0 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 2230a_100138425928_100016991246 [0,0,0,0,0,0|2,0,2]=4 1 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 2230a_200020676162_100000210206 [0,0,0,0,0,0|2,0,2]=4 2 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_100138425928_100016991246 [0,0,0,0,0,0|2,0,2]=4 3 B13R0.1398 CC(=CCC/C(=C/CNC(C)C)/C)C 34a_200020676162_100000210206 [0,0,0,0,0,0|2,0,2]=4 4 B13R0.1398 CC(=CCC/C(=C/COC(C)C)/C)C 34a_100000212225_100016991246 [0,0,0,0,0,0|2,0,2]=4 5 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100000210206_100016991246 [0,0,0,0,0,0|2,0,2]=4 6 B13R0.1398 CC(=CCC/C(=C/CSC(C)C)/C)C 62a_100016991246_100000210206 [0,0,0,0,0,0|2,0,2]=4 7 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 34a_100016990311_100000210206 [0,0,0,0,0,0|2,0,2]=4 8 B13R0.1398 CC(=CCC/C(=C\COC(C)C)/C)C 7a_100016990311_100000210206 [0,0,0,0,0,0|2,0,2]=4 9 B13R0.1398 CC(=CCCC(=O)C/C=C/C(C)C)C 1458a_100016292215_100011217483 [0,0,0,0,0,0|2,0,2]=4 10 B13R0.1398 CC(=CCCC(=O)C=CCN(C)C)C 1458a_100000754359_100011217483 [0,0,0,0,0,0|3,0,1]=4 11 B13R0.1398 CC(=CCCC(C)NCC=C(C)C)C 270004a_100000718196_100000765506 [0,0,0,0,0,0|2,0,2]=4 12 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 34a_100102619829_100000761012 [0,0,0,0,0,0|2,0,2]=4 13 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 7a_100102619829_100000761012 [0,0,0,0,0,0|2,0,2]=4 14 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,0,0,0,0,0|1,0,3]=4 15 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,0,0,0,0,0|1,0,1]=2 16 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,0,0,0,0,0|1,0,1]=2 17 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,0,0,0,0,0|1,0,1]=2 18 B13R0.1398 CC(=O)NCCC(=O)CCC=C(C)C 1458a_100000183196_100011217483 [0,0,0,0,0,0|2,0,2]=4 19 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,0,0,0,0,0|2,0,1]=3 20 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,0,0,0,0,0|2,0,2]=4 21 B13R0.1398 CC(=O)SCCC(=O)CCC=C(C)C 1458a_100000048949_100011217483 [0,0,0,0,0,0|2,0,2]=4 22 B12R0.233 C/C=C/C=CC(=O)CCC=C(C)C 1458a_100000185730_100011217483 [1,0,0,0,0,0|1,0,0]=2 23 B12R0.233 C/C=C/C=CC(=O)CCC=C(F)F 1458a_100000185730_200009816681 [1,0,0,0,0,0|3,0,0]=4 24 B12R0.233 C/C=C/C=CC(=O)CCCC(=O)C 1458a_100000185730_100011215641 [1,0,0,0,0,0|2,0,1]=4 25 B12R0.233 C/C=C/C=CC(=O)CCCC(C)C 1458a_100000185730_100011214892 [1,0,0,0,0,0|1,0,2]=4 26 B12R0.233 C/C=C/C=CC(=O)CCCN(C)C 1458a_100000185730_100000695564 [1,0,0,0,0,0|2,0,1]=4 27 B12R0.233 C/C=C/C=CC(=O)CCNC(=O)C 1458a_100000185730_100000189650 [1,0,0,0,0,0|3,0,0]=4 28 B12R0.233 C/C=C/C=CC(=O)CCOC(=O)C 1458a_100000185730_100009814007 [1,0,0,0,0,0|3,0,0]=4 29 B12R0.233 C/C=C/C=CC(=O)CCOC(C)C 1458a_100000185730_100000211751 [1,0,0,0,0,0|2,0,1]=4 30 B12R0.233 C/C=C/C=CC(=O)CCSC(C)C 1458a_100000185730_100000730970 [1,0,0,0,0,0|2,0,1]=4 31 B12R0.233 C/C=C/C=CC(=O)NCC=C(C)C 11a_100000718196_100000185730 [1,0,0,0,0,0|2,0,0]=3 32 B12R0.233 C/C=C/C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185730 [1,0,0,0,0,0|2,0,0]=3 33 B12R0.233 C/C=C/COC(C)CCC=C(C)C 34a_100102619829_100102629194 [1,0,0,0,0,0|1,0,2]=4 34 B12R0.233 C/C=C/COC(C)CCC=C(C)C 7a_100102619829_100102629194 [1,0,0,0,0,0|1,0,2]=4 35 B12R0.233 CC/C=C/CC(=O)CCC=C(C)C 1458a_100016274230_100011217483 [1,0,0,0,0,0|1,0,2]=4 36 B12R0.233 CC=CCOC(C)CCC=C(C)C 34a_100102619829_100000070051 [1,0,0,0,0,0|1,0,2]=4 37 B12R0.233 CC=CCOC(C)CCC=C(C)C 7a_100102619829_100000070051 [1,0,0,0,0,0|1,0,2]=4 38 B12R0.233 CCCC=CC(=O)CCC=C(C)C 1458a_100000212230_100011217483 [1,0,0,0,0,0|1,0,2]=4 39 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_100015525214_100016991246 [1,0,0,0,0,0|1,0,2]=4 40 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210202 [1,0,0,0,0,0|1,0,2]=4 41 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210202 [1,0,0,0,0,0|1,0,2]=4 42 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [1,0,0,0,0,0|1,0,2]=4 43 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [1,0,0,0,0,0|1,0,2]=4 44 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [1,0,0,0,0,0|1,0,2]=4 45 B12R0.233 CCOC=CC(=O)CCC=C(C)C 1458a_100016266692_100011217483 [1,0,0,0,0,0|2,0,1]=4 46 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100000210202_100016991246 [1,0,0,0,0,0|1,0,2]=4 47 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210202 [1,0,0,0,0,0|1,0,2]=4 48 B12R0.233 COCC=CC(=O)CCC=C(C)C 1458a_100016285016_100011217483 [1,0,0,0,0,0|2,0,1]=4 49 B14R0.222 C=C(C)C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185857_100016991246 [0,1,0,0,0,0|1,0,1]=3 50 B14R0.222 CC(=CCC/C(=C/CC(=O)C(C)C)/C)C 1458a_100000210198_100016991246 [0,1,0,0,0,0|1,0,2]=4 51 B14R0.222 CC(=CCC/C(=C/CC(=O)C(C)F)/C)C 1458a_100000062450_100016991246 [0,1,0,0,0,0|1,0,2]=4 52 B14R0.222 CC(=CCC/C(=C/CC(=O)[C@@H](C)O)/C)C 1458a_100000717761_100016991246 [0,1,0,0,0,0|0,0,3]=4 53 B14R0.222 CC(=CCC/C(=C/CC(=O)[C@H](C)O)/C)C 1458a_217856618621_100016991246 [0,1,0,0,0,0|0,0,3]=4 54 B14R0.222 CC(=CCCC(=NNC(=O)C(=O)N)C)C 4a_100000211141_100000765506 [0,1,0,0,0,0|3,0,0]=4 55 B14R0.222 CC(=CCCC(=O)C=CC(=O)N(C)C)C 1458a_100011200747_100011217483 [0,1,0,0,0,0|3,0,0]=4 56 B14R0.222 CC(=O)C(=O)COC(C)CCC=C(C)C 34a_100102619829_100011261029 [0,1,0,0,0,0|1,0,2]=4 57 B14R0.304 C=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185746 [0,1,0,0,0,0|1,0,2]=4 58 B14R0.304 CC(=CCC/C(=C/CNC(=O)CO)/C)C 527a_200020676162_100000210174 [0,1,0,0,0,0|1,0,1]=3 59 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210414 [0,1,0,0,0,0|1,0,1]=3 60 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210414 [0,1,0,0,0,0|1,0,1]=3 61 B14R0.304 CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210414 [0,1,0,0,0,0|1,0,1]=3 62 B14R0.304 CCC(=O)NN=CC(C)CCC=C(C)C 4a_100000183195_100000033009 [0,1,0,0,0,0|2,0,1]=4 63 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100102657272_200020676162 [0,1,0,0,0,0|1,0,1]=3 64 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_106832991635 [0,1,0,0,0,0|1,0,1]=3 65 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100102657272_200020676162 [0,1,0,0,0,0|1,0,1]=3 66 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100102657272 [0,1,0,0,0,0|1,0,1]=3 67 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_106832991638_200020676162 [0,1,0,0,0,0|1,0,1]=3 68 B14R0.304 CNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100102657272 [0,1,0,0,0,0|1,0,1]=3 69 B14R0.426 C=C(C)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000748629 [0,1,0,0,0,0|1,0,1]=3 70 B14R0.426 C=C(F)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100009893438 [0,1,0,0,0,0|1,0,2]=4 71 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)N)C)C 1458a_100016995320_100000187820 [0,1,0,0,0,0|1,0,1]=3 72 B14R0.426 CC(=CCCC(=CC(=O)CC(=O)[O-])C)C 1458a_100016995320_100020667443 [0,1,0,0,0,0|1,0,1]=3 73 B14R0.426 CC(=CCCC(=CC(=O)CC(C)C)C)C 1458a_100016995320_100000210624 [0,1,0,0,0,0|1,0,2]=4 74 B14R0.426 CC(=CCCC(=CC(=O)CC(C)O)C)C 1458a_100016995320_100011218427 [0,1,0,0,0,0|0,0,3]=4 75 B14R0.426 CC(=CCCC(=CC(=O)C[N+](=O)[O-])C)C 1458a_100016995320_100000761209 [0,1,0,0,0,0|2,0,1]=4 76 B14R0.426 CC(=CCCC(=CC(=O)NC(C)C)C)C 11a_100138425928_100016995320 [0,1,0,0,0,0|2,0,1]=4 77 B14R0.426 CC(=CCCC(=CC(=O)NC(C)C)C)C 1626a_100138425928_100016995320 [0,1,0,0,0,0|2,0,1]=4 78 B14R0.426 CC(=CCCC(=CC(=O)NC(C)C)C)C 240690a_100138425928_100016995320 [0,1,0,0,0,0|2,0,1]=4 79 B14R0.2691 CC(=CCC/C(=C/CNS(=O)(=O)C)/C)C 40a_200020676162_100000738038 [0,1,0,0,0,0|2,0,1]=4 80 B14R1.164 CC(=Cc1nc(ccc1C(=O)N)C)C 271570a_100102525489_100000041523 [0,0,0,1,0,0|2,0,1]=4 81 B14R1.164 CC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_100012353930 [0,0,0,1,0,0|0,0,2]=3 82 B14R1.164 CC(=O)c1ccc(cc1C=C(C)C)F 271570a_100102525489_100000686192 [0,0,0,1,0,0|1,0,2]=4 83 B14R1.164 CC(=O)c1ccc(cc1C=C(C)C)O 271570a_100102525489_100012340537 [0,0,0,1,0,0|1,0,2]=4 84 B14R1.6314 CC(=CCSc1ccc(s1)C(=O)N)C 62a_100000162267_100000761012 [0,0,0,1,0,0|3,0,0]=4 85 B14R1.6314 CC(=O)c1cc(cs1)SCC=C(C)C 62a_100000718618_100000761012 [0,0,0,1,0,0|2,0,1]=4 86 B14R1.6314 CC(=O)c1cc(cs1)SCC=C(C)C 62a_100000761012_100000718618 [0,0,0,1,0,0|2,0,1]=4 87 B14R1.6314 CC(=O)c1ccc([nH]1)SCC=C(C)C 62a_200010494458_100000761012 [0,0,0,1,0,0|2,0,0]=3 88 B14R1.6314 CC(=O)c1ccc(o1)SCC=C(C)C 62a_100000761012_100000229899 [0,0,0,1,0,0|2,0,0]=3 89 B14R1.6314 CC(=O)c1ccc(s1)SCC=C(C)C 62a_100000183331_100000761012 [0,0,0,1,0,0|2,0,0]=3 90 B14R1.6314 CC(=O)c1ccc(s1)SCC=C(C)C 62a_100000761012_200000034408 [0,0,0,1,0,0|2,0,0]=3 91 B14R1.6314 CC(=O)c1cnc(s1)NCC=C(C)C 27a_100000718196_200010173910 [0,0,0,1,0,0|3,0,0]=4 92 B14R1.6314 CC(=O)c1cnc(s1)SCC=C(C)C 62a_100000761012_200010173910 [0,0,0,1,0,0|3,0,0]=4 93 B14R1.6314 CC(=O)c1cnc(s1)SCC=C(C)C 62a_200010173910_100000761012 [0,0,0,1,0,0|3,0,0]=4 94 B14R1.6314 CC(=O)c1csc(c1)SCC=C(C)C 62a_100000761012_200012344231 [0,0,0,1,0,0|2,0,1]=4 95 B14R1.6314 CC(=O)c1csc(c1)SCC=C(C)C 62a_200012344231_100000761012 [0,0,0,1,0,0|2,0,1]=4 96 B14R1.6314 CC(=O)c1nc(cs1)SCC=C(C)C 62a_100000761012_100010231720 [0,0,0,1,0,0|3,0,0]=4 97 B14R1.6314 CC(=O)c1nc(cs1)SCC=C(C)C 62a_100010231720_100000761012 [0,0,0,1,0,0|3,0,0]=4 98 B14R1.6314 CC(=O)c1ncc(s1)SCC=C(C)C 62a_100000693680_100000761012 [0,0,0,1,0,0|3,0,0]=4 99 B14R1.6314 CC(=O)c1ncc(s1)SCC=C(C)C 62a_100000761012_100000693680 [0,0,0,1,0,0|3,0,0]=4 100 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 2230a_100102631434_100016991246 [0,0,0,0,1,0|2,0,1]=4 101 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 269982a_100102631434_100016991246 [0,0,0,0,1,0|2,0,1]=4 102 B12R0.44 CC(=CCCC(=O)C=CC(C)C)C 1458a_100016268746_100011217483 [0,0,0,0,1,0|2,0,1]=4 103 B12R0.44 CC(=CCCC(=O)CC=C(C)C)C 1458a_100011220947_100011217483 [0,0,0,0,1,0|2,0,1]=4 104 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,0,0,0,1,0|0,0,1]=2 105 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,0,0,1,0|0,0,3]=4 106 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,1,0|2,0,1]=4 107 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,0,0,0,1,0|2,0,0]=3 108 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,1,0|2,0,1]=4 109 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,1,0|2,0,1]=4 110 B14R0.67 C=C(C)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000748629 [0,0,0,0,0,1|1,0,2]=4 111 B14R0.67 C=C(C)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000748629 [0,0,0,0,0,1|1,0,2]=4 112 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000748629 [0,0,0,0,0,1|1,0,2]=4 113 B14R0.67 C=C(C)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000748629 [0,0,0,0,0,1|1,0,2]=4 114 B14R0.67 C=C(C)COC/C=C(\C)/CCC=C(C)C 34a_100000210245_100016991246 [0,0,0,0,0,1|1,0,2]=4 115 B14R0.67 C=C(C)CSC/C=C(\C)/CCC=C(C)C 62a_100000748629_100016991246 [0,0,0,0,0,1|1,0,2]=4 116 B14R0.67 C=C(C)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000211660 [0,0,0,0,0,1|1,0,2]=4 117 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 2230a_100000711301_100016991246 [0,0,0,0,0,1|1,0,2]=4 118 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 2230a_200020676162_100000747473 [0,0,0,0,0,1|1,0,2]=4 119 B14R0.67 CC(=CCC/C(=C/CNCC(=O)N)/C)C 34a_200020676162_100000187820 [0,0,0,0,0,1|1,0,2]=4 120 B14R0.67 CC(=CCC/C(=C/CNCC(=O)O)/C)C 269956a_100016091260_100016991246 [0,0,0,0,0,1|1,0,2]=4 121 B14R0.67 CC(=CCC/C(=C/CNCC(=O)[O-])/C)C 34a_200020676162_100020667443 [0,0,0,0,0,1|1,0,2]=4 122 B14R0.67 CC(=CCC/C(=C/CSCC(=O)N)/C)C 62a_100000747473_100016991246 [0,0,0,0,0,1|1,0,2]=4 123 B14R0.67 CC(=CCC/C(=C/CSCC(=O)N)/C)C 62a_100016991246_100000747473 [0,0,0,0,0,1|1,0,2]=4 124 B14R0.67 CC(=CCC/C(=C/CSCC(=O)[O-])/C)C 62a_100016991246_100020667443 [0,0,0,0,0,1|1,0,2]=4 125 B14R0.67 CC(=CCC/C(=C/CSCC(=O)[O-])/C)C 62a_100020667443_100016991246 [0,0,0,0,0,1|1,0,2]=4 126 B14R0.67 CC(=CCC/C(=C\COCC(=O)N)/C)C 34a_100016990311_100000187820 [0,0,0,0,0,1|1,0,2]=4 127 B14R0.67 CC(=CCC/C(=C\COCC(=O)N)/C)C 7a_100016990311_100000187820 [0,0,0,0,0,1|1,0,2]=4 128 B14R0.67 CC(=CCC/C(=C\COCC(=O)[O-])/C)C 34a_100016990311_100020667443 [0,0,0,0,0,1|1,0,2]=4 129 B14R0.67 CC(=CCCC(=CC=NNC(C)C)C)C 4a_100000741168_100000211119 [0,0,0,0,0,1|2,0,1]=4 130 B14R0.67 CC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000211253_100016991246 [0,0,0,0,0,1|0,0,2]=3 131 B14R0.67 CC(=O)NN=CC=C(C)CCC=C(C)C 4a_100000189765_100000211119 [0,0,0,0,0,1|1,0,0]=2 132 B14R0.67 CC(=O)NN=CCC(C)CCC=C(C)C 4a_100000189765_100000212096 [0,0,0,0,0,1|1,0,2]=4 133 B11R0.147 C=CC=CC(=O)CCC=C(C)C 1458a_100016291481_100011217483 [2,0,0,0,0,0|1,0,0]=3 134 B11R0.147 C=CC=CC(=O)NCC=C(C)C 1626a_100000718196_100016291481 [2,0,0,0,0,0|2,0,0]=4 135 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [2,0,0,0,0,0|1,0,1]=4 136 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [2,0,0,0,0,0|1,0,1]=4 137 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [2,0,0,0,0,0|1,0,1]=4 138 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [2,0,0,0,0,0|1,0,1]=4 139 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [2,0,0,0,0,0|1,0,1]=4 140 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [2,0,0,0,0,0|1,0,1]=4 141 B11R0.147 CC=CCC(=O)CCC=C(C)C 1458a_100121576822_100011217483 [2,0,0,0,0,0|1,0,1]=4 142 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [2,0,0,0,0,0|1,0,1]=4 143 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [2,0,0,0,0,0|1,0,1]=4 144 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [2,0,0,0,0,0|1,0,1]=4 145 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [2,0,0,0,0,0|1,0,1]=4 146 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [2,0,0,0,0,0|1,0,1]=4 147 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [2,0,0,0,0,0|1,0,1]=4 148 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [2,0,0,0,0,0|1,0,1]=4 149 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [2,0,0,0,0,0|1,0,1]=4 150 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [2,0,0,0,0,0|1,0,1]=4 151 B11R0.147 COC=CC(=O)CCC=C(C)C 1458a_100016268678_100011217483 [2,0,0,0,0,0|2,0,0]=4 152 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [2,0,0,0,0,0|1,0,1]=4 153 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [2,0,0,0,0,0|1,0,1]=4 154 B11R0.148 C/C=C/C=C/COCC=C(C)C 34a_100016283227_100000761012 [2,0,0,0,0,0|1,0,1]=4 155 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 2230a_200020676162_200015260668 [1,1,0,0,0,0|0,0,2]=4 156 B13R0.1 CC(=CCC/C(=C/CNCC=O)/C)C 34a_200020676162_200009817547 [1,1,0,0,0,0|0,0,2]=4 157 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_100016991246_200015260668 [1,1,0,0,0,0|0,0,2]=4 158 B13R0.1 CC(=CCC/C(=C/CSCC=O)/C)C 62a_200015260668_100016991246 [1,1,0,0,0,0|0,0,2]=4 159 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 34a_100016990311_200009817547 [1,1,0,0,0,0|0,0,2]=4 160 B13R0.1 CC(=CCC/C(=C\COCC=O)/C)C 7a_100016990311_200015260668 [1,1,0,0,0,0|0,0,2]=4 161 B13R0.1 CCNN=CC=C(C)CCC=C(C)C 4a_100000756455_100000211119 [1,1,0,0,0,0|1,0,1]=4 162 B13R0.331 C=CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210623 [1,1,0,0,0,0|0,0,2]=4 163 B13R0.331 CCCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210303 [1,1,0,0,0,0|0,0,2]=4 164 B13R0.331 CCNC(=O)C=C(C)CCC=C(C)C 11a_100015525214_100016995320 [1,1,0,0,0,0|1,0,1]=4 165 B13R0.331 CCNC(=O)C=C(C)CCC=C(C)C 240690a_100015525214_100016995320 [1,1,0,0,0,0|1,0,1]=4 166 B13R0.331 CNNC(=O)C=C(C)CCC=C(C)C 22a_100016993582_100016995320 [1,1,0,0,0,0|2,0,0]=4 167 B13R0.493 C=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185746_100016991246 [1,1,0,0,0,0|0,0,2]=4 168 B13R0.493 CC=C(C)C=CC(=O)CCC=C(C)C 1458a_100000692105_100011217483 [1,1,0,0,0,0|1,0,0]=3 169 B13R0.493 CC=C(C)C=CC(=O)NCC=C(C)C 1626a_100000718196_100000692105 [1,1,0,0,0,0|2,0,0]=4 170 B13R0.493 CCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210414_100016991246 [1,1,0,0,0,0|0,0,2]=4 171 B13R0.493 CNC(=O)C=CC(=O)CCC=C(C)C 1458a_100016259477_100011217483 [1,1,0,0,0,0|2,0,0]=4 172 B13R0.202 COC(=O)/C=C/CSCCC=C(C)C 62a_100000742655_100011217483 [1,1,0,0,0,0|1,0,1]=4 173 B13R0.202 COC(=O)/C=C/CSCCC=C(C)C 62a_100011217483_100000742655 [1,1,0,0,0,0|1,0,1]=4 174 B13R0.444 CC(=CCCC(=CC(=O)C(C)C)C)C 1458a_100016995320_100000210206 [0,1,0,0,1,0|1,0,1]=4 175 B13R0.444 CC(=CCCC(=CC(=O)N(C)C)C)C 11a_100102631434_100016995320 [0,1,0,0,1,0|2,0,0]=4 176 B13R0.444 CC(=CCCC(=CC(=O)N(C)C)C)C 1626a_100102631434_100016995320 [0,1,0,0,1,0|2,0,0]=4 177 B13R0.444 CC(=CCCC(=CC(=O)N(C)C)C)C 240690a_100102631434_100016995320 [0,1,0,0,1,0|2,0,0]=4 178 B15R0.246 CCC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747405 [0,1,0,0,0,1|0,0,2]=4 179 B15R0.246 CCC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000725409_100016991246 [0,1,0,0,0,1|0,0,2]=4 180 B15R0.246 CCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000747405_100016991246 [0,1,0,0,0,1|0,0,2]=4 181 B15R0.246 CCC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000747405 [0,1,0,0,0,1|0,0,2]=4 182 B15R0.246 CCC(=O)NN=CC=C(C)CCC=C(C)C 4a_100000183195_100000211119 [0,1,0,0,0,1|1,0,0]=3 183 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_100000693194_100016991246 [0,1,0,0,0,1|0,0,2]=4 184 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000183359 [0,1,0,0,0,1|0,0,2]=4 185 B15R0.246 CNC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000183359 [0,1,0,0,0,1|0,0,2]=4 186 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000183359 [0,1,0,0,0,1|0,0,2]=4 187 B15R0.246 CNC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000183359 [0,1,0,0,0,1|0,0,2]=4 188 B15R0.246 CNC(=O)COC/C=C(\C)/CCC=C(C)C 34a_100000750040_100016991246 [0,1,0,0,0,1|0,0,2]=4 189 B15R0.246 CNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000183359_100016991246 [0,1,0,0,0,1|0,0,2]=4 190 B15R0.246 CNC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000183359 [0,1,0,0,0,1|0,0,2]=4 191 B15R0.246 COC(=O)/C=C/COC(C)CCC=C(C)C 34a_100102619829_100000742655 [0,1,0,0,0,1|0,0,2]=4 192 B15R0.246 COC(=O)/C=C/COC(C)CCC=C(C)C 7a_100102619829_100000742655 [0,1,0,0,0,1|0,0,2]=4 193 B15R0.246 COC(=O)CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000747449 [0,1,0,0,0,1|0,0,2]=4 194 B15R0.246 COC(=O)CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000747449 [0,1,0,0,0,1|0,0,2]=4 195 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000747449 [0,1,0,0,0,1|0,0,2]=4 196 B15R0.246 COC(=O)COC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000747449 [0,1,0,0,0,1|0,0,2]=4 197 B15R0.246 COC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100000747449_100016991246 [0,1,0,0,0,1|0,0,2]=4 198 B15R0.246 COC(=O)CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000747449 [0,1,0,0,0,1|0,0,2]=4 199 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)C)/C)C 1458a_100000211388_100016991246 [0,1,0,0,0,1|1,0,0]=3 200 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)Cl)/C)C 1458a_200042562850_100016991246 [0,1,0,0,0,1|1,0,0]=3 201 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(C)I)/C)C 1458a_100025716642_100016991246 [0,1,0,0,0,1|1,0,0]=3 202 B15R0.2721 CC(=CCC/C(=C/CC(=O)C=C(Cl)Cl)/C)C 1458a_100000137448_100016991246 [0,1,0,0,0,1|2,0,0]=4 203 B15R0.2721 CC(=CCC/C(=C/CC(=O)CC(=O)N)/C)C 1458a_100134613110_100016991246 [0,1,0,0,0,1|1,0,1]=4 204 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000185857 [0,1,0,0,0,1|1,0,1]=4 205 B15R0.2722 C=C(C)C(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000185857 [0,1,0,0,0,1|1,0,1]=4 206 B15R0.2722 CC(=O)C(C)NC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100009814033 [0,1,0,0,0,1|0,0,2]=4 207 B15R0.2722 CC(=O)C(C)OC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000179758 [0,1,0,0,0,1|0,0,2]=4 208 B15R0.2722 CC(=O)C(C)OC/C=C(\C)/CCC=C(C)C 34a_100000212229_100016991246 [0,1,0,0,0,1|0,0,2]=4 209 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100009814033_100016991246 [0,1,0,0,0,1|0,0,2]=4 210 B15R0.2722 CC(=O)C(C)SC/C=C(\C)/CCC=C(C)C 62a_100016991246_100009814033 [0,1,0,0,0,1|0,0,2]=4 211 B15R0.2724 C=C(C)CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000730704 [0,1,0,0,0,1|1,0,1]=4 212 B15R0.2724 C=C(C)CNC(=O)C=C(C)CCC=C(C)C 11a_100000765925_100016995320 [0,1,0,0,0,1|1,0,1]=4 213 B15R0.2724 C=C(C)CNC(=O)C=C(C)CCC=C(C)C 1626a_100000765925_100016995320 [0,1,0,0,0,1|1,0,1]=4 214 B15R0.2724 C=C(C)CNC(=O)C=C(C)CCC=C(C)C 240690a_100000765925_100016995320 [0,1,0,0,0,1|1,0,1]=4 215 B15R0.2724 CC(=CCCC(=CC(=O)CC=C(C)C)C)C 1458a_100016995320_100000761012 [0,1,0,0,0,1|1,0,0]=3 216 B15R0.2724 CC(=CCCC(=CC(=O)NCC(=O)N)C)C 11a_100000711301_100016995320 [0,1,0,0,0,1|1,0,1]=4 217 B15R0.2724 CC(=CCCC(=CC(=O)NCC(=O)N)C)C 240690a_100000711301_100016995320 [0,1,0,0,0,1|1,0,1]=4 218 B15R0.2724 CC(=O)NNC(=O)C=C(C)CCC=C(C)C 22a_100000189765_100016995320 [0,1,0,0,0,1|1,0,0]=3 219 B15R0.1697 C/C=C(\C)/C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100020587367_100016991246 [0,2,0,0,0,0|1,0,1]=4 220 B15R0.1697 CNC(=O)C(=O)C/C=C(\C)/CCC=C(C)C 1458a_100011218921_100016991246 [0,2,0,0,0,0|0,0,1]=3 221 B15R0.2637 CC(=CCCC(=CC(=O)C(C)C(=O)N)C)C 1458a_100016995320_100000702099 [0,2,0,0,0,0|1,0,1]=4 222 B15R0.2637 CC(=CCCC(=CC(=O)C(F)C(=O)N)C)C 1458a_100016995320_100009813875 [0,2,0,0,0,0|1,0,1]=4 223 B15R0.2637 CC(=CCCC(=CC(=O)C(F)C(=O)[O-])C)C 1458a_100016995320_100020610796 [0,2,0,0,0,0|1,0,1]=4 224 B15R0.2637 CC(=O)C(C)C(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000179758 [0,2,0,0,0,0|0,0,1]=3 225 B15R0.110 C#CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100011220946 [0,2,0,0,0,0|1,0,1]=4 226 B15R0.110 C#CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100011220946 [0,2,0,0,0,0|1,0,1]=4 227 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210193 [0,2,0,0,0,0|1,0,1]=4 228 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210193 [0,2,0,0,0,0|1,0,1]=4 229 B15R0.110 C=CCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210193 [0,2,0,0,0,0|1,0,1]=4 230 B15R0.110 CC(=CCC/C(=C/CNC(=O)CC#N)/C)C 1626a_200020676162_100051588842 [0,2,0,0,0,0|1,0,1]=4 231 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210699 [0,2,0,0,0,0|1,0,1]=4 232 B15R0.110 CC=CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210699 [0,2,0,0,0,0|1,0,1]=4 233 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000211992 [0,2,0,0,0,0|1,0,1]=4 234 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000211992 [0,2,0,0,0,0|1,0,1]=4 235 B15R0.110 CCCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000211992 [0,2,0,0,0,0|1,0,1]=4 236 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_100015525214_200020676162 [0,2,0,0,0,0|1,0,1]=4 237 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 2708a_200020676162_100015525214 [0,2,0,0,0,0|1,0,1]=4 238 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_100015525214_200020676162 [0,2,0,0,0,0|1,0,1]=4 239 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100015525214 [0,2,0,0,0,0|1,0,1]=4 240 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_100015525214_200020676162 [0,2,0,0,0,0|1,0,1]=4 241 B15R0.110 CCNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100015525214 [0,2,0,0,0,0|1,0,1]=4 242 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 273464a_200020676162_100016993582 [0,2,0,0,0,0|1,0,1]=4 243 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_100016993582_200020676162 [0,2,0,0,0,0|1,0,1]=4 244 B15R0.110 CNNC(=O)NC/C=C(\C)/CCC=C(C)C 512a_200020676162_100016993582 [0,2,0,0,0,0|1,0,1]=4 245 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000210968 [0,2,0,0,0,0|1,0,1]=4 246 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000210968 [0,2,0,0,0,0|1,0,1]=4 247 B15R0.110 COCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000210968 [0,2,0,0,0,0|1,0,1]=4 248 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100000184570 [0,2,0,0,0,0|1,0,1]=4 249 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100000184570 [0,2,0,0,0,0|1,0,1]=4 250 B15R0.110 CSCC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100000184570 [0,2,0,0,0,0|1,0,1]=4 251 B15R0.303 CCC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000747405 [0,2,0,0,0,0|0,0,1]=3 252 B15R0.303 CNC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000183359 [0,2,0,0,0,0|0,0,1]=3 253 B15R0.303 COC(=O)CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000747449 [0,2,0,0,0,0|0,0,1]=3 254 B15R0.2653 CC(=CCCC(=CC(=O)NS(=O)(=O)C)C)C 2740a_100000171171_100016995320 [0,2,0,0,0,0|2,0,0]=4 255 B13R1.60 CC(=CCSc1ccc([nH]1)C=O)C 62a_100000761012_100009875417 [1,0,0,1,0,0|2,0,0]=4 256 B13R1.60 CC(=CCSc1ccc(o1)C=O)C 62a_100000761012_100000186757 [1,0,0,1,0,0|2,0,0]=4 257 B13R1.60 CC(=CCSc1ccc(s1)C=O)C 62a_100000179771_100000761012 [1,0,0,1,0,0|2,0,0]=4 258 B13R1.60 CC(=CCSc1ccc(s1)C=O)C 62a_100000761012_100000179771 [1,0,0,1,0,0|2,0,0]=4 259 B13R1.149 CC(=CCNc1cccc(c1)C)C 2230a_100000188690_100000761012 [1,0,0,1,0,0|1,0,1]=4 260 B13R1.149 CC(=CCNc1cccc(c1)C)C 34a_100000188690_100000761012 [1,0,0,1,0,0|1,0,1]=4 261 B13R1.149 CC(=CCOc1cccc(=O)[nH]1)C 34a_100000033347_100000761012 [1,0,0,1,0,0|2,0,0]=4 262 B13R1.149 CC(=CCOc1cccc(c1)C)C 34a_100000210337_100000761012 [1,0,0,1,0,0|1,0,1]=4 263 B13R1.149 CC(=CCOc1cccc(c1)C)C 7a_100000210337_100000761012 [1,0,0,1,0,0|1,0,1]=4 264 B13R1.149 CC(=CCSc1cccc(=O)[nH]1)C 62a_100000761012_100000752884 [1,0,0,1,0,0|2,0,0]=4 265 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100000761012_100011215228 [1,0,0,1,0,0|1,0,1]=4 266 B13R1.149 CC(=CCSc1cccc(c1)C)C 62a_100011215228_100000761012 [1,0,0,1,0,0|1,0,1]=4 267 B13R1.149 CC(=CCSc1cccc(n1)C)C 62a_100000742759_100000761012 [1,0,0,1,0,0|2,0,0]=4 268 B13R1.149 CC(=CCSc1cccc(n1)C)C 62a_100000761012_100000742759 [1,0,0,1,0,0|2,0,0]=4 269 B13R1.356 CC=Cc1cc(ccc1C(=O)C)C 271570a_100016259895_100012353930 [1,0,0,1,0,0|0,0,2]=4 270 B13R1.658 C/C=C/CSc1ccc([nH]1)C(=O)C 62a_200010494458_100102629194 [1,0,0,1,0,0|2,0,0]=4 271 B13R1.658 C/C=C/CSc1ccc(o1)C(=O)C 62a_100102629194_100000229899 [1,0,0,1,0,0|2,0,0]=4 272 B13R1.658 C/C=C/CSc1ccc(s1)C(=O)C 62a_100000183331_100102629194 [1,0,0,1,0,0|2,0,0]=4 273 B13R1.658 C/C=C/CSc1ccc(s1)C(=O)C 62a_100102629194_200000034408 [1,0,0,1,0,0|2,0,0]=4 274 B13R1.658 CC=CCSc1ccc([nH]1)C(=O)C 62a_200010494458_100000070051 [1,0,0,1,0,0|2,0,0]=4 275 B13R1.658 CC=CCSc1ccc(o1)C(=O)C 62a_100000070051_100000229899 [1,0,0,1,0,0|2,0,0]=4 276 B13R1.658 CC=CCSc1ccc(s1)C(=O)C 62a_100000070051_200000034408 [1,0,0,1,0,0|2,0,0]=4 277 B13R1.658 CC=CCSc1ccc(s1)C(=O)C 62a_100000183331_100000070051 [1,0,0,1,0,0|2,0,0]=4 278 B13R1.3089 CC(=Cc1cc(ccc1C=O)C)C 271570a_100102525489_100000692596 [1,0,0,1,0,0|0,0,2]=4 279 B13R1.3089 CC(=Cc1nc(ccc1C=O)C)C 271570a_100102525489_100000085379 [1,0,0,1,0,0|1,0,1]=4 280 B13R1.128 CC(=CCCSc1ccc(s1)C)C 62a_100000031368_100011217483 [1,0,0,1,0,0|1,1,0]=4 281 B13R1.128 CC(=CCCSc1ccc(s1)C)C 62a_100011217483_100000031368 [1,0,0,1,0,0|1,1,0]=4 282 B13R1.589 CC(=O)c1ccccc1C=C(C)C 271570a_100102525489_100000751169 [1,0,0,1,0,0|0,0,2]=4 283 B13R1.589 CC(=O)c1cccnc1C=C(C)C 271570a_100102525489_100000753718 [1,0,0,1,0,0|1,0,1]=4 284 B13R1.165 C=C(C)c1cc(ccc1C(=O)C)C 271570a_100000694244_100012353930 [0,0,0,1,1,0|0,0,2]=4 285 B15R1.5468 CC(=CCCC(=Cc1noc(n1)C)C)C 270196a_200016990163_100000070787 [0,0,0,1,0,1|2,0,0]=4 286 B15R1.5468 CC(=CCCN(C)Cc1ccc(o1)C)C 2230a_100000184526_100011217483 [0,0,0,1,0,1|1,0,1]=4 287 B15R1.5468 CC(=CCCN(C)Cc1ccc(o1)C)C 269982a_100000184526_100011217483 [0,0,0,1,0,1|1,0,1]=4 288 B15R1.5468 CC(=CCCN(C)Cc1ccc(o1)C)C 34a_100000184526_100011217483 [0,0,0,1,0,1|1,0,1]=4 289 B15R1.5468 CC(=CCCN(C)Cc1ccc(s1)C)C 2230a_100000751125_100011217483 [0,0,0,1,0,1|1,1,0]=4 290 B15R1.5468 CC(=CCCN(C)Cc1ccc(s1)C)C 269982a_100000751125_100011217483 [0,0,0,1,0,1|1,1,0]=4 291 B15R1.5483 CC(=CCNCC(=O)c1ccc(s1)C)C 34a_100000718196_100011262362 [0,0,0,1,0,1|1,1,0]=4 292 B15R1.5483 CC(=CCOCC(=O)c1ccc(s1)C)C 34a_100000753907_100011262362 [0,0,0,1,0,1|1,1,0]=4 293 B15R1.5483 CC(=CCSCC(=O)c1ccc(s1)C)C 62a_100000761012_100011262362 [0,0,0,1,0,1|1,1,0]=4 294 B15R1.5483 CC(=CCSCC(=O)c1ccc(s1)C)C 62a_100011262362_100000761012 [0,0,0,1,0,1|1,1,0]=4 295 B15R1.5836 CC(=O)Nc1ccc(cc1C=C(C)C)C 271570a_100102525489_100000152032 [0,0,0,1,0,1|0,0,2]=4 296 B15R1.8273 CC(=CCCC(=O)c1cccc(c1)C)C 1458a_100000189346_100011217483 [0,0,0,1,0,1|2,0,0]=4 297 B15R1.8273 CC(=CCCN(C)c1cccc(c1)C)C 2230a_100000219674_100011217483 [0,0,0,1,0,1|2,0,0]=4 298 B15R1.8273 CC(=CCCN(C)c1cccc(c1)C)C 269982a_100000219674_100011217483 [0,0,0,1,0,1|2,0,0]=4 299 B15R1.8273 CC(=CCCN(C)c1cccc(c1)C)C 34a_100000219674_100011217483 [0,0,0,1,0,1|2,0,0]=4 300 B15R1.8879 CC(=O)Nc1ccc(s1)SCC=C(C)C 62a_100000761012_100010002808 [0,0,0,1,0,1|2,0,0]=4 301 B15R1.8923 CC(=CCCSc1ccc(s1)C(=O)N)C 62a_100000162267_100011217483 [0,0,0,1,0,1|2,0,0]=4 302 B15R1.8923 CC(=O)c1cc(cs1)CNCC=C(C)C 34a_100000718196_200000067479 [0,0,0,1,0,1|1,0,1]=4 303 B15R1.8923 CC(=O)c1cc(cs1)COCC=C(C)C 34a_100000753907_200000067479 [0,0,0,1,0,1|1,0,1]=4 304 B15R1.8923 CC(=O)c1cc(cs1)CSCC=C(C)C 62a_100000761012_200000067479 [0,0,0,1,0,1|1,0,1]=4 305 B15R1.8923 CC(=O)c1cc(cs1)CSCC=C(C)C 62a_200000067479_100000761012 [0,0,0,1,0,1|1,0,1]=4 306 B15R1.8923 CC(=O)c1cc(cs1)SCCC=C(C)C 62a_100000718618_100011217483 [0,0,0,1,0,1|1,0,1]=4 307 B15R1.8923 CC(=O)c1cc(cs1)SCCC=C(C)C 62a_100011217483_100000718618 [0,0,0,1,0,1|1,0,1]=4 308 B15R1.8923 CC(=O)c1ccc([nH]1)SCCC=C(C)C 62a_200010494458_100011217483 [0,0,0,1,0,1|1,0,0]=3 309 B15R1.8923 CC(=O)c1ccc(o1)SCCC=C(C)C 62a_100011217483_100000229899 [0,0,0,1,0,1|1,0,0]=3 310 B15R1.8923 CC(=O)c1ccc(s1)SCCC=C(C)C 62a_100000183331_100011217483 [0,0,0,1,0,1|1,0,0]=3 311 B15R1.8923 CC(=O)c1ccc(s1)SCCC=C(C)C 62a_100011217483_200000034408 [0,0,0,1,0,1|1,0,0]=3 312 B15R1.8923 CC(=O)c1cnc(s1)SCCC=C(C)C 62a_100011217483_200010173910 [0,0,0,1,0,1|2,0,0]=4 313 B15R1.8923 CC(=O)c1cnc(s1)SCCC=C(C)C 62a_200010173910_100011217483 [0,0,0,1,0,1|2,0,0]=4 314 B15R1.8923 CC(=O)c1csc(c1)SCCC=C(C)C 62a_100011217483_200012344231 [0,0,0,1,0,1|1,0,1]=4 315 B15R1.8923 CC(=O)c1csc(c1)SCCC=C(C)C 62a_200012344231_100011217483 [0,0,0,1,0,1|1,0,1]=4 316 B15R1.8923 CC(=O)c1nc(cs1)SCCC=C(C)C 62a_100010231720_100011217483 [0,0,0,1,0,1|2,0,0]=4 317 B15R1.8923 CC(=O)c1nc(cs1)SCCC=C(C)C 62a_100011217483_100010231720 [0,0,0,1,0,1|2,0,0]=4 318 B15R1.8923 CC(=O)c1ncc(s1)SCCC=C(C)C 62a_100000693680_100011217483 [0,0,0,1,0,1|2,0,0]=4 319 B15R1.8923 CC(=O)c1ncc(s1)SCCC=C(C)C 62a_100011217483_100000693680 [0,0,0,1,0,1|2,0,0]=4 320 B15R1.9000 CC(=O)c1cc(ccn1)SCC=C(C)C 62a_100000709912_100000761012 [0,0,0,1,0,1|1,0,1]=4 321 B15R1.9000 CC(=O)c1cc(ccn1)SCC=C(C)C 62a_100000761012_100000709912 [0,0,0,1,0,1|1,0,1]=4 322 B15R1.9000 CC(=O)c1cccc(c1)OCC=C(C)C 34a_100000211620_100000761012 [0,0,0,1,0,1|1,0,1]=4 323 B15R1.9000 CC(=O)c1cccc(c1)OCC=C(C)C 7a_100000211620_100000761012 [0,0,0,1,0,1|1,0,1]=4 324 B15R1.9000 CC(=O)c1cccc(c1)SCC=C(C)C 62a_100000210093_100000761012 [0,0,0,1,0,1|1,0,1]=4 325 B15R1.9000 CC(=O)c1cccc(c1)SCC=C(C)C 62a_100000761012_100000210093 [0,0,0,1,0,1|1,0,1]=4 326 B15R1.9000 CC(=O)c1cccc(n1)NCC=C(C)C 27a_100000718196_100000085735 [0,0,0,1,0,1|2,0,0]=4 327 B15R1.9000 CC(=O)c1cccc(n1)SCC=C(C)C 62a_100000761012_100009816502 [0,0,0,1,0,1|2,0,0]=4 328 B15R1.9000 CC(=O)c1cccc(n1)SCC=C(C)C 62a_100009816502_100000761012 [0,0,0,1,0,1|2,0,0]=4 329 B15R1.9000 CC(=O)c1ccnc(c1)SCC=C(C)C 62a_100000685609_100000761012 [0,0,0,1,0,1|1,0,1]=4 330 B15R1.9000 CC(=O)c1ccnc(c1)SCC=C(C)C 62a_100000761012_100000685609 [0,0,0,1,0,1|1,0,1]=4 331 B15R1.9000 CC(=O)c1ccnc(n1)NCC=C(C)C 27a_100000718196_100010643186 [0,0,0,1,0,1|2,0,0]=4 332 B15R1.9000 CC(=O)c1ccnc(n1)SCC=C(C)C 62a_100000761012_100010643186 [0,0,0,1,0,1|2,0,0]=4 333 B15R1.9000 CC(=O)c1ccnc(n1)SCC=C(C)C 62a_100010643186_100000761012 [0,0,0,1,0,1|2,0,0]=4 334 B15R1.9000 CC(=O)c1cncc(c1)SCC=C(C)C 62a_100000761012_100011216243 [0,0,0,1,0,1|1,0,1]=4 335 B15R1.9000 CC(=O)c1cncc(c1)SCC=C(C)C 62a_100011216243_100000761012 [0,0,0,1,0,1|1,0,1]=4 336 B15R1.1080 CC(=O)c1ccc(cc1)OCC=C(C)C 34a_100000185113_100000761012 [0,1,0,1,0,0|1,0,1]=4 337 B15R1.1080 CC(=O)c1ccc(cc1)OCC=C(C)C 7a_100000185113_100000761012 [0,1,0,1,0,0|1,0,1]=4 338 B15R1.1080 CC(=O)c1ccc(cc1)SCC=C(C)C 62a_100000185465_100000761012 [0,1,0,1,0,0|1,0,1]=4 339 B15R1.1080 CC(=O)c1ccc(cc1)SCC=C(C)C 62a_100000761012_100000185465 [0,1,0,1,0,0|1,0,1]=4 340 B15R1.1080 CC(=O)c1ccc(cn1)OCC=C(C)C 34a_100012001710_100000761012 [0,1,0,1,0,0|1,0,1]=4 341 B15R1.1080 CC(=O)c1ccc(cn1)OCC=C(C)C 7a_100012001710_100000761012 [0,1,0,1,0,0|1,0,1]=4 342 B15R1.1080 CC(=O)c1ccc(cn1)SCC=C(C)C 62a_100000686046_100000761012 [0,1,0,1,0,0|1,0,1]=4 343 B15R1.1080 CC(=O)c1ccc(cn1)SCC=C(C)C 62a_100000761012_100000686046 [0,1,0,1,0,0|1,0,1]=4 344 B15R1.1080 CC(=O)c1ccc(nc1)NCC=C(C)C 27a_100000718196_100000690552 [0,1,0,1,0,0|1,0,1]=4 345 B15R1.1080 CC(=O)c1ccc(nc1)SCC=C(C)C 62a_100000684857_100000761012 [0,1,0,1,0,0|1,0,1]=4 346 B15R1.1080 CC(=O)c1ccc(nc1)SCC=C(C)C 62a_100000761012_100000684857 [0,1,0,1,0,0|1,0,1]=4 347 B15R1.8416 CC(=O)c1ccc(cc1C(=C(C)C)C)C 271570a_200000049429_100012353930 [0,1,0,1,0,0|0,0,2]=4 348 B15R1.8938 CC(=O)c1ccc([nH]1)CCC(=O)N(C)C 271570a_200010232142_200010494458 [0,1,0,1,0,0|2,0,0]=4 349 B15R1.8938 CC(=O)c1ccc(o1)CCC(=O)N(C)C 271570a_200010232142_100000229899 [0,1,0,1,0,0|2,0,0]=4 350 B15R1.8938 CC(=O)c1ccc(s1)CCC(=O)N(C)C 271570a_200010232142_100000183331 [0,1,0,1,0,0|2,0,0]=4 351 B15R1.882 CC(=CCCC(=O)c1ccc(cc1)C)C 1458a_100000188618_100011217483 [0,1,0,1,0,0|2,0,0]=4 352 B15R1.882 CC(=CCCN(C)c1ccc(cc1)C)C 2230a_100000219977_100011217483 [0,1,0,1,0,0|2,0,0]=4 353 B15R1.882 CC(=CCCN(C)c1ccc(cc1)C)C 269982a_100000219977_100011217483 [0,1,0,1,0,0|2,0,0]=4 354 B15R1.882 CC(=CCCN(C)c1ccc(cc1)C)C 34a_100000219977_100011217483 [0,1,0,1,0,0|2,0,0]=4 355 B15R1.938 CCC(=O)c1ccc(s1)SCC=C(C)C 62a_100000761012_200011203577 [0,1,0,1,0,0|2,0,0]=4 356 B15R1.938 CCC(=O)c1ccc(s1)SCC=C(C)C 62a_200011203577_100000761012 [0,1,0,1,0,0|2,0,0]=4 357 B15R1.938 CNC(=O)c1ccc(o1)SCC=C(C)C 62a_100000761012_100000159859 [0,1,0,1,0,0|2,0,0]=4 358 B15R1.938 CNC(=O)c1ccc(s1)SCC=C(C)C 62a_100000761012_200000155069 [0,1,0,1,0,0|2,0,0]=4 359 B15R1.938 CNC(=O)c1ccc(s1)SCC=C(C)C 62a_200000155069_100000761012 [0,1,0,1,0,0|2,0,0]=4 360 B15R1.938 COC(=O)c1ccc([nH]1)SCC=C(C)C 62a_100000761012_100000687774 [0,1,0,1,0,0|2,0,0]=4 361 B15R1.938 COC(=O)c1ccc(o1)SCC=C(C)C 62a_100000761012_100000148852 [0,1,0,1,0,0|2,0,0]=4 362 B15R1.938 COC(=O)c1ccc(s1)SCC=C(C)C 62a_100000148107_100000761012 [0,1,0,1,0,0|2,0,0]=4 363 B15R1.938 COC(=O)c1ccc(s1)SCC=C(C)C 62a_100000761012_100000148107 [0,1,0,1,0,0|2,0,0]=4 364 B15R1.11677 CCC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_200012349623 [0,1,0,1,0,0|0,0,2]=4 365 B15R1.11677 COC(=O)c1ccc(cc1C=C(C)C)C 271570a_100102525489_100012340597 [0,1,0,1,0,0|0,0,2]=4 366 B15R1.11677 COC(=O)c1ccc(nc1C=C(C)C)C 271570a_100102525489_100000054099 [0,1,0,1,0,0|1,0,1]=4 367 B15R1.6593 CC(=O)c1cc(c(s1)SCC=C(C)C)C 62a_100000729792_100000761012 [0,1,0,1,0,0|2,0,0]=4 368 B15R1.6593 CC(=O)c1cc(c(s1)SCC=C(C)C)C 62a_100000761012_100000729792 [0,1,0,1,0,0|2,0,0]=4 369 B15R1.91 COc1ccc(c(c1)C=C(C)C)C(=O)C 271570a_100102525489_100000697255 [0,1,0,1,0,0|0,0,2]=4 370 B15R1.23456 CC(=O)c1c[nH]c(c1C)SCC=C(C)C 62a_100000761012_200010235672 [0,1,0,1,0,0|2,0,0]=4 371 B15R1.23456 CC(=O)c1c[nH]c(c1C)SCC=C(C)C 62a_200010235672_100000761012 [0,1,0,1,0,0|2,0,0]=4 372 B11R0.46 C/C=C/C=CC(=O)CC=C(C)C 1458a_100000185730_100000761012 [1,0,0,0,1,0|1,0,0]=3 373 B11R0.46 C/C=C/C=CC(=O)CCC(C)C 1458a_100000185730_100000210312 [1,0,0,0,1,0|1,0,1]=4 374 B11R0.46 C=C(C)CCC(=O)C=C/C=C/C 1458a_100000185730_100000730704 [1,0,0,0,1,0|1,0,1]=4 375 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,0,0,0,2,0|0,0,0]=2 376 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,0,0,0,2,0|2,0,0]=4 377 B11R0.6 CC(=CCCC(=O)C=C(C)Cl)C 1458a_200042562850_100011217483 [0,0,0,0,2,0|2,0,0]=4 378 B11R0.6 CC(=CCCC(=O)C=C(C)I)C 1458a_100025716642_100011217483 [0,0,0,0,2,0|2,0,0]=4 379 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,2,0|0,0,2]=4 380 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,0,0,0,2,0|0,0,0]=2 381 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,2,0|0,0,2]=4 382 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 2230a_200020676162_100000761012 [0,0,0,0,0,2|1,0,1]=4 383 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 34a_100000718196_100016991246 [0,0,0,0,0,2|1,0,1]=4 384 B15R0.221 CC(=CCC/C(=C/CNCC=C(C)C)/C)C 34a_200020676162_100000761012 [0,0,0,0,0,2|1,0,1]=4 385 B15R0.221 CC(=CCC/C(=C/COCC=C(C)C)/C)C 34a_100000753907_100016991246 [0,0,0,0,0,2|1,0,1]=4 386 B15R0.221 CC(=CCC/C(=C/CSCC=C(C)C)/C)C 62a_100000761012_100016991246 [0,0,0,0,0,2|1,0,1]=4 387 B15R0.221 CC(=CCC/C(=C/CSCC=C(C)C)/C)C 62a_100016991246_100000761012 [0,0,0,0,0,2|1,0,1]=4 388 B15R0.221 CC(=CCC/C(=C\COCC=C(C)C)/C)C 34a_100016990311_100000761012 [0,0,0,0,0,2|1,0,1]=4 389 B15R0.221 CC(=CCC/C(=C\COCC=C(C)C)/C)C 7a_100016990311_100000761012 [0,0,0,0,0,2|1,0,1]=4 390 B15R0.221 CC(=O)CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000053229 [0,0,0,0,0,2|0,0,2]=4 391 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 34a_100000759926_100016991246 [0,0,0,0,0,2|0,0,2]=4 392 B15R0.221 CC(=O)CCOC/C=C(\C)/CCC=C(C)C 7a_100000759926_100016991246 [0,0,0,0,0,2|0,0,2]=4 393 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100000053229_100016991246 [0,0,0,0,0,2|0,0,2]=4 394 B15R0.221 CC(=O)CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000053229 [0,0,0,0,0,2|0,0,2]=4 395 B15R0.221 CC(=O)OCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100009813279 [0,0,0,0,0,2|0,0,2]=4 396 B15R0.221 CC(=O)OCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100009813279 [0,0,0,0,0,2|0,0,2]=4 397 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100000076356_100016991246 [0,0,0,0,0,2|0,0,2]=4 398 B15R0.221 CC(=O)OCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000076356 [0,0,0,0,0,2|0,0,2]=4