,0,1]=4 691 B13R1.55 COCCOc1cc(oc(=O)c1)C 7a_100000210952_100000233755 [0,1,0,0,0,1|1,0,1]=4 692 B13R1.55 CSCCOc1cc(oc(=O)c1)C 34a_100000210952_100000212216 [0,1,0,0,0,1|1,0,1]=4 693 B13R1.55 CSCCOc1cc(oc(=O)c1)C 7a_100000210952_100000212216 [0,1,0,0,0,1|1,0,1]=4 694 B13R1.55 Cc1cc(cc(=O)o1)OCCCF 34a_100000210952_100011934791 [0,1,0,0,0,1|1,0,1]=4 695 B13R1.55 Cc1cc(cc(=O)o1)OCCCF 7a_100000210952_100011934791 [0,1,0,0,0,1|1,0,1]=4 696 B13R1.55 Cc1cc(cc(=O)o1)OCCCO 34a_100000210952_100000230001 [0,1,0,0,0,1|1,0,1]=4 697 B13R1.55 Cc1cc(cc(=O)o1)OCCCO 7a_100000210952_100011215043 [0,1,0,0,0,1|1,0,1]=4 698 B13R1.124 CCCCc1cc(cc(c1)C=O)C 271570a_100020621405_100000686105 [0,1,0,0,0,1|1,0,1]=4 699 B13R1.124 CCCCc1cc(nc(c1)C=O)C 271570a_100020621405_100009814795 [0,1,0,0,0,1|1,0,1]=4 700 B13R1.2874 CCC(C)Oc1cc(oc(=O)c1)C 34a_100000210952_100011215416 [0,1,0,0,0,1|1,0,1]=4 701 B13R1.2874 CCC(C)Oc1cc(oc(=O)c1)C 7a_100000210952_100000758301 [0,1,0,0,0,1|1,0,1]=4 702 B13R1.3420 Cc1cc(cc(=O)o1)OCC(C)C 34a_100000210952_100000210624 [0,1,0,0,0,1|1,0,1]=4 703 B13R1.3420 Cc1cc(cc(=O)o1)OCC(C)C 7a_100000210952_100000210760 [0,1,0,0,0,1|1,0,1]=4 704 B13R1.3420 Cc1cc(cc(=O)o1)OCC(C)O 34a_100000210952_100011218427 [0,1,0,0,0,1|1,0,1]=4 705 B13R1.3420 Cc1cc(cc(=O)o1)OCC(C)O 7a_100000210952_100011218427 [0,1,0,0,0,1|1,0,1]=4 706 B13R1.3420 Cc1cc(cc(=O)o1)OC[C@@H](C)O 34a_100000210952_100009817552 [0,1,0,0,0,1|1,0,1]=4 707 B13R1.3420 Cc1cc(cc(=O)o1)OC[C@@H](C)O 7a_100000210952_100009817552 [0,1,0,0,0,1|1,0,1]=4 708 B13R1.556 CCCCc1cc(ccc1C=O)C 271570a_100020621405_100000692596 [0,1,0,0,0,1|1,0,1]=4 709 B13R1.656 CCCCNc1cc(n[nH]c1=O)C 27a_100000102301_100009819039 [0,1,0,0,0,1|1,0,1]=4 710 B13R1.656 CCCCSc1cc(n[nH]c1=O)C 62a_100000210211_100009819039 [0,1,0,0,0,1|1,0,1]=4 711 B13R1.656 CCCCSc1cc(n[nH]c1=O)C 62a_100009819039_100000210210 [0,1,0,0,0,1|1,0,1]=4 712 B13R1.656 CCCCSc1cn(ccc1=O)C 62a_100000210211_100010750718 [0,1,0,0,0,1|2,0,0]=4 713 B13R1.656 CCCCSc1cn(ccc1=O)C 62a_100010750718_100000210210 [0,1,0,0,0,1|2,0,0]=4 714 B13R1.680 CCCCC(=O)C1CC(OC1=O)C 1458a_100000210183_200000216747 [0,2,0,0,0,0|0,0,2]=4 715 B13R1.680 CCCCN(C)C1CC(OC1=O)C 2230a_100000207549_200000216747 [0,2,0,0,0,0|0,0,2]=4 716 B13R1.680 CCCCN(C)C1CC(OC1=O)C 269982a_100000207549_200000216747 [0,2,0,0,0,0|0,0,2]=4 717 B13R1.680 CCCNC(C)c1cc(oc1C)C 269862a_100020643023_100000211562 [0,2,0,0,0,0|1,0,1]=4 718 B13R1.563 CCCCc1cn(nc1C=O)CC 271570a_100020621405_100000763637 [0,2,0,0,0,0|2,0,0]=4 719 B13R1.660 CCCCSc1cc(sc1C=O)C 62a_100000210211_100011361552 [0,2,0,0,0,0|0,1,1]=4 720 B13R1.660 CCCCSc1cc(sc1C=O)C 62a_100011361552_100000210210 [0,2,0,0,0,0|0,1,1]=4 721 B13R1.660 CCCCSc1cn(nc1C=O)C 62a_100000210211_100009813915 [0,2,0,0,0,0|2,0,0]=4 722 B13R1.660 CCCCSc1cn(nc1C=O)C 62a_100009813915_100000210210 [0,2,0,0,0,0|2,0,0]=4 723 B13R1.190 CC1CC(C(=O)O1)NCCCCO 2230a_100000750430_200000216747 [0,2,0,0,0,0|0,0,2]=4 724 B13R1.190 CC1CC(C(=O)O1)NCCCCO 34a_100000750430_200000216747 [0,2,0,0,0,0|0,0,2]=4 725 B13R1.190 CC1CC(C(=O)O1)OCCCCBr 34a_100011216708_200000216747 [0,2,0,0,0,0|0,0,2]=4 726 B13R1.190 CC1CC(C(=O)O1)OCCCCCl 34a_100000210776_200000216747 [0,2,0,0,0,0|0,0,2]=4 727 B13R1.190 CC1CC(C(=O)O1)OCCCCCl 7a_100000210776_200000216747 [0,2,0,0,0,0|0,0,2]=4 728 B13R1.190 CC1CC(C(=O)O1)OCCCCF 34a_100011995726_200000216747 [0,2,0,0,0,0|0,0,2]=4 729 B13R1.190 CC1CC(C(=O)O1)OCCCCF 7a_100011995726_200000216747 [0,2,0,0,0,0|0,0,2]=4 730 B13R1.190 CC1CC(C(=O)O1)OCCCCI 34a_200012148704_200000216747 [0,2,0,0,0,0|0,0,2]=4 731 B13R1.190 CC1CC(C(=O)O1)OCCCCN 34a_100000750430_200000216747 [0,2,0,0,0,0|0,0,2]=4 732 B13R1.190 CC1CC(C(=O)O1)SCCCCF 62a_100000729493_200000216747 [0,2,0,0,0,0|0,0,2]=4 733 B13R1.190 CC1CC(C(=O)O1)SCCCCF 62a_200000216747_100000729493 [0,2,0,0,0,0|0,0,2]=4 734 B13R1.190 CC1CC(C(=O)O1)SCCCCO 62a_100000210776_200000216747 [0,2,0,0,0,0|0,0,2]=4 735 B13R1.190 CC1CC(C(=O)O1)SCCCCO 62a_200000216747_100000210776 [0,2,0,0,0,0|0,0,2]=4 736 B13R1.190 CCCCCNC1CC(OC1=O)C 2230a_100000209983_200000216747 [0,2,0,0,0,0|0,0,2]=4 737 B13R1.190 CCCCCOC1CC(OC1=O)C 34a_100000210253_200000216747 [0,2,0,0,0,0|0,0,2]=4 738 B13R1.190 CCCCCOC1CC(OC1=O)C 7a_100000210253_200000216747 [0,2,0,0,0,0|0,0,2]=4 739 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_100000210326_200000216747 [0,2,0,0,0,0|0,0,2]=4 740 B13R1.190 CCCCCSC1CC(OC1=O)C 62a_200000216747_100000210326 [0,2,0,0,0,0|0,0,2]=4 741 B13R1.190 CCCCOCc1cc(oc1C)C 34a_100000688432_100000210210 [0,2,0,0,0,0|1,0,1]=4 742 B13R1.190 CCCCOCc1cc(oc1C)C 7a_100000688432_100000210211 [0,2,0,0,0,0|1,0,1]=4 743 B13R1.190 CCOCCNC1CC(OC1=O)C 2230a_102516460346_200000216747 [0,2,0,0,0,0|0,0,2]=4 744 B13R1.190 CCOCCNC1CC(OC1=O)C 34a_102516460346_200000216747 [0,2,0,0,0,0|0,0,2]=4 745 B13R1.190 CCOCCOC1CC(OC1=O)C 34a_100000210136_200000216747 [0,2,0,0,0,0|0,0,2]=4 746 B13R1.190 CCOCCOC1CC(OC1=O)C 7a_100000210136_200000216747 [0,2,0,0,0,0|0,0,2]=4 747 B13R1.190 CCOCCSC1CC(OC1=O)C 62a_100000210147_200000216747 [0,2,0,0,0,0|0,0,2]=4 748 B13R1.190 CCOCCSC1CC(OC1=O)C 62a_200000216747_100011215890 [0,2,0,0,0,0|0,0,2]=4 749 B13R1.190 CCSCCNC1CC(OC1=O)C 2230a_100000106463_200000216747 [0,2,0,0,0,0|0,0,2]=4 750 B13R1.190 CCSCCOC1CC(OC1=O)C 34a_100000212035_200000216747 [0,2,0,0,0,0|0,0,2]=4 751 B13R1.190 CCSCCOC1CC(OC1=O)C 7a_100000212035_200000216747 [0,2,0,0,0,0|0,0,2]=4 752 B13R1.190 CCSCCSC1CC(OC1=O)C 62a_100000757381_200000216747 [0,2,0,0,0,0|0,0,2]=4 753 B13R1.190 CCSCCSC1CC(OC1=O)C 62a_200000216747_100000757381 [0,2,0,0,0,0|0,0,2]=4 754 B13R1.190 CNCCCOC1CC(OC1=O)C 34a_100000213112_200000216747 [0,2,0,0,0,0|0,0,2]=4 755 B13R1.190 COCCCNC1CC(OC1=O)C 34a_100150723488_200000216747 [0,2,0,0,0,0|0,0,2]=4 756 B13R1.190 COCCCOC1CC(OC1=O)C 34a_100000740835_200000216747 [0,2,0,0,0,0|0,0,2]=4 757 B13R1.190 COCCCSC1CC(OC1=O)C 62a_100000709357_200000216747 [0,2,0,0,0,0|0,0,2]=4 758 B13R1.190 COCCCSC1CC(OC1=O)C 62a_200000216747_100000709357 [0,2,0,0,0,0|0,0,2]=4 759 B13R1.190 COCCOCc1cc(oc1C)C 34a_100000688432_100011201679 [0,2,0,0,0,0|1,0,1]=4 760 B13R1.190 COCCOCc1cc(oc1C)C 7a_100000688432_100000233755 [0,2,0,0,0,0|1,0,1]=4 761 B13R1.190 CSCCCNC1CC(OC1=O)C 2230a_100000749238_200000216747 [0,2,0,0,0,0|0,0,2]=4 762 B13R1.190 CSCCCOC1CC(OC1=O)C 34a_100000690336_200000216747 [0,2,0,0,0,0|0,0,2]=4 763 B13R1.190 CSCCCOC1CC(OC1=O)C 7a_100000690336_200000216747 [0,2,0,0,0,0|0,0,2]=4 764 B13R1.190 CSCCOCc1cc(oc1C)C 34a_100000688432_100000212216 [0,2,0,0,0,0|1,0,1]=4 765 B13R1.190 CSCCOCc1cc(oc1C)C 7a_100000688432_100000212216 [0,2,0,0,0,0|1,0,1]=4 766 B13R1.190 Cc1cc(c(o1)C)COCCCF 34a_100000688432_100011934791 [0,2,0,0,0,0|1,0,1]=4 767 B13R1.190 Cc1cc(c(o1)C)COCCCF 7a_100000688432_100011934791 [0,2,0,0,0,0|1,0,1]=4 768 B13R1.190 Cc1cc(c(o1)C)COCCCO 34a_100000688432_100000230001 [0,2,0,0,0,0|1,0,1]=4 769 B13R1.190 Cc1cc(c(o1)C)COCCCO 7a_100000688432_100011215043 [0,2,0,0,0,0|1,0,1]=4 770 B13R1.596 CCC(C)CNC1CC(OC1=O)C 2230a_100020588543_200000216747 [0,2,0,0,0,0|0,0,2]=4 771 B13R1.596 CCC(C)CSC1CC(OC1=O)C 62a_100000748023_200000216747 [0,2,0,0,0,0|0,0,2]=4 772 B13R1.596 CCC(C)CSC1CC(OC1=O)C 62a_200000216747_100000748023 [0,2,0,0,0,0|0,0,2]=4 773 B13R1.596 CCC(C)OCc1cc(oc1C)C 34a_100000688432_100011215416 [0,2,0,0,0,0|1,0,1]=4 774 B13R1.596 CCC(C)OCc1cc(oc1C)C 7a_100000688432_100000758301 [0,2,0,0,0,0|1,0,1]=4 775 B13R1.596 CCC(O)CNC1CC(OC1=O)C 2230a_100011218483_200000216747 [0,2,0,0,0,0|0,0,2]=4 776 B13R1.596 CCC(O)CSC1CC(OC1=O)C 62a_100011218378_200000216747 [0,2,0,0,0,0|0,0,2]=4 777 B13R1.596 CCC(O)CSC1CC(OC1=O)C 62a_200000216747_100011218378 [0,2,0,0,0,0|0,0,2]=4 778 B13R1.596 CC[C@H](C)COC1CC(OC1=O)C 7a_100009816381_200000216747 [0,2,0,0,0,0|0,0,2]=4 779 B13R1.596 CC[C@H](C)CSC1CC(OC1=O)C 62a_100009816398_200000216747 [0,2,0,0,0,0|0,0,2]=4 780 B13R1.596 CC[C@H](C)CSC1CC(OC1=O)C 62a_200000216747_100009816398 [0,2,0,0,0,0|0,0,2]=4 781 B13R1.690 CCCC(C)NC1CC(OC1=O)C 2230a_100000741246_200000216747 [0,2,0,0,0,0|0,0,2]=4 782 B13R1.690 CCCC(C)OC1CC(OC1=O)C 34a_100000764384_200000216747 [0,2,0,0,0,0|0,0,2]=4 783 B13R1.690 CCCC(C)OC1CC(OC1=O)C 7a_100000764384_200000216747 [0,2,0,0,0,0|0,0,2]=4 784 B13R1.690 CCCC(C)SC1CC(OC1=O)C 62a_100000766640_200000216747 [0,2,0,0,0,0|0,0,2]=4 785 B13R1.690 CCCC(C)SC1CC(OC1=O)C 62a_200000216747_100000766640 [0,2,0,0,0,0|0,0,2]=4 786 B13R1.690 CCOC(C)CN1CC(OC1=O)C 34a_200000003947_100000210202 [0,2,0,0,0,0|1,0,1]=4 787 B13R1.3485 CC(Br)CCOC1CC(OC1=O)C 34a_100009893172_200000216747 [0,2,0,0,0,0|0,0,2]=4 788 B13R1.3485 CC(C)CCOC1CC(OC1=O)C 34a_100000210254_200000216747 [0,2,0,0,0,0|0,0,2]=4 789 B13R1.3485 CC(C)CCOC1CC(OC1=O)C 7a_100000210254_200000216747 [0,2,0,0,0,0|0,0,2]=4 790 B13R1.3485 CC(C)CCSC1CC(OC1=O)C 62a_100000210312_200000216747 [0,2,0,0,0,0|0,0,2]=4 791 B13R1.3485 CC(C)CCSC1CC(OC1=O)C 62a_200000216747_100000210312 [0,2,0,0,0,0|0,0,2]=4 792 B13R1.3485 CC(O)CCNC1CC(OC1=O)C 2230a_200000755665_200000216747 [0,2,0,0,0,0|0,0,2]=4 793 B13R1.3485 CC(O)CCSC1CC(OC1=O)C 62a_100012276601_200000216747 [0,2,0,0,0,0|0,0,2]=4 794 B13R1.3485 CC(O)CCSC1CC(OC1=O)C 62a_200000216747_100012276601 [0,2,0,0,0,0|0,0,2]=4 795 B13R1.3485 CC1CC(C(=O)O1)OCC[C@@H](C)N 34a_100000706166_200000216747 [0,2,0,0,0,0|0,0,2]=4 796 B13R1.3485 Cc1cc(c(o1)C)COCC(C)C 34a_100000688432_100000210624 [0,2,0,0,0,0|1,0,1]=4 797 B13R1.3485 Cc1cc(c(o1)C)COCC(C)C 7a_100000688432_100000210760 [0,2,0,0,0,0|1,0,1]=4 798 B13R1.3485 Cc1cc(c(o1)C)COCC(C)O 34a_100000688432_100011218427 [0,2,0,0,0,0|1,0,1]=4 799 B13R1.3485 Cc1cc(c(o1)C)COCC(C)O 7a_100000688432_100011218427 [0,2,0,0,0,0|1,0,1]=4 800 B13R1.3485 Cc1cc(c(o1)C)COC[C@@H](C)O 34a_100000688432_100009817552 [0,2,0,0,0,0|1,0,1]=4 801 B13R1.3485 Cc1cc(c(o1)C)COC[C@@H](C)O 7a_100000688432_100009817552 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,0,1,1,0,0|1,0,1]=4 803 B11R1.117 FCOC1C=CCCCCC1 34a_100000688657_100015361967 [0,0,1,1,0,0|1,0,1]=4 804 B11R1.349 CCNC(=O)C(=O)C1CCC1 1458a_200011297158_100000749161 [0,0,1,1,0,0|2,0,0]=4 805 B11R1.349 CCOC(=O)C(=O)N1CCC1 11a_100000754969_100014798877 [0,0,1,1,0,0|2,0,0]=4 806 B11R1.349 CCOC(=O)C(=O)N1CCC1 240690a_100000754969_100014798877 [0,0,1,1,0,0|2,0,0]=4 807 B11R1.351 CCNC(=O)C(=O)CC1CC1 1458a_200011297158_100000742324 [0,0,1,1,0,0|2,0,0]=4 808 B11R1.351 CCOC(=O)C(=O)NC1CC1 1626a_100000212008_100014798877 [0,0,1,1,0,0|2,0,0]=4 809 B11R1.351 CCOC(=O)C(=O)NC1CC1 240690a_100000212008_100014798877 [0,0,1,1,0,0|2,0,0]=4 810 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,0,1,1,0,0|1,0,1]=4 811 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,0,1,1,0,0|1,0,1]=4 812 B13R2.141 Cc1cc(cc(=O)o1)OC2CC2 34a_100000210952_100000211595 [0,0,0,1,0,1|1,0,1]=4 813 B13R2.4666 CC1CC(C(=O)O1)N2CCCC2 2230a_100000188435_200000216747 [0,1,0,1,0,0|0,0,2]=4 814 B13R2.4666 CC1CC(C(=O)O1)N2CCCC2 269982a_100000188435_200000216747 [0,1,0,1,0,0|0,0,2]=4 815 B13R2.350 CC1CC(C(=O)O1)N2CCC2C 269982a_100000755817_200000216747 [0,1,0,1,0,0|0,0,2]=4 816 B13R2.350 CC1CC(C(=O)O1)N2CCC2C 34a_100000755817_200000216747 [0,1,0,1,0,0|0,0,2]=4 817 B13R2.3004 CC1CC(C(=O)O1)NCC2CC2 2230a_100000735609_200000216747 [0,1,0,1,0,0|0,0,2]=4 818 B13R2.3004 CC1CC(C(=O)O1)NCC2CC2 34a_100000735609_200000216747 [0,1,0,1,0,0|0,0,2]=4 819 B13R2.3004 CC1CC(C(=O)O1)OCC2CC2 34a_100000211283_200000216747 [0,1,0,1,0,0|0,0,2]=4 820 B13R2.3004 CC1CC(C(=O)O1)SCC2CC2 62a_100000756562_200000216747 [0,1,0,1,0,0|0,0,2]=4 821 B13R2.3004 CC1CC(C(=O)O1)SCC2CC2 62a_200000216747_100000742324 [0,1,0,1,0,0|0,0,2]=4 822 B13R2.3004 Cc1cc(c(o1)C)COC2CC2 34a_100000688432_100000211595 [0,1,0,1,0,0|1,0,1]=4 823 B13R2.3012 CC1CC(C(=O)O1)NC2CCC2 2230a_100000749019_200000216747 [0,1,0,1,0,0|0,0,2]=4 824 B13R2.3012 CC1CC(C(=O)O1)NC2CCC2 34a_100000749019_200000216747 [0,1,0,1,0,0|0,0,2]=4 825 B13R2.3012 CC1CC(C(=O)O1)OC2CCC2 34a_100000748187_200000216747 [0,1,0,1,0,0|0,0,2]=4 826 B13R2.3012 CC1CC(C(=O)O1)SC2CCC2 62a_200000216747_100000749161 [0,1,0,1,0,0|0,0,2]=4 827 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,0,1,0,1,0|0,0,2]=4 828 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,0,1,0,1,0|1,0,1]=4 829 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,0,1,0,1,0|1,0,1]=4 830 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,0,1,0,1,0|0,0,2]=4 831 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,0,1,0,1,0|0,0,2]=4 832 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,0,1,0,1,0|0,0,2]=4 833 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,0,1,0,1,0|1,0,1]=4 834 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,0,1,0,1,0|1,0,1]=4 835 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,0,1,0,1,0|1,0,1]=4 836 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 837 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 838 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 839 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,0,1,0,1,0|1,0,1]=4 840 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,0,1,0,1,0|2,0,0]=4 841 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,0,1,0,1,0|2,0,0]=4 842 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,0,1,0,1,0|2,0,0]=4 843 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,0,1,0,1,0|2,0,0]=4 844 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,0,1,0,1,0|2,0,0]=4 845 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,0,1,0,1,0|2,0,0]=4 846 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,0,1,0,1,0|2,0,0]=4 847 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,0,1,0,0,1|0,0,2]=4 848 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,0,1,0,0,1|0,0,2]=4 849 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [0,0,1,0,0,1|1,0,1]=4 850 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [0,0,1,0,0,1|1,0,1]=4 851 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [0,0,1,0,0,1|1,0,1]=4 852 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [0,0,1,0,0,1|1,0,1]=4 853 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [0,0,1,0,0,1|1,0,1]=4 854 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,0,1,0,0,1|1,0,1]=4 855 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,0,0,0,0,1|1,0,1]=4 856 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,0,0,0,0,1|1,0,1]=4 857 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,0,0,0,0,1|1,0,1]=4 858 B11R1.1 CCCCc1cnc(cn1)C 271570a_100020621405_100011999403 [1,0,0,0,0,1|1,0,1]=4 859 B11R1.1 CCCCc1cnc(nc1)C 271570a_100020621405_100000686985 [1,0,0,0,0,1|1,0,1]=4