0 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.5 C#CCC(=O)N(C)C 1626a_100102631434_100011220946 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.5 C#CCC(=O)N(C)C 527a_100102631434_100011220946 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,0,0,0,0,0|0,0,4]=4 7 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,0,0,0,0,0|0,0,4]=4 8 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.5 C=C(Cl)C(=O)NNC 22a_100016993582_100000039160 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.5 C=C(F)C(=O)NNC 22a_100016993582_100000036797 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,0,0,0,0,0|1,0,3]=4 26 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,0,0,0,0,0|0,0,4]=4 32 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,0,0,0,0,0|0,0,4]=4 33 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,0,0,0,0,0|1,0,3]=4 34 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,0,0,0,0,0|1,0,3]=4 35 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,0,0,0,0,0|1,0,3]=4 40 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,0,0,0,0,0|2,0,2]=4 54 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,0,0,0,0,0|2,0,2]=4 55 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,0,0,0,0,0|3,0,1]=4 61 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,0,0,0,0,0|1,0,1]=2 65 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,0,0,0,0,0|1,0,1]=2 66 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,0,0,0,0,0|1,0,3]=4 67 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,0,0,0,0,0|1,0,1]=2 71 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,0,0,0,0,0|1,0,1]=2 72 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,0,0,0,0,0|1,0,1]=2 73 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,0,0,0,0,0|1,0,2]=3 74 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,0,0,0,0,0|2,0,0]=2 75 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,0,0,0,0,0|2,0,0]=2 76 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,0,0,0,0,0|2,0,0]=2 77 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,0,0,0,0,0|2,0,0]=2 78 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,0,0,0,0,0|0,0,2]=2 79 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,0,0,0,0,0|0,0,2]=2 80 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,0,0,0,0,0|1,0,1]=2 81 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,0,0,0,0,0|1,0,1]=2 82 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,0,0,0,0,0|1,0,1]=2 83 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,0,0,0,0,0|2,0,0]=2 87 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,0,0,0,0,0|2,0,0]=2 88 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,0,0,0,0,0|3,0,1]=4 97 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,0,0,0,0,0|0,0,2]=2 98 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,0,0,0,0,0|0,0,2]=2 99 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,0,0,0,0,0|1,0,0]=1 100 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,0,0,0,0,0|2,0,0]=2 101 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,0,0,0,0,0|1,0,0]=1 102 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,0,0,0,0,0|2,0,1]=3 103 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,0,0,0,0,0|2,0,1]=3 105 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,0,0,0,0,0|2,0,1]=3 106 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,0,0,0,0,0|2,0,1]=3 107 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,0,0,0,0,0|2,0,1]=3 108 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,0,0,0,0,0|3,0,1]=4 111 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,0,0,0,0,0|2,0,2]=4 112 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,0,0,0,0,0|3,0,0]=3 113 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,0,0,0,0,0|1,0,2]=3 114 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,0,0,0,0,0|1,0,2]=3 115 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,0,0,0,0,0|2,0,1]=3 116 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,0,0,0,0,0|3,0,1]=4 117 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,0,0,0,0,0|3,0,1]=4 118 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,0,0,0,0,0|2,0,1]=3 122 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,0,0,0,0,0|2,0,1]=3 123 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,0,0,0,0,0|2,0,1]=3 125 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,0,0,0,0,0|2,0,1]=3 131 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,0,0,0,0,0|2,0,1]=3 132 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,0,0,0,0,0|2,0,1]=3 133 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,0,0,0,0,0|2,0,1]=3 136 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.5 CN(C)C(=O)CC#N 1626a_100102631434_100051588842 [0,0,0,0,0,0|3,0,1]=4 141 B7R0.5 CN(C)C(=O)CC#N 240690a_100102631434_100051588842 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,0,0,0,0,0|3,0,0]=3 143 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,0,0,0,0,0|3,0,0]=3 144 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,0,0,0,0,0|3,0,0]=3 145 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,0,0,0,0,0|3,0,0]=3 146 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,0,0,0,0,0|1,0,0]=1 147 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,0,0,0,0,0|2,0,1]=3 148 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,0,0,0,0,0|2,0,1]=3 149 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,0,0,0,0,0|2,0,1]=3 150 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,0,0,0,0,0|3,0,0]=3 151 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,0,0,0,0,0|3,0,0]=3 152 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,0,0,0,0,0|3,0,0]=3 153 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,0,0,0,0,0|3,0,0]=3 154 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,0,0,0,0,0|3,0,1]=4 155 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,0,0,0,0,0|3,0,1]=4 156 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,0,0,0,0,0|3,0,1]=4 158 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,0,0,0,0,0|3,0,1]=4 159 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,0,0,0,0,0|2,0,2]=4 160 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,0,0,0,0,0|2,0,2]=4 161 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,0,0,0,0,0|3,0,0]=3 162 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,0,0,0,0,0|3,0,0]=3 163 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,0,0,0,0,0|1,0,0]=1 164 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,0,0,0,0,0|2,0,1]=3 165 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,0,0,0,0,0|2,0,1]=3 166 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,0,0,0,0,0|3,0,0]=3 167 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,0,0,0,0,0|3,0,0]=3 168 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,0,0,0,0,0|3,0,0]=3 169 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,0,0,0,0,0|3,0,0]=3 170 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,0,0,0,0,0|3,0,0]=3 171 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,0,0,0,0,0|2,0,1]=3 172 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,0,0,0,0,0|2,0,1]=3 173 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,0,0,0,0,0|2,0,1]=3 174 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,0,0,0,0,0|2,0,1]=3 175 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,0,0,0,0,0|2,0,1]=3 176 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,0,0,0,0,0|3,0,1]=4 177 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,0,0,0,0,0|1,0,0]=1 178 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,0,0,0,0,0|1,0,0]=1 179 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,0,0,0,0,0|2,0,1]=3 180 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,0,0,0,0,0|2,0,1]=3 181 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,0,0,0,0,0|2,0,1]=3 182 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,0,0,0,0,0|3,0,0]=3 183 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,0,0,0,0,0|3,0,0]=3 184 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,0,0,0,0,0|3,0,0]=3 185 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,0,0,0,0,0|3,0,0]=3 186 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,0,0,0,0,0|3,0,0]=3 187 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,0,0,0,0,0|3,0,0]=3 188 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,0,0,0,0,0|2,0,1]=3 189 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,0,0,0,0,0|2,0,1]=3 190 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,0,0,0,0,0|1,0,3]=4 191 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,0,0,0,0,0|1,0,2]=3 192 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,0,0,0,0,0|1,0,2]=3 193 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,0,0,0,0,0|1,0,3]=4 194 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,0,0,0,0,0|1,0,2]=3 195 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,0,0,0,0,0|1,0,2]=3 196 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,0,0,0,0,0|2,0,2]=4 197 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,0,0,0,0,0|2,0,2]=4 198 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,0,0,0,0,0|3,0,1]=4 199 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,0,0,0,0,0|3,0,1]=4 200 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,0,0,0,0|0,0,2]=3 201 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,0,0,0,0,0|1,0,2]=4 202 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,0,0,0,0,0|1,0,2]=4 203 B6R0.1 C#CCC(=O)C=C 1458a_100000185746_100000184674 [1,0,0,0,0,0|0,0,3]=4 204 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,0,0,0,0|0,0,3]=4 205 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,0,0,0,0|0,0,3]=4 206 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 207 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,0,0,0,0|1,0,2]=4 208 B6R0.1 C=CC(=O)CC#N 1458a_100000185746_100011214920 [1,0,0,0,0,0|1,0,2]=4 209 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,0,0,0,0|0,0,1]=2 210 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,0,0,0,0,0|1,0,1]=3 211 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,0,0,0,0|1,0,1]=3 213 B6R0.1 C=CC(=O)NNC 22a_100016993582_100000185746 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.1 C=CCC(=O)C=C 1458a_100000185746_100000210623 [1,0,0,0,0,0|0,0,3]=4 215 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,0,0,0,0|0,0,3]=4 216 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,0,0,0,0|0,0,3]=4 217 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 219 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 220 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,0,0,0,0|1,0,2]=4 221 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,0,0,0,0|0,0,3]=4 222 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,0,0,0,0|0,0,3]=4 223 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,0,0,0,0|1,0,2]=4 224 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 225 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,0,0,0,0|1,0,2]=4 226 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,0,0,0,0|1,0,2]=4 227 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,0,0,0,0|1,0,2]=4 228 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|1,0,1]=3 229 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|1,0,1]=3 231 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,0,0,0,0|1,0,1]=3 232 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,0,0,0,0|1,0,1]=3 233 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,0,0,0,0|1,0,1]=3 236 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,0,0,0,0|1,0,1]=3 238 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,0,0,0,0|1,0,1]=3 239 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,0,0,0,0|1,0,1]=3 240 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,0,0,0,0|2,0,1]=4 241 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|0,0,1]=2 242 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|0,0,1]=2 243 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|1,0,1]=3 244 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|0,0,2]=3 245 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,0,0,0,0|1,0,0]=2 246 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 247 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 248 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,0,0,0,0|1,0,0]=2 249 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 251 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 259 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 273 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 274 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,0,0,0,0|1,0,1]=3 275 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|1,0,2]=4 276 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|1,0,2]=4 277 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,0,0,0,0|2,0,0]=3 278 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 279 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,0,0,0,0|2,0,0]=3 283 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|2,0,0]=3 286 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,0,0,0,0|2,0,0]=3 293 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,0,0,0,0|2,0,0]=3 294 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,0,0,0,0|2,0,0]=3 295 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 296 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 297 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,0,0,0,0|2,0,0]=3 298 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,0,0,0,0|2,0,0]=3 300 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,0,0,0,0|2,0,0]=3 302 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,0,0,0,0|2,0,0]=3 303 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 304 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,0,0,0,0|2,0,0]=3 305 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,0,0,0,0|2,0,0]=3 306 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,0,0,0,0|2,0,0]=3 307 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,0,0,0,0|2,0,0]=3 308 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,0,0,0,0|2,0,0]=3 309 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,0,0,0,0|3,0,0]=4 310 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,0,0,0,0|3,0,0]=4 311 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,0,0,0,0|2,0,0]=3 313 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,0,0,0,0|2,0,0]=3 314 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,0,0,0,0|2,0,0]=3 315 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,0,0,0,0|2,0,0]=3 316 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,0,0,0,0|2,0,0]=3 318 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|1,0,2]=4 321 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|1,0,2]=4 322 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,0,0|1,0,1]=3 323 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,0,0|1,0,1]=3 324 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,0,0|1,0,0]=2 327 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,0,0,0,0,0|2,0,0]=3 329 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,0,0,0,0,0|2,0,0]=3 330 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [1,0,0,0,0,0|2,0,1]=4 334 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|2,0,1]=4 335 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|2,0,1]=4 336 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|2,0,1]=4 337 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|1,0,2]=4 338 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,0,0|1,0,1]=3 342 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,0,0|1,0,1]=3 343 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,0,0|1,0,1]=3 344 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,0,0,0,0|1,0,2]=4 345 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 346 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 347 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 348 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,0,0|2,0,0]=3 349 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,0,0|0,0,2]=3 350 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,0,0|0,0,2]=3 351 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|1,0,1]=3 352 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|1,0,1]=3 353 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|1,0,1]=3 354 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|0,0,2]=3 355 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|0,0,2]=3 356 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 357 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 358 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 359 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|2,0,0]=3 360 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [1,0,0,0,0,0|3,0,0]=4 361 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [1,0,0,0,0,0|3,0,0]=4 362 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,0,0,0,0|1,0,0]=2 363 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,0,0,0,0,0|2,0,0]=3 364 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,0,0,0,0|1,0,0]=2 365 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,0,0,0,0|2,0,1]=4 367 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,0,0,0,0|2,0,1]=4 368 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,0,0,0,0|2,0,1]=4 369 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [1,0,0,0,0,0|3,0,0]=4 374 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,0,0,0,0|1,0,2]=4 375 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,0,0,0,0|1,0,2]=4 376 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,0,0,0,0|1,0,2]=4 377 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|2,0,1]=4 383 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,0,0|1,0,2]=4 387 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,0,0|1,0,2]=4 388 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|1,0,2]=4 389 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|0,0,3]=4 390 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|0,0,3]=4 391 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|0,0,3]=4 392 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 393 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 394 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|1,0,2]=4 395 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|1,0,2]=4 396 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|0,0,3]=4 397 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|2,0,1]=4 402 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|2,0,1]=4 405 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,0,0,0,0|2,0,1]=4 409 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,0,0,0,0|2,0,1]=4 410 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|0,0,3]=4 413 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|0,0,3]=4 414 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|0,0,3]=4 415 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|0,0,3]=4 416 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|0,0,3]=4 417 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 418 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|1,0,2]=4 419 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|1,0,2]=4 420 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|0,0,3]=4 421 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [1,0,0,0,0,0|2,0,0]=3 422 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|2,0,0]=3 423 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [1,0,0,0,0,0|2,0,0]=3 424 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [1,0,0,0,0,0|2,0,0]=3 425 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|1,0,2]=4 426 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|1,0,2]=4 427 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|1,0,2]=4 428 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|1,0,1]=3 429 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|1,0,1]=3 430 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|1,0,1]=3 431 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|1,0,1]=3 432 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|1,0,1]=3 433 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|1,0,1]=3 434 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|2,0,1]=4 435 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 436 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 437 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 438 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 439 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,0]=3 440 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,0]=3 441 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|2,0,0]=3 442 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|2,0,0]=3 443 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|2,0,0]=3 444 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|2,0,0]=3 445 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|0,0,3]=4 446 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|0,0,3]=4 447 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|0,0,3]=4 448 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|2,0,1]=4 449 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|0,0,2]=3 450 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|0,0,2]=3 451 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|0,0,1]=2 452 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|0,0,1]=2 453 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|0,0,1]=2 454 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|0,0,1]=2 455 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|0,0,1]=2 456 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 457 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 458 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 459 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 460 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 461 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 462 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 463 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 464 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|1,0,0]=2 465 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|1,0,0]=2 466 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 467 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 468 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 469 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 470 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,1]=4 471 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,1]=4 472 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 473 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 474 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|2,0,1]=4 475 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|2,0,0]=3 476 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|1,0,1]=3 477 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|1,0,1]=3 478 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|1,0,1]=3 480 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|2,0,1]=4 481 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|1,0,1]=3 482 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|1,0,1]=3 485 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|2,0,1]=4 486 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|2,0,1]=4 487 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [1,0,0,0,0,0|2,0,0]=3 488 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [1,0,0,0,0,0|2,0,0]=3 489 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [1,0,0,0,0,0|2,0,0]=3 490 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [1,0,0,0,0,0|2,0,0]=3 491 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|1,0,1]=3 492 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,1]=4 493 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,1]=4 494 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,1]=4 495 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|1,0,1]=3 497 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|1,0,1]=3 498 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|2,0,0]=3 499 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|2,0,0]=3 500 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|1,0,1]=3 501 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|1,0,1]=3 502 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|1,0,1]=3 503 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|1,0,1]=3 504 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,1]=4 505 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|1,0,1]=3 508 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|2,0,0]=3 509 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [1,0,0,0,0,0|2,0,0]=3 510 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [1,0,0,0,0,0|2,0,0]=3 511 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|1,0,1]=3 512 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|1,0,1]=3 513 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|1,0,1]=3 514 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|1,0,1]=3 515 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,1]=4 516 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|1,0,1]=3 518 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|2,0,0]=3 519 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|2,0,0]=3 520 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|1,0,2]=4 521 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|1,0,2]=4 522 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,1]=4 523 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,1]=4 524 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,1]=4 525 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,1]=4 526 B8R0.2 C#CC(C)C(=O)C(=C)C 1458a_100000185857_200000035995 [0,1,0,0,0,0|1,0,2]=4 527 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.2 C=C(C)C(=O)C(C)C#N 1458a_100000185857_100000703298 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,0|1,0,0]=2 531 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,1,0,0,0,0|2,0,0]=3 532 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,1,0,0,0,0|2,0,0]=3 533 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|3,0,0]=4 538 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|3,0,0]=4 539 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|1,0,2]=4 540 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,1,0,0,0,0|2,0,1]=4 541 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,1,0,0,0,0|2,0,1]=4 542 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_100000209910_200025704644 [0,1,0,0,0,0|3,0,0]=4 544 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_200025704644_100000209910 [0,1,0,0,0,0|3,0,0]=4 545 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,0|1,0,2]=4 547 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,0|1,0,2]=4 548 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,0,0,0,0|1,0,1]=3 549 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,0,0,0,0|1,0,1]=3 550 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,1,0,0,0,0|1,0,1]=3 551 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,1,0,0,0,0|1,0,2]=4 552 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,1,0,0,0,0|2,0,0]=3 553 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,1,0,0,0,0|2,0,0]=3 554 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,1,0,0,0,0|2,0,0]=3 555 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,1,0,0,0,0|2,0,0]=3 556 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,0|0,0,2]=3 557 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,0|0,0,2]=3 558 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 559 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 560 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|2,0,0]=3 561 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|2,0,0]=3 562 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,1,0,0,0,0|1,0,1]=3 563 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,1,0,0,0,0|2,0,0]=3 564 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,1,0,0,0,0|2,0,0]=3 565 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 566 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,1,0,0,0,0|2,0,1]=4 569 B8R0.2 CCN(C)C(=O)C(C)F 11a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 570 B8R0.2 CCN(C)C(=O)C(C)F 1626a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.2 CCN(C)C(=O)C(C)F 240690a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.2 CCN(C)C(=O)C(C)F 527a_100000225621_100000062450 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,1,0,0,0,0|1,0,2]=4 574 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,1,0,0,0,0|1,0,2]=4 575 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,1,0,0,0,0|1,0,2]=4 576 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|2,0,1]=4 578 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|2,0,1]=4 579 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|2,0,1]=4 580 B8R0.2 CN(C)C(=O)C(O)CO 240690a_100102631434_100011215603 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.2 CNC(C)C(=O)N(C)C 2230a_106832991635_100000209910 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.2 CNC(C)C(=O)N(C)C 7a_106832991635_100000209910 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.2 CN[C@@H](C)C(=O)N(C)C 2230a_100000697320_200000210301 [0,1,0,0,0,0|3,0,0]=4 586 B8R0.2 CN[C@@H](C)C(=O)N(C)C 34a_100000697320_200000210301 [0,1,0,0,0,0|3,0,0]=4 587 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,1,0,0,0,0|2,0,1]=4 588 B8R0.2 COC(C)C(=O)N(C)C 11a_100102631434_100000743197 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.2 COC(C)C(=O)N(C)C 1626a_100102631434_100000743197 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.2 COC(C)C(=O)N(C)C 240690a_100102631434_100000743197 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.2 COC(C)C(=O)N(C)C 527a_100102631434_100000743197 [0,1,0,0,0,0|3,0,0]=4 592 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,1,0,0,0,0|2,0,1]=4 595 B8R0.2 CSC(C)C(=O)N(C)C 11a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.2 CSC(C)C(=O)N(C)C 1626a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.2 CSC(C)C(=O)N(C)C 240690a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.2 CSC(C)C(=O)N(C)C 527a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 599 B8R0.2 CSC(C)C(=O)N(C)C 62a_100000209910_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.2 CSC(C)C(=O)N(C)C 62a_200000210301_100000209910 [0,1,0,0,0,0|3,0,0]=4 601 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 2230a_100000697320_200025704644 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 34a_100000697320_200025704644 [0,1,0,0,0,0|3,0,0]=4 603 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|1,0,2]=4 604 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,0,0,0,0|1,0,2]=4 605 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,1,0,0,0,0|1,0,1]=3 606 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,1,0,0,0,0|2,0,1]=4 607 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,1,0,0,0,0|2,0,1]=4 608 B8R0.3 C#CC(C)C(=O)CSC 1458a_100000184570_200000035995 [0,1,0,0,0,0|2,0,1]=4 609 B8R0.3 C#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000184674 [0,1,0,0,0,0|1,0,2]=4 610 B8R0.3 C#CCC(=O)C(=O)NC 1458a_100011218921_100000184674 [0,1,0,0,0,0|0,0,2]=3 611 B8R0.3 C/C=C(\C)/C(=O)CC#N 1458a_100020587367_100011214920 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,0,0,0,0|1,0,0]=2 613 B8R0.3 C/C=C(\C)/C(=O)CCF 1458a_100020587367_100011217306 [0,1,0,0,0,0|2,0,0]=3 614 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,1,0,0,0,0|2,0,0]=3 615 B8R0.3 C/C=C(\C)/C(=O)NCC 11a_100015525214_100020587367 [0,1,0,0,0,0|2,0,0]=3 616 B8R0.3 C/C=C(\C)/C(=O)NNC 22a_100016993582_100020587367 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,1,0,0,0,0|2,0,0]=3 618 B8R0.3 C=C(CO)C(=O)NNC 22a_100016993582_200000705526 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,1,0,0,0,0|2,0,0]=3 620 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,1,0,0,0,0|2,0,0]=3 621 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,1,0,0,0,0|2,0,0]=3 622 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,1,0,0,0,0|2,0,0]=3 623 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,1,0,0,0,0|2,0,0]=3 624 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,0,0,0,0|1,0,2]=4 625 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,0,0,0,0|1,0,1]=3 628 B8R0.3 C=CC(C)C(=O)CCF 1458a_100011216780_100011217306 [0,1,0,0,0,0|2,0,1]=4 629 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,1,0,0,0,0|2,0,1]=4 630 B8R0.3 C=CC(C)C(=O)NCC 11a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.3 C=CC(C)C(=O)NCC 240690a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.3 C=CC(C)C(=O)NCC 527a_100015525214_100011216780 [0,1,0,0,0,0|2,0,1]=4 633 B8R0.3 C=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000210623 [0,1,0,0,0,0|1,0,2]=4 634 B8R0.3 C=CCC(=O)C(=O)NC 1458a_100011218921_100000210623 [0,1,0,0,0,0|0,0,2]=3 635 B8R0.3 CC(C#N)C(=O)CCF 1458a_100000753662_100011217306 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,0,0,0,0|1,0,1]=3 640 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,1,0,0,0,0|1,0,1]=3 641 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,0,0,0,0|1,0,1]=3 642 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,0,0,0,0|1,0,1]=3 644 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,0,0,0,0|1,0,1]=3 645 B8R0.3 CCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210202 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,1,0,0,0,0|1,0,2]=4 658 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,0,0,0,0|1,0,2]=4 659 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,0,0,0,0|0,0,0]=1 660 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,1,0,0,0,0|1,0,1]=3 661 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,1,0,0,0,0|1,0,1]=3 662 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|1,0,1]=3 663 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|1,0,1]=3 664 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,0,0,0,0|0,0,2]=3 665 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,0,0,0,0|0,1,1]=3 666 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,0,0,0,0|0,0,2]=3 667 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|0,0,2]=3 668 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 669 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 670 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 671 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,0,0,0,0|2,0,0]=3 672 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|1,0,1]=3 673 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|1,0,1]=3 674 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,0,0,0,0|1,0,1]=3 675 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|1,0,1]=3 676 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,0,0,0,0|1,0,1]=3 677 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,0,0,0,0|1,0,1]=3 678 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,0,0,0,0|1,0,1]=3 679 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,0,0,0,0|1,0,1]=3 680 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 681 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 682 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 683 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,0,0,0,0|2,0,0]=3 684 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,0,0,0,0|2,0,0]=3 685 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,0,0,0,0|2,0,0]=3 686 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 687 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,0,0,0,0|2,0,0]=3 688 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,0,0,0,0|0,0,2]=3 689 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,0,0,0,0|0,0,2]=3 690 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,0,0,0,0|0,0,2]=3 691 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,1,0,0,0,0|3,0,0]=4 700 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 701 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 702 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 703 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,1,0,0,0,0|3,0,0]=4 704 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,1,0,0,0,0|3,0,0]=4 705 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,1,0,0,0,0|3,0,0]=4 706 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,0,0,0,0|1,0,0]=2 709 B8R0.3 CCNC(=O)C(=O)CF 1458a_200011297158_100015361967 [0,1,0,0,0,0|1,0,0]=2 710 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,0,0,0,0|1,0,0]=2 711 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,0,0,0,0|1,0,0]=2 712 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,0,0,0,0|1,0,0]=2 713 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,0,0,0,0|1,0,0]=2 714 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,0,0,0,0|1,0,0]=2 715 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,1,0,0,0,0|1,0,0]=2 716 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,1,0,0,0,0|1,0,0]=2 717 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,1,0,0,0,0|1,0,0]=2 718 B8R0.3 CCNC(=O)C(C)C#N 11a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 719 B8R0.3 CCNC(=O)C(C)C#N 240690a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 720 B8R0.3 CCNC(=O)C(C)C#N 527a_100015525214_100000753662 [0,1,0,0,0,0|2,0,1]=4 721 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|2,0,1]=4 722 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|2,0,1]=4 724 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,0,0,0,0|2,0,1]=4 725 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,0,0,0,0|2,0,1]=4 726 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,0,0,0,0|2,0,1]=4 727 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,0,0,0,0|2,0,1]=4 728 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,0,0,0,0|1,0,2]=4 732 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,0,0,0,0|1,0,2]=4 733 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,0,0,0,0|1,0,2]=4 734 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,0,0,0,0|1,0,2]=4 735 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,0,0,0,0|1,1,1]=4 736 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,0,0,0,0|1,1,1]=4 737 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,0,0,0,0|1,1,1]=4 738 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,0,0,0,0|1,1,1]=4 739 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,0,0,0,0|1,1,1]=4 740 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,0,0,0,0|1,1,1]=4 741 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,0,0,0,0|1,1,1]=4 742 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,0,0,0,0|1,0,2]=4 743 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|1,0,2]=4 744 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 745 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,0,0,0,0|3,0,0]=4 746 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,0,0,0,0|2,0,1]=4 750 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,0,0,0,0|2,0,1]=4 751 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,0,0,0,0|1,0,0]=2 753 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,0,0,0,0|1,0,0]=2 754 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,0,0,0,0|1,0,0]=2 755 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,0,0,0,0|1,0,2]=4 759 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,0,0,0,0|1,1,1]=4 760 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,0,0,0,0|1,1,1]=4 761 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,0,0,0,0|1,1,1]=4 762 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,0,0,0,0|1,1,1]=4 763 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,0,0,0,0|2,0,1]=4 765 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,0,0,0,0|2,0,1]=4 766 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,0,0,0,0|2,0,1]=4 768 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,0,0,0,0|2,0,1]=4 769 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,0,0,0,0|2,0,1]=4 771 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,0,0,0,0|1,0,2]=4 772 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,0,0,0,0|1,0,2]=4 773 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,0,0,0,0|2,0,1]=4 775 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,0,0,0,0|2,0,1]=4 776 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 777 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 778 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,0,0,0,0|2,0,1]=4 779 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,0,0,0,0|2,0,1]=4 780 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,0,0,0,0|2,0,1]=4 781 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,0,0,0,0|2,0,1]=4 785 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|2,0,1]=4 786 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,1,0,0,0,0|3,0,0]=4 800 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,1,0,0,0,0|3,0,0]=4 801 B8R0.3 CNC(=O)/C(=N/OC)/C 11a_106832991635_100160996864 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.3 CNC(=O)/C(=N/OC)/C 240690a_100102657272_100160996864 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.3 CNC(=O)C(=O)CC#N 1458a_100011218921_100011214920 [0,1,0,0,0,0|1,0,1]=3 804 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,0,0,0,0|1,0,0]=2 805 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,0,0,0,0|1,0,0]=2 806 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|2,0,1]=4 812 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,0,0,0,0|2,0,1]=4 815 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 817 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,1,0,0,0,0|3,0,0]=4 818 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,1,0,0,0,0|1,0,0]=2 819 B8R0.3 CNCC(=O)N(C)OC 2230a_100015207273_200000210301 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.3 CNCC(=O)N(C)OC 2230a_106832991635_100000764215 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.3 CNCC(=O)N(C)OC 7a_106832991635_100000764215 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,0,0,0,0|2,0,1]=4 823 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,0,0,0,0|2,0,1]=4 824 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,0,0,0,0|2,0,1]=4 825 B8R0.3 CNNC(=O)C(=O)NC 22a_100016993582_100011218921 [0,1,0,0,0,0|2,0,0]=3 826 B8R0.3 CO/N=C(\C)/C(=O)CF 1458a_100160996864_100015361967 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,1,0,0,0,0|1,0,0]=2 828 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,1,0,0,0,0|1,0,0]=2 829 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,1,0,0,0,0|1,0,0]=2 830 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,1,0,0,0,0|1,0,0]=2 831 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|2,0,1]=4 832 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,0,0,0,0|2,0,1]=4 834 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,0,0,0,0|2,0,1]=4 836 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,0,0,0,0|2,0,1]=4 837 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,0,0,0,0|2,0,1]=4 838 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,0,0,0,0|2,0,1]=4 839 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,1,0,0,0,0|1,0,2]=4 840 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,1,0,0,0,0|1,0,2]=4 841 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,1,0,0,0,0|1,0,0]=2 842 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,0,0,0,0|2,0,1]=4 844 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|2,0,1]=4 845 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|2,0,1]=4 846 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|2,0,1]=4 847 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|2,0,1]=4 848 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,0,0,0,0|2,0,1]=4 849 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,0,0,0,0|2,0,1]=4 850 B8R0.3 CON(C)C(=O)CN[13CH3] 2230a_100015207273_200025704644 [0,1,0,0,0,0|2,0,1]=4 851 B8R0.3 CON(C)C(=O)CSC 62a_100000764215_200000210301 [0,1,0,0,0,0|2,0,1]=4 852 B8R0.3 CON(C)C(=O)CSC 62a_200000210301_100000764215 [0,1,0,0,0,0|2,0,1]=4 853 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_100000764215_200025704644 [0,1,0,0,0,0|2,0,1]=4 854 B8R0.3 CON(C)C(=O)CS[13CH3] 62a_200025704644_100000764215 [0,1,0,0,0,0|2,0,1]=4 855 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,1,0,0,0,0|1,1,1]=4 856 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,1,0,0,0,0|1,1,1]=4 857 B8R0.3 CSCC(=O)C(C)C#N 1458a_100000184570_100000703298 [0,1,0,0,0,0|2,0,1]=4 858 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,0,0,0,0|2,0,1]=4 859 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,0,0,0,0|1,0,2]=4 860 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,0,0,0,0|1,0,2]=4 861 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,1,0,0,0,0|1,0,1]=3 862 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,1,0,0,0,0|1,0,2]=4 863 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,1,0,0,0,0|1,0,2]=4 864 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,1,0,0,0,0|1,0,2]=4 865 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 866 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 867 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 868 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,1,0,0,0,0|2,0,1]=4 869 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,1,0,0,0,0|0,0,3]=4 870 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,1,0,0,0,0|0,0,3]=4 871 B8R0.8 C#CCNC(=O)C(=C)C 11a_100000212058_100000185857 [0,1,0,0,0,0|1,0,2]=4 872 B8R0.8 C#CCNC(=O)C(=C)C 1626a_100000212058_100000185857 [0,1,0,0,0,0|1,0,2]=4 873 B8R0.8 C#CCNC(=O)C(=O)N 240690a_100000212058_100011215815 [0,1,0,0,0,0|1,0,2]=4 874 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|1,0,2]=4 875 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,0,0,0,0|1,0,2]=4 876 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,0,0,0,0|0,0,3]=4 877 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,0,0,0,0|0,0,3]=4 878 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,1,0,0,0,0|1,0,1]=3 879 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,1,0,0,0,0|1,0,1]=3 880 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,1,0,0,0,0|2,0,1]=4 882 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,1,0,0,0,0|3,0,0]=4 883 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,1,0,0,0,0|1,0,1]=3 884 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,1,0,0,0,0|1,0,1]=3 885 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,1,0,0,0,0|1,0,1]=3 886 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,1,0,0,0,0|1,0,1]=3 887 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,0,0,0,0|1,0,0]=2 888 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,0,0,0,0|1,0,0]=2 889 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,0,0,0,0|1,0,0]=2 890 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,0,0,0,0|1,0,0]=2 891 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,0,0,0,0|1,0,0]=2 892 B8R0.8 C=C(C)C(=O)NCC#N 1626a_100000734998_100000185857 [0,1,0,0,0,0|2,0,1]=4 893 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,0,0,0,0|1,0,0]=2 894 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,0,0,0,0|1,0,0]=2 895 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,1,0,0,0,0|2,0,1]=4 899 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,1,0,0,0,0|1,0,1]=3 900 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,1,0,0,0,0|1,0,1]=3 901 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,1,0,0,0,0|2,0,1]=4 902 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,1,0,0,0,0|1,0,1]=3 905 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,1,0,0,0,0|1,0,1]=3 906 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,1,0,0,0,0|1,0,1]=3 910 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|1,0,2]=4 911 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,1,0,0,0,0|1,0,2]=4 913 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 914 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 915 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 916 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,1,0,0,0,0|2,0,1]=4 917 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,1,0,0,0,0|0,0,3]=4 918 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,1,0,0,0,0|0,0,3]=4 919 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,1,0,0,0,0|2,0,1]=4 922 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,1,0,0,0,0|2,0,1]=4 923 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,1,0,0,0,0|1,0,2]=4 924 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,1,0,0,0,0|1,0,2]=4 925 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,1,0,0,0,0|1,0,2]=4 926 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,1,0,0,0,0|1,0,2]=4 927 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,1,0,0,0,0|0,0,3]=4 928 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,1,0,0,0,0|0,0,3]=4 929 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,1,0,0,0,0|1,0,0]=2 930 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,1,0,0,0,0|1,0,0]=2 931 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,0,0,0,0|2,0,1]=4 934 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,0,0,0,0|2,0,1]=4 935 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,0,0,0,0|2,0,1]=4 937 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,0,0,0,0|2,0,1]=4 938 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,0,0,0,0|2,0,1]=4 939 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,0,0,0,0|2,0,1]=4 940 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 941 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 942 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,1,0,0,0,0|2,0,1]=4 943 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,1,0,0,0,0|2,0,1]=4 944 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,0,0,0,0|2,0,0]=3 945 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,0,0,0,0|2,0,0]=3 946 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,1,0,0,0,0|1,0,2]=4 947 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,1,0,0,0,0|1,0,2]=4 948 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,0,0,0,0|1,0,1]=3 949 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,0,0,0,0|1,0,1]=3 950 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,1,0,0,0,0|2,0,1]=4 951 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,1,0,0,0,0|2,0,1]=4 952 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 953 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 954 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,0,0,0,0|2,0,1]=4 956 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,1,0,0,0,0|1,0,2]=4 961 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,0,0,0,0|1,0,1]=3 962 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,0,0,0,0|1,0,1]=3 963 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 964 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 965 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 966 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,0,0,0,0|2,0,1]=4 967 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,0,0,0,0|2,0,1]=4 968 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|1,0,2]=4 970 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|1,0,2]=4 971 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,0,0,0,0|1,0,2]=4 972 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 973 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 975 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,0,0,0,0|0,0,3]=4 977 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,0,0,0,0|0,0,3]=4 978 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,1,0,0,0,0|2,0,1]=4 979 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,0,0,0,0|1,0,2]=4 980 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,0,0,0,0|1,0,0]=2 981 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,0,0,0,0|1,0,0]=2 982 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,0,0,0,0|1,0,2]=4 983 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,0,0,0,0|1,0,1]=3 987 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,0,0,0,0|1,0,1]=3 988 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,0,0,0,0|1,0,1]=3 989 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,0,0,0,0|1,0,2]=4 990 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 991 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 992 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 993 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,0,0,0,0|2,0,0]=3 994 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,0,0,0,0|0,0,2]=3 995 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,0,0,0,0|0,0,2]=3 996 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,0,0,0,0|1,0,1]=3 997 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,0,0,0,0|1,0,1]=3 998 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,0,0,0,0|1,0,1]=3 999 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,0,0,0,0|0,0,2]=3 1000 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,0,0,0,0|0,0,2]=3 1001 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,0,0,0,0|2,0,0]=3 1002 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,0,0,0,0|2,0,0]=3 1003 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,0,0,0,0|2,0,0]=3 1004 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,0,0,0,0|2,0,0]=3 1005 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,0,0,0,0|0,0,0]=1 1006 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,0,0,0,0|1,0,0]=2 1007 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,0,0,0,0|0,0,0]=1 1008 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,0,0,0,0|1,0,1]=3 1009 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,0,0,0,0|1,0,1]=3 1010 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,0,0,0,0|1,0,1]=3 1011 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,0,0,0,0|1,0,1]=3 1012 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,0,0,0,0|1,0,1]=3 1013 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,0,0,0,0|1,0,1]=3 1014 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,0,0,0,0|1,0,1]=3 1015 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,0,0,0,0|1,0,1]=3 1016 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,0,0,0,0|2,0,1]=4 1017 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,0,0,0,0|1,0,2]=4 1021 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,0,0,0,0|2,0,0]=3 1022 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,0,0,0,0|0,0,2]=3 1023 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,0,0,0,0|0,0,2]=3 1024 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,0,0,0,0|0,0,2]=3 1025 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,0,0,0,0|2,0,1]=4 1026 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,0,0,0,0|2,0,1]=4 1027 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,0,0,0,0|2,0,1]=4 1028 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,0,0,0,0|1,0,1]=3 1029 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,0,0,0,0|2,0,1]=4 1030 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,0,0,0,0|2,0,1]=4 1032 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,0,0,0,0|2,0,1]=4 1033 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,0,0,0,0|2,0,1]=4 1034 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,0,0,0,0|2,0,1]=4 1035 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,0,0,0,0|1,0,1]=3 1036 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,0,0,0,0|1,0,1]=3 1037 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,0,0,0,0|2,0,1]=4 1038 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,0,0,0,0|2,0,1]=4 1039 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,0,0,0,0|2,0,1]=4 1040 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,0,0,0,0|2,0,1]=4 1041 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,0,0,0,0|2,0,1]=4 1042 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,0,0,0,0|2,0,1]=4 1043 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,0,0,0,0|1,0,1]=3 1044 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,0,0,0,0|2,0,0]=3 1045 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,0,0,0,0|2,0,0]=3 1046 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,0,0,0,0|2,0,1]=4 1047 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,0,0,0,0|2,0,1]=4 1048 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,1,0,0,0,0|2,0,0]=3 1049 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,0,0,0,0|2,0,1]=4 1050 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,0,0,0,0|2,0,1]=4 1051 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,0,0,0,0|1,0,2]=4 1052 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,0,0,0,0|1,0,2]=4 1053 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,0,0,0,0|0,0,0]=1 1054 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|1,0,1]=3 1055 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|1,0,1]=3 1056 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 1057 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 1058 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 1059 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,0,0,0,0|2,0,0]=3 1060 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,0,0,0,0|2,0,0]=3 1061 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,0,0,0,0|1,0,1]=3 1062 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,0,0,0,0|1,0,1]=3 1063 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,0,0,0,0|2,0,1]=4 1064 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,0,0,0,0|0,0,0]=1 1065 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,0,0,0,0|0,0,0]=1 1066 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,0,0,0,0|1,0,1]=3 1067 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,0,0,0,0|1,0,1]=3 1068 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,0,0,0,0|1,0,1]=3 1069 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 1070 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 1071 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 1072 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,0,0,0,0|2,0,0]=3 1073 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,0,0,0,0|2,0,0]=3 1074 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,0,0,0,0|2,0,0]=3 1075 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 1076 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 1077 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 1078 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,1,0,0,0,0|2,0,1]=4 1079 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,0,0,0,0|2,0,0]=3 1080 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,0,0,0,0|2,0,0]=3 1081 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,0,0,0,0|2,0,0]=3 1082 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,0,0,0,0|2,0,0]=3 1083 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,1,0,0,0,0|3,0,0]=4 1084 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,1,0,0,0,0|3,0,0]=4 1085 B8R0.8 CNCCC(=C(F)F)F 2230a_106832991635_100000036642 [0,1,0,0,0,0|3,0,0]=4 1086 B8R0.8 CNCCC(=C(F)F)F 34a_100102657272_100009813398 [0,1,0,0,0,0|3,0,0]=4 1087 B8R0.8 CNCCC(=C(F)F)F 7a_106832991635_100009813398 [0,1,0,0,0,0|3,0,0]=4 1088 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,0,0,0,0|2,0,0]=3 1089 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 1090 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,0,0,0,0|2,0,0]=3 1091 B8R0.8 COCCC(=C(F)F)F 34a_100000068906_200000210301 [0,1,0,0,0,0|3,0,0]=4 1092 B8R0.8 COCCC(=C(F)F)F 34a_100138415774_100009813398 [0,1,0,0,0,0|3,0,0]=4 1093 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,0,0,0,0|1,0,1]=3 1094 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,0,0,0,0|1,0,1]=3 1095 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,0,0,0,0|1,0,1]=3 1096 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,1,0,0,0,0|1,0,2]=4 1097 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 1098 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 1099 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 1100 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,0,0,0,0|2,0,0]=3 1101 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,0,0,0,0|2,0,0]=3 1102 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,0,0,0,0|0,0,2]=3 1103 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,0,0,0,0|0,0,2]=3 1104 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 1105 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 1106 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,1,0,0,0,0|2,0,0]=3 1107 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,1,0,0,0,0|2,0,0]=3 1108 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,1,0,0,0,0|2,0,1]=4 1109 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,1,0,0,0,0|2,0,1]=4 1110 B8R0.8 CSCCC(=C(F)F)F 62a_100009813398_200000210301 [0,1,0,0,0,0|3,0,0]=4 1111 B8R0.8 CSCCC(=C(F)F)F 62a_200000210301_100009813398 [0,1,0,0,0,0|3,0,0]=4 1112 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,0,0,0,0|1,0,1]=3 1113 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,0,0,0,0|1,0,1]=3 1114 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,0,0,0,0|1,0,1]=3 1115 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,1,0,0,0,0|1,0,2]=4 1116 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 1117 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 1118 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 1119 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,0,0,0,0|2,0,0]=3 1120 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,0,0,0,0|2,0,0]=3 1121 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,0,0,0,0|2,0,0]=3 1122 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,0,0,0,0|0,0,2]=3 1123 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,0,0,0,0|0,0,2]=3 1124 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,0,0,0,0|0,0,2]=3 1125 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,0,0,0,0|0,0,2]=3 1126 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 1127 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 1128 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,0,0,0,0|2,0,0]=3 1129 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,0,0,0,0|2,0,0]=3 1130 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,0,0,0,0|2,0,1]=4 1131 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,0,0,0,0|2,0,1]=4 1132 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,0,0,0,0|2,0,1]=4 1133 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,0,0,0,0|2,0,1]=4 1134 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,0,0,0,0|2,0,1]=4 1135 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,1,0,0,0,0|0,0,3]=4 1136 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,0,0,0,0|0,0,2]=3 1137 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,0,0,0,0|0,0,2]=3 1138 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,0,0,0,0|1,0,2]=4 1139 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,0,0,0,0|1,0,2]=4 1140 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,1,0,0,0,0|0,0,3]=4 1141 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,0,0,0,0|0,0,2]=3 1142 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,0,0,0,0|0,0,2]=3 1143 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,0,0,0,0|1,0,2]=4 1144 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,0,0,0,0|1,0,2]=4 1145 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,0,0,0,0|1,0,2]=4 1146 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,1,0,0,0,0|2,0,0]=3 1147 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,1,0,0,0,0|2,0,0]=3 1148 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,1,0,0,0,0|1,0,2]=4 1149 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,0,0,0,0|1,0,2]=4 1150 B8R0.8 [13CH3]OCCC(=C(F)F)F 34a_100000068906_200025704644 [0,1,0,0,0,0|3,0,0]=4 1151 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_100009813398_200025704644 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_200025704644_100009813398 [0,1,0,0,0,0|3,0,0]=4 1153 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,0,0,0,0|1,0,1]=3 1154 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,0,0,0,0|1,0,1]=3 1155 B8R0.12 CCCS(=O)(=O)N(C)C 270084a_100102631434_100000211391 [0,1,0,0,0,0|3,0,0]=4 1156 B8R0.12 CCCS(=O)(=O)N(C)C 274078a_100102631434_100000211391 [0,1,0,0,0,0|3,0,0]=4 1157 B8R0.12 CCCS(=O)(=O)N(C)C 40a_100102631434_100000054278 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,0,0,0,0|2,0,1]=4 1159 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,0,0,0,0|2,0,1]=4 1160 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,0,0,0,0|2,0,1]=4 1161 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,0,0,0,0|2,0,1]=4 1162 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,0,0,0,0|2,0,1]=4 1163 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,0,0,0,0|2,0,1]=4 1164 B8R0.14 CC(C)(C)C(=O)CCF 1458a_106744555173_100011217306 [0,1,0,0,0,0|2,0,1]=4 1165 B8R0.14 CC(C)(C)C(=O)CCO 1458a_106744555173_100000211926 [0,1,0,0,0,0|2,0,1]=4 1166 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 34a_200011592769_200025704644 [0,1,0,0,0,0|2,0,1]=4 1167 B8R0.14 CC(C)(C)C(=O)CO[13CH3] 7a_200011592769_200025704644 [0,1,0,0,0,0|2,0,1]=4 1168 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_100000210923_200025704644 [0,1,0,0,0,0|2,0,1]=4 1169 B8R0.14 CC(C)(C)C(=O)CS[13CH3] 62a_200025704644_100000210923 [0,1,0,0,0,0|2,0,1]=4 1170 B8R0.14 CC(C)(F)C(=O)CCF 1458a_100000765255_100011217306 [0,1,0,0,0,0|2,0,1]=4 1171 B8R0.14 CC(C)(F)C(=O)CCO 1458a_100000765255_100000211926 [0,1,0,0,0,0|2,0,1]=4 1172 B8R0.14 CC(C)(O)C(=O)CCF 1458a_100000242741_100011217306 [0,1,0,0,0,0|1,0,2]=4 1173 B8R0.14 CC(C)(O)C(=O)CCO 1458a_100000242741_100000211926 [0,1,0,0,0,0|1,0,2]=4 1174 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [0,1,0,0,0,0|1,0,1]=3 1175 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [0,1,0,0,0,0|1,0,1]=3 1176 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [0,1,0,0,0,0|0,0,2]=3 1177 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100000211992_200000243211 [0,1,0,0,0,0|2,0,1]=4 1178 B8R0.14 CCCC(=O)C(F)(F)F 1458a_100015355933_100000210303 [0,1,0,0,0,0|2,0,1]=4 1179 B8R0.14 CCCN(C)S(=O)(=O)C 40a_100000747261_100000738038 [0,1,0,0,0,0|3,0,0]=4 1180 B8R0.14 CCNC(=O)C(C)(C)C 11a_100015525214_106744555173 [0,1,0,0,0,0|2,0,1]=4 1181 B8R0.14 CCNC(=O)C(C)(C)C 240690a_100015525214_106744555173 [0,1,0,0,0,0|2,0,1]=4 1182 B8R0.14 CCNC(=O)C(C)(C)C 527a_100015525214_106744555173 [0,1,0,0,0,0|2,0,1]=4 1183 B8R0.14 CCNC(=O)C(C)(C)F 11a_100015525214_100000765255 [0,1,0,0,0,0|2,0,1]=4 1184 B8R0.14 CCNC(=O)C(C)(C)F 240690a_100015525214_100000765255 [0,1,0,0,0,0|2,0,1]=4 1185 B8R0.14 CCNC(=O)C(C)(C)F 527a_100015525214_100000765255 [0,1,0,0,0,0|2,0,1]=4 1186 B8R0.14 CCNC(=O)C(C)(C)O 240690a_100015525214_100000242741 [0,1,0,0,0,0|1,0,2]=4 1187 B8R0.14 CCNC(=O)C(C)(F)F 11a_100015525214_100000042251 [0,1,0,0,0,0|2,0,1]=4 1188 B8R0.14 CCNC(=O)C(C)(F)F 240690a_100015525214_100000042251 [0,1,0,0,0,0|2,0,1]=4 1189 B8R0.14 CCNC(=O)C(C)(F)F 527a_100015525214_100000042251 [0,1,0,0,0,0|2,0,1]=4 1190 B8R0.14 CNCC(=O)C(C)(C)C 34a_100102657272_100000229897 [0,1,0,0,0,0|2,0,1]=4 1191 B8R0.14 CNCC(=O)C(C)(C)C 7a_106832991635_100000210923 [0,1,0,0,0,0|2,0,1]=4 1192 B8R0.14 COCC(=O)C(C)(C)C 34a_100138415774_100000229897 [0,1,0,0,0,0|2,0,1]=4 1193 B8R0.14 COCC(=O)C(C)(C)C 34a_200011592769_200000210301 [0,1,0,0,0,0|2,0,1]=4 1194 B8R0.14 COCC(=O)C(C)(C)C 7a_200011592769_200000210301 [0,1,0,0,0,0|2,0,1]=4 1195 B8R0.14 CSCC(=O)C(C)(C)C 62a_100000210923_200000210301 [0,1,0,0,0,0|2,0,1]=4 1196 B8R0.14 CSCC(=O)C(C)(C)C 62a_200000210301_100000210923 [0,1,0,0,0,0|2,0,1]=4 1197 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,0,0,0,0|1,0,1]=3 1198 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,0,0,0,0|1,0,1]=3 1199 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,0,0,0,0|1,0,1]=3 1200 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,1,0,0,0,0|1,0,2]=4 1201 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,1,0,0,0,0|1,0,2]=4 1202 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,1,0,0,0,0|1,0,2]=4 1203 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,1,0,0,0,0|1,0,2]=4 1204 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,1,0,0,0,0|2,0,0]=3 1205 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,1,0,0,0,0|2,0,0]=3 1206 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,1,0,0,0,0|2,0,0]=3 1207 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,1,0,0,0,0|2,0,0]=3 1208 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,1,0,0,0,0|2,0,1]=4 1210 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,1,0,0,0,0|2,0,1]=4 1211 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,1,0,0,0,0|2,0,1]=4 1212 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,1,0,0,0,0|2,0,1]=4 1213 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,1,0,0,0,0|2,0,1]=4 1214 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,1,0,0,0,0|3,0,0]=4 1215 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,1,0,0,0,0|3,0,0]=4 1216 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,1,0,0,0,0|2,0,1]=4 1217 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,1,0,0,0,0|2,0,1]=4 1218 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,0,0|2,0,1]=4 1219 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,0,0|2,0,1]=4 1220 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,0|1,0,0]=2 1221 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,0,0,0,0|1,0,0]=2 1222 B8R0.23 C=C(C)C(=O)CC(F)F 1458a_100000185857_100011934356 [0,1,0,0,0,0|2,0,0]=3 1223 B8R0.23 C=C(C)C(=O)C[N+](=O)[O-] 1458a_100000185857_100000761209 [0,1,0,0,0,0|3,0,0]=4 1224 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,0,0,0,0|2,0,0]=3 1225 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,0,0,0,0|2,0,0]=3 1226 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [0,1,0,0,0,0|1,0,1]=3 1227 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,0|1,0,2]=4 1228 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,1,0,0,0,0|1,0,2]=4 1229 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,1,0,0,0,0|0,0,3]=4 1230 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,1,0,0,0,0|0,0,3]=4 1231 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,0|2,0,1]=4 1232 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,0|2,0,1]=4 1233 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,0|2,0,1]=4 1234 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,1,0,0,0,0|2,0,1]=4 1235 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,1,0,0,0,0|2,0,1]=4 1236 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,1,0,0,0,0|2,0,1]=4 1237 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,1,0,0,0,0|2,0,1]=4 1238 B8R0.23 C=C(F)CC(=O)C(=C)C 1458a_100000185857_100009893438 [0,1,0,0,0,0|1,0,2]=4 1239 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,0|1,0,0]=2 1240 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,0|1,0,0]=2 1241 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|1,0,1]=3 1242 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,0|2,0,1]=4 1243 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|2,0,1]=4 1244 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|2,0,1]=4 1246 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|2,0,1]=4 1247 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,0|0,0,1]=2 1248 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,0|1,0,2]=4 1249 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,0|2,0,1]=4 1250 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,0|2,0,1]=4 1251 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,0|2,0,1]=4 1252 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1253 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1254 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,0|2,0,0]=3 1255 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,0|2,0,0]=3 1256 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|2,0,0]=3 1257 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|2,0,0]=3 1258 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|0,0,2]=3 1259 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,1,0,0,0,0|2,0,1]=4 1263 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,0|1,0,1]=3 1264 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,1,0,0,0,0|2,0,1]=4 1265 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,0,0,0,0|1,0,1]=3 1266 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,0,0,0,0|1,0,1]=3 1267 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,1,0,0,0,0|1,0,1]=3 1268 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,0,0,0,0|1,0,2]=4 1269 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,0,0,0,0|2,0,0]=3 1270 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,0,0,0,0|2,0,0]=3 1271 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,0,0,0,0|2,0,0]=3 1272 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,0,0,0,0|2,0,0]=3 1273 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,0|0,0,2]=3 1274 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,0|0,0,2]=3 1275 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|0,0,2]=3 1276 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,0|2,0,0]=3 1277 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,0|1,0,0]=2 1278 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 1279 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 1280 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 1281 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,1,0,0,0,0|2,0,1]=4 1282 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 1283 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 1284 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 1285 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,1,0,0,0,0|2,0,1]=4 1286 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,1,0,0,0,0|3,0,0]=4 1287 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,0,0,0,0|1,0,2]=4 1288 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,0,0,0,0|1,0,2]=4 1289 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,0,0,0,0|1,0,2]=4 1290 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,0|2,0,1]=4 1291 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [0,1,0,0,0,0|2,0,1]=4 1292 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,0|1,0,1]=3 1293 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,0,0,0,0|1,0,1]=3 1294 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,1,0,0,0,0|1,0,2]=4 1295 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,0,0,0,0|0,0,2]=3 1296 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,0,0,0,0|0,0,2]=3 1297 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [0,1,0,0,0,0|3,0,0]=4 1298 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [0,1,0,0,0,0|3,0,0]=4 1299 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [0,1,0,0,0,0|3,0,0]=4 1300 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [0,1,0,0,0,0|3,0,0]=4 1301 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [0,1,0,0,0,0|3,0,0]=4 1302 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [0,1,0,0,0,0|3,0,0]=4 1303 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [0,1,0,0,0,0|3,0,0]=4 1304 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [0,1,0,0,0,0|3,0,0]=4 1305 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [0,1,0,0,0,0|3,0,0]=4 1306 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [0,1,0,0,0,0|3,0,0]=4 1307 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [0,1,0,0,0,0|3,0,0]=4 1308 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [0,1,0,0,0,0|1,0,2]=4 1309 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,1,0,0,0,0|2,0,0]=3 1310 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [0,1,0,0,0,0|1,0,2]=4 1311 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,1,0,0|1,0,0]=2 1312 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [0,0,0,1,0,0|2,0,0]=3 1313 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [0,0,0,1,0,0|2,0,0]=3 1314 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,1,0,0|1,0,1]=3 1315 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,1,0,0|1,0,1]=3 1316 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,1,0,0|0,1,1]=3 1317 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,1,0,0|2,0,1]=4 1318 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,1,0,0|2,0,1]=4 1319 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,1,0,0|2,0,0]=3 1320 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,1,0,0|2,0,0]=3 1321 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,1,0,0|3,0,0]=4 1322 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,1,0,0|3,0,0]=4 1323 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,1,0,0|3,0,0]=4 1324 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,1,0,0|0,0,2]=3 1325 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,1,0,0|1,0,0]=2 1326 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [0,0,0,1,0,0|2,0,0]=3 1327 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [0,0,0,1,0,0|2,0,0]=3 1328 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,1,0,0|1,0,1]=3 1329 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,1,0,0|0,1,1]=3 1330 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,1,0,0|2,0,1]=4 1331 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,1,0,0|0,0,2]=3 1332 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,0,1,0,0|2,0,1]=4 1333 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,0,1,0,0|2,0,1]=4 1334 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,0,1,0,0|2,0,1]=4 1335 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|1,0,1]=3 1336 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,0|2,0,1]=4 1337 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,0|2,0,1]=4 1338 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,0|2,0,0]=3 1339 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,0|2,0,0]=3 1340 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,0|2,0,0]=3 1341 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,0,0,1,0,0|3,0,0]=4 1342 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,0,0,1,0,0|3,0,0]=4 1343 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,0,0,1,0,0|3,0,0]=4 1344 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,0,0|3,0,0]=4 1345 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,0,0|3,0,0]=4 1346 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,0,0|3,0,0]=4 1347 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,0|2,0,1]=4 1348 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|1,0,1]=3 1349 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,0|2,0,1]=4 1350 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,0|2,0,1]=4 1351 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,0|2,0,1]=4 1352 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,0,1,0,0|1,0,1]=3 1353 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,0,1,0,0|0,0,2]=3 1354 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,0,1,0,0|2,0,1]=4 1355 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,0,1,0,0|2,0,1]=4 1356 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,0,1,0,0|2,0,1]=4 1357 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,0,1,0,0|1,0,2]=4 1358 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,0,1,0,0|1,0,2]=4 1359 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,0,1,0,0|1,0,2]=4 1360 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,0,1,0,0|2,0,1]=4 1361 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,0,1,0,0|2,0,1]=4 1362 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,0,1,0,0|2,0,1]=4 1363 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,0,1,0,0|2,0,1]=4 1364 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,0,1,0,0|2,0,1]=4 1365 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,0,1,0,0|2,0,1]=4 1366 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,0,1,0,0|2,0,1]=4 1367 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,0,0,1,0,0|2,0,1]=4 1368 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,0,0,1,0,0|1,0,2]=4 1369 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,0,0,1,0,0|2,0,1]=4 1370 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,0,0,1,0,0|1,0,2]=4 1371 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,0,1,0,0|2,0,1]=4 1372 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,0,1,0,0|2,0,1]=4 1373 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,0,1,0,0|2,0,1]=4 1374 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,0|1,0,1]=3 1375 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,0|1,0,1]=3 1376 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,0,0,1,0,0|2,0,0]=3 1377 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,0,0,1,0,0|2,0,0]=3 1378 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,0,0,1,0,0|2,0,0]=3 1379 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,0,0,1,0,0|2,0,0]=3 1380 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,0,0,1,0,0|1,0,1]=3 1381 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,0,0,1,0,0|2,0,1]=4 1382 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,0,0,1,0,0|2,0,0]=3 1383 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,0,0,1,0,0|2,0,0]=3 1384 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,0,0,1,0,0|2,0,0]=3 1385 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,0,0,1,0,0|2,0,0]=3 1386 B8R1.54 CN(C)C(=O)C1CO1 11a_100102631434_100000701028 [0,0,0,1,0,0|3,0,0]=4 1387 B8R1.54 CN(C)C(=O)C1CO1 1626a_100102631434_100000701028 [0,0,0,1,0,0|3,0,0]=4 1388 B8R1.54 CN(C)C(=O)C1CO1 240690a_100102631434_100000701028 [0,0,0,1,0,0|3,0,0]=4 1389 B8R1.54 CN(C)C(=O)C1CO1 527a_100102631434_100000701028 [0,0,0,1,0,0|3,0,0]=4 1390 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,1,0,0|1,0,1]=3 1391 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,1,0,0|0,0,2]=3 1392 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,0,0,1,0,0|2,0,1]=4 1393 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,0,0,1,0,0|1,0,2]=4 1394 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,1,0,0|1,0,1]=3 1395 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,0,0,1,0,0|2,0,1]=4 1396 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,1,0,0|0,0,2]=3 1397 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,0,0,1,0,0|1,0,2]=4 1398 B8R0.5 C#CCC(=O)C=C(C)C 1458a_100000211388_100000184674 [0,0,0,0,0,1|1,0,2]=4 1399 B8R0.5 C#CCC(=O)C=C(C)Cl 1458a_200042562850_100000184674 [0,0,0,0,0,1|1,0,2]=4 1400 B8R0.5 C#CCC(=O)C=C(C)I 1458a_100025716642_100000184674 [0,0,0,0,0,1|1,0,2]=4 1401 B8R0.5 C#CCC(=O)CC(=C)C 1458a_100011220946_100000748629 [0,0,0,0,0,1|1,0,2]=4 1402 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100011220946_100000187820 [0,0,0,0,0,1|1,0,2]=4 1403 B8R0.5 C#CCC(=O)CC(=O)N 1458a_100134613110_100000184674 [0,0,0,0,0,1|1,0,2]=4 1404 B8R0.5 C#CCC(=O)CC(=O)[O-] 1458a_100011220946_100020667443 [0,0,0,0,0,1|1,0,2]=4 1405 B8R0.5 C=C(C)CC(=O)C#CC 1458a_100000763181_100000748629 [0,0,0,0,0,1|1,0,2]=4 1406 B8R0.5 C=C(C)CC(=O)C=CC 1458a_100000210699_100000748629 [0,0,0,0,0,1|1,0,2]=4 1407 B8R0.5 C=C(C)CC(=O)CC#N 1458a_100051588842_100000748629 [0,0,0,0,0,1|2,0,1]=4 1408 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,0,0,0,0,1|1,0,0]=2 1409 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,0,0,0,0,1|2,0,0]=3 1410 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,0,0,0,0,1|2,0,0]=3 1411 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,0,0,0,0,1|2,0,0]=3 1412 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,0,0,0,0,1|3,0,0]=4 1413 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,0,0,0,0,1|3,0,0]=4 1414 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,0,0,0,0,1|3,0,0]=4 1415 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,0,0,0,0,1|3,0,0]=4 1416 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,0,0,0,0,1|1,0,0]=2 1417 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,0,0,0,0,1|1,0,0]=2 1418 B8R0.5 C=C(F)CC(=O)CCC 1458a_100000211992_100009893438 [0,0,0,0,0,1|1,0,1]=3 1419 B8R0.5 C=C(F)CC(=O)CCO 1458a_100011216618_100009893438 [0,0,0,0,0,1|2,0,1]=4 1420 B8R0.5 C=C(F)CC(=O)COC 1458a_100000210968_100009893438 [0,0,0,0,0,1|2,0,1]=4 1421 B8R0.5 C=C(F)CC(=O)CSC 1458a_100000184570_100009893438 [0,0,0,0,0,1|2,0,1]=4 1422 B8R0.5 C=CCC(=O)C=C(C)C 1458a_100000211388_100000210623 [0,0,0,0,0,1|1,0,2]=4 1423 B8R0.5 C=CCC(=O)C=C(C)Cl 1458a_200042562850_100000210623 [0,0,0,0,0,1|1,0,2]=4 1424 B8R0.5 C=CCC(=O)C=C(C)I 1458a_100025716642_100000210623 [0,0,0,0,0,1|1,0,2]=4 1425 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [0,0,0,0,0,1|1,0,2]=4 1426 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,0,0,0,0,1|1,0,2]=4 1427 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,0,0,0,0,1|1,0,2]=4 1428 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [0,0,0,0,0,1|1,0,2]=4 1429 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [0,0,0,0,0,1|1,0,2]=4 1430 B8R0.5 CC#CC(=O)CC(=O)N 1458a_100000763181_100000187820 [0,0,0,0,0,1|1,0,2]=4 1431 B8R0.5 CC#CC(=O)CC(=O)[O-] 1458a_100000763181_100020667443 [0,0,0,0,0,1|1,0,2]=4 1432 B8R0.5 CC(=CC(=O)CC#N)C 1458a_100000211388_100011214920 [0,0,0,0,0,1|2,0,1]=4 1433 B8R0.5 CC(=CC(=O)CC#N)Cl 1458a_200042562850_100011214920 [0,0,0,0,0,1|2,0,1]=4 1434 B8R0.5 CC(=CC(=O)CC#N)I 1458a_100025716642_100011214920 [0,0,0,0,0,1|2,0,1]=4 1435 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,0,0,0,0,1|2,0,0]=3 1436 B8R0.5 CC(=CC(=O)CCF)Cl 1458a_200042562850_100011217306 [0,0,0,0,0,1|2,0,0]=3 1437 B8R0.5 CC(=CC(=O)CCF)I 1458a_100025716642_100011217306 [0,0,0,0,0,1|2,0,0]=3 1438 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,0,0,0,0,1|2,0,0]=3 1439 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [0,0,0,0,0,1|2,0,0]=3 1440 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [0,0,0,0,0,1|2,0,0]=3 1441 B8R0.5 CC(=O)CC(=O)NCO 1458a_100000070787_100000185155 [0,0,0,0,0,1|2,0,0]=3 1442 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,0,0,0,0,1|1,0,0]=2 1443 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,0,0,0,0,1|2,0,1]=4 1444 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,0,0,0,0,1|2,0,1]=4 1445 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,0,0,0,0,1|2,0,1]=4 1446 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,0,0,0,0,1|2,0,1]=4 1447 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,0,0,0,0,1|2,0,1]=4 1448 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,0,0,0,0,1|2,0,1]=4 1449 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,0,0,0,0,1|2,0,1]=4 1450 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,0,0,0,0,1|2,0,1]=4 1451 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,0,0,0,0,1|2,0,1]=4 1452 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,0,0,0,0,1|2,0,1]=4 1453 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,0,0,0,0,1|2,0,1]=4 1454 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,0,0,0,0,1|1,0,2]=4 1455 B8R0.5 CC=CC(=O)CC(=O)N 1458a_100000210699_100000187820 [0,0,0,0,0,1|1,0,2]=4 1456 B8R0.5 CC=CC(=O)CC(=O)[O-] 1458a_100000210699_100020667443 [0,0,0,0,0,1|1,0,2]=4 1457 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,0,0,0,0,1|1,0,0]=2 1458 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,0,0,0,0,1|1,0,0]=2 1459 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,0,0,0,0,1|1,0,0]=2 1460 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [0,0,0,0,0,1|1,0,0]=2 1461 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [0,0,0,0,0,1|1,0,0]=2 1462 B8R0.5 CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210303 [0,0,0,0,0,1|2,0,0]=3 1463 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,0,0,0,0,1|0,0,0]=1 1464 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,0,0,0,0,1|1,0,0]=2 1465 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,0,0,0,0,1|1,0,0]=2 1466 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,0,0,0,0,1|1,0,0]=2 1467 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,0,0,0,0,1|1,0,1]=3 1468 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,0,0,0,0,1|1,0,1]=3 1469 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,0,0,0,0,1|0,0,2]=3 1470 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,0,0,0,0,1|2,0,1]=4 1471 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,0,0,0,0,1|2,0,0]=3 1472 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,0,0,0,0,1|2,0,0]=3 1473 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,0,0,0,0,1|2,0,0]=3 1474 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,0,0,0,0,1|0,0,2]=3 1475 B8R0.5 CCCC(=O)C[N+](=O)[O-] 1458a_100000211992_100000761209 [0,0,0,0,0,1|2,0,0]=3 1476 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,0,0,0,0,1|2,0,0]=3 1477 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,0,0,0,0,1|1,0,1]=3 1478 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,0,0,0,0,1|1,0,1]=3 1479 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,0,0,0,0,1|1,0,1]=3 1480 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,0,0,0,0,1|1,0,1]=3 1481 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,0,0,0,0,1|1,0,1]=3 1482 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,0,0,0,0,1|1,0,1]=3 1483 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,0,0,0,0,1|1,0,1]=3 1484 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,0,0,0,0,1|1,0,1]=3 1485 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,0,0,0,0,1|1,0,1]=3 1486 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,0,0,0,0,1|1,0,1]=3 1487 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,0,0,0,0,1|1,0,1]=3 1488 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,0,0,0,0,1|3,0,0]=4 1489 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,0,0,0,0,1|3,0,0]=4 1490 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,0,0,0,0,1|3,0,0]=4 1491 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,0,0,0,0,1|3,0,0]=4 1492 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,0,0,0,0,1|3,0,0]=4 1493 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,0,0,0,0,1|1,0,0]=2 1494 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,0,0,0,0,1|1,0,0]=2 1495 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,0,0,0,0,1|2,0,0]=3 1496 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,0,0,0,0,1|2,0,0]=3 1497 B8R0.5 CCNC(=O)C=C(C)Cl 11a_100015525214_200042562850 [0,0,0,0,0,1|2,0,0]=3 1498 B8R0.5 CCNC(=O)C=C(C)Cl 240690a_100015525214_200042562850 [0,0,0,0,0,1|2,0,0]=3 1499 B8R0.5 CCNC(=O)C=C(C)I 11a_100015525214_100025716642 [0,0,0,0,0,1|2,0,0]=3 1500 B8R0.5 CCNC(=O)C=C(Cl)Cl 240690a_100015525214_100000137448 [0,0,0,0,0,1|3,0,0]=4 1501 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,0,0,0,0,1|1,0,0]=2 1502 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,0,0,0,0,1|2,0,0]=3 1503 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,0,0,0,0,1|2,0,0]=3 1504 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,0,0,0,0,1|2,0,1]=4 1505 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,0,0,0,0,1|2,0,1]=4 1506 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,0,0,0,0,1|2,0,1]=4 1507 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 1508 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,0,0,0,0,1|3,0,0]=4 1509 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,0,0,0,0,1|3,0,0]=4 1510 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 1511 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,0,0,0,0,1|3,0,0]=4 1512 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,0,0,0,0,1|3,0,0]=4 1513 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,0,0,0,0,1|3,0,0]=4 1514 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,0,0,0,0,1|3,0,0]=4 1515 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,0,0,0,0,1|3,0,0]=4 1516 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,0,0,0,0,1|1,0,2]=4 1517 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 1518 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 1519 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,0,0,0,0,1|3,0,0]=4 1520 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,0,0,0,0,1|2,0,1]=4 1521 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,0,0,0,0,1|2,0,1]=4 1522 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,0,0,0,0,1|2,0,1]=4 1523 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,0,0,0,0,1|2,0,1]=4 1524 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,0,0,0,0,1|2,0,1]=4 1525 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,0,0,0,0,1|1,0,0]=2 1526 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,0,0,0,0,1|1,0,0]=2 1527 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,0,0,0,0,1|1,0,0]=2 1528 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,0,0,0,0,1|3,0,0]=4 1529 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,0,0,0,0,1|3,0,0]=4 1530 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,0,0,0,0,1|3,0,0]=4 1531 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,0,0,0,0,1|3,0,0]=4 1532 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,0,0,0,0,1|2,0,1]=4 1533 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,0,0,0,0,1|2,0,1]=4 1534 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,0,0,0,0,1|2,0,1]=4 1535 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,0,0,0,0,1|2,0,1]=4 1536 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,0,0,0,0,1|3,0,0]=4 1537 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,0,0,0,0,1|3,0,0]=4 1538 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,0,0,0,0,1|1,0,0]=2 1539 B8R0.5 CNCC(=O)NC(=O)N 2230a_106832991635_100000182717 [0,0,0,0,0,1|2,0,0]=3 1540 B8R0.5 CNCC(=O)NC(=O)N 7a_106832991635_100000182717 [0,0,0,0,0,1|2,0,0]=3 1541 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,0,0,0,0,1|2,0,1]=4 1542 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,0,0,0,0,1|2,0,1]=4 1543 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,0,0,0,0,1|2,0,1]=4 1544 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,0,0,0,0,1|2,0,1]=4 1545 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,0,0,0,0,1|2,0,1]=4 1546 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,0,0,0,0,1|2,0,1]=4 1547 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,0,0,0,0,1|2,0,1]=4 1548 B8R0.5 CNNC(=O)C=C(C)C 22a_100016993582_100000211388 [0,0,0,0,0,1|3,0,0]=4 1549 B8R0.5 CNNC(=O)C=C(C)Cl 22a_100016993582_200042562850 [0,0,0,0,0,1|3,0,0]=4 1550 B8R0.5 CNNC(=O)CC(=O)N 22a_100016993582_100134613110 [0,0,0,0,0,1|3,0,0]=4 1551 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,0,0,0,0,1|2,0,0]=3 1552 B8R0.5 COCC(=O)CC(=O)[O-] 1458a_100000210968_100020667443 [0,0,0,0,0,1|2,0,0]=3 1553 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,0,0,0,0,1|2,0,1]=4 1554 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,0,0,0,0,1|1,0,2]=4 1555 B8R0.5 COCC(=O)C[N+](=O)[O-] 1458a_100000210968_100000761209 [0,0,0,0,0,1|3,0,0]=4 1556 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,0,0,0,0,1|2,0,1]=4 1557 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,0,0,0,0,1|2,0,1]=4 1558 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,0,0,0,0,1|2,0,1]=4 1559 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,0,0,0,0,1|2,0,1]=4 1560 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,0,0,0,0,1|2,0,1]=4 1561 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,0,0,0,0,1|2,0,1]=4 1562 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,0,0,0,0,1|2,0,1]=4 1563 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,0,0,0,0,1|2,0,1]=4 1564 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,0,0,0,0,1|2,0,1]=4 1565 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,0,0,0,0,1|2,0,1]=4 1566 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,0,0,0,0,1|2,0,0]=3 1567 B8R0.5 CSCC(=O)CC(=O)[O-] 1458a_100000184570_100020667443 [0,0,0,0,0,1|2,0,0]=3 1568 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,0,0,0,0,1|2,0,1]=4 1569 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,0,0,0,0,1|1,0,2]=4 1570 B8R0.5 CSCC(=O)C[N+](=O)[O-] 1458a_100000184570_100000761209 [0,0,0,0,0,1|3,0,0]=4 1571 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,0,0,0,0,1|1,0,0]=2 1572 B8R0.5 CSCC(=O)NC(=O)N 62a_200000210301_100000182717 [0,0,0,0,0,1|2,0,0]=3 1573 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,0,0,0,0,1|2,0,1]=4 1574 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,0,0,0,0,1|2,0,1]=4 1575 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,0,0,0,0,1|2,0,1]=4 1576 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,0,0,0,0,1|2,0,1]=4 1577 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,0,0,0,0,1|2,0,1]=4 1578 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,0,0,0,0,1|2,0,1]=4 1579 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,0,0,0,0,1|2,0,1]=4 1580 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,0,0,0,0,1|2,0,1]=4 1581 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,0,0,0,0,1|1,0,2]=4 1582 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,0,0,0,0,1|1,0,2]=4 1583 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,0,0,0,0,1|3,0,0]=4 1584 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,0,0,0,0,1|3,0,0]=4 1585 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100051588842_100000187820 [0,0,0,0,0,1|2,0,1]=4 1586 B8R0.5 N#CCC(=O)CC(=O)N 1458a_100134613110_100011214920 [0,0,0,0,0,1|2,0,1]=4 1587 B8R0.5 N#CCC(=O)CC(=O)[O-] 1458a_100051588842_100020667443 [0,0,0,0,0,1|2,0,1]=4 1588 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,0,0,0,0,1|2,0,0]=3 1589 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,0,0,0,0,1|2,0,0]=3 1590 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,0,0,0,0,1|2,0,0]=3 1591 B8R0.5 O=C(C=C(Cl)Cl)CCF 1458a_100000137448_100011217306 [0,0,0,0,0,1|3,0,0]=4 1592 B8R0.5 O=C(C=C(Cl)Cl)CCO 1458a_100000137448_100000211926 [0,0,0,0,0,1|3,0,0]=4 1593 B8R0.5 O=C(CCO)C[N+](=O)[O-] 1458a_100011216618_100000761209 [0,0,0,0,0,1|3,0,0]=4 1594 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,0,0,0,0,1|2,0,0]=3 1595 B8R0.5 [13CH3]SCC(=O)NC(=O)N 62a_200025704644_100000182717 [0,0,0,0,0,1|2,0,0]=3 1596 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 1597 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 1598 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 1599 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1600 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [2,0,0,0,0,0|2,0,0]=4 1601 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [2,0,0,0,0,0|2,0,0]=4 1602 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [2,0,0,0,0,0|2,0,0]=4 1603 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [2,0,0,0,0,0|2,0,0]=4 1604 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [2,0,0,0,0,0|2,0,0]=4 1605 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [2,0,0,0,0,0|2,0,0]=4 1606 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [2,0,0,0,0,0|2,0,0]=4 1607 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [2,0,0,0,0,0|2,0,0]=4 1608 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [2,0,0,0,0,0|2,0,0]=4 1609 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [2,0,0,0,0,0|2,0,0]=4 1610 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [2,0,0,0,0,0|2,0,0]=4 1611 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [2,0,0,0,0,0|2,0,0]=4 1612 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [2,0,0,0,0,0|2,0,0]=4 1613 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [2,0,0,0,0,0|2,0,0]=4 1614 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [2,0,0,0,0,0|2,0,0]=4 1615 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [2,0,0,0,0,0|2,0,0]=4 1616 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [2,0,0,0,0,0|2,0,0]=4 1617 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [2,0,0,0,0,0|2,0,0]=4 1618 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [2,0,0,0,0,0|2,0,0]=4 1619 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,2]=4 1620 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,2]=4 1621 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,2]=4 1622 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [2,0,0,0,0,0|0,0,2]=4 1623 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [2,0,0,0,0,0|0,0,2]=4 1624 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|1,0,1]=4 1625 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1626 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|1,0,1]=4 1627 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 1628 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 1629 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 1630 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,0]=3 1631 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,0]=3 1632 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,0]=3 1633 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|0,0,1]=3 1634 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|0,0,1]=3 1635 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,0]=2 1636 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,0]=2 1637 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,0]=2 1638 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1639 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1640 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|2,0,0]=4 1641 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|2,0,0]=4 1642 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1643 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|2,0,0]=4 1644 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1645 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,0]=3 1646 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,0]=3 1647 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 1648 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 1649 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 1650 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 1651 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,1]=4 1652 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 1653 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [2,0,0,0,0,0|2,0,0]=4 1654 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,0]=3 1655 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,0]=3 1656 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 1657 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,0]=3 1658 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 1659 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,0]=3 1660 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 1661 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 1662 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,0]=3 1663 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 1664 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 1665 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|1,0,1]=4 1666 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1667 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|1,0,1]=4 1668 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 1669 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,0]=3 1670 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 1671 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,1]=4 1672 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 1673 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 1674 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 1675 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 1676 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [2,0,0,0,0,0|1,0,0]=3 1677 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [2,0,0,0,0,0|1,0,0]=3 1678 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [2,0,0,0,0,0|1,0,0]=3 1679 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [2,0,0,0,0,0|1,0,0]=3 1680 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [2,0,0,0,0,0|1,0,0]=3 1681 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [2,0,0,0,0,0|1,0,0]=3 1682 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [2,0,0,0,0,0|1,0,0]=3 1683 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [2,0,0,0,0,0|1,0,0]=3 1684 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [2,0,0,0,0,0|1,0,0]=3 1685 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [2,0,0,0,0,0|1,0,0]=3 1686 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [2,0,0,0,0,0|1,0,0]=3 1687 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [2,0,0,0,0,0|1,0,0]=3 1688 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [2,0,0,0,0,0|1,0,0]=3 1689 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [2,0,0,0,0,0|1,0,0]=3 1690 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [2,0,0,0,0,0|1,0,0]=3 1691 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [2,0,0,0,0,0|1,0,0]=3 1692 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [2,0,0,0,0,0|1,0,0]=3 1693 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [2,0,0,0,0,0|2,0,0]=4 1694 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1695 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1696 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 1697 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1698 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 1699 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1700 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 1701 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 1702 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,1]=4 1703 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 1704 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 1705 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 1706 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,1]=4 1707 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,1]=4 1708 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,1]=4 1709 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,1]=4 1710 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,1]=4 1711 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,1]=4 1712 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,1]=4 1713 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|1,0,1]=4 1714 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|1,0,1]=4 1715 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 1716 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 1717 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 1718 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 1719 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|0,0,2]=4 1720 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|0,0,1]=3 1721 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [2,0,0,0,0,0|1,0,1]=4 1722 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [2,0,0,0,0,0|1,0,1]=4 1723 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [2,0,0,0,0,0|1,0,1]=4 1724 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,0,1]=3 1725 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,1]=4 1726 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,0,2]=4 1727 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|1,0,0]=3 1728 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1729 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1730 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|1,0,0]=3 1731 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1732 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|2,0,0]=4 1733 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [2,0,0,0,0,0|2,0,0]=4 1734 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [2,0,0,0,0,0|2,0,0]=4 1735 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [2,0,0,0,0,0|2,0,0]=4 1736 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [2,0,0,0,0,0|1,0,0]=3 1737 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [2,0,0,0,0,0|1,0,0]=3 1738 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|1,0,1]=4 1739 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|1,0,1]=4 1740 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|1,0,1]=4 1741 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1742 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1743 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 1744 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|2,0,0]=4 1745 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|0,0,2]=4 1746 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|0,0,2]=4 1747 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|1,0,1]=4 1748 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|1,0,1]=4 1749 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|0,0,2]=4 1750 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|0,0,2]=4 1751 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|0,0,2]=4 1752 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [1,1,0,0,0,0|0,0,2]=4 1753 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|0,0,2]=4 1754 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [1,1,0,0,0,0|0,0,2]=4 1755 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|0,0,1]=3 1756 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [1,1,0,0,0,0|0,0,1]=3 1757 B7R0.2 C=CC(=O)CC(F)F 1458a_100000185746_100011934356 [1,1,0,0,0,0|1,0,1]=4 1758 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,1,0,0,0,0|1,0,1]=4 1759 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,1,0,0,0,0|1,0,1]=4 1760 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|1,0,1]=4 1761 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,2]=4 1762 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|0,0,2]=4 1763 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|0,0,2]=4 1764 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|0,0,1]=3 1765 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|0,0,1]=3 1766 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,0,1]=3 1767 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [1,1,0,0,0,0|1,0,1]=4 1768 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [1,1,0,0,0,0|1,0,1]=4 1769 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [1,1,0,0,0,0|1,0,1]=4 1770 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,0,1]=3 1771 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [1,1,0,0,0,0|1,0,1]=4 1772 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1773 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1774 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1775 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|1,0,1]=4 1776 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,1]=4 1777 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|1,0,0]=3 1778 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 1779 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 1780 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|1,0,0]=3 1781 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [1,1,0,0,0,0|2,0,0]=4 1782 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [1,1,0,0,0,0|2,0,0]=4 1783 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 1784 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 1785 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [1,1,0,0,0,0|2,0,0]=4 1786 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [1,1,0,0,0,0|2,0,0]=4 1787 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [1,1,0,0,0,0|2,0,0]=4 1788 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,0,0]=3 1789 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [1,1,0,0,0,0|2,0,0]=4 1790 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 1791 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 1792 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [1,1,0,0,0,0|2,0,0]=4 1793 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 1794 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 1795 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1796 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 1797 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 1798 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|1,0,1]=4 1799 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|2,0,0]=4 1802 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 1803 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 1804 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|2,0,0]=4 1805 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|1,0,1]=4 1806 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|0,0,2]=4 1807 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,1,0,0,0,0|0,0,2]=4 1808 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,1,0,0,0,0|0,0,2]=4 1809 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,1,0,0,0,0|0,0,2]=4 1810 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|0,0,2]=4 1811 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [1,1,0,0,0,0|0,0,2]=4 1812 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|0,0,2]=4 1813 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|0,0,2]=4 1814 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,1,0,0,0,0|1,0,1]=4 1815 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 1816 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 1817 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 1818 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|0,0,2]=4 1819 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,1,0,0,0,0|0,0,2]=4 1820 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [1,1,0,0,0,0|0,0,2]=4 1821 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,1,0,0,0,0|0,0,2]=4 1822 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [1,1,0,0,0,0|0,0,2]=4 1823 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|0,0,1]=3 1824 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,1,0,0,0,0|0,0,1]=3 1825 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|0,0,1]=3 1826 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|0,0,1]=3 1827 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|0,0,1]=3 1828 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,1,0,0,0,0|0,0,1]=3 1829 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,1,0,0,0,0|0,0,1]=3 1830 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,1,0,0,0,0|1,0,1]=4 1831 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,1,0,0,0,0|1,0,1]=4 1832 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,1,0,0,0,0|1,0,1]=4 1833 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,1,0,0,0,0|0,0,2]=4 1835 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|0,0,2]=4 1836 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|0,0,2]=4 1837 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,1,0,0,0,0|1,0,1]=4 1838 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,1,0,0,0,0|1,0,1]=4 1839 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,1,0,0,0,0|1,0,1]=4 1840 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,1,0,0,0,0|1,0,1]=4 1841 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,1,0,0,0,0|0,0,2]=4 1842 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|0,0,2]=4 1843 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|0,0,2]=4 1844 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|1,0,1]=4 1845 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 1846 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 1848 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,1,0,0,0,0|0,0,2]=4 1849 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|0,0,2]=4 1850 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|0,0,2]=4 1851 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|0,0,1]=3 1852 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,0,1]=3 1853 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|0,0,1]=3 1854 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|0,0,1]=3 1855 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|0,0,1]=3 1856 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|0,0,1]=3 1857 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,1,0,0,0,0|1,0,1]=4 1858 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,1,0,0,0,0|1,0,1]=4 1859 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1862 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1863 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 1865 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 1866 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|0,0,2]=4 1867 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,1]=4 1868 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 1869 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,1]=4 1870 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|0,0,1]=3 1871 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|0,0,1]=3 1872 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,1]=4 1873 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,2]=4 1874 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,0]=3 1875 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1876 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1877 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,0]=3 1878 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,1,0,0,0,0|0,0,1]=3 1879 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,1,0,0,0,0|0,0,1]=3 1880 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,1,0,0,0,0|0,0,1]=3 1881 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,1,0,0,0,0|0,0,1]=3 1882 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|0,0,2]=4 1883 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|0,0,2]=4 1884 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,1,0,0,0,0|1,0,0]=3 1885 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 1886 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 1887 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,1,0,0,0,0|1,0,0]=3 1888 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,1,0,0,0,0|1,0,0]=3 1889 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,1,0,0,0,0|1,0,0]=3 1890 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,1,0,0,0,0|1,0,0]=3 1891 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,1,0,0,0,0|1,0,0]=3 1892 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,0]=3 1893 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,1,0,0,0,0|1,0,1]=4 1894 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,1,0,0,0,0|2,0,0]=4 1895 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,1,0,0,0,0|2,0,0]=4 1896 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,1,0,0,0,0|2,0,0]=4 1897 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,1,0,0,0,0|0,0,1]=3 1898 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,1,0,0,0,0|0,0,1]=3 1899 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,1,0,0,0,0|1,0,1]=4 1900 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,1,0,0,0,0|1,0,0]=3 1901 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1902 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1903 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,1,0,0,0,0|1,0,0]=3 1904 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,1,0,0,0,0|1,0,0]=3 1905 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,1,0,0,0,0|1,0,0]=3 1906 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,0]=3 1907 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,1,0,0,0,0|0,0,1]=3 1908 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,1,0,0,0,0|0,0,1]=3 1909 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,1,0,0,0,0|0,0,1]=3 1910 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,1,0,0,0,0|1,0,1]=4 1911 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,1,0,0,0,0|1,0,0]=3 1912 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 1913 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 1914 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,1,0,0,0,0|1,0,0]=3 1915 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,1,0,0,0,0|1,0,0]=3 1916 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,1,0,0,0,0|1,0,0]=3 1917 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,0]=3 1918 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,0]=3 1919 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,1,0,0,0,0|1,0,1]=4 1920 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 1921 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 1922 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 1923 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|1,0,0]=3 1924 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|1,0,0]=3 1925 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|1,0,0]=3 1926 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 1927 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 1928 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|1,0,0]=3 1929 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|1,0,0]=3 1930 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|1,0,0]=3 1931 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|1,0,0]=3 1932 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|1,0,0]=3 1933 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1934 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1935 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|1,0,0]=3 1936 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|1,0,0]=3 1937 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|1,0,0]=3 1938 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|1,0,0]=3 1939 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|1,0,0]=3 1940 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,1,0,0,0,0|2,0,0]=4 1941 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,1,0,0,0,0|2,0,0]=4 1942 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,1,0,0,0,0|2,0,0]=4 1943 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1944 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,1,0,0,0,0|2,0,0]=4 1947 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1948 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|2,0,0]=4 1949 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|2,0,0]=4 1950 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|2,0,0]=4 1951 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|1,0,0]=3 1952 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|1,0,0]=3 1953 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|1,0,0]=3 1954 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|1,0,0]=3 1955 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|1,0,0]=3 1956 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1957 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,0]=3 1958 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 1959 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|1,0,0]=3 1960 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|1,0,0]=3 1961 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|1,0,0]=3 1962 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|1,0,0]=3 1963 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,1,0,0,0,0|2,0,0]=4 1964 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,1,0,0,0,0|2,0,0]=4 1965 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|2,0,0]=4 1966 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|1,0,1]=4 1968 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|0,0,2]=4 1969 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|1,0,0]=3 1970 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|0,0,2]=4 1972 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|0,0,2]=4 1973 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|0,0,2]=4 1974 B7R0.7 C#CCC(=O)C=CC 1458a_100000210699_100000184674 [1,1,0,0,0,0|0,0,2]=4 1975 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [1,1,0,0,0,0|0,0,2]=4 1976 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [1,1,0,0,0,0|0,0,2]=4 1977 B7R0.7 C=CCC(=O)C=CC 1458a_100000210699_100000210623 [1,1,0,0,0,0|0,0,2]=4 1978 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [1,1,0,0,0,0|0,0,1]=3 1979 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [1,1,0,0,0,0|0,0,1]=3 1980 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [1,1,0,0,0,0|1,0,1]=4 1981 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [1,1,0,0,0,0|1,0,1]=4 1982 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [1,1,0,0,0,0|1,0,1]=4 1983 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [1,1,0,0,0,0|1,0,1]=4 1984 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [1,1,0,0,0,0|1,0,1]=4 1985 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1986 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1987 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [1,1,0,0,0,0|1,0,1]=4 1988 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [1,1,0,0,0,0|1,0,1]=4 1989 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [1,1,0,0,0,0|1,0,1]=4 1990 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [1,1,0,0,0,0|1,0,1]=4 1991 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [1,1,0,0,0,0|1,0,1]=4 1992 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [1,1,0,0,0,0|1,0,1]=4 1993 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [1,1,0,0,0,0|1,0,1]=4 1994 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [1,1,0,0,0,0|1,0,1]=4 1995 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [1,1,0,0,0,0|0,0,1]=3 1996 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [1,1,0,0,0,0|1,0,1]=4 1997 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [1,1,0,0,0,0|1,0,1]=4 1998 B7R0.7 CC=CC(=O)CC#N 1458a_100000210699_100011214920 [1,1,0,0,0,0|1,0,1]=4 1999 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [1,1,0,0,0,0|0,0,0]=2 2000 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [1,1,0,0,0,0|1,0,0]=3 2001 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [1,1,0,0,0,0|1,0,0]=3 2002 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [1,1,0,0,0,0|1,0,0]=3 2003 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [1,1,0,0,0,0|1,0,0]=3 2004 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [1,1,0,0,0,0|0,0,1]=3 2006 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [1,1,0,0,0,0|0,0,1]=3 2007 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [1,1,0,0,0,0|0,0,1]=3 2008 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [1,1,0,0,0,0|0,0,2]=4 2009 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [1,1,0,0,0,0|0,0,2]=4 2010 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,1,0,0,0,0|0,0,1]=3 2011 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [1,1,0,0,0,0|0,0,1]=3 2012 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,0,1]=3 2013 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,0,1]=3 2014 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [1,1,0,0,0,0|0,0,1]=3 2015 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [1,1,0,0,0,0|0,0,1]=3 2016 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|0,0,1]=3 2017 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [1,1,0,0,0,0|0,0,1]=3 2018 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [1,1,0,0,0,0|0,0,1]=3 2019 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [1,1,0,0,0,0|0,0,1]=3 2020 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [1,1,0,0,0,0|0,0,1]=3 2021 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [1,1,0,0,0,0|0,0,1]=3 2022 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [1,1,0,0,0,0|0,0,1]=3 2023 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [1,1,0,0,0,0|0,0,1]=3 2024 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [1,1,0,0,0,0|0,0,1]=3 2025 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [1,1,0,0,0,0|1,0,0]=3 2026 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2027 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2028 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [1,1,0,0,0,0|1,0,1]=4 2029 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [1,1,0,0,0,0|1,0,1]=4 2030 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [1,1,0,0,0,0|1,0,1]=4 2031 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|1,0,1]=4 2032 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [1,1,0,0,0,0|1,0,1]=4 2033 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 2034 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [1,1,0,0,0,0|1,0,1]=4 2035 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [1,1,0,0,0,0|1,0,1]=4 2036 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [1,1,0,0,0,0|1,0,1]=4 2037 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 2038 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 2039 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [1,1,0,0,0,0|1,0,1]=4 2040 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [1,1,0,0,0,0|1,0,1]=4 2041 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 2042 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 2043 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [1,1,0,0,0,0|1,0,1]=4 2044 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [1,1,0,0,0,0|1,0,1]=4 2045 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [1,1,0,0,0,0|1,0,1]=4 2046 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [1,1,0,0,0,0|1,0,1]=4 2047 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [1,1,0,0,0,0|1,0,1]=4 2048 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 2049 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 2050 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [1,1,0,0,0,0|1,0,1]=4 2051 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 2052 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [1,1,0,0,0,0|2,0,0]=4 2053 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [1,1,0,0,0,0|2,0,0]=4 2054 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [1,1,0,0,0,0|1,0,1]=4 2055 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [1,1,0,0,0,0|1,0,1]=4 2056 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [1,1,0,0,0,0|1,0,1]=4 2057 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [1,1,0,0,0,0|1,0,1]=4 2058 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [1,1,0,0,0,0|1,0,1]=4 2059 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [1,1,0,0,0,0|1,0,1]=4 2060 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [1,1,0,0,0,0|1,0,1]=4 2061 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [1,1,0,0,0,0|1,0,1]=4 2062 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [1,1,0,0,0,0|2,0,0]=4 2064 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [1,1,0,0,0,0|2,0,0]=4 2065 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [1,1,0,0,0,0|2,0,0]=4 2066 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [1,1,0,0,0,0|2,0,0]=4 2067 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [1,1,0,0,0,0|2,0,0]=4 2068 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [1,1,0,0,0,0|1,0,1]=4 2069 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|1,0,1]=4 2070 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [1,1,0,0,0,0|2,0,0]=4 2071 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [1,1,0,0,0,0|1,0,1]=4 2072 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|1,0,1]=4 2073 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [1,1,0,0,0,0|2,0,0]=4 2075 B7R0.7 O=C(C=CBr)CCF 1458a_100016273825_100011217306 [1,1,0,0,0,0|1,0,1]=4 2076 B7R0.7 O=C(C=CBr)CCO 1458a_100016273825_100000211926 [1,1,0,0,0,0|1,0,1]=4 2077 B7R0.7 O=C(C=CCl)CCF 1458a_200016279998_100011217306 [1,1,0,0,0,0|1,0,1]=4 2078 B7R0.7 O=C(C=CCl)CCO 1458a_200016279998_100000211926 [1,1,0,0,0,0|1,0,1]=4 2079 B7R0.7 O=C(C=CI)CCF 1458a_100016256311_100011217306 [1,1,0,0,0,0|1,0,1]=4 2080 B7R0.7 O=C(C=CI)CCO 1458a_100016256311_100000211926 [1,1,0,0,0,0|1,0,1]=4 2081 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|1,0,1]=4 2082 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|1,0,1]=4 2083 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [1,1,0,0,0,0|2,0,0]=4 2084 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [1,1,0,0,0,0|2,0,0]=4 2085 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|0,0,2]=4 2086 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|1,0,1]=4 2087 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [1,1,0,0,0,0|2,0,0]=4 2088 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|0,0,1]=3 2089 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,1,0,0,0,0|1,0,1]=4 2090 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,1,0,0,0,0|1,0,1]=4 2091 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,1]=4 2092 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|0,0,1]=3 2093 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|0,0,1]=3 2094 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 2095 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 2096 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,0,1]=4 2097 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,1]=4 2098 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,1]=4 2099 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,1]=4 2100 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,1]=4 2101 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,1]=4 2102 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|0,0,1]=3 2103 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|1,0,1]=4 2104 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 2105 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 2106 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 2107 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 2108 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|1,0,1]=4 2109 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|0,0,2]=4 2110 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|1,0,0]=3 2111 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2112 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2113 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 2114 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|1,0,1]=4 2115 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|1,0,0]=3 2116 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2117 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 2118 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 2119 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 2120 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 2121 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 2122 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 2123 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 2124 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 2125 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 2126 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|2,0,0]=4 2127 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 2128 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 2129 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 2130 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|2,0,0]=4 2131 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|2,0,0]=4 2132 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|2,0,0]=4 2133 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|2,0,0]=4 2134 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2135 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [1,1,0,0,0,0|2,0,0]=4 2136 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [1,1,0,0,0,0|2,0,0]=4 2137 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [1,1,0,0,0,0|2,0,0]=4 2138 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [1,1,0,0,0,0|2,0,0]=4 2139 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [1,1,0,0,0,0|2,0,0]=4 2140 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [1,1,0,0,0,0|2,0,0]=4 2141 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [1,1,0,0,0,0|2,0,0]=4 2142 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|2,0,0]=4 2143 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 2145 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2146 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 2147 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 2148 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|2,0,0]=4 2149 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 2150 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|2,0,0]=4 2152 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|2,0,0]=4 2153 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|2,0,0]=4 2155 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|2,0,0]=4 2156 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|2,0,0]=4 2157 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 2158 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [1,1,0,0,0,0|2,0,0]=4 2159 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [1,1,0,0,0,0|2,0,0]=4 2160 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [1,1,0,0,0,0|1,0,1]=4 2161 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [1,1,0,0,0,0|1,0,1]=4 2162 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [1,1,0,0,0,0|1,0,1]=4 2163 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [1,1,0,0,0,0|1,0,1]=4 2164 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|1,0,1]=4 2165 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|1,0,1]=4 2166 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|0,0,2]=4 2167 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|0,0,2]=4 2168 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [1,1,0,0,0,0|1,0,1]=4 2169 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [1,1,0,0,0,0|1,0,1]=4 2170 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [1,1,0,0,0,0|1,0,1]=4 2172 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [1,1,0,0,0,0|0,0,2]=4 2173 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|1,0,1]=4 2174 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|1,0,1]=4 2175 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|1,0,1]=4 2176 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|0,0,2]=4 2177 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|0,0,2]=4 2178 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 2179 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 2180 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 2181 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,1,0,0,0,0|2,0,0]=4 2182 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [1,1,0,0,0,0|1,0,0]=3 2183 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [1,1,0,0,0,0|2,0,0]=4 2184 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [1,1,0,0,0,0|2,0,0]=4 2185 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [1,1,0,0,0,0|1,0,0]=3 2186 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|1,0,1]=4 2187 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 2188 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 2189 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 2190 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|2,0,0]=4 2191 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|0,0,2]=4 2192 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [1,1,0,0,0,0|1,0,1]=4 2193 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [1,1,0,0,0,0|1,0,1]=4 2194 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 2195 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 2196 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 2197 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [1,1,0,0,0,0|2,0,0]=4 2198 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,1,0,0,0,0|0,0,2]=4 2199 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,1,0,0,0,0|0,0,2]=4 2200 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|1,0,1]=4 2201 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|0,0,2]=4 2202 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 2203 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 2204 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 2205 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [1,1,0,0,0,0|2,0,0]=4 2206 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [1,1,0,0,0,0|2,0,0]=4 2207 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [1,1,0,0,0,0|1,0,0]=3 2208 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [1,1,0,0,0,0|2,0,0]=4 2209 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [1,1,0,0,0,0|2,0,0]=4 2210 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [1,1,0,0,0,0|2,0,0]=4 2211 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|0,0,2]=4 2212 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|0,0,2]=4 2213 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|0,0,2]=4 2214 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 2215 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 2216 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,1,0,0,0,0|1,0,1]=4 2218 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|0,0,2]=4 2219 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|0,0,2]=4 2220 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,1,0,0,0,0|2,0,0]=4 2221 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,1,0,0,0,0|1,0,1]=4 2222 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,1,0,0,0,0|1,0,1]=4 2223 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,1,0,0,0,0|1,0,1]=4 2224 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,1,0,0,0,0|1,0,1]=4 2225 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2226 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,1,0,0,0,0|1,0,1]=4 2227 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,1,0,0,0,0|1,0,1]=4 2228 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,1,0,0,0,0|1,0,1]=4 2229 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,1,0,0,0,0|1,0,1]=4 2230 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|0,0,2]=4 2231 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|0,0,2]=4 2232 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|0,0,2]=4 2233 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 2234 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 2235 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|1,0,1]=4 2236 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|1,0,1]=4 2237 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,1,0,0,0,0|1,0,1]=4 2238 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,1,0,0,0,0|1,0,1]=4 2239 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,1,0,0,0,0|1,0,1]=4 2240 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,1,0,0,0,0|1,0,0]=3 2241 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,1,0,0,0,0|1,0,0]=3 2242 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,1,0,0,0,0|2,0,0]=4 2243 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,1,0,0,0,0|2,0,0]=4 2244 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,1,0,0,0,0|2,0,0]=4 2245 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,1,0,0,0,0|2,0,0]=4 2246 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|0,0,2]=4 2247 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|0,0,2]=4 2248 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|0,0,1]=3 2249 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|0,0,1]=3 2250 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|0,0,1]=3 2251 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|0,0,1]=3 2252 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|0,0,1]=3 2253 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,0,1]=3 2254 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,0,1]=3 2255 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|1,0,1]=4 2256 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|1,0,1]=4 2257 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|1,0,1]=4 2258 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|1,0,1]=4 2259 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|1,0,1]=4 2260 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|1,0,1]=4 2261 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|1,0,1]=4 2262 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 2263 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 2264 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 2265 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,1,0,0,0,0|1,0,1]=4 2266 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 2267 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 2268 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|1,0,0]=3 2269 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|1,0,0]=3 2270 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|1,0,0]=3 2271 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|1,0,0]=3 2272 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|1,0,0]=3 2273 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|1,0,0]=3 2274 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|1,0,0]=3 2275 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|1,0,0]=3 2276 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|2,0,0]=4 2277 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|1,0,0]=3 2278 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|1,0,0]=3 2279 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,1,0,0,0,0|2,0,0]=4 2280 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,1,0,0,0,0|2,0,0]=4 2281 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|0,0,1]=3 2282 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|0,0,1]=3 2283 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|0,0,1]=3 2284 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,1,0,0,0,0|0,0,2]=4 2285 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|1,0,1]=4 2286 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,1,0,0,0,0|0,0,1]=3 2287 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,1,0,0,0,0|0,0,1]=3 2288 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|0,0,0]=2 2289 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|0,0,0]=2 2290 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|0,0,1]=3 2291 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|0,0,1]=3 2292 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|0,0,1]=3 2293 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|0,0,1]=3 2294 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|0,0,1]=3 2295 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|0,0,1]=3 2296 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|0,0,1]=3 2297 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,1]=4 2298 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|1,0,1]=4 2299 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,1,0,0,0,0|1,0,0]=3 2300 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|0,0,1]=3 2301 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|0,0,1]=3 2302 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,1]=4 2303 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|0,0,1]=3 2304 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|1,0,1]=4 2305 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|0,0,1]=3 2306 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,1]=4 2307 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,1]=4 2308 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|0,0,1]=3 2309 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|1,0,1]=4 2310 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|1,0,1]=4 2311 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,1,0,0,0,0|1,0,0]=3 2312 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,1,0,0,0,0|1,0,0]=3 2313 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,1]=4 2314 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|0,0,1]=3 2315 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|0,0,1]=3 2316 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,1,0,0,0,0|1,0,0]=3 2317 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,1,0,0,0,0|1,0,0]=3 2318 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|0,0,1]=3 2319 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|0,0,1]=3 2320 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|0,0,1]=3 2321 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|0,0,1]=3 2322 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,1]=4 2323 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,1]=4 2324 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,1]=4 2325 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|0,0,1]=3 2326 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,1,0,0,0,0|1,0,0]=3 2327 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,1,0,0,0,0|1,0,0]=3 2328 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,1,0,0,0,0|1,0,0]=3 2329 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|0,0,1]=3 2330 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|0,0,1]=3 2331 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|0,0,1]=3 2332 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|0,0,1]=3 2333 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,1]=4 2334 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,1]=4 2335 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|0,0,1]=3 2336 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,1,0,0,0,0|1,0,0]=3 2337 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,1,0,0,0,0|1,0,0]=3 2338 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,1,0,0,0,0|1,0,0]=3 2339 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,1,0,0,0,0|1,0,0]=3 2340 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,1,0,0,0,0|1,0,0]=3 2341 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [1,1,0,0,0,0|2,0,0]=4 2342 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [1,1,0,0,0,0|2,0,0]=4 2343 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [1,1,0,0,0,0|2,0,0]=4 2344 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|0,0,1]=3 2345 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|0,0,1]=3 2346 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,1]=4 2347 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,1]=4 2348 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,1]=4 2349 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,1,0,0,0,0|1,0,1]=4 2350 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|1,0,0]=3 2351 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 2352 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|1,0,0]=3 2353 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2354 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 2355 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 2356 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|1,0,0]=3 2357 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|1,0,0]=3 2358 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 2359 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 2360 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|0,0,1]=3 2361 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|0,0,1]=3 2362 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,1,0,0,0,0|1,0,0]=3 2363 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [1,1,0,0,0,0|2,0,0]=4 2364 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|0,0,1]=3 2365 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|0,0,1]=3 2366 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|0,0,1]=3 2367 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|0,0,1]=3 2368 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|0,0,1]=3 2369 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,1]=4 2370 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|0,0,1]=3 2371 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 2372 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|1,0,0]=3 2373 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|1,0,0]=3 2374 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|1,0,0]=3 2375 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 2376 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|1,0,0]=3 2377 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 2378 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2379 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,1,0,0,0,0|1,0,1]=4 2380 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,1,0,0,0,0|1,0,0]=3 2381 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,1,0,0,0,0|1,0,0]=3 2382 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,1,0,0,0,0|2,0,0]=4 2383 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,1,0,0,0,0|2,0,0]=4 2384 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,0,1]=3 2385 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,0,1]=3 2386 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,0,1]=3 2387 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,1]=4 2388 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,1]=4 2389 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,0,1]=3 2390 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 2391 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 2392 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|1,0,0]=3 2393 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|1,0,0]=3 2394 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|1,0,0]=3 2395 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|1,0,0]=3 2396 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 2397 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 2398 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|1,0,0]=3 2399 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|1,0,0]=3 2400 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 2401 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 2402 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|1,0,1]=4 2403 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|0,0,2]=4 2404 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|0,0,1]=3 2405 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|1,0,1]=4 2406 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,1]=4 2407 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 2408 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 2409 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2410 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,1,0,0,0,0|2,0,0]=4 2411 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,1,0,0,0,0|2,0,0]=4 2412 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,1]=4 2413 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,1]=4 2414 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 2415 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 2416 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 2417 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 2418 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|0,0,2]=4 2419 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|0,0,2]=4 2420 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|0,0,2]=4 2421 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 2422 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 2423 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,1,0,0,0,0|1,0,1]=4 2424 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,1,0,0,0,0|1,0,1]=4 2425 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|1,0,1]=4 2426 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [1,1,0,0,0,0|2,0,0]=4 2427 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [1,1,0,0,0,0|2,0,0]=4 2428 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|0,0,1]=3 2429 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|1,0,1]=4 2430 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|1,0,1]=4 2431 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,0,1]=3 2432 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,0,1]=3 2433 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|0,0,1]=3 2434 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|1,0,1]=4 2435 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|1,0,1]=4 2436 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,1,0,0,0,0|1,0,1]=4 2437 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|1,0,1]=4 2438 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|1,0,1]=4 2439 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|1,0,1]=4 2440 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,1,0,0,0,0|1,0,1]=4 2441 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|1,0,1]=4 2442 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,1,0,0,0,0|1,0,1]=4 2443 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 2444 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 2445 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 2446 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|1,0,0]=3 2447 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 2448 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|1,0,0]=3 2449 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|1,0,0]=3 2450 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 2451 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 2452 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [1,1,0,0,0,0|2,0,0]=4 2453 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [1,1,0,0,0,0|2,0,0]=4 2454 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,1,0,0,0,0|2,0,0]=4 2455 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|1,0,1]=4 2456 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|2,0,0]=4 2457 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,1,0,0,0,0|1,0,1]=4 2458 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|0,0,1]=3 2459 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,0,1]=3 2460 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|1,0,1]=4 2461 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|1,0,1]=4 2462 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|1,0,1]=4 2463 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [1,1,0,0,0,0|2,0,0]=4 2464 B9R0.4 C#CCCC(=O)C=C(C)C 1458a_100000211388_100000753159 [0,1,0,0,0,1|1,0,1]=4 2465 B9R0.4 C#CCCC(=O)C=C(C)Cl 1458a_200042562850_100000753159 [0,1,0,0,0,1|1,0,1]=4 2466 B9R0.4 C#CCCC(=O)C=C(C)I 1458a_100025716642_100000753159 [0,1,0,0,0,1|1,0,1]=4 2467 B9R0.4 C#CCCC(=O)CC(=C)C 1458a_100000692101_100000748629 [0,1,0,0,0,1|1,0,1]=4 2468 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100000692101_100000187820 [0,1,0,0,0,1|1,0,1]=4 2469 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100134613110_100000753159 [0,1,0,0,0,1|1,0,1]=4 2470 B9R0.4 C#CCCC(=O)CC(=O)[O-] 1458a_100000692101_100020667443 [0,1,0,0,0,1|1,0,1]=4 2471 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,1,0,0,0,1|1,0,1]=4 2472 B9R0.4 C/C=C/CC(=O)C=C(C)Cl 1458a_200042562850_100102629194 [0,1,0,0,0,1|1,0,1]=4 2473 B9R0.4 C/C=C/CC(=O)C=C(C)I 1458a_100025716642_100102629194 [0,1,0,0,0,1|1,0,1]=4 2474 B9R0.4 C/C=C/CC(=O)CC(=O)N 1458a_100134613110_100102629194 [0,1,0,0,0,1|1,0,1]=4 2475 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,1,0,0,0,1|1,0,1]=4 2476 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,1,0,0,0,1|1,0,1]=4 2477 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [0,1,0,0,0,1|1,0,1]=4 2478 B9R0.4 C=C(C)CC(=O)CCC#N 1458a_100011934036_100000748629 [0,1,0,0,0,1|1,0,1]=4 2479 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,1|1,0,0]=3 2480 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,1,0,0,0,1|1,0,0]=3 2481 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,1,0,0,0,1|1,0,0]=3 2482 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,1,0,0,0,1|1,0,0]=3 2483 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,1,0,0,0,1|1,0,0]=3 2484 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,1,0,0,0,1|2,0,0]=4 2485 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,0,0,0,1|1,0,1]=4 2486 B9R0.4 C=C(F)CC(=O)CCOC 1458a_100000749529_100009893438 [0,1,0,0,0,1|1,0,1]=4 2487 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,1,0,0,0,1|1,0,1]=4 2488 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,1,0,0,0,1|1,0,1]=4 2489 B9R0.4 C=C(F)CC(=O)CSCC 1458a_100000230394_100009893438 [0,1,0,0,0,1|1,0,1]=4 2490 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,1,0,0,0,1|1,0,1]=4 2491 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,1,0,0,0,1|1,0,1]=4 2492 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,1,0,0,0,1|1,0,1]=4 2493 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,1,0,0,0,1|1,0,1]=4 2494 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,1,0,0,0,1|1,0,1]=4 2495 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,1,0,0,0,1|1,0,1]=4 2496 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,1,0,0,0,1|1,0,1]=4 2497 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,1,0,0,0,1|0,0,2]=4 2498 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,1|0,0,2]=4 2499 B9R0.4 CC#CCC(=O)C=C(C)C 1458a_100000211388_100000748600 [0,1,0,0,0,1|1,0,1]=4 2500 B9R0.4 CC#CCC(=O)C=C(C)Cl 1458a_200042562850_100000748600 [0,1,0,0,0,1|1,0,1]=4 2501 B9R0.4 CC#CCC(=O)C=C(C)I 1458a_100025716642_100000748600 [0,1,0,0,0,1|1,0,1]=4 2502 B9R0.4 CC#CCC(=O)CC(=O)N 1458a_100134613110_100000748600 [0,1,0,0,0,1|1,0,1]=4 2503 B9R0.4 CC(=CC(=O)CCC#N)C 1458a_100000211388_100011215226 [0,1,0,0,0,1|1,0,1]=4 2504 B9R0.4 CC(=CC(=O)CCC#N)Cl 1458a_200042562850_100011215226 [0,1,0,0,0,1|1,0,1]=4 2505 B9R0.4 CC(=CC(=O)CCC#N)I 1458a_100025716642_100011215226 [0,1,0,0,0,1|1,0,1]=4 2506 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,1,0,0,0,1|1,0,0]=3 2507 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,1,0,0,0,1|1,0,0]=3 2508 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,1,0,0,0,1|1,0,0]=3 2509 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,1,0,0,0,1|1,0,0]=3 2510 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,1,0,0,0,1|1,0,0]=3 2511 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,1,0,0,0,1|1,0,0]=3 2512 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,1,0,0,0,1|2,0,0]=4 2513 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,1,0,0,0,1|2,0,0]=4 2514 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,1,0,0,0,1|2,0,0]=4 2515 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,1,0,0,0,1|2,0,0]=4 2516 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,1,0,0,0,1|2,0,0]=4 2517 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,1,0,0,0,1|2,0,0]=4 2518 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,1,0,0,0,1|2,0,0]=4 2519 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,1,0,0,0,1|2,0,0]=4 2520 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,1,0,0,0,1|2,0,0]=4 2521 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,1,0,0,0,1|2,0,0]=4 2522 B9R0.4 CC(=O)CC(=O)NCC#N 1458a_100000070787_100000736037 [0,1,0,0,0,1|1,0,1]=4 2523 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,1,0,0,0,1|1,0,0]=3 2524 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,1,0,0,0,1|1,0,1]=4 2525 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,1,0,0,0,1|1,0,1]=4 2526 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,1,0,0,0,1|1,0,1]=4 2527 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,1,0,0,0,1|1,0,1]=4 2528 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,1,0,0,0,1|1,0,1]=4 2529 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,1,0,0,0,1|1,0,1]=4 2530 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,1,0,0,0,1|1,0,1]=4 2531 B9R0.4 CC=CCC(=O)C=C(C)Cl 1458a_200042562850_100000070051 [0,1,0,0,0,1|1,0,1]=4 2532 B9R0.4 CC=CCC(=O)C=C(C)I 1458a_100025716642_100000070051 [0,1,0,0,0,1|1,0,1]=4 2533 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100121576822_100000187820 [0,1,0,0,0,1|1,0,1]=4 2534 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100134613110_100000070051 [0,1,0,0,0,1|1,0,1]=4 2535 B9R0.4 CC=CCC(=O)CC(=O)[O-] 1458a_100121576822_100020667443 [0,1,0,0,0,1|1,0,1]=4 2536 B9R0.4 CCC#CC(=O)CC(=O)N 1458a_100011827653_100000187820 [0,1,0,0,0,1|1,0,1]=4 2537 B9R0.4 CCC#CC(=O)CC(=O)[O-] 1458a_100011827653_100020667443 [0,1,0,0,0,1|1,0,1]=4 2538 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [0,1,0,0,0,1|1,0,1]=4 2539 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [0,1,0,0,0,1|1,0,1]=4 2540 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,1,0,0,0,1|1,0,0]=3 2541 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,1,0,0,0,1|1,0,0]=3 2542 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,1,0,0,0,1|1,0,0]=3 2543 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,1,0,0,0,1|2,0,0]=4 2544 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,1|1,0,0]=3 2545 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,1|1,0,0]=3 2546 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,1|1,0,0]=3 2547 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,0,0,0,1|1,0,1]=4 2548 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,0,0,0,1|1,0,1]=4 2549 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,1|0,0,2]=4 2550 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,1,0,0,0,1|2,0,0]=4 2551 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,1|0,0,2]=4 2552 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,0,0,0,1|2,0,0]=4 2553 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,1,0,0,0,1|2,0,0]=4 2554 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,1,0,0,0,1|1,0,1]=4 2555 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,1,0,0,0,1|1,0,1]=4 2556 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,1,0,0,0,1|1,0,1]=4 2557 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,1,0,0,0,1|1,0,1]=4 2558 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,1|1,0,1]=4 2559 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,1|1,0,1]=4 2560 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,1|1,0,1]=4 2561 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,1|1,0,1]=4 2562 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,1,0,0,0,1|1,0,0]=3 2563 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,1,0,0,0,1|1,0,0]=3 2564 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,1,0,0,0,1|1,0,0]=3 2565 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,1,0,0,0,1|1,0,0]=3 2566 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,1,0,0,0,1|1,0,0]=3 2567 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,1,0,0,0,1|1,0,0]=3 2568 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,1,0,0,0,1|1,0,0]=3 2569 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,1,0,0,0,1|1,0,0]=3 2570 B9R0.4 CCCNC(=O)C=C(Cl)Cl 1626a_100020643023_100000137448 [0,1,0,0,0,1|2,0,0]=4 2571 B9R0.4 CCCNC(=O)C=C(Cl)Cl 240690a_100020643023_100000137448 [0,1,0,0,0,1|2,0,0]=4 2572 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,1|0,0,0]=2 2573 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,1|1,0,0]=3 2574 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,1|1,0,0]=3 2575 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,1,0,0,0,1|1,0,1]=4 2576 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,1,0,0,0,1|1,0,1]=4 2577 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,1,0,0,0,1|1,0,1]=4 2578 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,1,0,0,0,1|1,0,1]=4 2579 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,1,0,0,0,1|2,0,0]=4 2580 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,1,0,0,0,1|2,0,0]=4 2581 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,1,0,0,0,1|2,0,0]=4 2582 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,1,0,0,0,1|2,0,0]=4 2583 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,1,0,0,0,1|2,0,0]=4 2584 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,1,0,0,0,1|2,0,0]=4 2585 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,1,0,0,0,1|2,0,0]=4 2586 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,1,0,0,0,1|2,0,0]=4 2587 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,1,0,0,0,1|2,0,0]=4 2588 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,1,0,0,0,1|0,0,2]=4 2589 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,1,0,0,0,1|2,0,0]=4 2590 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,1,0,0,0,1|2,0,0]=4 2591 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,1,0,0,0,1|2,0,0]=4 2592 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,1,0,0,0,1|2,0,0]=4 2593 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,1,0,0,0,1|1,0,1]=4 2594 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,1,0,0,0,1|1,0,1]=4 2595 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,1,0,0,0,1|1,0,1]=4 2596 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,1,0,0,0,1|1,0,1]=4 2597 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,1,0,0,0,1|1,0,1]=4 2598 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,1|0,0,0]=2 2599 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,1,0,0,0,1|2,0,0]=4 2600 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,1,0,0,0,1|2,0,0]=4 2601 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,1|1,0,1]=4 2602 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,1|1,0,1]=4 2603 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,1,0,0,0,1|1,0,0]=3 2604 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,1,0,0,0,1|1,0,1]=4 2605 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,1,0,0,0,1|1,0,1]=4 2606 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,1,0,0,0,1|1,0,1]=4 2607 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,1,0,0,0,1|2,0,0]=4 2608 B9R0.4 CCNNC(=O)C=C(C)Cl 22a_100000756455_200042562850 [0,1,0,0,0,1|2,0,0]=4 2609 B9R0.4 CCNNC(=O)CC(=O)N 22a_100000756455_100134613110 [0,1,0,0,0,1|2,0,0]=4 2610 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,1|1,0,0]=3 2611 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,1|1,0,0]=3 2612 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,1,0,0,0,1|1,0,1]=4 2613 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,1,0,0,0,1|0,0,2]=4 2614 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,1,0,0,0,1|2,0,0]=4 2615 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 2616 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 2617 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 2618 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,1,0,0,0,1|1,0,1]=4 2619 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,1,0,0,0,1|1,0,1]=4 2620 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,1,0,0,0,1|1,0,1]=4 2621 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,0,0,0,1|1,0,0]=3 2622 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,0,0,0,1|1,0,0]=3 2623 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,1,0,0,0,1|1,0,1]=4 2624 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,1,0,0,0,1|0,0,2]=4 2625 B9R0.4 CCSCC(=O)C[N+](=O)[O-] 1458a_100000230394_100000761209 [0,1,0,0,0,1|2,0,0]=4 2626 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,1,0,0,0,1|0,0,0]=2 2627 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,1,0,0,0,1|1,0,0]=3 2628 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,1,0,0,0,1|1,0,1]=4 2629 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,1,0,0,0,1|1,0,1]=4 2630 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,1,0,0,0,1|1,0,1]=4 2631 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,1,0,0,0,1|1,0,1]=4 2632 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,1,0,0,0,1|1,0,1]=4 2633 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,1,0,0,0,1|1,0,1]=4 2634 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,1,0,0,0,1|1,0,1]=4 2635 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,1,0,0,0,1|1,0,1]=4 2636 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,1,0,0,0,1|2,0,0]=4 2637 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,1,0,0,0,1|2,0,0]=4 2638 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,1,0,0,0,1|1,0,0]=3 2639 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,1,0,0,0,1|1,0,0]=3 2640 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,1,0,0,0,1|1,0,1]=4 2641 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,1,0,0,0,1|1,0,1]=4 2642 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,1,0,0,0,1|1,0,1]=4 2643 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,1,0,0,0,1|1,0,1]=4 2644 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,1,0,0,0,1|1,0,0]=3 2645 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,1,0,0,0,1|1,0,0]=3 2646 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,1,0,0,0,1|1,0,0]=3 2647 B9R0.4 COCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000233755 [0,1,0,0,0,1|2,0,0]=4 2648 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,0,0,0,1|1,0,0]=3 2649 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,0,0,0,1|1,0,0]=3 2650 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,0,0,0,1|1,0,0]=3 2651 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,1,0,0,0,1|1,0,1]=4 2652 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,1,0,0,0,1|1,0,1]=4 2653 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,1,0,0,0,1|0,0,2]=4 2654 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,1,0,0,0,1|2,0,0]=4 2655 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,1,0,0,0,1|0,0,2]=4 2656 B9R0.4 COCCC(=O)C[N+](=O)[O-] 1458a_100000749529_100000761209 [0,1,0,0,0,1|2,0,0]=4 2657 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,1,0,0,0,1|2,0,0]=4 2658 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,1,0,0,0,1|1,0,1]=4 2659 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,1,0,0,0,1|1,0,1]=4 2660 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,1,0,0,0,1|1,0,1]=4 2661 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,1,0,0,0,1|1,0,1]=4 2662 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,1,0,0,0,1|1,0,0]=3 2663 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,1,0,0,0,1|1,0,0]=3 2664 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,1,0,0,0,1|1,0,0]=3 2665 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,1,0,0,0,1|2,0,0]=4 2666 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,1|1,0,0]=3 2667 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,1|1,0,0]=3 2668 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,1|1,0,0]=3 2669 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,1,0,0,0,1|1,0,1]=4 2670 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,1,0,0,0,1|1,0,1]=4 2671 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,1,0,0,0,1|0,0,2]=4 2672 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,1,0,0,0,1|2,0,0]=4 2673 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,1,0,0,0,1|0,0,2]=4 2674 B9R0.4 CSCCC(=O)C[N+](=O)[O-] 1458a_100000174002_100000761209 [0,1,0,0,0,1|2,0,0]=4 2675 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,1,0,0,0,1|2,0,0]=4 2676 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,1,0,0,0,1|1,0,0]=3 2677 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,1,0,0,0,1|1,0,1]=4 2678 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,1,0,0,0,1|1,0,1]=4 2679 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,1,0,0,0,1|1,0,1]=4 2680 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,1,0,0,0,1|1,0,1]=4 2681 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,1,0,0,0,1|1,0,1]=4 2682 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,1,0,0,0,1|1,0,1]=4 2683 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,1,0,0,0,1|1,0,1]=4 2684 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,1,0,0,0,1|1,0,1]=4 2685 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,1,0,0,0,1|0,0,2]=4 2686 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,1,0,0,0,1|0,0,2]=4 2687 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,1,0,0,0,1|2,0,0]=4 2688 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,1,0,0,0,1|2,0,0]=4 2689 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100011934036_100000187820 [0,1,0,0,0,1|1,0,1]=4 2690 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100134613110_100011215226 [0,1,0,0,0,1|1,0,1]=4 2691 B9R0.4 N#CCCC(=O)CC(=O)[O-] 1458a_100011934036_100020667443 [0,1,0,0,0,1|1,0,1]=4 2692 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,1|1,0,0]=3 2693 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,1|1,0,0]=3 2694 B9R0.4 NC(=O)CC(=O)NCCF 240690a_100000724931_100134613110 [0,1,0,0,0,1|2,0,0]=4 2695 B9R0.4 NC(=O)CC(=O)NCCF 527a_100000724931_100134613110 [0,1,0,0,0,1|2,0,0]=4 2696 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,1,0,0,0,1|2,0,0]=4 2697 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,1,0,0,0,1|2,0,0]=4 2698 B9R0.4 NC(=O)NC(=O)CSCF 62a_100015361967_100000182717 [0,1,0,0,0,1|2,0,0]=4 2699 B9R0.4 O=C(C=C(Cl)Cl)CCCF 1458a_100000137448_100011934791 [0,1,0,0,0,1|2,0,0]=4 2700 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,1,0,0,0,1|2,0,0]=4 2701 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,1,0,0,0,1|1,0,0]=3 2702 B9R0.6 C#CCC(=O)C(C)C(=O)C 1458a_100011220946_100000179758 [0,1,0,0,0,1|0,0,2]=4 2703 B9R0.6 C=CCC(=O)C(C)C(=O)C 1458a_100000210193_100000179758 [0,1,0,0,0,1|0,0,2]=4 2704 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,1,0,0,0,1|0,0,2]=4 2705 B9R0.6 CC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000179758 [0,1,0,0,0,1|1,0,1]=4 2706 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,1,0,0,0,1|1,0,0]=3 2707 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,1,0,0,0,1|2,0,0]=4 2708 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,1,0,0,0,1|0,0,2]=4 2709 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,1,0,0,0,1|2,0,0]=4 2710 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,1|0,0,0]=2 2711 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,0,0,0,1|1,0,0]=3 2712 B9R0.6 CCCC(=O)C(C)C(C)C 1458a_100000755409_100000210303 [0,1,0,0,0,1|1,0,1]=4 2713 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,1,0,0,0,1|1,0,0]=3 2714 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,1,0,0,0,1|1,0,0]=3 2715 B9R0.6 CCCC(=O)N(C)C(C)C 11a_200000211004_100000211992 [0,1,0,0,0,1|1,0,1]=4 2716 B9R0.6 CCCC(=O)N(C)C(C)C 1626a_200000211004_100000211992 [0,1,0,0,0,1|1,0,1]=4 2717 B9R0.6 CCCC(=O)N(C)C(C)C 240690a_200000211004_100000211992 [0,1,0,0,0,1|1,0,1]=4 2718 B9R0.6 CCCC(=O)N(C)C(C)C 527a_200000211004_100000211992 [0,1,0,0,0,1|1,0,1]=4 2719 B9R0.6 CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210303 [0,1,0,0,0,1|2,0,0]=4 2720 B9R0.6 CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210303 [0,1,0,0,0,1|1,0,1]=4 2721 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,1|2,0,0]=4 2722 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,1|2,0,0]=4 2723 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,1,0,0,0,1|1,0,0]=3 2724 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,1,0,0,0,1|1,0,0]=3 2725 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,1,0,0,0,1|1,0,0]=3 2726 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,1,0,0,0,1|1,0,0]=3 2727 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,1,0,0,0,1|1,0,0]=3 2728 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,1,0,0,0,1|1,0,0]=3 2729 B9R0.6 COCC(=O)C(C)C(=O)N 1458a_100000210968_100000702099 [0,1,0,0,0,1|2,0,0]=4 2730 B9R0.6 COCC(=O)C(F)C(=O)N 1458a_100000210968_100009813875 [0,1,0,0,0,1|2,0,0]=4 2731 B9R0.6 COCC(=O)C(F)C(=O)[O-] 1458a_100000210968_100020610796 [0,1,0,0,0,1|2,0,0]=4 2732 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,1,0,0,0,1|1,0,0]=3 2733 B9R0.6 CSCC(=O)C(C)C(=O)N 1458a_100000184570_100000702099 [0,1,0,0,0,1|2,0,0]=4 2734 B9R0.6 CSCC(=O)C(F)C(=O)N 1458a_100000184570_100009813875 [0,1,0,0,0,1|2,0,0]=4 2735 B9R0.6 CSCC(=O)C(F)C(=O)[O-] 1458a_100000184570_100020610796 [0,1,0,0,0,1|2,0,0]=4 2736 B9R0.6 NC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813875 [0,1,0,0,0,1|2,0,0]=4 2737 B9R0.6 O=C([O-])C(F)C(=O)CCO 1458a_100011216618_100020610796 [0,1,0,0,0,1|2,0,0]=4 2738 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,1,0,0,0,1|1,0,1]=4 2739 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,1,0,0,0,1|1,0,1]=4 2740 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,1,0,0,0,1|1,0,1]=4 2741 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,1,0,0,0,1|1,0,1]=4 2742 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,1,0,0,0,1|0,0,2]=4 2743 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,1,0,0,0,1|0,0,2]=4 2744 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,1|1,0,0]=3 2745 B9R0.23 C=C(C)CC(=O)C(C)OC 1458a_100000743197_100000748629 [0,1,0,0,0,1|2,0,0]=4 2746 B9R0.23 C=C(C)CC(=O)C(C)SC 1458a_100000149566_100000748629 [0,1,0,0,0,1|2,0,0]=4 2747 B9R0.23 C=C(C)CC(=O)C(O)CC 1458a_100011196387_100000748629 [0,1,0,0,0,1|1,0,0]=3 2748 B9R0.23 C=C(C)CC(=O)C(O)CO 1458a_100011215603_100000748629 [0,1,0,0,0,1|2,0,0]=4 2749 B9R0.23 C=C(F)CC(=O)C(C)CC 1458a_100011192722_100009893438 [0,1,0,0,0,1|1,0,1]=4 2750 B9R0.23 C=C(F)CC(=O)C(O)CC 1458a_100011196387_100009893438 [0,1,0,0,0,1|1,0,1]=4 2751 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_100000183865_200025704644 [0,1,0,0,0,1|2,0,0]=4 2752 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_200025704644_100000183865 [0,1,0,0,0,1|2,0,0]=4 2753 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,0,0,0,1|1,0,0]=3 2754 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,1,0,0,0,1|1,0,0]=3 2755 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,1,0,0,0,1|1,0,0]=3 2756 B9R0.23 CCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000758301 [0,1,0,0,0,1|2,0,0]=4 2757 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,1|1,0,0]=3 2758 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,1|1,0,0]=3 2759 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,1|1,0,0]=3 2760 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100000210554_100000758301 [0,1,0,0,0,1|1,0,1]=4 2761 B9R0.23 CCC(C)C(=O)CC(C)C 1458a_100011192722_100000210624 [0,1,0,0,0,1|1,0,1]=4 2762 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,1|0,0,2]=4 2763 B9R0.23 CCC(C)C(=O)CN(C)C 1458a_100000750896_100000758301 [0,1,0,0,0,1|2,0,0]=4 2764 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,1|0,0,2]=4 2765 B9R0.23 CCC(C)C(=O)C[N+](=O)[O-] 1458a_100011192722_100000761209 [0,1,0,0,0,1|2,0,0]=4 2766 B9R0.23 CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000758301 [0,1,0,0,0,1|2,0,0]=4 2767 B9R0.23 CCC(C)C(=O)NC(C)C 11a_100138425928_100011192722 [0,1,0,0,0,1|1,0,1]=4 2768 B9R0.23 CCC(C)C(=O)NC(C)C 1626a_100138425928_100011192722 [0,1,0,0,0,1|1,0,1]=4 2769 B9R0.23 CCC(C)C(=O)NC(C)C 240690a_100138425928_100011192722 [0,1,0,0,0,1|1,0,1]=4 2770 B9R0.23 CCC(C)C(=O)NC(C)C 527a_100138425928_100011192722 [0,1,0,0,0,1|1,0,1]=4 2771 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,1,0,0,0,1|1,0,0]=3 2772 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,1,0,0,0,1|1,0,0]=3 2773 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,1|1,0,1]=4 2774 B9R0.23 CCC(O)C(=O)CC(C)O 1458a_100011196387_100011218427 [0,1,0,0,0,1|0,0,2]=4 2775 B9R0.23 CCC(O)C(=O)C[N+](=O)[O-] 1458a_100011196387_100000761209 [0,1,0,0,0,1|2,0,0]=4 2776 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,1,0,0,0,1|1,0,1]=4 2777 B9R0.23 CCN(C)C(=O)C=C(C)C 11a_100000225621_100000211388 [0,1,0,0,0,1|2,0,0]=4 2778 B9R0.23 CCN(C)C(=O)C=C(C)C 1626a_100000225621_100000211388 [0,1,0,0,0,1|2,0,0]=4 2779 B9R0.23 CCN(C)C(=O)C=C(C)C 240690a_100000225621_100000211388 [0,1,0,0,0,1|2,0,0]=4 2780 B9R0.23 CCN(C)C(=O)C=C(C)Cl 11a_100000225621_200042562850 [0,1,0,0,0,1|2,0,0]=4 2781 B9R0.23 CCN(C)C(=O)C=C(C)Cl 1626a_100000225621_200042562850 [0,1,0,0,0,1|2,0,0]=4 2782 B9R0.23 CCN(C)C(=O)C=C(C)Cl 240690a_100000225621_200042562850 [0,1,0,0,0,1|2,0,0]=4 2783 B9R0.23 CCN(C)C(=O)C=C(C)I 11a_100000225621_100025716642 [0,1,0,0,0,1|2,0,0]=4 2784 B9R0.23 CCN(C)C(=O)C=C(C)I 1626a_100000225621_100025716642 [0,1,0,0,0,1|2,0,0]=4 2785 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,1|1,0,0]=3 2786 B9R0.23 CCN(C)C(=O)CC(=O)N 240690a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 2787 B9R0.23 CCN(C)C(=O)CC(=O)N 527a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 2788 B9R0.23 CNC(C)C(=O)NC(=O)N 2230a_106832991635_100000183865 [0,1,0,0,0,1|2,0,0]=4 2789 B9R0.23 CNC(C)C(=O)NC(=O)N 7a_106832991635_100000183865 [0,1,0,0,0,1|2,0,0]=4 2790 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,1,0,0,0,1|2,0,0]=4 2791 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,1,0,0,0,1|2,0,0]=4 2792 B9R0.23 CON(C)C(=O)CC(=O)C 1458a_100000070787_100000764215 [0,1,0,0,0,1|2,0,0]=4 2793 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,1,0,0,0,1|2,0,0]=4 2794 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,1,0,0,0,1|2,0,0]=4 2795 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_100000183865_200000210301 [0,1,0,0,0,1|2,0,0]=4 2796 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_200000210301_100000183865 [0,1,0,0,0,1|2,0,0]=4 2797 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [0,1,0,0,0,1|2,0,0]=4 2798 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [0,1,0,0,0,1|2,0,0]=4 2799 B9R0.34 C#CC(=O)CC(=O)CCC 1458a_100000211873_100000747444 [0,1,0,0,0,1|0,0,1]=3 2800 B9R0.34 C#CC(=O)CC(=O)NCC 1458a_100000211873_100000183381 [0,1,0,0,0,1|1,0,1]=4 2801 B9R0.34 C#CC(=O)CC(=O)OCC 1458a_100000211873_100000188475 [0,1,0,0,0,1|1,0,1]=4 2802 B9R0.34 C#CC(C)NC(=O)CCC 11a_100000707721_100000211992 [0,1,0,0,0,1|1,0,1]=4 2803 B9R0.34 C#CC(C)NC(=O)CCC 1626a_100000707721_100000211992 [0,1,0,0,0,1|1,0,1]=4 2804 B9R0.34 C#CC(C)NC(=O)CCC 240690a_100000707721_100000211992 [0,1,0,0,0,1|1,0,1]=4 2805 B9R0.34 C#CC(C)NC(=O)CCC 527a_100000707721_100000211992 [0,1,0,0,0,1|1,0,1]=4 2806 B9R0.34 C#CCC(=O)CC(=O)CC 1458a_100011220946_100000747405 [0,1,0,0,0,1|0,0,2]=4 2807 B9R0.34 C#CCC(=O)CC(=O)NC 1458a_100011220946_100000183359 [0,1,0,0,0,1|0,0,2]=4 2808 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100000211351_100000184674 [0,1,0,0,0,1|0,0,2]=4 2809 B9R0.34 C#CCC(=O)CC(=O)OC 1458a_100011220946_100000747449 [0,1,0,0,0,1|0,0,2]=4 2810 B9R0.34 C=C(C#N)CC(=O)CCC 1458a_100000211992_100000694840 [0,1,0,0,0,1|1,0,1]=4 2811 B9R0.34 C=C(CCC)CC(=O)CC 1458a_100000138376_100000210202 [0,1,0,0,0,1|1,0,0]=3 2812 B9R0.34 C=C(CCC)CC(=O)CF 1458a_100000138376_100015361967 [0,1,0,0,0,1|1,0,0]=3 2813 B9R0.34 C=C(CCC)CC(=O)NC 11a_106832991635_100000138376 [0,1,0,0,0,1|1,0,0]=3 2814 B9R0.34 C=C(CCC)CC(=O)NC 240690a_100102657272_100000138376 [0,1,0,0,0,1|1,0,0]=3 2815 B9R0.34 C=C(CCC)CC(=O)NC 527a_100102657272_100000138376 [0,1,0,0,0,1|1,0,0]=3 2816 B9R0.34 C=CC(=O)CC(=O)CCC 1458a_100000185746_100000747444 [0,1,0,0,0,1|0,0,1]=3 2817 B9R0.34 C=CC(=O)CC(=O)NCC 1458a_100000185746_100000183381 [0,1,0,0,0,1|1,0,1]=4 2818 B9R0.34 C=CC(=O)CC(=O)OCC 1458a_100000185746_100000188475 [0,1,0,0,0,1|1,0,1]=4 2819 B9R0.34 C=CC(C)CC(=O)CCC 1458a_100011934298_100000210303 [0,1,0,0,0,1|1,0,1]=4 2820 B9R0.34 C=CCC(=O)CC(=O)CC 1458a_100000210193_100000747405 [0,1,0,0,0,1|0,0,2]=4 2821 B9R0.34 C=CCC(=O)CC(=O)NC 1458a_100000210193_100000183359 [0,1,0,0,0,1|0,0,2]=4 2822 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000210193_100000747449 [0,1,0,0,0,1|0,0,2]=4 2823 B9R0.34 C=CCC(=O)CC(=O)OC 1458a_100000211351_100000210623 [0,1,0,0,0,1|0,0,2]=4 2824 B9R0.34 CC#CC(=O)CC(=O)CC 1458a_100000763181_100000747405 [0,1,0,0,0,1|0,0,2]=4 2825 B9R0.34 CC#CC(=O)CC(=O)NC 1458a_100000763181_100000183359 [0,1,0,0,0,1|0,0,2]=4 2826 B9R0.34 CC#CC(=O)CC(=O)OC 1458a_100000763181_100000747449 [0,1,0,0,0,1|0,0,2]=4 2827 B9R0.34 CC=CC(=O)CC(=O)CC 1458a_100000210699_100000747405 [0,1,0,0,0,1|0,0,2]=4 2828 B9R0.34 CC=CC(=O)CC(=O)NC 1458a_100000210699_100000183359 [0,1,0,0,0,1|0,0,2]=4 2829 B9R0.34 CC=CC(=O)CC(=O)OC 1458a_100000210699_100000747449 [0,1,0,0,0,1|0,0,2]=4 2830 B9R0.34 CCC(=CC(=O)CCF)C 1458a_100020758463_100011217306 [0,1,0,0,0,1|2,0,0]=4 2831 B9R0.34 CCC(=CC(=O)CCO)C 1458a_100020758463_100000211926 [0,1,0,0,0,1|2,0,0]=4 2832 B9R0.34 CCC(=O)CC(=O)CC#N 1458a_100051588842_100000747405 [0,1,0,0,0,1|1,0,1]=4 2833 B9R0.34 CCC(=O)CC(=O)CCO 1458a_100011216618_100000747405 [0,1,0,0,0,1|1,0,0]=3 2834 B9R0.34 CCC(=O)CC(=O)COC 1458a_100000210968_100000747405 [0,1,0,0,0,1|1,0,0]=3 2835 B9R0.34 CCC(=O)CC(=O)CSC 1458a_100000184570_100000747405 [0,1,0,0,0,1|1,0,0]=3 2836 B9R0.34 CCC(=O)CC(=O)NCO 1458a_100000210414_100000185155 [0,1,0,0,0,1|2,0,0]=4 2837 B9R0.34 CCCC(=CC(=O)CC)C 1458a_100020676950_100000210202 [0,1,0,0,0,1|1,0,0]=3 2838 B9R0.34 CCCC(=CC(=O)CF)C 1458a_100020676950_100015361967 [0,1,0,0,0,1|1,0,0]=3 2839 B9R0.34 CCCC(=CC(=O)NC)C 11a_106832991635_100020676950 [0,1,0,0,0,1|1,0,0]=3 2840 B9R0.34 CCCC(=CC(=O)NC)C 1626a_100102657272_100020676950 [0,1,0,0,0,1|1,0,0]=3 2841 B9R0.34 CCCC(=CC(=O)NC)C 240690a_100102657272_100020676950 [0,1,0,0,0,1|1,0,0]=3 2842 B9R0.34 CCCC(=O)C=C(C)CC 1458a_100020758463_100000210303 [0,1,0,0,0,1|1,0,0]=3 2843 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [0,1,0,0,0,1|0,0,0]=2 2844 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [0,1,0,0,0,1|0,0,0]=2 2845 B9R0.34 CCCC(=O)CC(=O)CO 1458a_100000210174_100000747444 [0,1,0,0,0,1|0,0,0]=2 2846 B9R0.34 CCCC(=O)CC(=O)NC 1458a_100000211992_100000183359 [0,1,0,0,0,1|0,0,0]=2 2847 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211351_100000210303 [0,1,0,0,0,1|0,0,0]=2 2848 B9R0.34 CCCC(=O)CC(=O)OC 1458a_100000211992_100000747449 [0,1,0,0,0,1|0,0,0]=2 2849 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,0,0,0,1|1,0,1]=4 2850 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,0,0,0,1|1,0,1]=4 2851 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,0,0,0,1|0,0,2]=4 2852 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,0,0,0,1|0,0,2]=4 2853 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [0,1,0,0,0,1|2,0,0]=4 2854 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [0,1,0,0,0,1|2,0,0]=4 2855 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [0,1,0,0,0,1|2,0,0]=4 2856 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,0,0,0,1|1,0,1]=4 2857 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,1|0,0,2]=4 2858 B9R0.34 CCCC(=O)NC(C)C#N 11a_100000737613_100000211992 [0,1,0,0,0,1|1,0,1]=4 2859 B9R0.34 CCCC(=O)NC(C)C#N 1626a_100000737613_100000211992 [0,1,0,0,0,1|1,0,1]=4 2860 B9R0.34 CCCC(=O)NC(C)C#N 527a_100000737613_100000211992 [0,1,0,0,0,1|1,0,1]=4 2861 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [0,1,0,0,0,1|1,0,1]=4 2862 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [0,1,0,0,0,1|1,0,1]=4 2863 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [0,1,0,0,0,1|1,0,1]=4 2864 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [0,1,0,0,0,1|1,0,1]=4 2865 B9R0.34 CCCC(=O)N[C@H](C)CF 11a_100102880703_100000211992 [0,1,0,0,0,1|1,0,1]=4 2866 B9R0.34 CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000211992 [0,1,0,0,0,1|1,0,1]=4 2867 B9R0.34 CCCC(=O)N[C@H](C)CF 240690a_100102880703_100000211992 [0,1,0,0,0,1|1,0,1]=4 2868 B9R0.34 CCCC(=O)N[C@H](C)CF 527a_100102880703_100000211992 [0,1,0,0,0,1|1,0,1]=4 2869 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,1,0,0,0,1|0,0,2]=4 2870 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,1,0,0,0,1|0,0,2]=4 2871 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,0,0,0,1|1,0,1]=4 2872 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,0,0,0,1|1,0,1]=4 2873 B9R0.34 CCCC(C)CC(=O)CF 1458a_100000748435_100015361967 [0,1,0,0,0,1|1,0,1]=4 2874 B9R0.34 CCCC(C)CC(=O)CO 1458a_100000210174_100011216630 [0,1,0,0,0,1|1,0,1]=4 2875 B9R0.34 CCCC(C)CC(=O)NC 11a_106832991635_100000748435 [0,1,0,0,0,1|1,0,1]=4 2876 B9R0.34 CCCC(C)CC(=O)NC 1626a_100102657272_100000748435 [0,1,0,0,0,1|1,0,1]=4 2877 B9R0.34 CCCC(C)CC(=O)NC 240690a_100102657272_100000748435 [0,1,0,0,0,1|1,0,1]=4 2878 B9R0.34 CCCC(C)CC(=O)NC 527a_100102657272_100000748435 [0,1,0,0,0,1|1,0,1]=4 2879 B9R0.34 CCCC(C)NC(=O)CC 11a_100000741246_100000210414 [0,1,0,0,0,1|1,0,1]=4 2880 B9R0.34 CCCC(C)NC(=O)CC 1626a_100000741246_100000210414 [0,1,0,0,0,1|1,0,1]=4 2881 B9R0.34 CCCC(C)NC(=O)CC 240690a_100000741246_100000210414 [0,1,0,0,0,1|1,0,1]=4 2882 B9R0.34 CCCC(C)NC(=O)CC 527a_100000741246_100000210414 [0,1,0,0,0,1|1,0,1]=4 2883 B9R0.34 CCCC(C)NC(=O)CO 240690a_100000741246_100000210174 [0,1,0,0,0,1|1,0,1]=4 2884 B9R0.34 CCCC(C)NC(=O)CO 527a_100000741246_100000210174 [0,1,0,0,0,1|1,0,1]=4 2885 B9R0.34 CCCC(C)NC(=O)NC 2708a_100000741246_106832991635 [0,1,0,0,0,1|1,0,1]=4 2886 B9R0.34 CCCC(C)NC(=O)NC 2708a_100102657272_100000741246 [0,1,0,0,0,1|1,0,1]=4 2887 B9R0.34 CCCC(C)NC(=O)NC 273464a_100000741246_100102657272 [0,1,0,0,0,1|1,0,1]=4 2888 B9R0.34 CCCC(C)NC(=O)NC 512a_100000741246_100102657272 [0,1,0,0,0,1|1,0,1]=4 2889 B9R0.34 CCCC(C)NC(=O)NC 512a_106832991638_100000741246 [0,1,0,0,0,1|1,0,1]=4 2890 B9R0.34 CCCN(C)CC(=O)CC 269982a_100000747261_100000747405 [0,1,0,0,0,1|2,0,0]=4 2891 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000189611_100000210303 [0,1,0,0,0,1|2,0,0]=4 2892 B9R0.34 CCCN(C)CC(=O)NC 2230a_100000747261_100000183359 [0,1,0,0,0,1|2,0,0]=4 2893 B9R0.34 CCCN(C)CC(=O)NC 269982a_100000747261_100000183359 [0,1,0,0,0,1|2,0,0]=4 2894 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000198492_100000210303 [0,1,0,0,0,1|2,0,0]=4 2895 B9R0.34 CCCN(C)CC(=O)OC 2230a_100000747261_100000747449 [0,1,0,0,0,1|2,0,0]=4 2896 B9R0.34 CCCN(C)CC(=O)OC 269982a_100000747261_100000747449 [0,1,0,0,0,1|2,0,0]=4 2897 B9R0.34 CCCS(=O)CC(=O)CC 1458a_100011387404_100000210202 [0,1,0,0,0,1|1,0,0]=3 2898 B9R0.34 CCCS(=O)CC(=O)CF 1458a_100011387404_100015361967 [0,1,0,0,0,1|1,0,0]=3 2899 B9R0.34 CCCS(=O)CC(=O)NC 11a_106832991635_100011387404 [0,1,0,0,0,1|1,0,0]=3 2900 B9R0.34 CCCS(=O)CC(=O)NC 1626a_100102657272_100011387404 [0,1,0,0,0,1|1,0,0]=3 2901 B9R0.34 CCCS(=O)CC(=O)NC 240690a_100102657272_100011387404 [0,1,0,0,0,1|1,0,0]=3 2902 B9R0.34 CCCS(=O)CC(=O)NC 527a_100102657272_100011387404 [0,1,0,0,0,1|1,0,0]=3 2903 B9R0.34 CCNC(=O)C=C(C)CC 11a_100015525214_100020758463 [0,1,0,0,0,1|2,0,0]=4 2904 B9R0.34 CCNC(=O)C=C(C)CC 240690a_100015525214_100020758463 [0,1,0,0,0,1|2,0,0]=4 2905 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [0,1,0,0,0,1|1,0,0]=3 2906 B9R0.34 CCNC(=O)CC(=O)CO 1458a_100000210174_100000183381 [0,1,0,0,0,1|1,0,0]=3 2907 B9R0.34 CCNC(=O)CC(=O)OC 240690a_100015525214_100000211351 [0,1,0,0,0,1|1,0,0]=3 2908 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [0,1,0,0,0,1|1,0,0]=3 2909 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [0,1,0,0,0,1|1,0,0]=3 2910 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [0,1,0,0,0,1|1,0,0]=3 2911 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [0,1,0,0,0,1|1,0,0]=3 2912 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [0,1,0,0,0,1|1,0,0]=3 2913 B9R0.34 CNC(=O)CC(=O)CC#N 1458a_100051588842_100000183359 [0,1,0,0,0,1|1,0,1]=4 2914 B9R0.34 CNC(=O)CC(=O)CCO 1458a_100011216618_100000183359 [0,1,0,0,0,1|1,0,0]=3 2915 B9R0.34 CNC(=O)CC(=O)COC 1458a_100000210968_100000183359 [0,1,0,0,0,1|1,0,0]=3 2916 B9R0.34 CNC(=O)CC(=O)CSC 1458a_100000184570_100000183359 [0,1,0,0,0,1|1,0,0]=3 2917 B9R0.34 CNNC(=O)CC(=O)OC 22a_100016993582_100000211351 [0,1,0,0,0,1|2,0,0]=4 2918 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100000211351_100011214920 [0,1,0,0,0,1|1,0,1]=4 2919 B9R0.34 COC(=O)CC(=O)CC#N 1458a_100051588842_100000747449 [0,1,0,0,0,1|1,0,1]=4 2920 B9R0.34 COC(=O)CC(=O)CCF 1458a_100000211351_100011217306 [0,1,0,0,0,1|1,0,0]=3 2921 B9R0.34 COC(=O)CC(=O)CCO 1458a_100000211351_100000211926 [0,1,0,0,0,1|1,0,0]=3 2922 B9R0.34 COC(=O)CC(=O)CCO 1458a_100011216618_100000747449 [0,1,0,0,0,1|1,0,0]=3 2923 B9R0.34 COC(=O)CC(=O)CSC 1458a_100000184570_100000747449 [0,1,0,0,0,1|1,0,0]=3 2924 B9R0.34 COC(=O)CC(=O)CSC 62a_100000210525_200000210301 [0,1,0,0,0,1|1,0,0]=3 2925 B9R0.34 COC(=O)CC(=O)CSC 62a_200000210301_100000210525 [0,1,0,0,0,1|1,0,0]=3 2926 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_100000210525_200025704644 [0,1,0,0,0,1|1,0,0]=3 2927 B9R0.34 COC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210525 [0,1,0,0,0,1|1,0,0]=3 2928 B9R0.34 COC(=O)NC(=O)CSC 62a_200000210301_100000010850 [0,1,0,0,0,1|1,0,0]=3 2929 B9R0.34 COC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010850 [0,1,0,0,0,1|1,0,0]=3 2930 B9R0.34 COCC(=O)CC(=O)OC 1458a_100000210968_100000747449 [0,1,0,0,0,1|1,0,0]=3 2931 B9R0.34 O=C(CO)CC(=O)NCO 1458a_100000210174_100000185155 [0,1,0,0,0,1|2,0,0]=4 2932 B9R0.44 CCCC(=O)CC(C)(C)C 1458a_100000211214_100000210303 [0,1,0,0,0,1|1,0,1]=4 2933 B9R0.44 CCCC(=O)CC(C)(C)O 1458a_100000693243_100000210303 [0,1,0,0,0,1|0,0,2]=4 2934 B9R0.44 CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210303 [0,1,0,0,0,1|1,0,0]=3 2935 B9R0.44 CCCC(=O)CS(=O)(=O)N 1458a_100000211992_100000741382 [0,1,0,0,0,1|2,0,0]=4 2936 B9R0.44 CCCC(=O)CS(=O)(=O)[O-] 1458a_100000211992_100009817235 [0,1,0,0,0,1|2,0,0]=4 2937 B9R0.44 CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210303 [0,1,0,0,0,1|2,0,0]=4 2938 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100000211992_100000233785 [0,1,0,0,0,1|1,1,0]=4 2939 B9R0.44 CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210303 [0,1,0,0,0,1|1,1,0]=4 2940 B9R0.44 CCCC(=O)NC(C)(C)C 11a_100000715429_100000211992 [0,1,0,0,0,1|1,0,1]=4 2941 B9R0.44 CCCC(=O)NC(C)(C)C 1626a_100000715429_100000211992 [0,1,0,0,0,1|1,0,1]=4 2942 B9R0.44 CCCC(=O)NC(C)(C)C 240690a_100000715429_100000211992 [0,1,0,0,0,1|1,0,1]=4 2943 B9R0.44 CCCC(=O)NC(C)(C)C 527a_100000715429_100000211992 [0,1,0,0,0,1|1,0,1]=4 2944 B9R0.44 CCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211992 [0,1,0,0,0,1|1,0,0]=3 2945 B9R0.44 CCNC(=O)CS(=O)(=O)C 11a_100015525214_100000744497 [0,1,0,0,0,1|2,0,0]=4 2946 B9R0.44 CCNC(=O)CS(=O)(=O)C 240690a_100015525214_100000744497 [0,1,0,0,0,1|2,0,0]=4 2947 B9R0.44 CCNC(=O)CS(=O)(=O)C 527a_100015525214_100000744497 [0,1,0,0,0,1|2,0,0]=4 2948 B9R0.44 CNCC(=O)NS(=O)(=O)C 7a_106832991635_100009907230 [0,1,0,0,0,1|2,0,0]=4 2949 B9R0.44 COCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210968 [0,1,0,0,0,1|2,0,0]=4 2950 B9R0.44 CS(=O)(=O)CC(=O)CCF 1458a_100000744497_100011217306 [0,1,0,0,0,1|2,0,0]=4 2951 B9R0.44 CS(=O)(=O)CC(=O)CCO 1458a_100000744497_100000211926 [0,1,0,0,0,1|2,0,0]=4 2952 B9R0.44 CS(=O)(=O)NC(=O)CCO 2740a_100000171171_100011216618 [0,1,0,0,0,1|2,0,0]=4 2953 B9R0.44 CS(=O)(=O)NC(=O)CS[13CH3] 62a_100009907230_200025704644 [0,1,0,0,0,1|2,0,0]=4 2954 B9R0.44 CS(=O)(=O)NC(=O)CS[13CH3] 62a_200025704644_100009907230 [0,1,0,0,0,1|2,0,0]=4 2955 B9R0.44 CSCC(=O)NS(=O)(=O)C 2740a_100000171171_100000184570 [0,1,0,0,0,1|2,0,0]=4 2956 B9R0.44 CSCC(=O)NS(=O)(=O)C 62a_100009907230_200000210301 [0,1,0,0,0,1|2,0,0]=4 2957 B9R0.44 CSCC(=O)NS(=O)(=O)C 62a_200000210301_100009907230 [0,1,0,0,0,1|2,0,0]=4 2958 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,1,0,0,0,1|1,0,1]=4 2959 B9R0.53 C=C(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748629 [0,1,0,0,0,1|1,0,1]=4 2960 B9R0.53 C=C(C)CC(=O)C=C(C)I 1458a_100025716642_100000748629 [0,1,0,0,0,1|1,0,1]=4 2961 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,1,0,0,0,1|1,0,1]=4 2962 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,1|1,0,0]=3 2963 B9R0.53 C=C(C)CC(=O)CN(C)C 1458a_100000750896_100000748629 [0,1,0,0,0,1|2,0,0]=4 2964 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,0,0,0,1|1,0,0]=3 2965 B9R0.53 C=C(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748629 [0,1,0,0,0,1|2,0,0]=4 2966 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,1,0,0,0,1|1,0,1]=4 2967 B9R0.53 C=C(F)CC(=O)C[C@@H](C)O 1458a_100011933948_100009893438 [0,1,0,0,0,1|1,0,1]=4 2968 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,1|1,0,0]=3 2969 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,1|1,0,0]=3 2970 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,1|1,0,0]=3 2971 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,1|1,0,0]=3 2972 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,1,0,0,0,1|1,0,0]=3 2973 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,1,0,0,0,1|1,0,0]=3 2974 B9R0.53 CC(=CC(=O)CC(F)F)C 1458a_100000211388_100011934356 [0,1,0,0,0,1|2,0,0]=4 2975 B9R0.53 CC(=CC(=O)CC(F)F)Cl 1458a_200042562850_100011934356 [0,1,0,0,0,1|2,0,0]=4 2976 B9R0.53 CC(=CC(=O)CC(F)F)I 1458a_100025716642_100011934356 [0,1,0,0,0,1|2,0,0]=4 2977 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 2978 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 2979 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 2980 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 2981 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 2982 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 2983 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,1,0,0,0,1|2,0,0]=4 2984 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,1,0,0,0,1|2,0,0]=4 2985 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,0,1|0,0,1]=3 2986 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,1,0,0,0,1|1,0,1]=4 2987 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,1|1,0,0]=3 2988 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,1|1,0,0]=3 2989 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,0,0,0,1|1,0,0]=3 2990 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,1|1,0,1]=4 2991 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,1|1,0,1]=4 2992 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,1|1,0,1]=4 2993 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,1|1,0,1]=4 2994 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,1,0,0,0,1|2,0,0]=4 2995 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,1|1,0,0]=3 2996 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,1|1,0,0]=3 2997 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,1|1,0,0]=3 2998 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,1,0,0,0,1|1,0,1]=4 2999 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,1|0,0,2]=4 3000 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,1,0,0,0,1|2,0,0]=4 3001 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,1|0,0,2]=4 3002 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,1,0,0,0,1|2,0,0]=4 3003 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,1,0,0,0,1|2,0,0]=4 3004 B9R0.53 CC(C)CC(=O)NC(C)C 11a_100138425928_100000210554 [0,1,0,0,0,1|1,0,1]=4 3005 B9R0.53 CC(C)CC(=O)NC(C)C 1626a_100138425928_100000210554 [0,1,0,0,0,1|1,0,1]=4 3006 B9R0.53 CC(C)CC(=O)NC(C)C 240690a_100138425928_100000210554 [0,1,0,0,0,1|1,0,1]=4 3007 B9R0.53 CC(C)CC(=O)NC(C)C 527a_100138425928_100000210554 [0,1,0,0,0,1|1,0,1]=4 3008 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,0,1|2,0,0]=4 3009 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,0,1|2,0,0]=4 3010 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,1,0,0,0,1|1,0,1]=4 3011 B9R0.53 CC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218427 [0,1,0,0,0,1|2,0,0]=4 3012 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,1,0,0,0,1|1,0,0]=3 3013 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,1,0,0,0,1|2,0,0]=4 3014 B9R0.53 CC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218427 [0,1,0,0,0,1|0,0,2]=4 3015 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,1,0,0,0,1|2,0,0]=4 3016 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,1,0,0,0,1|2,0,0]=4 3017 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,1,0,0,0,1|2,0,0]=4 3018 B9R0.53 CN(C)CC(=O)NC(=O)N 2230a_100102631434_100000182717 [0,1,0,0,0,1|2,0,0]=4 3019 B9R0.53 CN(C)CC(=O)NC(=O)N 269982a_100102631434_100000182717 [0,1,0,0,0,1|2,0,0]=4 3020 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,1,0,0,0,1|1,0,0]=3 3021 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,1,0,0,0,1|1,0,0]=3 3022 B9R0.53 C[C@@H](O)CC(=O)C[N+](=O)[O-] 1458a_100011933948_100000761209 [0,1,0,0,0,1|2,0,0]=4 3023 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,1,0,0,0,1|2,0,0]=4 3024 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,1,0,0,0,1|2,0,0]=4 3025 B9R0.53 NC(=O)CC(=O)CC(F)F 1458a_100134613110_100011934356 [0,1,0,0,0,1|2,0,0]=4 3026 B9R0.58 CC(=O)NS(=O)(=O)CCO 2740a_100012334274_100015343762 [0,1,0,0,0,1|2,0,0]=4 3027 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,1,0,0,0,1|0,0,2]=4 3028 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,1,0,0,0,1|0,0,2]=4 3029 B9R0.58 CCCS(=O)(=O)NC(=O)C 2740a_100000171175_100015343762 [0,1,0,0,0,1|1,0,0]=3 3030 B9R0.25 CCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000758301 [0,2,0,0,0,0|1,0,1]=4 3031 B9R0.25 CCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000758301 [0,2,0,0,0,0|1,0,1]=4 3032 B9R0.25 CCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000758301 [0,2,0,0,0,0|0,0,2]=4 3033 B9R0.27 C#CC(C)C(=O)C(=O)NC 1458a_100011218921_200000035995 [0,2,0,0,0,0|0,0,2]=4 3034 B9R0.27 C#CC(C)C(=O)C(C)CC 1458a_100011192722_200000035995 [0,2,0,0,0,0|1,0,1]=4 3035 B9R0.27 C#CC(C)C(=O)C(O)CC 1458a_100011196387_200000035995 [0,2,0,0,0,0|1,0,1]=4 3036 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,2,0,0,0,0|1,0,0]=3 3037 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 11a_100000225621_100020587367 [0,2,0,0,0,0|2,0,0]=4 3038 B9R0.27 C/C=C(\C)/C(=O)N(C)CC 1626a_100000225621_100020587367 [0,2,0,0,0,0|2,0,0]=4 3039 B9R0.27 C=CC(C)C(=O)C(C)CC 1458a_100011216780_100000758301 [0,2,0,0,0,0|1,0,1]=4 3040 B9R0.27 CCC(=O)N(C)C(C)CC 11a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 3041 B9R0.27 CCC(=O)N(C)C(C)CC 1626a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 3042 B9R0.27 CCC(=O)N(C)C(C)CC 240690a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 3043 B9R0.27 CCC(=O)N(C)C(C)CC 527a_100000741768_100000210414 [0,2,0,0,0,0|2,0,0]=4 3044 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|0,0,0]=2 3045 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100000753662_100000758301 [0,2,0,0,0,0|1,0,1]=4 3046 B9R0.27 CCC(C)C(=O)C(C)C#N 1458a_100011192722_100000703298 [0,2,0,0,0,0|1,0,1]=4 3047 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,2,0,0,0,0|1,0,1]=4 3048 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,2,0,0,0,0|0,0,2]=4 3049 B9R0.27 CCC(C)C(=O)C(C)SC 1458a_100000149566_100000758301 [0,2,0,0,0,0|0,1,1]=4 3050 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,2,0,0,0,0|0,0,2]=4 3051 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,2,0,0,0,0|0,0,2]=4 3052 B9R0.27 CCC(C)C(=O)N(C)CC 11a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3053 B9R0.27 CCC(C)C(=O)N(C)CC 1626a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3054 B9R0.27 CCC(C)C(=O)N(C)CC 240690a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3055 B9R0.27 CCC(C)C(=O)N(C)CC 527a_100000225621_100011192722 [0,2,0,0,0,0|2,0,0]=4 3056 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 3057 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 3058 B9R0.27 CCC(C)N(C)C(=O)NC 2708a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 3059 B9R0.27 CCC(C)N(C)C(=O)NC 273464a_100102657272_100000741768 [0,2,0,0,0,0|2,0,0]=4 3060 B9R0.27 CCC(O)C(=O)C(C)C#N 1458a_100011196387_100000703298 [0,2,0,0,0,0|1,0,1]=4 3061 B9R0.27 CCC(O)C(=O)N(C)CC 240690a_100000225621_100011196387 [0,2,0,0,0,0|2,0,0]=4 3062 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,2,0,0,0,0|1,0,0]=3 3063 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,2,0,0,0,0|1,0,0]=3 3064 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,2,0,0,0,0|1,0,0]=3 3065 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 3066 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 3067 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 3068 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 3069 B9R0.27 CNC(=O)C(=O)C(C)C#N 1458a_100011218921_100000703298 [0,2,0,0,0,0|1,0,1]=4 3070 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,2,0,0,0,0|1,0,0]=3 3071 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,2,0,0,0,0|1,0,0]=3 3072 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|1,0,0]=3 3073 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|1,0,0]=3 3074 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|1,0,0]=3 3075 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|1,0,0]=3 3076 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|1,0,0]=3 3077 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 3078 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 3079 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,2,0,0,0,0|2,0,0]=4 3080 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.32 CCC(C)(C)C(=O)C(C)C 1458a_100000749717_100000210206 [0,2,0,0,0,0|1,0,1]=4 3082 B9R0.32 CCC(C)(C)C(=O)N(C)C 11a_100102631434_100000749717 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.32 CCC(C)(C)C(=O)N(C)C 1626a_100102631434_100000749717 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.32 CCC(C)(C)C(=O)N(C)C 240690a_100102631434_100000749717 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.32 CCC(C)(C)C(=O)N(C)C 527a_100102631434_100000749717 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.32 CCC(C)(O)C(=O)C(C)C 1458a_100011219770_100000210206 [0,2,0,0,0,0|1,0,1]=4 3091 B9R0.32 CCC(C)(O)C(=O)N(C)C 240690a_100102631434_100011219770 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.32 CCC(F)(F)C(=O)C(C)C 1458a_100000061896_100000210206 [0,2,0,0,0,0|1,0,1]=4 3093 B9R0.32 CCC(F)(F)C(=O)N(C)C 11a_100102631434_100000061896 [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.32 CCC(F)(F)C(=O)N(C)C 1626a_100102631434_100000061896 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.32 CCC(F)(F)C(=O)N(C)C 240690a_100102631434_100000061896 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.32 CCC(F)(F)C(=O)N(C)C 527a_100102631434_100000061896 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.41 C=C(C)C(=O)C(CC)CC 1458a_100000185857_100000210505 [0,2,0,0,0,0|1,0,0]=3 3098 B9R0.41 C=C(C)C(=O)N(CC)CC 11a_100000724800_100000185857 [0,2,0,0,0,0|2,0,0]=4 3099 B9R0.41 C=C(C)C(=O)N(CC)CC 1626a_100000724800_100000185857 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000210198_100000210505 [0,2,0,0,0,0|1,0,1]=4 3101 B9R0.41 CCC(CC)C(=O)C(C)C 1458a_100000211163_100000210206 [0,2,0,0,0,0|1,0,1]=4 3102 B9R0.41 CCC(CC)C(=O)C(C)F 1458a_100000062450_100000210505 [0,2,0,0,0,0|1,0,1]=4 3103 B9R0.41 CCC(CC)C(=O)N(C)C 11a_100102631434_100000211163 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.41 CCC(CC)C(=O)N(C)C 1626a_100102631434_100000211163 [0,2,0,0,0,0|2,0,0]=4 3105 B9R0.41 CCC(CC)C(=O)N(C)C 240690a_100102631434_100000211163 [0,2,0,0,0,0|2,0,0]=4 3106 B9R0.41 CCC(CC)C(=O)N(C)C 527a_100102631434_100000211163 [0,2,0,0,0,0|2,0,0]=4 3107 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,2,0,0,0,0|0,0,2]=4 3108 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,2,0,0,0,0|0,0,2]=4 3109 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 3110 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 3111 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [0,2,0,0,0,0|2,0,0]=4 3112 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [0,2,0,0,0,0|2,0,0]=4 3113 B9R0.41 CCC(NC)C(=O)N(C)C 2230a_106832991635_100011763435 [0,2,0,0,0,0|2,0,0]=4 3114 B9R0.41 CCC(NC)C(=O)N(C)C 34a_100102657272_100011763435 [0,2,0,0,0,0|2,0,0]=4 3115 B9R0.41 CCC(NC)C(=O)N(C)C 7a_106832991635_100011763435 [0,2,0,0,0,0|2,0,0]=4 3116 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [0,2,0,0,0,0|1,0,1]=4 3117 B9R0.41 CCC(OC)C(=O)N(C)C 11a_100102631434_100000747056 [0,2,0,0,0,0|2,0,0]=4 3118 B9R0.41 CCC(OC)C(=O)N(C)C 1626a_100102631434_100000747056 [0,2,0,0,0,0|2,0,0]=4 3119 B9R0.41 CCC(OC)C(=O)N(C)C 240690a_100102631434_100000747056 [0,2,0,0,0,0|2,0,0]=4 3120 B9R0.41 CCC(OC)C(=O)N(C)C 34a_100138415774_100011763435 [0,2,0,0,0,0|2,0,0]=4 3121 B9R0.41 CCC(OC)C(=O)N(C)C 527a_100102631434_100000747056 [0,2,0,0,0,0|2,0,0]=4 3122 B9R0.41 CCC(SC)C(=O)N(C)C 62a_100011763435_200000210301 [0,2,0,0,0,0|2,0,0]=4 3123 B9R0.41 CCC(SC)C(=O)N(C)C 62a_200000210301_100011763435 [0,2,0,0,0,0|2,0,0]=4 3124 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_100011763435_200025704644 [0,2,0,0,0,0|2,0,0]=4 3125 B9R0.41 CCC(S[13CH3])C(=O)N(C)C 62a_200025704644_100011763435 [0,2,0,0,0,0|2,0,0]=4 3126 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,2,0,0,0,0|1,0,0]=3 3127 B9R0.41 CCN(CC)C(=O)C(=O)N 240690a_100000724800_100011215815 [0,2,0,0,0,0|2,0,0]=4 3128 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,2,0,0,0,0|1,0,0]=3 3129 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 2230a_100102699731_200000210301 [0,2,0,0,0,0|2,0,0]=4 3130 B9R0.41 CC[C@@H](NC)C(=O)N(C)C 34a_100102699731_200000210301 [0,2,0,0,0,0|2,0,0]=4 3131 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 2230a_100102699731_200025704644 [0,2,0,0,0,0|2,0,0]=4 3132 B9R0.41 CC[C@@H](N[13CH3])C(=O)N(C)C 34a_100102699731_200025704644 [0,2,0,0,0,0|2,0,0]=4 3133 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,2,0,0,0,0|1,0,1]=4 3134 B9R0.79 C=C(C)C(=O)N(C)C(C)C 11a_200000211004_100000185857 [0,2,0,0,0,0|2,0,0]=4 3135 B9R0.79 C=C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000185857 [0,2,0,0,0,0|2,0,0]=4 3136 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 3137 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 3138 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [0,2,0,0,0,0|2,0,0]=4 3139 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [0,2,0,0,0,0|2,0,0]=4 3140 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,2,0,0,0,0|1,0,1]=4 3141 B9R0.79 CC(C)C(=O)[C@H](O)C(C)C 1458a_100000691806_100000210206 [0,2,0,0,0,0|1,0,1]=4 3142 B9R0.79 CC(C)C(C)C(=O)N(C)C 11a_100102631434_100000755409 [0,2,0,0,0,0|2,0,0]=4 3143 B9R0.79 CC(C)C(C)C(=O)N(C)C 1626a_100102631434_100000755409 [0,2,0,0,0,0|2,0,0]=4 3144 B9R0.79 CC(C)C(C)C(=O)N(C)C 240690a_100102631434_100000755409 [0,2,0,0,0,0|2,0,0]=4 3145 B9R0.79 CC(C)C(C)C(=O)N(C)C 527a_100102631434_100000755409 [0,2,0,0,0,0|2,0,0]=4 3146 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,2,0,0,0,0|2,0,0]=4 3147 B9R0.79 CC(C)[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000691806 [0,2,0,0,0,0|2,0,0]=4 3148 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,2,0,0,0,0|1,0,1]=4 3152 B9R0.8 C#CC(C)C(=O)CSCC 1458a_100000230394_200000035995 [0,2,0,0,0,0|1,0,1]=4 3153 B9R0.8 C#CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000753159 [0,2,0,0,0,0|1,0,1]=4 3154 B9R0.8 C#CCCC(=O)C(=O)NC 1458a_100011218921_100000753159 [0,2,0,0,0,0|0,0,1]=3 3155 B9R0.8 C#CCNC(=O)C(=O)NC 1626a_100000212058_100011218921 [0,2,0,0,0,0|0,0,2]=4 3156 B9R0.8 C#CCNC(=O)C(=O)NC 240690a_100000212058_100011218921 [0,2,0,0,0,0|0,0,2]=4 3157 B9R0.8 C#CCNC(=O)C(=O)NC 527a_100000212058_100011218921 [0,2,0,0,0,0|0,0,2]=4 3158 B9R0.8 C#CCNC(=O)C(=O)OC 11a_100000212058_100000024059 [0,2,0,0,0,0|0,0,2]=4 3159 B9R0.8 C#CCNC(=O)C(=O)OC 1626a_100000212058_100000024059 [0,2,0,0,0,0|0,0,2]=4 3160 B9R0.8 C#CCNC(=O)C(=O)OC 240690a_100000212058_100000024059 [0,2,0,0,0,0|0,0,2]=4 3161 B9R0.8 C#CCNC(=O)C(=O)OC 527a_100000212058_100000024059 [0,2,0,0,0,0|0,0,2]=4 3162 B9R0.8 C/C=C(\C)/C(=O)CCC#N 1458a_100020587367_100011215226 [0,2,0,0,0,0|1,0,1]=4 3163 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,2,0,0,0,0|1,0,0]=3 3164 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,2,0,0,0,0|1,0,0]=3 3165 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,2,0,0,0,0|1,0,0]=3 3166 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,2,0,0,0,0|1,0,0]=3 3167 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,2,0,0,0,0|1,0,0]=3 3168 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,2,0,0,0,0|1,0,0]=3 3169 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,2,0,0,0,0|1,0,0]=3 3170 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,2,0,0,0,0|2,0,0]=4 3171 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,2,0,0,0,0|2,0,0]=4 3172 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,2,0,0,0,0|2,0,0]=4 3173 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [0,2,0,0,0,0|1,0,1]=4 3174 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,2,0,0,0,0|0,0,1]=3 3175 B9R0.8 C=C(CO)C(=O)NNCC 22a_100000756455_200000705526 [0,2,0,0,0,0|2,0,0]=4 3176 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,2,0,0,0,0|1,0,0]=3 3177 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,2,0,0,0,0|1,0,0]=3 3178 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,2,0,0,0,0|1,0,0]=3 3179 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,2,0,0,0,0|1,0,1]=4 3182 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,2,0,0,0,0|1,0,1]=4 3183 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,2,0,0,0,0|1,0,1]=4 3184 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,2,0,0,0,0|1,0,1]=4 3185 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,2,0,0,0,0|1,0,1]=4 3186 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,2,0,0,0,0|1,0,1]=4 3187 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,2,0,0,0,0|1,0,1]=4 3188 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,2,0,0,0,0|1,0,1]=4 3189 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,2,0,0,0,0|1,0,1]=4 3190 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,2,0,0,0,0|1,0,1]=4 3191 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,2,0,0,0,0|0,0,1]=3 3192 B9R0.8 C=CCNC(=O)C(=O)NC 1626a_100020586998_100011218921 [0,2,0,0,0,0|0,0,2]=4 3193 B9R0.8 C=CCNC(=O)C(=O)NC 240690a_100020586998_100011218921 [0,2,0,0,0,0|0,0,2]=4 3194 B9R0.8 C=CCNC(=O)C(=O)NC 527a_100020586998_100011218921 [0,2,0,0,0,0|0,0,2]=4 3195 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,2,0,0,0,0|0,0,2]=4 3196 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,2,0,0,0,0|0,0,2]=4 3197 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,2,0,0,0,0|0,0,2]=4 3198 B9R0.8 CC#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000748600 [0,2,0,0,0,0|1,0,1]=4 3199 B9R0.8 CC#CCC(=O)C(=O)NC 1458a_100011218921_100000748600 [0,2,0,0,0,0|0,0,1]=3 3200 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,2,0,0,0,0|1,0,1]=4 3201 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,2,0,0,0,0|1,0,1]=4 3202 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [0,2,0,0,0,0|1,0,1]=4 3203 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,2,0,0,0,0|0,0,1]=3 3204 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,2,0,0,0,0|0,0,2]=4 3205 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,2,0,0,0,0|2,0,0]=4 3215 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,2,0,0,0,0|1,0,1]=4 3216 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,2,0,0,0,0|1,0,1]=4 3217 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,2,0,0,0,0|1,0,1]=4 3218 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,2,0,0,0,0|1,0,1]=4 3219 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,2,0,0,0,0|1,0,1]=4 3220 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,2,0,0,0,0|1,0,1]=4 3221 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,2,0,0,0,0|0,0,2]=4 3222 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,2,0,0,0,0|0,0,2]=4 3223 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,2,0,0,0,0|0,0,2]=4 3224 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,2,0,0,0,0|0,0,2]=4 3225 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,2,0,0,0,0|1,0,0]=3 3226 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,2,0,0,0,0|1,0,0]=3 3228 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,2,0,0,0,0|1,0,0]=3 3229 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,2,0,0,0,0|1,0,0]=3 3230 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,2,0,0,0,0|0,0,0]=2 3231 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,2,0,0,0,0|1,0,1]=4 3232 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,2,0,0,0,0|1,0,1]=4 3233 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,2,0,0,0,0|1,0,1]=4 3234 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,2,0,0,0,0|1,0,1]=4 3235 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,2,0,0,0,0|0,0,2]=4 3236 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,2,0,0,0,0|0,1,1]=4 3237 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,2,0,0,0,0|0,0,2]=4 3238 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,2,0,0,0,0|0,0,2]=4 3239 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3240 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3241 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3242 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,2,0,0,0,0|2,0,0]=4 3243 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,2,0,0,0,0|1,0,1]=4 3244 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,2,0,0,0,0|1,0,1]=4 3245 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,2,0,0,0,0|1,0,1]=4 3246 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,2,0,0,0,0|1,0,1]=4 3247 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,2,0,0,0,0|1,0,1]=4 3248 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,2,0,0,0,0|1,0,1]=4 3249 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,2,0,0,0,0|1,0,1]=4 3250 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,2,0,0,0,0|1,0,1]=4 3251 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,2,0,0,0,0|0,0,2]=4 3252 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,2,0,0,0,0|0,0,2]=4 3253 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,2,0,0,0,0|0,0,2]=4 3254 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,2,0,0,0,0|0,0,2]=4 3255 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3256 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3258 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,2,0,0,0,0|2,0,0]=4 3259 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 3260 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,2,0,0,0,0|2,0,0]=4 3262 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,2,0,0,0,0|2,0,0]=4 3263 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,2,0,0,0,0|0,0,0]=2 3264 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,2,0,0,0,0|0,0,0]=2 3265 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,2,0,0,0,0|0,0,0]=2 3266 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,2,0,0,0,0|0,0,0]=2 3267 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,2,0,0,0,0|0,0,0]=2 3268 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,2,0,0,0,0|0,0,0]=2 3269 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,2,0,0,0,0|0,0,0]=2 3270 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,2,0,0,0,0|0,0,0]=2 3271 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,2,0,0,0,0|0,0,0]=2 3272 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,2,0,0,0,0|0,0,0]=2 3273 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,2,0,0,0,0|0,0,0]=2 3274 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,2,0,0,0,0|0,0,0]=2 3275 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,2,0,0,0,0|1,0,1]=4 3276 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,2,0,0,0,0|1,0,1]=4 3277 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,2,0,0,0,0|1,0,1]=4 3278 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,2,0,0,0,0|1,0,1]=4 3279 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,2,0,0,0,0|1,0,1]=4 3280 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,2,0,0,0,0|1,0,1]=4 3281 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,2,0,0,0,0|1,0,1]=4 3282 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,2,0,0,0,0|1,0,1]=4 3283 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,2,0,0,0,0|1,0,1]=4 3284 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,2,0,0,0,0|1,0,1]=4 3285 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,2,0,0,0,0|1,0,1]=4 3286 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,2,0,0,0,0|1,0,1]=4 3287 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,2,0,0,0,0|1,0,1]=4 3288 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,2,0,0,0,0|1,0,1]=4 3289 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,2,0,0,0,0|1,0,1]=4 3290 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,2,0,0,0,0|0,0,2]=4 3291 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,2,0,0,0,0|0,0,2]=4 3292 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,2,0,0,0,0|0,0,2]=4 3293 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,2,0,0,0,0|0,0,2]=4 3294 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,2,0,0,0,0|0,0,2]=4 3295 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,2,0,0,0,0|0,1,1]=4 3296 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,2,0,0,0,0|0,1,1]=4 3297 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,2,0,0,0,0|0,1,1]=4 3298 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,2,0,0,0,0|0,1,1]=4 3299 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,2,0,0,0,0|0,1,1]=4 3300 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,2,0,0,0,0|0,1,1]=4 3301 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,2,0,0,0,0|0,1,1]=4 3302 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,2,0,0,0,0|0,1,1]=4 3303 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,2,0,0,0,0|0,0,2]=4 3304 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,2,0,0,0,0|0,0,2]=4 3305 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 3306 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,2,0,0,0,0|1,0,1]=4 3308 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,2,0,0,0,0|1,0,1]=4 3309 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,2,0,0,0,0|1,0,1]=4 3310 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,2,0,0,0,0|1,0,1]=4 3311 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,2,0,0,0,0|1,0,1]=4 3312 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,2,0,0,0,0|0,0,2]=4 3313 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,2,0,0,0,0|0,0,2]=4 3314 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,2,0,0,0,0|0,0,2]=4 3315 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,2,0,0,0,0|0,0,2]=4 3316 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,2,0,0,0,0|0,0,2]=4 3317 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,2,0,0,0,0|0,1,1]=4 3318 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,2,0,0,0,0|0,1,1]=4 3319 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,2,0,0,0,0|0,1,1]=4 3320 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,2,0,0,0,0|0,1,1]=4 3321 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,2,0,0,0,0|1,0,1]=4 3322 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,2,0,0,0,0|1,0,1]=4 3323 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,2,0,0,0,0|1,0,1]=4 3324 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,2,0,0,0,0|1,0,1]=4 3325 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,2,0,0,0,0|1,0,1]=4 3326 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,2,0,0,0,0|1,0,1]=4 3327 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,2,0,0,0,0|1,0,1]=4 3328 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,2,0,0,0,0|1,0,1]=4 3329 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,2,0,0,0,0|1,0,1]=4 3330 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,2,0,0,0,0|1,0,1]=4 3331 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,2,0,0,0,0|1,0,1]=4 3332 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,2,0,0,0,0|1,0,1]=4 3333 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 3334 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 3335 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,2,0,0,0,0|2,0,0]=4 3337 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 3338 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 3339 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 3340 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,2,0,0,0,0|2,0,0]=4 3342 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,2,0,0,0,0|1,0,1]=4 3343 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,2,0,0,0,0|1,0,1]=4 3344 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,2,0,0,0,0|1,0,1]=4 3345 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,2,0,0,0,0|1,0,1]=4 3346 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,2,0,0,0,0|2,0,0]=4 3347 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,2,0,0,0,0|1,0,0]=3 3348 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,2,0,0,0,0|0,0,0]=2 3349 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,2,0,0,0,0|1,0,1]=4 3350 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,2,0,0,0,0|1,0,1]=4 3351 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,2,0,0,0,0|1,0,1]=4 3357 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,2,0,0,0,0|1,0,1]=4 3358 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,2,0,0,0,0|1,0,1]=4 3359 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,2,0,0,0,0|1,0,1]=4 3360 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,2,0,0,0,0|1,0,1]=4 3361 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,2,0,0,0,0|0,0,0]=2 3362 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,2,0,0,0,0|0,0,0]=2 3363 B9R0.8 CCSCC(=O)C(C)C#N 1458a_100000230394_100000703298 [0,2,0,0,0,0|1,0,1]=4 3364 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,2,0,0,0,0|1,0,1]=4 3365 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 3366 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 3368 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,2,0,0,0,0|2,0,0]=4 3369 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,2,0,0,0,0|2,0,0]=4 3370 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,2,0,0,0,0|2,0,0]=4 3371 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,2,0,0,0,0|1,0,1]=4 3372 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,2,0,0,0,0|1,0,1]=4 3373 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,2,0,0,0,0|1,0,1]=4 3374 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,2,0,0,0,0|1,0,1]=4 3375 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 3376 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,2,0,0,0,0|2,0,0]=4 3377 B9R0.8 CNC(=O)C(=O)CCC#N 1458a_100011218921_100011215226 [0,2,0,0,0,0|0,0,1]=3 3378 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,2,0,0,0,0|0,0,0]=2 3379 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,2,0,0,0,0|0,0,0]=2 3380 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,2,0,0,0,0|0,0,0]=2 3381 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,2,0,0,0,0|0,0,0]=2 3382 B9R0.8 CNC(=O)C(=O)NCC#N 1626a_100000734998_100011218921 [0,2,0,0,0,0|1,0,1]=4 3383 B9R0.8 CNC(=O)C(=O)NCC#N 527a_100000734998_100011218921 [0,2,0,0,0,0|1,0,1]=4 3384 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,2,0,0,0,0|1,0,0]=3 3386 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,2,0,0,0,0|1,0,0]=3 3387 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,2,0,0,0,0|1,0,0]=3 3388 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,2,0,0,0,0|1,0,0]=3 3389 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,2,0,0,0,0|0,0,2]=4 3390 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 3391 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,2,0,0,0,0|2,0,0]=4 3392 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 3393 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,2,0,0,0,0|2,0,0]=4 3394 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 3395 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,2,0,0,0,0|2,0,0]=4 3396 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,2,0,0,0,0|1,0,1]=4 3397 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,2,0,0,0,0|1,0,1]=4 3398 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,2,0,0,0,0|1,0,1]=4 3399 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,2,0,0,0,0|1,0,0]=3 3400 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,2,0,0,0,0|1,0,0]=3 3401 B9R0.8 COC(=O)C(=O)NCC#N 1626a_100000734998_100000024059 [0,2,0,0,0,0|1,0,1]=4 3402 B9R0.8 COC(=O)C(=O)NCC#N 527a_100000734998_100000024059 [0,2,0,0,0,0|1,0,1]=4 3403 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 3404 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 3405 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 3406 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,2,0,0,0,0|1,0,0]=3 3408 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,2,0,0,0,0|1,0,0]=3 3409 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,2,0,0,0,0|1,0,1]=4 3410 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,2,0,0,0,0|1,0,1]=4 3411 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,2,0,0,0,0|1,0,1]=4 3412 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,2,0,0,0,0|1,0,1]=4 3413 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,2,0,0,0,0|0,0,2]=4 3414 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,2,0,0,0,0|0,0,2]=4 3415 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,2,0,0,0,0|0,0,2]=4 3416 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,2,0,0,0,0|1,0,1]=4 3417 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,2,0,0,0,0|1,0,1]=4 3418 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,2,0,0,0,0|0,0,2]=4 3419 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,2,0,0,0,0|0,1,1]=4 3420 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,2,0,0,0,0|0,0,2]=4 3421 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,2,0,0,0,0|1,0,1]=4 3422 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 3423 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,2,0,0,0,0|2,0,0]=4 3424 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,2,0,0,0,0|0,1,1]=4 3425 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,2,0,0,0,0|0,1,1]=4 3426 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,2,0,0,0,0|1,0,1]=4 3427 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,2,0,0,0,0|1,0,1]=4 3428 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,2,0,0,0,0|0,1,1]=4 3429 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,2,0,0,0,0|0,0,2]=4 3430 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,2,0,0,0,0|0,0,2]=4 3431 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,2,0,0,0,0|0,0,2]=4 3434 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,2,0,0,0,0|0,0,2]=4 3435 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|1,0,1]=4 3436 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|1,0,1]=4 3437 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [0,2,0,0,0,0|1,0,1]=4 3438 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|1,0,1]=4 3439 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,2,0,0,0,0|1,0,1]=4 3440 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,2,0,0,0,0|1,0,1]=4 3441 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,2,0,0,0,0|1,0,1]=4 3442 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,2,0,0,0,0|1,0,1]=4 3443 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,2,0,0,0,0|1,0,1]=4 3444 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,2,0,0,0,0|1,0,1]=4 3445 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,2,0,0,0,0|1,0,1]=4 3446 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,2,0,0,0,0|1,0,1]=4 3447 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,2,0,0,0,0|1,0,1]=4 3448 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,2,0,0,0,0|1,0,1]=4 3449 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,2,0,0,0,0|1,0,1]=4 3450 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,2,0,0,0,0|0,0,2]=4 3451 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,2,0,0,0,0|0,1,1]=4 3452 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,2,0,0,0,0|0,1,1]=4 3453 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,2,0,0,0,0|0,1,1]=4 3454 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,2,0,0,0,0|0,1,1]=4 3455 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 3456 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 3457 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 3458 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,2,0,0,0,0|2,0,0]=4 3459 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,2,0,0,0,0|2,0,0]=4 3460 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,2,0,0,0,0|2,0,0]=4 3461 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 3462 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [0,2,0,0,0,0|2,0,0]=4 3463 B9R0.12 CCOC(C=O)C(=O)OC 34a_100121572206_100000046368 [0,2,0,0,0,0|1,0,1]=4 3464 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000046368_100000210202 [0,2,0,0,0,0|1,0,1]=4 3465 B9R0.12 CCSC(C=O)C(=O)OC 62a_100000210202_100000046368 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000079900_100000210303 [0,2,0,0,0,0|1,0,1]=4 3467 B9R0.19 C#CC(C)(C)C(=O)CCC 1458a_100000211992_100000038118 [0,2,0,0,0,0|1,0,1]=4 3468 B9R0.19 C=CC(C)(C)C(=O)CCC 1458a_100012027013_100000210303 [0,2,0,0,0,0|1,0,1]=4 3469 B9R0.19 CCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210303 [0,2,0,0,0,0|1,0,1]=4 3470 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,2,0,0,0,0|1,0,1]=4 3471 B9R0.19 CCCC(=O)C(C)(C)CF 1458a_100000138116_100000210303 [0,2,0,0,0,0|1,0,1]=4 3472 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,2,0,0,0,0|0,0,2]=4 3473 B9R0.19 CCCC(=O)C(C)(C)OC 1458a_100000753492_100000210303 [0,2,0,0,0,0|0,0,2]=4 3474 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,2,0,0,0,0|0,0,2]=4 3475 B9R0.19 CCCC(=O)C(F)(F)CC 1458a_100000061896_100000210303 [0,2,0,0,0,0|1,0,1]=4 3476 B9R0.35 C#CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000184674 [0,2,0,0,0,0|1,0,1]=4 3477 B9R0.35 C#CCC(=O)C(=O)NCC 1458a_200011297158_100000184674 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100000210906_100000184674 [0,2,0,0,0,0|1,0,1]=4 3479 B9R0.35 C#CCC(=O)C(C)CCC 1458a_100011220946_100000766640 [0,2,0,0,0,0|1,0,1]=4 3480 B9R0.35 C#CCC(=O)N(C)CCC 1626a_100000747261_100011220946 [0,2,0,0,0,0|2,0,0]=4 3481 B9R0.35 C#CCC(=O)N(C)CCC 527a_100000747261_100011220946 [0,2,0,0,0,0|2,0,0]=4 3482 B9R0.35 C#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000184674 [0,2,0,0,0,0|0,0,2]=4 3483 B9R0.35 C#CCN(C)C(=O)CCC 11a_100000225692_100000211992 [0,2,0,0,0,0|2,0,0]=4 3484 B9R0.35 C#CCN(C)C(=O)CCC 1626a_100000225692_100000211992 [0,2,0,0,0,0|2,0,0]=4 3485 B9R0.35 C#CCN(C)C(=O)CCC 527a_100000225692_100000211992 [0,2,0,0,0,0|2,0,0]=4 3486 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [0,2,0,0,0,0|2,0,0]=4 3487 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [0,2,0,0,0,0|2,0,0]=4 3488 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [0,2,0,0,0,0|2,0,0]=4 3489 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [0,2,0,0,0,0|2,0,0]=4 3490 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [0,2,0,0,0,0|2,0,0]=4 3491 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [0,2,0,0,0,0|2,0,0]=4 3493 B9R0.35 C=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000210623 [0,2,0,0,0,0|1,0,1]=4 3494 B9R0.35 C=CCC(=O)C(=O)NCC 1458a_200011297158_100000210623 [0,2,0,0,0,0|1,0,0]=3 3495 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210193_100000766640 [0,2,0,0,0,0|1,0,1]=4 3496 B9R0.35 C=CCC(=O)C(C)CCC 1458a_100000210906_100000210623 [0,2,0,0,0,0|1,0,1]=4 3497 B9R0.35 C=CCC(=O)N(C)CCC 11a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 3498 B9R0.35 C=CCC(=O)N(C)CCC 1626a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 3499 B9R0.35 C=CCC(=O)N(C)CCC 240690a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 3500 B9R0.35 C=CCC(=O)N(C)CCC 527a_100000747261_100000210193 [0,2,0,0,0,0|2,0,0]=4 3501 B9R0.35 C=CCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210623 [0,2,0,0,0,0|0,0,2]=4 3502 B9R0.35 C=CCC(C)C(=O)CCC 1458a_100011216819_100000210303 [0,2,0,0,0,0|1,0,1]=4 3503 B9R0.35 C=CCN(C)C(=O)CCC 11a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 3504 B9R0.35 C=CCN(C)C(=O)CCC 1626a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.35 C=CCN(C)C(=O)CCC 240690a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 3506 B9R0.35 C=CCN(C)C(=O)CCC 527a_100000225617_100000211992 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [0,2,0,0,0,0|1,0,1]=4 3508 B9R0.35 CC/C=C(\C)/C(=O)CC#N 1458a_100016988807_100011214920 [0,2,0,0,0,0|1,0,1]=4 3509 B9R0.35 CC/C=C(\C)/C(=O)CCC 1458a_100016988807_100000210303 [0,2,0,0,0,0|1,0,0]=3 3510 B9R0.35 CC/C=C(\C)/C(=O)CCF 1458a_100016988807_100011217306 [0,2,0,0,0,0|1,0,1]=4 3511 B9R0.35 CC/C=C(\C)/C(=O)CCO 1458a_100016988807_100000211926 [0,2,0,0,0,0|1,0,1]=4 3512 B9R0.35 CC/C=C(\C)/C(=O)NCC 11a_100015525214_100016988807 [0,2,0,0,0,0|1,0,1]=4 3513 B9R0.35 CC/C=C(\C)/C(=O)NCC 240690a_100015525214_100016988807 [0,2,0,0,0,0|1,0,1]=4 3514 B9R0.35 CC/C=C(\C)/C(=O)NCC 527a_100015525214_100016988807 [0,2,0,0,0,0|1,0,1]=4 3515 B9R0.35 CC/C=C(\C)/C(=O)NNC 22a_100016993582_100016988807 [0,2,0,0,0,0|1,0,1]=4 3516 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,2,0,0,0,0|1,0,1]=4 3517 B9R0.35 CC=CC(=O)N(C)CCC 11a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 3518 B9R0.35 CC=CC(=O)N(C)CCC 1626a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.35 CC=CC(=O)N(C)CCC 240690a_100000747261_100000210699 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.35 CCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210303 [0,2,0,0,0,0|0,0,1]=3 3521 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [0,2,0,0,0,0|0,0,0]=2 3522 B9R0.35 CCCC(=O)C(C)CC#N 1458a_100000211992_100009813641 [0,2,0,0,0,0|1,0,1]=4 3523 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,2,0,0,0,0|1,0,1]=4 3524 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,2,0,0,0,0|1,0,1]=4 3525 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|0,0,2]=4 3526 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|0,0,2]=4 3527 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|0,0,2]=4 3528 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [0,2,0,0,0,0|0,1,1]=4 3529 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,2,0,0,0,0|0,0,2]=4 3530 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [0,2,0,0,0,0|0,1,1]=4 3531 B9R0.35 CCCC(=O)N(C)CC#N 11a_100000748184_100000211992 [0,2,0,0,0,0|2,0,0]=4 3532 B9R0.35 CCCC(=O)N(C)CC#N 1626a_100000748184_100000211992 [0,2,0,0,0,0|2,0,0]=4 3533 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3536 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [0,2,0,0,0,0|2,0,0]=4 3537 B9R0.35 CCCC(=O)N(C)CCO 240690a_100000210263_100000211992 [0,2,0,0,0,0|1,0,1]=4 3538 B9R0.35 CCCC(=O)N(C)CCO 527a_100000210263_100000211992 [0,2,0,0,0,0|1,0,1]=4 3539 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,2,0,0,0,0|0,0,2]=4 3540 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100000210906_100011214920 [0,2,0,0,0,0|1,0,1]=4 3541 B9R0.35 CCCC(C)C(=O)CC#N 1458a_100051588842_100000766640 [0,2,0,0,0,0|1,0,1]=4 3542 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [0,2,0,0,0,0|1,0,1]=4 3543 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [0,2,0,0,0,0|1,0,1]=4 3544 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [0,2,0,0,0,0|1,0,1]=4 3545 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,2,0,0,0,0|1,0,1]=4 3546 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [0,2,0,0,0,0|1,0,1]=4 3547 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [0,2,0,0,0,0|1,0,1]=4 3548 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [0,2,0,0,0,0|1,0,1]=4 3549 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [0,2,0,0,0,0|1,0,1]=4 3550 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [0,2,0,0,0,0|1,0,1]=4 3551 B9R0.35 CCCN(C)C(=O)CC#N 1626a_100000747261_100051588842 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.35 CCCN(C)C(=O)CC#N 240690a_100000747261_100051588842 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.35 CCCN(C)C(=O)CCO 240690a_100000747261_100011216618 [0,2,0,0,0,0|2,0,0]=4 3554 B9R0.35 CCCN(C)C(=O)COC 11a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.35 CCCN(C)C(=O)COC 1626a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.35 CCCN(C)C(=O)COC 240690a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.35 CCCN(C)C(=O)COC 527a_100000747261_100000210968 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.35 CCCN(C)C(=O)CSC 11a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.35 CCCN(C)C(=O)CSC 1626a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.35 CCCN(C)C(=O)CSC 240690a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.35 CCCN(C)C(=O)CSC 527a_100000747261_100000184570 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.35 CCC[C@H](O)C(=O)CC#N 1458a_100009822183_100011214920 [0,2,0,0,0,0|0,0,2]=4 3565 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,2,0,0,0,0|0,0,2]=4 3566 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,2,0,0,0,0|0,0,2]=4 3567 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,2,0,0,0,0|0,0,2]=4 3568 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [0,2,0,0,0,0|0,0,2]=4 3569 B9R0.35 CCNC(=O)/C(=N/OC)/C 11a_100015525214_100160996864 [0,2,0,0,0,0|1,0,1]=4 3570 B9R0.35 CCNC(=O)/C(=N/OC)/C 240690a_100015525214_100160996864 [0,2,0,0,0,0|1,0,1]=4 3571 B9R0.35 CCNC(=O)C(=O)CC#N 1458a_200011297158_100011214920 [0,2,0,0,0,0|1,0,0]=3 3572 B9R0.35 CCNC(=O)C(=O)CCF 1458a_200011297158_100011217306 [0,2,0,0,0,0|1,0,0]=3 3573 B9R0.35 CCNC(=O)C(=O)CCO 1458a_200011297158_100000211926 [0,2,0,0,0,0|1,0,0]=3 3574 B9R0.35 CCNC(=O)C(=O)NCC 240690a_100015525214_200011297158 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.35 CCNC(=O)C(=O)NCC 527a_100015525214_200011297158 [0,2,0,0,0,0|1,0,0]=3 3576 B9R0.35 CCNC(=O)C(=O)NNC 22a_100016993582_200011297158 [0,2,0,0,0,0|1,0,0]=3 3577 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [0,2,0,0,0,0|1,0,0]=3 3578 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [0,2,0,0,0,0|1,0,0]=3 3579 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3580 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [0,2,0,0,0,0|1,0,0]=3 3581 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [0,2,0,0,0,0|1,0,0]=3 3582 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [0,2,0,0,0,0|1,0,0]=3 3583 B9R0.35 CO/N=C(\C)/C(=O)CCF 1458a_100160996864_100011217306 [0,2,0,0,0,0|1,0,1]=4 3584 B9R0.35 CO/N=C(\C)/C(=O)CCO 1458a_100160996864_100000211926 [0,2,0,0,0,0|1,0,1]=4 3585 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,2,0,0,0,0|1,0,1]=4 3586 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,2,0,0,0,0|1,0,1]=4 3587 B9R0.37 CCCC(=O)C(CC)OC 1458a_100000747056_100000210303 [0,2,0,0,0,0|0,0,2]=4 3588 B9R0.37 CCCC(=O)C(OC)OC 1458a_100000046285_100000210303 [0,2,0,0,0,0|0,0,2]=4 3589 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3591 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3592 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,2,0,0,0,0|2,0,0]=4 3593 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,2,0,0,0,0|1,0,1]=4 3594 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,2,0,0,0,0|1,0,1]=4 3595 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,2,0,0,0,0|1,0,1]=4 3596 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,2,0,0,0,0|1,0,1]=4 3597 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|1,0,1]=4 3598 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,2,0,0,0,0|1,0,1]=4 3599 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|1,0,1]=4 3600 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|1,0,1]=4 3601 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|1,0,1]=4 3602 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|1,0,1]=4 3603 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [0,2,0,0,0,0|1,0,1]=4 3604 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,2,0,0,0,0|1,0,1]=4 3605 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [0,2,0,0,0,0|1,0,1]=4 3606 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,2,0,0,0,0|1,0,1]=4 3607 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,2,0,0,0,0|0,0,2]=4 3608 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,2,0,0,0,0|0,0,2]=4 3609 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,2,0,0,0,0|1,0,1]=4 3610 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,2,0,0,0,0|1,0,1]=4 3611 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,2,0,0,0,0|0,0,2]=4 3612 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [0,2,0,0,0,0|1,0,1]=4 3613 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [0,2,0,0,0,0|1,0,1]=4 3614 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [0,2,0,0,0,0|1,0,1]=4 3615 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [0,2,0,0,0,0|1,0,1]=4 3616 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [0,2,0,0,0,0|1,0,1]=4 3617 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [0,2,0,0,0,0|1,0,1]=4 3618 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [0,2,0,0,0,0|1,0,1]=4 3619 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [0,2,0,0,0,0|1,0,1]=4 3620 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [0,2,0,0,0,0|0,0,2]=4 3621 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [0,2,0,0,0,0|1,0,1]=4 3622 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [0,2,0,0,0,0|1,0,1]=4 3623 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [0,2,0,0,0,0|1,0,1]=4 3624 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [0,2,0,0,0,0|1,0,1]=4 3625 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [0,2,0,0,0,0|1,0,1]=4 3626 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [0,2,0,0,0,0|1,0,1]=4 3627 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [0,2,0,0,0,0|1,0,1]=4 3628 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [0,2,0,0,0,0|1,0,1]=4 3629 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [0,2,0,0,0,0|1,0,1]=4 3630 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [0,2,0,0,0,0|1,0,1]=4 3631 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [0,2,0,0,0,0|1,0,1]=4 3632 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,2,0,0,0,0|0,0,2]=4 3633 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,2,0,0,0,0|1,0,1]=4 3634 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,2,0,0,0,0|1,0,1]=4 3635 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,2,0,0,0,0|0,0,2]=4 3636 B9R0.7 C=C(Br)C(=O)NCC(C)C 11a_100000210953_100009813364 [0,2,0,0,0,0|1,0,1]=4 3637 B9R0.7 C=C(Br)C(=O)NCC(C)C 1626a_100000210953_100009813364 [0,2,0,0,0,0|1,0,1]=4 3638 B9R0.7 C=C(Br)C(=O)NCC(C)O 11a_100000210904_100009813364 [0,2,0,0,0,0|1,0,1]=4 3639 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,2,0,0,0,0|1,0,1]=4 3640 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,2,0,0,0,0|1,0,0]=3 3641 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,2,0,0,0,0|1,0,0]=3 3642 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,2,0,0,0,0|1,0,1]=4 3643 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,2,0,0,0,0|1,0,1]=4 3644 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,2,0,0,0,0|1,0,0]=3 3645 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,2,0,0,0,0|1,0,0]=3 3646 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,2,0,0,0,0|1,0,0]=3 3647 B9R0.7 C=C(C)C(=O)NCC(F)F 11a_100000765723_100000185857 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.7 C=C(C)C(=O)NCC(F)F 1626a_100000765723_100000185857 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.7 C=C(C)C(=O)NNC(C)C 22a_100000741168_100000185857 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,2,0,0,0,0|1,0,0]=3 3651 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,2,0,0,0,0|1,0,1]=4 3652 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,2,0,0,0,0|1,0,1]=4 3653 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,2,0,0,0,0|1,0,1]=4 3654 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,2,0,0,0,0|0,0,2]=4 3659 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,2,0,0,0,0|0,0,2]=4 3660 B9R0.7 C=C(C)CNC(=O)C(=C)C 11a_100000765925_100000185857 [0,2,0,0,0,0|1,0,1]=4 3661 B9R0.7 C=C(C)CNC(=O)C(=C)C 1626a_100000765925_100000185857 [0,2,0,0,0,0|1,0,1]=4 3662 B9R0.7 C=C(C)CNC(=O)C(=O)N 240690a_100000765925_100011215815 [0,2,0,0,0,0|1,0,1]=4 3663 B9R0.7 C=C(Cl)C(=O)NCC(C)C 11a_100000210953_100000039160 [0,2,0,0,0,0|1,0,1]=4 3664 B9R0.7 C=C(Cl)C(=O)NCC(C)C 1626a_100000210953_100000039160 [0,2,0,0,0,0|1,0,1]=4 3665 B9R0.7 C=C(Cl)C(=O)NCC(C)O 11a_100000210904_100000039160 [0,2,0,0,0,0|1,0,1]=4 3666 B9R0.7 C=C(F)C(=O)NCC(C)C 11a_100000210953_100000036797 [0,2,0,0,0,0|1,0,1]=4 3667 B9R0.7 C=C(F)C(=O)NCC(C)C 1626a_100000210953_100000036797 [0,2,0,0,0,0|1,0,1]=4 3668 B9R0.7 C=C(F)C(=O)NCC(C)O 11a_100000210904_100000036797 [0,2,0,0,0,0|1,0,1]=4 3669 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,2,0,0,0,0|0,0,0]=2 3670 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,2,0,0,0,0|0,0,0]=2 3671 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,2,0,0,0,0|0,0,0]=2 3672 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,2,0,0,0,0|0,0,0]=2 3673 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,2,0,0,0,0|0,0,0]=2 3674 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,2,0,0,0,0|1,0,1]=4 3675 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,2,0,0,0,0|1,0,1]=4 3676 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,2,0,0,0,0|1,0,1]=4 3677 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,2,0,0,0,0|1,0,1]=4 3678 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,2,0,0,0,0|1,0,1]=4 3679 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,2,0,0,0,0|1,0,1]=4 3680 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,2,0,0,0,0|1,0,1]=4 3681 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,2,0,0,0,0|1,0,1]=4 3682 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,2,0,0,0,0|1,0,1]=4 3683 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,2,0,0,0,0|1,0,1]=4 3684 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,2,0,0,0,0|1,0,1]=4 3685 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,2,0,0,0,0|1,0,1]=4 3686 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,2,0,0,0,0|1,0,1]=4 3687 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,2,0,0,0,0|1,0,1]=4 3688 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,2,0,0,0,0|2,0,0]=4 3691 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 3693 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,2,0,0,0,0|2,0,0]=4 3694 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,2,0,0,0,0|2,0,0]=4 3695 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,2,0,0,0,0|2,0,0]=4 3696 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,2,0,0,0,0|2,0,0]=4 3697 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,2,0,0,0,0|1,0,1]=4 3698 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,2,0,0,0,0|1,0,1]=4 3699 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,2,0,0,0,0|1,0,1]=4 3700 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,2,0,0,0,0|1,0,1]=4 3701 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 3702 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 3703 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 3704 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,2,0,0,0,0|2,0,0]=4 3705 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,2,0,0,0,0|0,0,2]=4 3706 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,2,0,0,0,0|0,0,2]=4 3707 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,2,0,0,0,0|1,0,0]=3 3708 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,2,0,0,0,0|0,0,0]=2 3709 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,2,0,0,0,0|1,0,1]=4 3710 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,2,0,0,0,0|1,0,1]=4 3711 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,2,0,0,0,0|1,0,1]=4 3712 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,2,0,0,0,0|1,0,1]=4 3713 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,2,0,0,0,0|1,0,1]=4 3714 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,2,0,0,0,0|1,0,1]=4 3715 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,2,0,0,0,0|1,0,1]=4 3716 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,2,0,0,0,0|1,0,1]=4 3717 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,2,0,0,0,0|2,0,0]=4 3718 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,2,0,0,0,0|0,0,2]=4 3719 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,2,0,0,0,0|0,0,2]=4 3720 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,2,0,0,0,0|0,0,2]=4 3721 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,2,0,0,0,0|1,0,1]=4 3722 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,2,0,0,0,0|1,0,1]=4 3723 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [0,2,0,0,0,0|2,0,0]=4 3725 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [0,2,0,0,0,0|2,0,0]=4 3726 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,2,0,0,0,0|2,0,0]=4 3727 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,2,0,0,0,0|1,0,1]=4 3728 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,2,0,0,0,0|1,0,1]=4 3729 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 3731 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 3732 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,2,0,0,0,0|2,0,0]=4 3733 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,2,0,0,0,0|2,0,0]=4 3734 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,2,0,0,0,0|1,0,1]=4 3735 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,2,0,0,0,0|1,0,1]=4 3736 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,2,0,0,0,0|1,0,1]=4 3737 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 3738 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 3739 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 3740 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,2,0,0,0,0|2,0,0]=4 3742 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,2,0,0,0,0|2,0,0]=4 3743 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,2,0,0,0,0|1,0,1]=4 3744 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,2,0,0,0,0|1,0,1]=4 3745 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,2,0,0,0,0|2,0,0]=4 3746 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,2,0,0,0,0|0,0,2]=4 3747 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,2,0,0,0,0|0,0,2]=4 3748 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,2,0,0,0,0|1,0,0]=3 3749 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,2,0,0,0,0|1,0,1]=4 3750 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,2,0,0,0,0|1,0,1]=4 3751 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,2,0,0,0,0|1,0,1]=4 3752 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,2,0,0,0,0|1,0,1]=4 3753 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,2,0,0,0,0|1,0,1]=4 3754 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,2,0,0,0,0|1,0,1]=4 3755 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,2,0,0,0,0|0,0,2]=4 3756 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,2,0,0,0,0|0,0,2]=4 3757 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,2,0,0,0,0|2,0,0]=4 3758 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 3759 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 3760 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,2,0,0,0,0|2,0,0]=4 3761 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 3762 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 3763 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 3764 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,2,0,0,0,0|2,0,0]=4 3765 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,2,0,0,0,0|2,0,0]=4 3766 B9R0.7 NC(=O)C(=O)NCC(F)F 240690a_100000765723_100011215815 [0,2,0,0,0,0|2,0,0]=4 3767 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,2,0,0,0,0|1,0,1]=4 3768 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,2,0,0,0,0|1,0,1]=4 3769 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,2,0,0,0,0|1,0,1]=4 3770 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 3771 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 3772 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,2,0,0,0,0|2,0,0]=4 3773 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,2,0,0,0,0|2,0,0]=4 3774 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 3775 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 3776 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,2,0,0,0,0|2,0,0]=4 3777 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,2,0,0,0,0|2,0,0]=4 3778 B9R0.42 C#CC(=O)CC(=O)C(=O)C 1458a_100000211873_100011261029 [0,2,0,0,0,0|0,0,2]=4 3779 B9R0.42 C#CC(C)NC(=O)C(=C)C 11a_100000707721_100000185857 [0,2,0,0,0,0|2,0,0]=4 3780 B9R0.42 C#CC(C)NC(=O)C(=C)C 1626a_100000707721_100000185857 [0,2,0,0,0,0|2,0,0]=4 3781 B9R0.42 C#CC(C)NC(=O)C(=O)N 240690a_100000707721_100011215815 [0,2,0,0,0,0|2,0,0]=4 3782 B9R0.42 C=C(Br)C(=O)NC(C)CC 11a_100000209981_100009813364 [0,2,0,0,0,0|1,0,1]=4 3783 B9R0.42 C=C(Br)C(=O)NC(C)CC 1626a_100000209981_100009813364 [0,2,0,0,0,0|1,0,1]=4 3784 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,2,0,0,0,0|1,0,0]=3 3785 B9R0.42 C=C(C)C(=O)CC(=O)NC 1458a_100000185857_100000183359 [0,2,0,0,0,0|1,0,1]=4 3786 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,2,0,0,0,0|1,0,1]=4 3787 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,2,0,0,0,0|1,0,0]=3 3788 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,2,0,0,0,0|1,0,0]=3 3789 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,2,0,0,0,0|1,0,0]=3 3790 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,2,0,0,0,0|1,0,0]=3 3791 B9R0.42 C=C(C)C(=O)NC(C)C#N 11a_100000737613_100000185857 [0,2,0,0,0,0|2,0,0]=4 3792 B9R0.42 C=C(C)C(=O)NC(C)C#N 1626a_100000737613_100000185857 [0,2,0,0,0,0|2,0,0]=4 3793 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,2,0,0,0,0|1,0,0]=3 3794 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,2,0,0,0,0|1,0,0]=3 3795 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000185857 [0,2,0,0,0,0|2,0,0]=4 3796 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000185857 [0,2,0,0,0,0|2,0,0]=4 3797 B9R0.42 C=C(Cl)C(=O)NC(C)CC 11a_100000209981_100000039160 [0,2,0,0,0,0|1,0,1]=4 3798 B9R0.42 C=C(Cl)C(=O)NC(C)CC 1626a_100000209981_100000039160 [0,2,0,0,0,0|1,0,1]=4 3799 B9R0.42 C=C(F)C(=O)NC(C)CC 11a_100000209981_100000036797 [0,2,0,0,0,0|1,0,1]=4 3800 B9R0.42 C=C(F)C(=O)NC(C)CC 1626a_100000209981_100000036797 [0,2,0,0,0,0|1,0,1]=4 3801 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,2,0,0,0,0|0,0,2]=4 3802 B9R0.42 C=CC(C)CC(=O)C(C)C 1458a_100011934298_100000210206 [0,2,0,0,0,0|1,0,1]=4 3803 B9R0.42 C=CC(C)CC(=O)N(C)C 11a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3804 B9R0.42 C=CC(C)CC(=O)N(C)C 1626a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3805 B9R0.42 C=CC(C)CC(=O)N(C)C 240690a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3806 B9R0.42 C=CC(C)CC(=O)N(C)C 527a_100102631434_100011934298 [0,2,0,0,0,0|2,0,0]=4 3807 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,2,0,0,0,0|0,0,1]=3 3808 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,2,0,0,0,0|2,0,0]=4 3809 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,2,0,0,0,0|2,0,0]=4 3810 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,2,0,0,0,0|1,0,1]=4 3811 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,2,0,0,0,0|1,0,1]=4 3812 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,2,0,0,0,0|0,0,0]=2 3813 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|1,0,1]=4 3814 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|1,0,1]=4 3815 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,2,0,0,0,0|1,0,1]=4 3816 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,2,0,0,0,0|2,0,0]=4 3817 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,2,0,0,0,0|0,0,2]=4 3818 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,2,0,0,0,0|0,0,2]=4 3819 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,2,0,0,0,0|2,0,0]=4 3820 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,2,0,0,0,0|1,0,1]=4 3821 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,2,0,0,0,0|1,0,1]=4 3822 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,2,0,0,0,0|1,0,1]=4 3823 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 3824 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 3825 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 3826 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,2,0,0,0,0|2,0,0]=4 3827 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,2,0,0,0,0|0,0,2]=4 3828 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,2,0,0,0,0|0,0,2]=4 3829 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3830 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3831 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,2,0,0,0,0|2,0,0]=4 3832 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,2,0,0,0,0|2,0,0]=4 3833 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|0,0,0]=2 3834 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,2,0,0,0,0|1,0,0]=3 3835 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|0,0,0]=2 3836 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,2,0,0,0,0|1,0,1]=4 3837 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,2,0,0,0,0|1,0,1]=4 3838 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,2,0,0,0,0|1,0,1]=4 3839 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,2,0,0,0,0|1,0,1]=4 3840 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,2,0,0,0,0|1,0,1]=4 3841 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,2,0,0,0,0|1,0,1]=4 3842 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,2,0,0,0,0|1,0,1]=4 3843 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,2,0,0,0,0|1,0,1]=4 3844 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,2,0,0,0,0|2,0,0]=4 3845 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,2,0,0,0,0|0,0,2]=4 3846 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,2,0,0,0,0|0,0,2]=4 3847 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,2,0,0,0,0|0,0,2]=4 3848 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,2,0,0,0,0|1,0,1]=4 3849 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,2,0,0,0,0|1,0,1]=4 3850 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,2,0,0,0,0|1,0,1]=4 3851 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,2,0,0,0,0|1,0,1]=4 3852 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,2,0,0,0,0|1,0,1]=4 3853 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,2,0,0,0,0|1,0,1]=4 3854 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,2,0,0,0,0|1,0,1]=4 3855 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,2,0,0,0,0|1,0,1]=4 3856 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [0,2,0,0,0,0|2,0,0]=4 3857 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [0,2,0,0,0,0|2,0,0]=4 3858 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,2,0,0,0,0|0,0,2]=4 3859 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,2,0,0,0,0|0,0,2]=4 3860 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,2,0,0,0,0|0,0,0]=2 3861 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [0,2,0,0,0,0|1,0,1]=4 3862 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [0,2,0,0,0,0|1,0,1]=4 3863 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [0,2,0,0,0,0|1,0,1]=4 3864 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000185065_100000210202 [0,2,0,0,0,0|2,0,0]=4 3865 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000225621_100000185267 [0,2,0,0,0,0|2,0,0]=4 3866 B9R0.42 CCN(C)CC(=O)N(C)C 240690a_100102631434_100116209913 [0,2,0,0,0,0|2,0,0]=4 3867 B9R0.42 CCN(C)CC(=O)N(C)C 269982a_100000225621_100000185267 [0,2,0,0,0,0|2,0,0]=4 3868 B9R0.42 CCN(C)CC(=O)N(C)C 527a_100102631434_100116209913 [0,2,0,0,0,0|2,0,0]=4 3869 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,2,0,0,0,0|1,0,1]=4 3870 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,2,0,0,0,0|1,0,1]=4 3871 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,2,0,0,0,0|1,0,1]=4 3872 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,2,0,0,0,0|1,0,1]=4 3873 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,2,0,0,0,0|0,0,2]=4 3874 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,2,0,0,0,0|0,0,2]=4 3875 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,2,0,0,0,0|0,0,2]=4 3876 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,2,0,0,0,0|0,0,2]=4 3877 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,2,0,0,0,0|2,0,0]=4 3878 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,2,0,0,0,0|2,0,0]=4 3879 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,2,0,0,0,0|1,0,0]=3 3880 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,2,0,0,0,0|1,0,1]=4 3881 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,2,0,0,0,0|1,0,1]=4 3882 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,2,0,0,0,0|1,0,1]=4 3883 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,2,0,0,0,0|2,0,0]=4 3884 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,2,0,0,0,0|2,0,0]=4 3885 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,2,0,0,0,0|2,0,0]=4 3886 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,2,0,0,0,0|2,0,0]=4 3887 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,2,0,0,0,0|0,0,2]=4 3888 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,2,0,0,0,0|0,0,2]=4 3889 B9R0.47 C#CCCNC(=O)C(=C)C 11a_100000755551_100000185857 [0,2,0,0,0,0|1,0,1]=4 3890 B9R0.47 C#CCCNC(=O)C(=C)C 1626a_100000755551_100000185857 [0,2,0,0,0,0|1,0,1]=4 3891 B9R0.47 C#CCCNC(=O)C(=O)N 240690a_100000755551_100011215815 [0,2,0,0,0,0|1,0,1]=4 3892 B9R0.47 C#CCNCC(=O)C(=O)C 34a_100000212058_100011261029 [0,2,0,0,0,0|0,0,1]=3 3893 B9R0.47 C#CCOCC(=O)C(=O)C 34a_100000210247_100011261029 [0,2,0,0,0,0|0,0,1]=3 3894 B9R0.47 C#CCSCC(=O)C(=O)C 62a_100000038162_100011261029 [0,2,0,0,0,0|0,0,1]=3 3895 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,2,0,0,0,0|1,0,1]=4 3896 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,2,0,0,0,0|1,0,1]=4 3897 B9R0.47 C=C(Br)C(=O)NCCCF 11a_100015189416_100009813364 [0,2,0,0,0,0|1,0,1]=4 3898 B9R0.47 C=C(Br)C(=O)NCCCF 1626a_100015189416_100009813364 [0,2,0,0,0,0|1,0,1]=4 3899 B9R0.47 C=C(Br)C(=O)NCCOC 1626a_100000209980_100009813364 [0,2,0,0,0,0|1,0,1]=4 3900 B9R0.47 C=C(Br)C(=O)NCCSC 11a_100020590264_100009813364 [0,2,0,0,0,0|1,0,1]=4 3901 B9R0.47 C=C(Br)C(=O)NCCSC 1626a_100020590264_100009813364 [0,2,0,0,0,0|1,0,1]=4 3902 B9R0.47 C=C(C)C(=NNCCC)C 4a_100000740057_100011216138 [0,2,0,0,0,0|2,0,0]=4 3903 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,2,0,0,0,0|1,0,0]=3 3904 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,2,0,0,0,0|1,0,0]=3 3905 B9R0.47 C=C(C)C(=O)CC#CCO 1458a_100000185857_200000047223 [0,2,0,0,0,0|1,0,1]=4 3906 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,2,0,0,0,0|1,0,0]=3 3907 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,2,0,0,0,0|1,0,0]=3 3908 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,2,0,0,0,0|1,0,0]=3 3909 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,2,0,0,0,0|1,0,0]=3 3910 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,2,0,0,0,0|1,0,0]=3 3911 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,2,0,0,0,0|1,0,0]=3 3912 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,2,0,0,0,0|1,0,0]=3 3913 B9R0.47 C=C(C)C(=O)NCC#CC 11a_100000685387_100000185857 [0,2,0,0,0,0|1,0,1]=4 3914 B9R0.47 C=C(C)C(=O)NCC#CC 1626a_100000685387_100000185857 [0,2,0,0,0,0|1,0,1]=4 3915 B9R0.47 C=C(C)C(=O)NCCC#N 11a_100000720768_100000185857 [0,2,0,0,0,0|1,0,1]=4 3916 B9R0.47 C=C(C)C(=O)NCCC#N 1626a_100000720768_100000185857 [0,2,0,0,0,0|1,0,1]=4 3917 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,2,0,0,0,0|1,0,0]=3 3918 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,2,0,0,0,0|1,0,0]=3 3919 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,2,0,0,0,0|1,0,0]=3 3920 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,2,0,0,0,0|1,0,0]=3 3921 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,2,0,0,0,0|1,0,0]=3 3922 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,2,0,0,0,0|1,0,0]=3 3923 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,2,0,0,0,0|1,0,0]=3 3924 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,2,0,0,0,0|1,0,0]=3 3925 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,2,0,0,0,0|1,0,0]=3 3926 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,2,0,0,0,0|1,0,0]=3 3927 B9R0.47 C=C(C)C(=O)NNCCO 22a_100000210001_100000185857 [0,2,0,0,0,0|2,0,0]=4 3928 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,2,0,0,0,0|1,0,0]=3 3929 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,2,0,0,0,0|1,0,0]=3 3930 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,2,0,0,0,0|1,0,0]=3 3931 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,2,0,0,0,0|1,0,0]=3 3932 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,2,0,0,0,0|1,0,0]=3 3933 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,2,0,0,0,0|1,0,0]=3 3934 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,2,0,0,0,0|1,0,0]=3 3935 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,2,0,0,0,0|1,0,0]=3 3936 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,2,0,0,0,0|1,0,1]=4 3937 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,2,0,0,0,0|1,0,1]=4 3938 B9R0.47 C=C(Cl)C(=O)NCCCF 11a_100015189416_100000039160 [0,2,0,0,0,0|1,0,1]=4 3939 B9R0.47 C=C(Cl)C(=O)NCCCF 1626a_100015189416_100000039160 [0,2,0,0,0,0|1,0,1]=4 3940 B9R0.47 C=C(Cl)C(=O)NCCOC 1626a_100000209980_100000039160 [0,2,0,0,0,0|1,0,1]=4 3941 B9R0.47 C=C(Cl)C(=O)NCCSC 11a_100020590264_100000039160 [0,2,0,0,0,0|1,0,1]=4 3942 B9R0.47 C=C(Cl)C(=O)NCCSC 1626a_100020590264_100000039160 [0,2,0,0,0,0|1,0,1]=4 3943 B9R0.47 C=C(Cl)C(=O)NNCCC 22a_100000740057_100000039160 [0,2,0,0,0,0|1,0,1]=4 3944 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,2,0,0,0,0|1,0,1]=4 3945 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,2,0,0,0,0|1,0,1]=4 3946 B9R0.47 C=C(F)C(=O)NCCCF 11a_100015189416_100000036797 [0,2,0,0,0,0|1,0,1]=4 3947 B9R0.47 C=C(F)C(=O)NCCCF 1626a_100015189416_100000036797 [0,2,0,0,0,0|1,0,1]=4 3948 B9R0.47 C=C(F)C(=O)NCCOC 1626a_100000209980_100000036797 [0,2,0,0,0,0|1,0,1]=4 3949 B9R0.47 C=C(F)C(=O)NCCSC 11a_100020590264_100000036797 [0,2,0,0,0,0|1,0,1]=4 3950 B9R0.47 C=C(F)C(=O)NCCSC 1626a_100020590264_100000036797 [0,2,0,0,0,0|1,0,1]=4 3951 B9R0.47 C=C(F)C(=O)NNCCC 22a_100000740057_100000036797 [0,2,0,0,0,0|1,0,1]=4 3952 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,2,0,0,0,0|1,0,0]=3 3953 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,2,0,0,0,0|1,0,1]=4 3954 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,2,0,0,0,0|1,0,1]=4 3955 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,2,0,0,0,0|1,0,1]=4 3956 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3957 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3958 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3959 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,2,0,0,0,0|2,0,0]=4 3960 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,2,0,0,0,0|0,0,2]=4 3961 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,2,0,0,0,0|0,0,2]=4 3962 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [0,2,0,0,0,0|1,0,1]=4 3963 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [0,2,0,0,0,0|1,0,1]=4 3964 B9R0.47 C=CCCNC(=O)C(=O)N 240690a_100015191253_100011215815 [0,2,0,0,0,0|1,0,1]=4 3965 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,2,0,0,0,0|0,0,1]=3 3966 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,2,0,0,0,0|0,0,1]=3 3967 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,2,0,0,0,0|0,0,1]=3 3968 B9R0.47 C=COCCC(=O)C(=C)C 1458a_100000185857_100000039644 [0,2,0,0,0,0|1,0,1]=4 3969 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,2,0,0,0,0|0,0,0]=2 3970 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,2,0,0,0,0|0,0,0]=2 3971 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,2,0,0,0,0|0,0,0]=2 3972 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,2,0,0,0,0|0,0,0]=2 3973 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011215382_100011261029 [0,2,0,0,0,0|0,0,1]=3 3974 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011261029_100011215382 [0,2,0,0,0,0|0,0,1]=3 3975 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,2,0,0,0,0|0,0,1]=3 3976 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,2,0,0,0,0|0,0,1]=3 3977 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,2,0,0,0,0|0,0,0]=2 3978 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,2,0,0,0,0|0,0,0]=2 3979 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,2,0,0,0,0|0,0,0]=2 3980 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,2,0,0,0,0|0,0,0]=2 3981 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,2,0,0,0,0|1,0,1]=4 3982 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,2,0,0,0,0|1,0,1]=4 3983 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,2,0,0,0,0|1,0,1]=4 3984 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,2,0,0,0,0|1,0,1]=4 3985 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,2,0,0,0,0|1,0,1]=4 3986 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,2,0,0,0,0|1,0,1]=4 3987 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,2,0,0,0,0|1,0,1]=4 3988 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,2,0,0,0,0|1,0,1]=4 3989 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,2,0,0,0,0|1,0,1]=4 3990 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,2,0,0,0,0|1,0,1]=4 3991 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,2,0,0,0,0|1,0,1]=4 3992 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,2,0,0,0,0|2,0,0]=4 3993 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,2,0,0,0,0|1,0,1]=4 3994 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,2,0,0,0,0|1,0,1]=4 3995 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,2,0,0,0,0|1,0,1]=4 3996 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,2,0,0,0,0|1,0,1]=4 3997 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,2,0,0,0,0|1,0,1]=4 3998 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,2,0,0,0,0|1,0,1]=4 3999 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,2,0,0,0,0|1,0,1]=4 4000 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,2,0,0,0,0|1,0,1]=4 4001 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,2,0,0,0,0|1,0,1]=4 4002 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,2,0,0,0,0|1,0,1]=4 4003 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,2,0,0,0,0|1,0,1]=4 4004 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,2,0,0,0,0|1,0,1]=4 4005 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,2,0,0,0,0|1,0,1]=4 4006 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,2,0,0,0,0|1,0,1]=4 4007 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,2,0,0,0,0|1,0,1]=4 4008 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,2,0,0,0,0|1,0,1]=4 4009 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,2,0,0,0,0|1,0,1]=4 4010 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,2,0,0,0,0|1,0,1]=4 4011 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,2,0,0,0,0|1,0,1]=4 4012 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,2,0,0,0,0|1,0,1]=4 4013 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,2,0,0,0,0|1,0,1]=4 4014 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,2,0,0,0,0|1,0,1]=4 4015 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,2,0,0,0,0|1,0,1]=4 4016 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,2,0,0,0,0|1,0,1]=4 4017 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,2,0,0,0,0|1,0,1]=4 4018 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,2,0,0,0,0|1,0,1]=4 4019 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,2,0,0,0,0|1,0,1]=4 4020 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,2,0,0,0,0|1,0,1]=4 4021 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,2,0,0,0,0|1,0,1]=4 4022 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,2,0,0,0,0|1,0,1]=4 4023 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,2,0,0,0,0|1,0,1]=4 4024 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,2,0,0,0,0|1,0,1]=4 4025 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,2,0,0,0,0|1,0,1]=4 4026 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,2,0,0,0,0|2,0,0]=4 4027 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,2,0,0,0,0|2,0,0]=4 4028 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,2,0,0,0,0|2,0,0]=4 4029 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,2,0,0,0,0|2,0,0]=4 4030 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,2,0,0,0,0|1,0,1]=4 4031 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,2,0,0,0,0|1,0,1]=4 4032 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,2,0,0,0,0|0,0,2]=4 4033 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,2,0,0,0,0|0,0,2]=4 4034 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,2,0,0,0,0|1,0,1]=4 4035 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,2,0,0,0,0|1,0,1]=4 4036 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,2,0,0,0,0|0,0,2]=4 4037 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,2,0,0,0,0|0,0,2]=4 4038 B9R0.47 CCC=NNC(=O)C(=O)N 4a_100000211141_100000210100 [0,2,0,0,0,0|1,0,1]=4 4039 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,2,0,0,0,0|1,0,1]=4 4040 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,2,0,0,0,0|2,0,0]=4 4041 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,2,0,0,0,0|1,0,1]=4 4042 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,2,0,0,0,0|2,0,0]=4 4043 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,2,0,0,0,0|2,0,0]=4 4044 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,2,0,0,0,0|2,0,0]=4 4045 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,2,0,0,0,0|1,0,1]=4 4046 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,2,0,0,0,0|1,0,1]=4 4047 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,2,0,0,0,0|1,0,1]=4 4048 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 4049 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 4050 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 4051 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,2,0,0,0,0|2,0,0]=4 4052 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,2,0,0,0,0|0,0,2]=4 4053 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,2,0,0,0,0|0,0,2]=4 4054 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,2,0,0,0,0|1,0,1]=4 4055 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,2,0,0,0,0|1,0,1]=4 4056 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,2,0,0,0,0|1,0,1]=4 4057 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 4058 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 4059 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,2,0,0,0,0|2,0,0]=4 4060 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,2,0,0,0,0|2,0,0]=4 4061 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,2,0,0,0,0|1,0,0]=3 4062 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,2,0,0,0,0|1,0,1]=4 4063 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,2,0,0,0,0|1,0,1]=4 4064 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,2,0,0,0,0|1,0,1]=4 4065 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,2,0,0,0,0|1,0,1]=4 4066 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,2,0,0,0,0|1,0,1]=4 4067 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,2,0,0,0,0|1,0,1]=4 4068 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,2,0,0,0,0|1,0,1]=4 4069 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,2,0,0,0,0|1,0,1]=4 4070 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,2,0,0,0,0|2,0,0]=4 4071 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,2,0,0,0,0|0,0,2]=4 4072 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,2,0,0,0,0|0,0,2]=4 4073 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,2,0,0,0,0|0,0,2]=4 4074 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,2,0,0,0,0|1,0,1]=4 4075 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,2,0,0,0,0|1,0,1]=4 4076 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,2,0,0,0,0|1,0,1]=4 4077 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,2,0,0,0,0|1,0,1]=4 4078 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,2,0,0,0,0|1,0,1]=4 4079 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,2,0,0,0,0|1,0,1]=4 4080 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,2,0,0,0,0|1,0,1]=4 4081 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,2,0,0,0,0|1,0,1]=4 4082 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,2,0,0,0,0|2,0,0]=4 4083 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,2,0,0,0,0|1,0,0]=3 4084 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,2,0,0,0,0|1,0,1]=4 4085 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,2,0,0,0,0|1,0,1]=4 4086 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,2,0,0,0,0|0,0,2]=4 4087 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,2,0,0,0,0|0,0,2]=4 4088 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,2,0,0,0,0|0,0,0]=2 4089 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,2,0,0,0,0|1,0,1]=4 4090 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,2,0,0,0,0|1,0,1]=4 4091 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 4092 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 4093 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 4094 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,2,0,0,0,0|2,0,0]=4 4095 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,2,0,0,0,0|2,0,0]=4 4096 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,2,0,0,0,0|1,0,1]=4 4097 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,2,0,0,0,0|1,0,1]=4 4098 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,2,0,0,0,0|0,0,0]=2 4099 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,2,0,0,0,0|0,0,0]=2 4100 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,2,0,0,0,0|1,0,1]=4 4101 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,2,0,0,0,0|1,0,1]=4 4102 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,2,0,0,0,0|1,0,1]=4 4103 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 4104 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 4105 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 4106 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,2,0,0,0,0|2,0,0]=4 4107 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,2,0,0,0,0|2,0,0]=4 4108 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,2,0,0,0,0|2,0,0]=4 4109 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,2,0,0,0,0|2,0,0]=4 4110 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,2,0,0,0,0|2,0,0]=4 4111 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|1,0,1]=4 4112 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|1,0,1]=4 4113 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,2,0,0,0,0|1,0,1]=4 4114 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 4115 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 4116 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 4117 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,2,0,0,0,0|2,0,0]=4 4118 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,2,0,0,0,0|2,0,0]=4 4119 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,2,0,0,0,0|0,0,2]=4 4120 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,2,0,0,0,0|0,0,2]=4 4121 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,2,0,0,0,0|1,0,1]=4 4122 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,2,0,0,0,0|1,0,1]=4 4123 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,2,0,0,0,0|1,0,1]=4 4124 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,2,0,0,0,0|1,0,1]=4 4125 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,2,0,0,0,0|1,0,1]=4 4126 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,2,0,0,0,0|2,0,0]=4 4127 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,2,0,0,0,0|2,0,0]=4 4128 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,2,0,0,0,0|2,0,0]=4 4129 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,2,0,0,0,0|2,0,0]=4 4130 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,2,0,0,0,0|2,0,0]=4 4131 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,2,0,0,0,0|2,0,0]=4 4132 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,2,0,0,0,0|0,0,2]=4 4133 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,2,0,0,0,0|0,0,2]=4 4134 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,2,0,0,0,0|1,0,1]=4 4135 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,2,0,0,0,0|1,0,1]=4 4136 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,2,0,0,0,0|2,0,0]=4 4137 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,2,0,0,0,0|2,0,0]=4 4138 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,2,0,0,0,0|2,0,0]=4 4139 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,2,0,0,0,0|2,0,0]=4 4140 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,2,0,0,0,0|2,0,0]=4 4141 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,2,0,0,0,0|2,0,0]=4 4142 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,2,0,0,0,0|2,0,0]=4 4143 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,2,0,0,0,0|2,0,0]=4 4144 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,2,0,0,0,0|2,0,0]=4 4145 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,2,0,0,0,0|2,0,0]=4 4146 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,2,0,0,0,0|2,0,0]=4 4147 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,2,0,0,0,0|2,0,0]=4 4148 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,2,0,0,0,0|2,0,0]=4 4149 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,2,0,0,0,0|2,0,0]=4 4150 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,2,0,0,0,0|2,0,0]=4 4151 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,2,0,0,0,0|2,0,0]=4 4152 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 4153 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,2,0,0,0,0|2,0,0]=4 4154 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 4155 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,2,0,0,0,0|2,0,0]=4 4156 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,2,0,0,0,0|2,0,0]=4 4157 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,2,0,0,0,0|2,0,0]=4 4158 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,2,0,0,0,0|2,0,0]=4 4159 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,2,0,0,0,0|2,0,0]=4 4160 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,2,0,0,0,0|2,0,0]=4 4161 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,2,0,0,0,0|2,0,0]=4 4162 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,2,0,0,0,0|2,0,0]=4 4163 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,2,0,0,0,0|2,0,0]=4 4164 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,2,0,0,0,0|1,0,1]=4 4165 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,2,0,0,0,0|1,0,1]=4 4166 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,2,0,0,0,0|1,0,1]=4 4167 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,2,0,0,0,0|1,0,1]=4 4168 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,2,0,0,0,0|1,0,1]=4 4169 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,2,0,0,0,0|2,0,0]=4 4170 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,2,0,0,0,0|2,0,0]=4 4171 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,2,0,0,0,0|2,0,0]=4 4172 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,2,0,0,0,0|2,0,0]=4 4173 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,2,0,0,0,0|0,0,2]=4 4174 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,2,0,0,0,0|0,0,2]=4 4175 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 4176 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 4177 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,2,0,0,0,0|2,0,0]=4 4178 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,2,0,0,0,0|2,0,0]=4 4179 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,2,0,0,0,0|1,0,0]=3 4180 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,2,0,0,0,0|1,0,1]=4 4181 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,2,0,0,0,0|1,0,1]=4 4182 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,2,0,0,0,0|1,0,1]=4 4183 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,2,0,0,0,0|1,0,1]=4 4184 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,2,0,0,0,0|1,0,1]=4 4185 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,2,0,0,0,0|1,0,1]=4 4186 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,2,0,0,0,0|0,0,2]=4 4187 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,2,0,0,0,0|0,0,2]=4 4188 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,2,0,0,0,0|0,0,2]=4 4189 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,2,0,0,0,0|1,0,1]=4 4190 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,2,0,0,0,0|1,0,1]=4 4191 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,2,0,0,0,0|1,0,1]=4 4192 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,2,0,0,0,0|1,0,1]=4 4193 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,2,0,0,0,0|2,0,0]=4 4194 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,2,0,0,0,0|0,0,0]=2 4195 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,2,0,0,0,0|0,0,0]=2 4196 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,2,0,0,0,0|1,0,1]=4 4197 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,2,0,0,0,0|1,0,1]=4 4198 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,2,0,0,0,0|2,0,0]=4 4199 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,2,0,0,0,0|2,0,0]=4 4200 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,2,0,0,0,0|1,0,1]=4 4201 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,2,0,0,0,0|2,0,0]=4 4202 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,2,0,0,0,0|2,0,0]=4 4203 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,2,0,0,0,0|2,0,0]=4 4204 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,2,0,0,0,0|2,0,0]=4 4205 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,2,0,0,0,0|2,0,0]=4 4206 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,2,0,0,0,0|2,0,0]=4 4207 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,2,0,0,0,0|1,0,0]=3 4208 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,2,0,0,0,0|1,0,1]=4 4209 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,2,0,0,0,0|1,0,1]=4 4210 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,2,0,0,0,0|1,0,1]=4 4211 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,2,0,0,0,0|1,0,1]=4 4212 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,2,0,0,0,0|1,0,1]=4 4213 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,2,0,0,0,0|1,0,1]=4 4214 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,2,0,0,0,0|1,0,1]=4 4215 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,2,0,0,0,0|1,0,1]=4 4216 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,2,0,0,0,0|2,0,0]=4 4217 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,2,0,0,0,0|0,0,2]=4 4218 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,2,0,0,0,0|0,0,2]=4 4219 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,2,0,0,0,0|0,0,2]=4 4220 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,2,0,0,0,0|1,0,1]=4 4221 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,2,0,0,0,0|1,0,1]=4 4222 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,2,0,0,0,0|1,0,1]=4 4223 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,2,0,0,0,0|1,0,1]=4 4224 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,2,0,0,0,0|1,0,1]=4 4225 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,2,0,0,0,0|2,0,0]=4 4226 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,2,0,0,0,0|1,0,1]=4 4227 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,2,0,0,0,0|0,0,0]=2 4228 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,2,0,0,0,0|0,0,0]=2 4229 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,2,0,0,0,0|1,0,1]=4 4230 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,2,0,0,0,0|1,0,1]=4 4231 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,2,0,0,0,0|2,0,0]=4 4232 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,2,0,0,0,0|2,0,0]=4 4233 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,2,0,0,0,0|0,0,2]=4 4234 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,2,0,0,0,0|0,0,2]=4 4235 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,2,0,0,0,0|0,0,2]=4 4236 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,2,0,0,0,0|0,0,2]=4 4237 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,2,0,0,0,0|0,0,2]=4 4238 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,2,0,0,0,0|0,0,2]=4 4239 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,2,0,0,0,0|0,0,2]=4 4240 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,2,0,0,0,0|0,0,2]=4 4241 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,2,0,0,0,0|0,0,2]=4 4242 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,2,0,0,0,0|0,0,2]=4 4243 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,2,0,0,0,0|0,0,2]=4 4244 B9R0.47 N#CCCNC(=O)C(=O)N 240690a_100000720768_100011215815 [0,2,0,0,0,0|1,0,1]=4 4245 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,2,0,0,0,0|1,0,0]=3 4246 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,2,0,0,0,0|1,0,0]=3 4247 B9R0.47 NC(=O)C(=O)NNCCO 22a_100000210001_100011215815 [0,2,0,0,0,0|2,0,0]=4 4248 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,2,0,0,0,0|1,0,1]=4 4249 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,2,0,0,0,0|1,0,1]=4 4250 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,2,0,0,0,0|0,0,2]=4 4251 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,2,0,0,0,0|0,0,2]=4 4252 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,2,0,0,0,0|1,0,1]=4 4253 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,2,0,0,0,0|1,0,1]=4 4254 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,2,0,0,0,0|1,0,1]=4 4255 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,2,0,0,0,0|1,0,1]=4 4256 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,2,0,0,0,0|1,0,1]=4 4257 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,2,0,0,0,0|1,0,1]=4 4258 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [0,2,0,0,0,0|0,0,2]=4 4259 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [0,2,0,0,0,0|0,0,2]=4 4260 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,2,0,0,0,0|1,0,1]=4 4261 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,2,0,0,0,0|1,0,1]=4 4262 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,2,0,0,0,0|1,0,1]=4 4263 B9R0.10 CC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000210624 [0,2,0,0,0,0|1,0,1]=4 4264 B9R0.10 CC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000210624 [0,2,0,0,0,0|1,0,1]=4 4265 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,2,0,0,0,0|0,0,2]=4 4266 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [0,2,0,0,0,0|1,0,1]=4 4267 B9R0.10 CC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218427 [0,2,0,0,0,0|1,0,1]=4 4268 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [0,2,0,0,0,0|0,0,2]=4 4269 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,2,0,0,0,0|1,0,1]=4 4270 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,2,0,0,0,0|1,0,1]=4 4271 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,2,0,0,0,0|1,0,1]=4 4272 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 4273 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 4274 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,2,0,0,0,0|2,0,0]=4 4275 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,2,0,0,0,0|2,0,0]=4 4276 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,2,0,0,0,0|1,0,1]=4 4277 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,2,0,0,0,0|2,0,0]=4 4278 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,2,0,0,0,0|2,0,0]=4 4279 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,2,0,0,0,0|2,0,0]=4 4280 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,2,0,0,0,0|2,0,0]=4 4281 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,2,0,0,0,0|1,0,1]=4 4282 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,2,0,0,0,0|1,0,1]=4 4283 B9R0.39 CC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_200000210301 [0,2,0,0,0,0|1,0,1]=4 4284 B9R0.39 CC(C)/C=C(\C#N)/C(=O)[13CH3] 1458a_200042966509_200025704644 [0,2,0,0,0,0|1,0,1]=4 4285 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 4286 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 4287 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,2,0,0,0,0|2,0,0]=4 4288 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,2,0,0,0,0|2,0,0]=4 4289 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [0,2,0,0,0,0|2,0,0]=4 4290 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [0,2,0,0,0,0|2,0,0]=4 4291 B9R0.57 C=C(C)C(=O)C[Si](C)(C)C 1458a_100000185857_100000233785 [0,2,0,0,0,0|1,1,0]=4 4292 B9R0.57 C=C(C)C(=O)NC(C)(C)C 11a_100000715429_100000185857 [0,2,0,0,0,0|2,0,0]=4 4293 B9R0.57 C=C(C)C(=O)NC(C)(C)C 1626a_100000715429_100000185857 [0,2,0,0,0,0|2,0,0]=4 4294 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,2,0,0,0,0|1,0,0]=3 4295 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 4296 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 4297 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [0,2,0,0,0,0|2,0,0]=4 4298 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [0,2,0,0,0,0|2,0,0]=4 4299 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [0,2,0,0,0,0|2,0,0]=4 4300 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [0,2,0,0,0,0|2,0,0]=4 4301 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [0,2,0,0,0,0|2,0,0]=4 4302 B9R0.57 CC(C)(C)NC(=O)C(=O)N 240690a_100000715429_100011215815 [0,2,0,0,0,0|2,0,0]=4 4303 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,2,0,0,0,0|1,0,0]=3 4304 B9R0.57 CC(C)C(=O)CC(C)(C)C 1458a_100000211214_100000210206 [0,2,0,0,0,0|1,0,1]=4 4305 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,2,0,0,0,0|1,0,1]=4 4306 B9R0.57 CN(C)C(=O)CC(C)(C)C 11a_100102631434_100000211214 [0,2,0,0,0,0|2,0,0]=4 4307 B9R0.57 CN(C)C(=O)CC(C)(C)C 1626a_100102631434_100000211214 [0,2,0,0,0,0|2,0,0]=4 4308 B9R0.57 CN(C)C(=O)CC(C)(C)C 240690a_100102631434_100000211214 [0,2,0,0,0,0|2,0,0]=4 4309 B9R0.57 CN(C)C(=O)CC(C)(C)C 527a_100102631434_100000211214 [0,2,0,0,0,0|2,0,0]=4 4310 B9R0.57 CN(C)C(=O)CC(C)(C)O 527a_100102631434_100000693243 [0,2,0,0,0,0|2,0,0]=4 4311 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 4312 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 4313 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|1,0,1]=4 4314 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|1,0,1]=4 4315 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|1,0,1]=4 4316 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|1,0,1]=4 4317 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|1,0,1]=4 4318 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|1,0,1]=4 4319 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|1,0,1]=4 4320 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|0,0,1]=3 4321 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,0,1]=4 4322 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|1,0,0]=3 4323 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 4324 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 4325 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|1,0,0]=3 4326 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [1,0,0,1,0,0|2,0,0]=4 4327 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 4328 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 4329 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [1,0,0,1,0,0|2,0,0]=4 4330 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|1,0,1]=4 4331 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,1]=4 4332 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,1]=4 4333 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,1]=4 4334 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,1]=4 4335 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|0,0,2]=4 4336 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 4337 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 4338 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 4339 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,1]=4 4340 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|0,0,2]=4 4341 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|1,0,1]=4 4342 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|1,0,1]=4 4343 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|0,0,2]=4 4344 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|1,0,1]=4 4345 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|1,0,1]=4 4346 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|0,0,2]=4 4347 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|0,0,1]=3 4348 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|0,0,1]=3 4349 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,1]=4 4350 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|1,0,1]=4 4351 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,1]=4 4352 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 4353 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|1,0,0]=3 4354 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|1,0,0]=3 4355 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|0,0,1]=3 4356 B9R1.7 CCCc1nc(no1)C 270196a_100000212224_100000211992 [0,0,0,1,0,1|1,0,1]=4 4357 B9R1.7 CCCc1noc(n1)C 270196a_100011193412_100000070787 [0,0,0,1,0,1|1,0,1]=4 4358 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,1|1,0,0]=3 4359 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,1|1,0,0]=3 4360 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,1|1,0,1]=4 4361 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,1|1,0,1]=4 4362 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,1|0,0,2]=4 4363 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,1|2,0,0]=4 4364 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,1|1,0,1]=4 4365 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,1|1,0,1]=4 4366 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,1|1,0,1]=4 4367 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,1|1,0,1]=4 4368 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,1|1,0,0]=3 4369 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,1|1,0,0]=3 4370 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,1|1,0,1]=4 4371 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,1|2,0,0]=4 4372 B9R1.22 CNC1CC(=O)NC1=O 2230a_100102712934_200000210301 [0,0,0,1,0,1|1,0,0]=3 4373 B9R1.22 [13CH3]NC1CC(=O)NC1=O 2230a_100102712934_200025704644 [0,0,0,1,0,1|1,0,0]=3 4374 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,1|0,0,0]=2 4375 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,1|1,0,1]=4 4376 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,1|1,0,0]=3 4377 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,1|1,0,1]=4 4378 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,1|1,0,1]=4 4379 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,1|1,0,1]=4 4380 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,1|1,0,1]=4 4381 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,1|1,0,1]=4 4382 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,1|2,0,0]=4 4383 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,1|1,0,1]=4 4384 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,0,0,1,0,1|2,0,0]=4 4385 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,0,0,1,0,1|2,0,0]=4 4386 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,1|2,0,0]=4 4387 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,0,1,0,1|1,0,1]=4 4388 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,0,1,0,1|1,0,1]=4 4389 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [0,0,0,1,0,1|0,0,2]=4 4390 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [0,0,0,1,0,1|0,1,1]=4 4391 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [0,0,0,1,0,1|0,0,2]=4 4392 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [0,0,0,1,0,1|1,0,1]=4 4393 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [0,0,0,1,0,1|1,0,1]=4 4394 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [0,0,0,1,0,1|1,0,1]=4 4395 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,0,1,0,1|1,0,0]=3 4396 B9R1.137 C=C(C)CC(=O)C1CO1 1458a_100000701028_100000748629 [0,0,0,1,0,1|2,0,0]=4 4397 B9R1.137 C=C(F)CC(=O)C1CC1 1458a_100000210395_100009893438 [0,0,0,1,0,1|1,0,1]=4 4398 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,0,0,1,0,1|1,0,0]=3 4399 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,0,0,1,0,1|1,0,0]=3 4400 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,0,1,0,1|0,0,0]=2 4401 B9R1.137 CC(=O)NC(C)C1CC1 11a_100000700016_100015343762 [0,0,0,1,0,1|1,0,1]=4 4402 B9R1.137 CC(=O)NC(C)C1CC1 1626a_100000700016_100015343762 [0,0,0,1,0,1|1,0,1]=4 4403 B9R1.137 CC(=O)NC(C)C1CC1 240690a_100000700016_100015343762 [0,0,0,1,0,1|1,0,1]=4 4404 B9R1.137 CC(=O)NC(C)C1CC1 527a_100000700016_100103153847 [0,0,0,1,0,1|1,0,1]=4 4405 B9R1.137 CC(C)CC(=O)C1CC1 1458a_100000210395_100000210624 [0,0,0,1,0,1|1,0,1]=4 4406 B9R1.137 CC(C)NC(=O)C1CC1 11a_100138425928_100000210395 [0,0,0,1,0,1|1,0,1]=4 4407 B9R1.137 CC(C)NC(=O)C1CC1 1626a_100138425928_100000210395 [0,0,0,1,0,1|1,0,1]=4 4408 B9R1.137 CC(C)NC(=O)C1CC1 240690a_100138425928_100000210395 [0,0,0,1,0,1|1,0,1]=4 4409 B9R1.137 CC(C)NC(=O)C1CC1 527a_100138425928_100000210395 [0,0,0,1,0,1|1,0,1]=4 4410 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,0,1,0,1|0,0,2]=4 4411 B9R1.137 CN(C)CC(=O)C1CC1 2230a_100102631434_100000746382 [0,0,0,1,0,1|2,0,0]=4 4412 B9R1.137 CN(C)CC(=O)C1CC1 269982a_100102631434_100000746382 [0,0,0,1,0,1|2,0,0]=4 4413 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,0,0,1,0,1|1,0,0]=3 4414 B9R1.137 NC(=O)CC(=O)C1CO1 1458a_100000701028_100000187820 [0,0,0,1,0,1|2,0,0]=4 4415 B9R1.137 O=C(C[N+](=O)[O-])C1CC1 1458a_100000210395_100000761209 [0,0,0,1,0,1|2,0,0]=4 4416 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,0,0,1,0,1|1,0,0]=3 4417 B9R1.137 O=C([O-])CC(=O)C1CO1 1458a_100000701028_100020667443 [0,0,0,1,0,1|2,0,0]=4 4418 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,1,0,1|1,0,1]=4 4419 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,0,1,0,1|1,0,1]=4 4420 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,0,1,0,1|1,0,1]=4 4421 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,0,1,0,1|1,0,1]=4 4422 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,0,1,0,1|1,0,1]=4 4423 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,0,1,0,1|1,0,1]=4 4424 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [0,0,0,1,0,1|1,0,1]=4 4425 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,1,0,1,0,0|1,0,1]=4 4426 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,1,0,1,0,0|1,0,1]=4 4427 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,1,0,1,0,0|2,0,0]=4 4428 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,1,0,1,0,0|2,0,0]=4 4429 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,1,0,1,0,0|2,0,0]=4 4430 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100102631434_100015396687 [0,1,0,1,0,0|2,0,0]=4 4431 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100102631434_100015396687 [0,1,0,1,0,0|2,0,0]=4 4432 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100102631434_100015396687 [0,1,0,1,0,0|2,0,0]=4 4433 B9R1.101 C#CC(C)C(=O)C1CC1 1458a_100000210395_200000035995 [0,1,0,1,0,0|1,0,1]=4 4434 B9R1.101 CC(C#N)C(=O)C1CC1 1458a_100000210395_100000703298 [0,1,0,1,0,0|1,0,1]=4 4435 B9R1.101 CCC(=O)N(C)C1CC1 11a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 4436 B9R1.101 CCC(=O)N(C)C1CC1 1626a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 4437 B9R1.101 CCC(=O)N(C)C1CC1 240690a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 4438 B9R1.101 CCC(=O)N(C)C1CC1 527a_100000226674_100000210414 [0,1,0,1,0,0|2,0,0]=4 4439 B9R1.101 CCC(C)C(=O)C1CC1 1458a_100000210395_100000758301 [0,1,0,1,0,0|1,0,1]=4 4440 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,1,0,1,0,0|0,0,2]=4 4441 B9R1.101 CCN(C)C(=O)C1CC1 11a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4442 B9R1.101 CCN(C)C(=O)C1CC1 1626a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4443 B9R1.101 CCN(C)C(=O)C1CC1 240690a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4444 B9R1.101 CCN(C)C(=O)C1CC1 527a_100000225621_100000210395 [0,1,0,1,0,0|2,0,0]=4 4445 B9R1.101 CN(C(=O)CO)C1CC1 240690a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 4446 B9R1.101 CN(C(=O)CO)C1CC1 527a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 4447 B9R1.101 CNC(=O)N(C)C1CC1 2708a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 4448 B9R1.101 CNC(=O)N(C)C1CC1 273464a_100102657272_100000226674 [0,1,0,1,0,0|2,0,0]=4 4449 B9R1.110 C=C(Br)C(=O)N1CCC1 11a_100000754969_100009813364 [0,1,0,1,0,0|1,0,1]=4 4450 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,1,0,0|1,0,0]=3 4451 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,1,0,1,0,0|1,0,0]=3 4452 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,1,0,1,0,0|1,0,0]=3 4453 B9R1.110 C=C(Cl)C(=O)N1CCC1 11a_100000754969_100000039160 [0,1,0,1,0,0|1,0,1]=4 4454 B9R1.110 C=C(F)C(=O)N1CCC1 11a_100000754969_100000036797 [0,1,0,1,0,0|1,0,1]=4 4455 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,1,0,1,0,0|1,0,1]=4 4456 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 4457 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 4458 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,1,0,1,0,0|2,0,0]=4 4459 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,1,0,1,0,0|2,0,0]=4 4460 B9R1.110 CC(=O)N(C)C1COC1 11a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 4461 B9R1.110 CC(=O)N(C)C1COC1 1626a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 4462 B9R1.110 CC(=O)N(C)C1COC1 240690a_100102693430_100015343762 [0,1,0,1,0,0|2,0,0]=4 4463 B9R1.110 CC(=O)N(C)C1COC1 527a_100102693430_100103153847 [0,1,0,1,0,0|2,0,0]=4 4464 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,1,0,1,0,0|1,0,1]=4 4465 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,1,0,1,0,0|1,0,1]=4 4466 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,1,0,0|1,0,1]=4 4467 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,1,0,0|1,0,1]=4 4468 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,1,0,0|1,0,1]=4 4469 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,1,0,1,0,0|1,0,1]=4 4470 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,1,0,1,0,0|1,0,1]=4 4471 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,1,0,1,0,0|1,0,1]=4 4472 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,1,0,1,0,0|1,0,1]=4 4473 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,1,0,1,0,0|1,0,1]=4 4474 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,1,0,1,0,0|1,0,1]=4 4475 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,1,0,1,0,0|1,0,1]=4 4476 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,1,0,1,0,0|1,0,1]=4 4477 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 4478 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 4479 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 4480 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,1,0,1,0,0|2,0,0]=4 4481 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 4482 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 4483 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 4484 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,1,0,1,0,0|2,0,0]=4 4485 B9R1.110 CN(C)C(=O)C1COC1 11a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 4486 B9R1.110 CN(C)C(=O)C1COC1 1626a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 4487 B9R1.110 CN(C)C(=O)C1COC1 240690a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 4488 B9R1.110 CN(C)C(=O)C1COC1 527a_100102631434_100000758290 [0,1,0,1,0,0|2,0,0]=4 4489 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,1,0,0|0,0,2]=4 4490 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,1,0,0|0,0,2]=4 4491 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,1,0,1,0,0|0,0,2]=4 4492 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,1,0,0|0,0,2]=4 4493 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,1,0,0|0,0,2]=4 4494 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,1,0,1,0,0|0,0,2]=4 4495 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,1,0,1,0,0|1,0,0]=3 4496 B9R1.111 CC(C)C(=O)C1(CC1)C 1458a_100000756474_100000210206 [0,1,0,1,0,0|1,0,1]=4 4497 B9R1.111 CC(C)C(=O)C1(CC1)F 1458a_100000055089_100000210206 [0,1,0,1,0,0|1,0,1]=4 4498 B9R1.111 CC(C)C(=O)C1(CC1)O 1458a_100000241761_100000210206 [0,1,0,1,0,0|1,0,1]=4 4499 B9R1.111 CN(C)C(=O)C1(CC1)C 11a_100102631434_100000756474 [0,1,0,1,0,0|2,0,0]=4 4500 B9R1.111 CN(C)C(=O)C1(CC1)C 1626a_100102631434_100000756474 [0,1,0,1,0,0|2,0,0]=4 4501 B9R1.111 CN(C)C(=O)C1(CC1)C 240690a_100102631434_100000756474 [0,1,0,1,0,0|2,0,0]=4 4502 B9R1.111 CN(C)C(=O)C1(CC1)C 527a_100102631434_100000756474 [0,1,0,1,0,0|2,0,0]=4 4503 B9R1.111 CN(C)C(=O)C1(CC1)F 11a_100102631434_100000055089 [0,1,0,1,0,0|2,0,0]=4 4504 B9R1.111 CN(C)C(=O)C1(CC1)F 1626a_100102631434_100000055089 [0,1,0,1,0,0|2,0,0]=4 4505 B9R1.111 CN(C)C(=O)C1(CC1)F 240690a_100102631434_100000055089 [0,1,0,1,0,0|2,0,0]=4 4506 B9R1.111 CN(C)C(=O)C1(CC1)F 527a_100102631434_100000055089 [0,1,0,1,0,0|2,0,0]=4 4507 B9R1.111 CN(C)C(=O)C1(CC1)O 240690a_100102631434_100000241761 [0,1,0,1,0,0|2,0,0]=4 4508 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [0,1,0,1,0,0|1,0,0]=3 4509 B9R1.11 CCC(=O)C1=CCOC1 1458a_100000139269_100000210202 [0,1,0,1,0,0|2,0,0]=4 4510 B9R1.11 CCC(=O)C1=COCC1 1458a_100000750620_100000210202 [0,1,0,1,0,0|2,0,0]=4 4511 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,1,0,0|1,0,1]=4 4512 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,1,0,0|1,0,1]=4 4513 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,1,0,0|0,1,1]=4 4514 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 4515 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|2,0,0]=4 4516 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,1,0,0|0,0,2]=4 4517 B9R1.11 CNC(=O)C1=CCCC1 11a_106832991635_100000038896 [0,1,0,1,0,0|1,0,0]=3 4518 B9R1.11 CNC(=O)C1=CCCC1 1626a_100102657272_100000038896 [0,1,0,1,0,0|1,0,0]=3 4519 B9R1.11 CNC(=O)C1=CCCC1 240690a_100102657272_100000038896 [0,1,0,1,0,0|1,0,0]=3 4520 B9R1.11 CNC(=O)C1=CCOC1 11a_106832991635_100000139269 [0,1,0,1,0,0|2,0,0]=4 4521 B9R1.11 CNC(=O)C1=CCOC1 1626a_100102657272_100000139269 [0,1,0,1,0,0|2,0,0]=4 4522 B9R1.11 CNC(=O)C1=CCOC1 240690a_100102657272_100000139269 [0,1,0,1,0,0|2,0,0]=4 4523 B9R1.11 CNC(=O)C1=COCC1 1626a_100102657272_100000750620 [0,1,0,1,0,0|2,0,0]=4 4524 B9R1.11 CNC(=O)C1=COCC1 240690a_100102657272_100000750620 [0,1,0,1,0,0|2,0,0]=4 4525 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,1,0,0|1,0,1]=4 4526 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,1,0,0|1,0,1]=4 4527 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,1,0,0|1,0,1]=4 4528 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,1,0,0|1,0,1]=4 4529 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,1,0,0|0,1,1]=4 4530 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,1,0,0|0,1,1]=4 4531 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,1,0,0|0,1,1]=4 4532 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,1,0,0|0,1,1]=4 4533 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,1,0,0|2,0,0]=4 4534 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,1,0,0|2,0,0]=4 4535 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,1,0,0|0,0,2]=4 4536 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,1,0,0|0,0,2]=4 4537 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,1,0,0|0,0,2]=4 4538 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,1,0,0|0,0,2]=4 4539 B9R1.11 O=C(CF)C1=CCCC1 1458a_100000038896_100015361967 [0,1,0,1,0,0|1,0,0]=3 4540 B9R1.11 O=C(CF)C1=CCOC1 1458a_100000139269_100015361967 [0,1,0,1,0,0|2,0,0]=4 4541 B9R1.11 O=C(CF)C1=COCC1 1458a_100000750620_100015361967 [0,1,0,1,0,0|2,0,0]=4 4542 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,1,0,0|1,0,1]=4 4543 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,1,0,0|0,1,1]=4 4544 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,1,0,0|0,0,2]=4 4545 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|1,0,1]=4 4546 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 4547 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|2,0,0]=4 4548 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,1,0,1,0,0|1,0,1]=4 4549 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,1,0,1,0,0|1,0,1]=4 4550 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,1,0,1,0,0|0,0,2]=4 4551 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,1,0,1,0,0|0,0,2]=4 4552 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,1,0,1,0,0|0,1,1]=4 4553 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,1,0,1,0,0|0,1,1]=4 4554 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,1,0,1,0,0|0,0,2]=4 4555 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,1,0,1,0,0|0,1,1]=4 4556 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,1,0,1,0,0|0,1,1]=4 4557 B9R1.28 COC1C(=O)C(=O)C1=O 7a_100010658403_200000210301 [0,1,0,1,0,0|1,0,1]=4 4558 B9R1.28 [13CH3]OC1C(=O)C(=O)C1=O 7a_100010658403_200025704644 [0,1,0,1,0,0|1,0,1]=4 4559 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [0,1,0,1,0,0|2,0,0]=4 4560 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [0,1,0,1,0,0|2,0,0]=4 4561 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4562 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4563 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4564 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4565 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,1,0,1,0,0|1,0,1]=4 4566 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,1,0,1,0,0|1,0,1]=4 4567 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [0,1,0,1,0,0|0,0,2]=4 4568 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|0,0,2]=4 4569 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|0,0,2]=4 4570 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 4571 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 4572 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [0,1,0,1,0,0|2,0,0]=4 4573 B9R1.74 CCCC(=O)C1(CC1)C 1458a_100000756474_100000210303 [0,1,0,1,0,0|1,0,1]=4 4574 B9R1.74 CCCC(=O)C1(CC1)F 1458a_100000055089_100000210303 [0,1,0,1,0,0|1,0,1]=4 4575 B9R1.74 CCCC(=O)C1(CC1)O 1458a_100000241761_100000210303 [0,1,0,1,0,0|0,0,2]=4 4576 B9R1.82 CC1CC(C1)C(=O)CF 1458a_100000686124_100015361967 [0,1,0,1,0,0|1,0,1]=4 4577 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,1,0,0|2,0,0]=4 4578 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,1,0,0|2,0,0]=4 4579 B9R1.82 CCC(=O)C1CC(C1)C 1458a_100000686124_100000210202 [0,1,0,1,0,0|1,0,1]=4 4580 B9R1.82 CCC(=O)N1CC(C1)C 11a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4581 B9R1.82 CCC(=O)N1CC(C1)C 240690a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4582 B9R1.82 CCC(=O)N1CC(C1)C 527a_100000702820_100000210414 [0,1,0,1,0,0|2,0,0]=4 4583 B9R1.82 CNC(=O)C1CC(C1)C 11a_106832991635_100000686124 [0,1,0,1,0,0|1,0,1]=4 4584 B9R1.82 CNC(=O)C1CC(C1)C 1626a_100102657272_100000686124 [0,1,0,1,0,0|1,0,1]=4 4585 B9R1.82 CNC(=O)C1CC(C1)C 240690a_100102657272_100000686124 [0,1,0,1,0,0|1,0,1]=4 4586 B9R1.82 CNC(=O)C1CC(C1)C 527a_100102657272_100000686124 [0,1,0,1,0,0|1,0,1]=4 4587 B9R1.82 CNC(=O)N1CC(C1)C 2708a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 4588 B9R1.82 CNC(=O)N1CC(C1)C 273464a_100102657272_100000702820 [0,1,0,1,0,0|2,0,0]=4 4589 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [0,1,0,1,0,0|1,0,1]=4 4590 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [0,1,0,1,0,0|1,0,1]=4 4591 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [0,1,0,1,0,0|1,0,1]=4 4592 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [0,1,0,1,0,0|1,0,1]=4 4593 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [0,1,0,1,0,0|1,0,1]=4 4594 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [0,1,0,1,0,0|1,0,1]=4 4595 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,1,0,0|1,0,1]=4 4596 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|1,0,1]=4 4597 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,1,0,0|0,0,2]=4 4598 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,1,0,0|1,0,1]=4 4599 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,1,0,0|1,0,1]=4 4600 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,1,0,0|1,0,1]=4 4601 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,1,0,0|1,0,1]=4 4602 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,1,0,0|0,0,2]=4 4603 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,1,0,0|0,0,2]=4 4604 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,1,0,1,0,0|1,0,0]=3 4605 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,1,0,1,0,0|0,0,1]=3 4606 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,1,0,1,0,0|0,0,1]=3 4607 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,1,0,1,0,0|0,0,2]=4 4608 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,1,0,1,0,0|1,0,1]=4 4609 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,1,0,1,0,0|1,0,1]=4 4610 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,1,0,1,0,0|1,0,1]=4 4611 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,1,0,1,0,0|0,0,2]=4 4612 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,1,0,1,0,0|0,0,2]=4 4613 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,1,0,1,0,0|0,0,2]=4 4614 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,1,0,1,0,0|1,0,1]=4 4615 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,1,0,1,0,0|1,0,1]=4 4616 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,1,0,1,0,0|1,0,1]=4 4617 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,1,0,1,0,0|0,0,2]=4 4618 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,1,0,1,0,0|0,1,1]=4 4619 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,1,0,1,0,0|1,0,1]=4 4620 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,1,0,1,0,0|1,0,1]=4 4621 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,1,0,1,0,0|2,0,0]=4 4622 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,1,0,1,0,0|2,0,0]=4 4623 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,1,0,1,0,0|2,0,0]=4 4624 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,1,0,1,0,0|2,0,0]=4 4625 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,1,0,1,0,0|2,0,0]=4 4626 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,1,0,1,0,0|2,0,0]=4 4627 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,1,0,1,0,0|2,0,0]=4 4628 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,1,0,1,0,0|1,0,0]=3 4629 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,1,0,1,0,0|0,0,1]=3 4630 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,1,0,1,0,0|0,0,1]=3 4631 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,1,0,1,0,0|0,0,2]=4 4632 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,1,0,1,0,0|1,0,1]=4 4633 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,1,0,1,0,0|0,0,2]=4 4634 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,1,0,1,0,0|0,0,2]=4 4635 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,1,0,1,0,0|1,0,1]=4 4636 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,1,0,1,0,0|1,0,1]=4 4637 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,1,0,1,0,0|0,0,2]=4 4638 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,1,0,1,0,0|0,1,1]=4 4639 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,1,0,1,0,0|2,0,0]=4 4640 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,1,0,1,0,0|2,0,0]=4 4641 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4642 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,1,0,1,0,0|2,0,0]=4 4643 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,1,0,1,0,0|2,0,0]=4 4644 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4645 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,1,0,1,0,0|2,0,0]=4 4646 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,1,0,1,0,0|2,0,0]=4 4647 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,1,0,1,0,0|2,0,0]=4 4648 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|1,0,1]=4 4649 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,1,0,0|1,0,1]=4 4650 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4651 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4654 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4655 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,1,0,0|2,0,0]=4 4656 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,1,0,0|2,0,0]=4 4657 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,1,0,0|2,0,0]=4 4658 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,1,0,0|2,0,0]=4 4659 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,1,0,0|1,0,1]=4 4660 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|1,0,1]=4 4661 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,1,0,1,0,0|1,0,1]=4 4662 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,1,0,1,0,0|1,0,1]=4 4663 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,1,0,1,0,0|1,0,1]=4 4664 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,1,0,1,0,0|1,0,1]=4 4665 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,1,0,1,0,0|1,0,1]=4 4666 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,1,0,1,0,0|1,0,1]=4 4667 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,1,0,1,0,0|1,0,1]=4 4668 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,1,0,1,0,0|1,0,1]=4 4669 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,1,0,1,0,0|1,0,1]=4 4670 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,1]=4 4671 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 4672 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,1,0,1,0,0|2,0,0]=4 4673 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,1,0,1,0,0|2,0,0]=4 4674 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,1,0,1,0,0|2,0,0]=4 4675 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,1,0,1,0,0|2,0,0]=4 4676 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,1,0,1,0,0|2,0,0]=4 4677 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4678 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4679 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,1,0,1,0,0|2,0,0]=4 4680 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,1,0,1,0,0|2,0,0]=4 4681 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,1,0,1,0,0|2,0,0]=4 4682 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,1,0,0|1,0,1]=4 4683 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,1,0,0|1,0,1]=4 4684 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4685 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4686 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,1,0,1,0,0|2,0,0]=4 4687 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,1,0,1,0,0|2,0,0]=4 4688 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4689 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4690 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,1,0,1,0,0|2,0,0]=4 4691 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,1,0,1,0,0|2,0,0]=4 4692 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,1]=4 4693 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,1,0,1,0,0|1,0,1]=4 4694 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,1,0,1,0,0|0,0,2]=4 4695 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,1,0,1,0,0|1,0,1]=4 4696 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,1,0,1,0,0|1,0,1]=4 4697 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,1,0,1,0,0|1,0,1]=4 4698 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,1,0,1,0,0|1,0,1]=4 4699 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,1,0,1,0,0|0,0,2]=4 4700 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,1,0,1,0,0|0,0,2]=4 4701 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,1,0,1,0,0|0,0,2]=4 4702 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,1,0,1,0,0|0,0,2]=4 4703 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,1,0,1,0,0|1,0,1]=4 4704 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,1,0,1,0,0|1,0,1]=4 4705 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,1,0,1,0,0|1,0,1]=4 4706 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,1,0,1,0,0|1,0,1]=4 4707 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,1,0,1,0,0|1,0,1]=4 4708 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,1,0,1,0,0|1,0,1]=4 4709 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,1,0,1,0,0|0,0,2]=4 4710 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,1,0,1,0,0|1,0,1]=4 4711 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,1,0,1,0,0|0,0,2]=4 4712 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,1,0,1,0,0|1,0,1]=4 4713 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,1,0,1,0,0|0,0,2]=4 4714 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,1,0,1,0,0|1,0,1]=4 4715 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,1,0,1,0,0|0,0,2]=4 4716 B9R1.112 C=C(Br)C(=O)NC1CC1 1626a_100000212008_100009813364 [0,1,0,1,0,0|1,0,1]=4 4717 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,1,0,1,0,0|1,0,0]=3 4718 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,1,0,1,0,0|1,0,0]=3 4719 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,1,0,1,0,0|1,0,0]=3 4720 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,1,0,1,0,0|1,0,0]=3 4721 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,1,0,1,0,0|1,0,0]=3 4722 B9R1.112 C=C(Cl)C(=O)NC1CC1 1626a_100000212008_100000039160 [0,1,0,1,0,0|1,0,1]=4 4723 B9R1.112 C=C(F)C(=O)NC1CC1 1626a_100000212008_100000036797 [0,1,0,1,0,0|1,0,1]=4 4724 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|0,0,0]=2 4725 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,1,0,1,0,0|1,0,1]=4 4726 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,1,0,1,0,0|1,0,1]=4 4727 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4728 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4729 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,1,0,1,0,0|2,0,0]=4 4730 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,1,0,1,0,0|2,0,0]=4 4731 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,1,0,1,0,0|1,0,1]=4 4732 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,1,0,1,0,0|1,0,1]=4 4733 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,1,0,1,0,0|1,0,1]=4 4734 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,1,0,1,0,0|1,0,1]=4 4735 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,1,0,1,0,0|1,0,1]=4 4736 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,1,0,1,0,0|1,0,1]=4 4737 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,1,0,1,0,0|1,0,1]=4 4738 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,1,0,1,0,0|1,0,1]=4 4739 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,1,0,1,0,0|1,0,1]=4 4740 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,1,0,1,0,0|1,0,1]=4 4741 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,1,0,1,0,0|1,0,1]=4 4742 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,1,0,1,0,0|1,0,1]=4 4743 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,1,0,1,0,0|1,0,1]=4 4744 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,1,0,1,0,0|1,0,1]=4 4745 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,1,0,1,0,0|1,0,1]=4 4746 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 4747 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 4748 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 4749 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,1,0,1,0,0|2,0,0]=4 4750 B9R1.112 CN(C)C(=O)NC1CC1 2708a_100000212008_100102631434 [0,1,0,1,0,0|2,0,0]=4 4751 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,1,0,1,0,0|0,0,2]=4 4752 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,1,0,1,0,0|0,0,2]=4 4753 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,1,0,1,0,0|0,0,2]=4 4754 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,1,0,1,0,0|0,0,2]=4 4755 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,1,0,1,0,0|0,0,2]=4 4756 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,1,0,1,0,0|0,0,2]=4 4757 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,1,0,1,0,0|0,0,2]=4 4758 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,1,0,1,0,0|0,0,2]=4 4759 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,1,0,1,0,0|0,0,2]=4 4760 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,1,0,1,0,0|0,0,2]=4 4761 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,1,0,1,0,0|0,0,2]=4 4762 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,1,0,1,0,0|1,0,0]=3 4763 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|0,0,0]=2 4764 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,1,0,0|1,0,1]=4 4765 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,1,0,0|0,0,2]=4 4766 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|0,0,2]=4 4767 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,1,0,0|1,0,1]=4 4768 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|0,0,2]=4 4769 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,1,0,0|0,0,2]=4 4770 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [0,1,0,1,0,0|2,0,0]=4 4771 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [0,1,0,1,0,0|2,0,0]=4 4772 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [0,1,0,1,0,0|2,0,0]=4 4773 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [0,1,0,1,0,0|2,0,0]=4 4774 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [0,1,0,1,0,0|1,0,1]=4 4775 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,1,0,1,0,0|1,0,1]=4 4776 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,1,0,1,0,0|1,0,1]=4 4777 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [0,1,0,1,0,0|1,0,1]=4 4778 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [0,1,0,1,0,0|1,0,1]=4 4779 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4780 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4781 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [0,1,0,1,0,0|2,0,0]=4 4782 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [0,1,0,1,0,0|2,0,0]=4 4783 B9R1.164 CC(=O)N1CC(C1)(C)F 11a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4784 B9R1.164 CC(=O)N1CC(C1)(C)F 1626a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4785 B9R1.164 CC(=O)N1CC(C1)(C)F 240690a_100000696199_100015343762 [0,1,0,1,0,0|2,0,0]=4 4786 B9R1.164 CC(=O)N1CC(C1)(C)F 527a_100000696199_100103153847 [0,1,0,1,0,0|2,0,0]=4 4787 B9R1.164 CC(=O)N1CC(C1)(C)O 11a_100000718560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4788 B9R1.164 CC(=O)N1CC(C1)(C)O 240690a_100000718560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4789 B9R1.164 CC(=O)N1CC(C1)(C)O 527a_100000718560_100103153847 [0,1,0,1,0,0|2,0,0]=4 4790 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,1,0,1,0,0|1,0,1]=4 4791 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [0,1,0,1,0,0|1,0,1]=4 4792 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,1,0,1,0,0|1,0,1]=4 4793 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,2,0,0|1,0,1]=4 4794 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,2,0,0|1,0,1]=4 4795 B9R0.48 C#CCC(=O)CNC(=O)C 1458a_100000194580_100000184674 [0,0,0,0,0,2|0,0,2]=4 4796 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,0,0,0,0,2|0,0,2]=4 4797 B9R0.48 C#CCC(=O)CSC(=O)C 1458a_100000049016_100000184674 [0,0,0,0,0,2|0,0,2]=4 4798 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,0,0,0,0,2|1,0,0]=3 4799 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,0,0,0,0,2|1,0,0]=3 4800 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,0,0,0,0,2|2,0,0]=4 4801 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,0,2|2,0,0]=4 4802 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,0,2|2,0,0]=4 4803 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,0,0,0,0,2|2,0,0]=4 4804 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,0,0,0,0,2|2,0,0]=4 4805 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,0,0,0,0,2|2,0,0]=4 4806 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,0,0,0,0,2|2,0,0]=4 4807 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,0,0,0,0,2|2,0,0]=4 4808 B9R0.48 C=C(C)CNC(=O)CCC 11a_100000765925_100000211992 [0,0,0,0,0,2|1,0,0]=3 4809 B9R0.48 C=C(C)CNC(=O)CCC 1626a_100000765925_100000211992 [0,0,0,0,0,2|1,0,0]=3 4810 B9R0.48 C=C(C)CNC(=O)CCC 240690a_100000765925_100000211992 [0,0,0,0,0,2|1,0,0]=3 4811 B9R0.48 C=C(C)CNC(=O)CCC 527a_100000765925_100000211992 [0,0,0,0,0,2|1,0,0]=3 4812 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,0,0,0,0,2|2,0,0]=4 4813 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,0,0,0,0,2|2,0,0]=4 4814 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,0,0,0,0,2|2,0,0]=4 4815 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,0,0,0,0,2|2,0,0]=4 4816 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,0,0,0,0,2|2,0,0]=4 4817 B9R0.48 C=C(C)CNC(=O)CSC 11a_100000765925_100000184570 [0,0,0,0,0,2|2,0,0]=4 4818 B9R0.48 C=C(C)CNC(=O)CSC 1626a_100000765925_100000184570 [0,0,0,0,0,2|2,0,0]=4 4819 B9R0.48 C=C(C)CNC(=O)CSC 240690a_100000765925_100000184570 [0,0,0,0,0,2|2,0,0]=4 4820 B9R0.48 C=C(C)CNC(=O)CSC 527a_100000765925_100000184570 [0,0,0,0,0,2|2,0,0]=4 4821 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100000765925_100015525214 [0,0,0,0,0,2|2,0,0]=4 4822 B9R0.48 C=C(C)CNC(=O)NCC 2708a_100015525214_100000765925 [0,0,0,0,0,2|2,0,0]=4 4823 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100000765925_100015525214 [0,0,0,0,0,2|2,0,0]=4 4824 B9R0.48 C=C(C)CNC(=O)NCC 273464a_100015525214_100000765925 [0,0,0,0,0,2|2,0,0]=4 4825 B9R0.48 C=C(C)CNC(=O)NCC 512a_100000765925_100015525214 [0,0,0,0,0,2|2,0,0]=4 4826 B9R0.48 C=C(C)CNC(=O)NCC 512a_100015525214_100000765925 [0,0,0,0,0,2|2,0,0]=4 4827 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,0,0,0,0,2|0,0,2]=4 4828 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,0,0,0,0,2|0,0,2]=4 4829 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,0,0,0,0,2|0,0,2]=4 4830 B9R0.48 C=CCC(=O)NNC(=O)C 22a_100000189765_100000210193 [0,0,0,0,0,2|0,0,2]=4 4831 B9R0.48 CC#CC(=O)NNC(=O)C 22a_100000189765_100000763181 [0,0,0,0,0,2|0,0,2]=4 4832 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,0,2|2,0,0]=4 4833 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,0,2|2,0,0]=4 4834 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,0,2|2,0,0]=4 4835 B9R0.48 CC(=O)NCC(=O)CC#N 1458a_100000194580_100011214920 [0,0,0,0,0,2|1,0,1]=4 4836 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,0,0,0,0,2|1,0,0]=3 4837 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,0,0,0,0,2|1,0,0]=3 4838 B9R0.48 CC(=O)NNC(=O)CC#N 22a_100000189765_100051588842 [0,0,0,0,0,2|1,0,1]=4 4839 B9R0.48 CC(=O)NNC(=O)CC#N 22a_100000210509_100000070787 [0,0,0,0,0,2|1,0,1]=4 4840 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,0,0,0,0,2|1,0,0]=3 4841 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_100000181415_200025704644 [0,0,0,0,0,2|1,0,0]=3 4842 B9R0.48 CC(=O)NNC(=O)CS[13CH3] 62a_200025704644_100000181415 [0,0,0,0,0,2|1,0,0]=3 4843 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,0,0,0,0,2|1,0,1]=4 4844 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,0,0,0,0,2|1,0,0]=3 4845 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,0,0,0,0,2|1,0,0]=3 4846 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,0,0,0,0,2|1,0,0]=3 4847 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,0,0,0,0,2|1,0,0]=3 4848 B9R0.48 CC(=O)SCC(=O)CC#N 1458a_100000049016_100011214920 [0,0,0,0,0,2|1,0,1]=4 4849 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,0,0,0,0,2|1,0,0]=3 4850 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,0,0,0,0,2|1,0,0]=3 4851 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [0,0,0,0,0,2|0,0,2]=4 4852 B9R0.48 CCCC(=NNC(=O)C)C 4a_100000189765_100000211909 [0,0,0,0,0,2|1,0,0]=3 4853 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,0,0,0,0,2|1,0,1]=4 4854 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,0,2|1,0,0]=3 4855 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,0,2|1,0,0]=3 4856 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,0,0,0,0,2|1,0,0]=3 4857 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,0,0,0,0,2|1,0,1]=4 4858 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,0,0,0,0,2|1,0,1]=4 4859 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,0,0,0,0,2|0,0,2]=4 4860 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,0,0,0,0,2|2,0,0]=4 4861 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [0,0,0,0,0,2|2,0,0]=4 4862 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,0,0,0,0,2|0,0,0]=2 4863 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,0,0,0,0,2|1,0,0]=3 4864 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [0,0,0,0,0,2|1,0,1]=4 4865 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,0,0,0,0,2|0,0,0]=2 4866 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [0,0,0,0,0,2|1,0,1]=4 4867 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,0,0,0,0,2|0,0,0]=2 4868 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [0,0,0,0,0,2|1,0,1]=4 4869 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [0,0,0,0,0,2|1,0,1]=4 4870 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [0,0,0,0,0,2|1,0,1]=4 4871 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,0,0,0,0,2|1,0,0]=3 4872 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,0,0,0,0,2|1,0,0]=3 4873 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,0,0,0,0,2|1,0,0]=3 4874 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [0,0,0,0,0,2|1,0,1]=4 4875 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [0,0,0,0,0,2|1,0,1]=4 4876 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [0,0,0,0,0,2|1,0,1]=4 4877 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [0,0,0,0,0,2|1,0,1]=4 4878 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [0,0,0,0,0,2|0,0,2]=4 4879 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [0,0,0,0,0,2|0,0,2]=4 4880 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [0,0,0,0,0,2|0,0,2]=4 4881 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189765_100000211992 [0,0,0,0,0,2|0,0,0]=2 4882 B9R0.48 CCCC(=O)NNC(=O)C 22a_100000189770_100000070787 [0,0,0,0,0,2|0,0,0]=2 4883 B9R0.48 CCCC(=O)NNC(C)C 22a_100000741168_100000211992 [0,0,0,0,0,2|1,0,1]=4 4884 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,0,0,0,0,2|0,0,0]=2 4885 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [0,0,0,0,0,2|2,0,0]=4 4886 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [0,0,0,0,0,2|2,0,0]=4 4887 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,0,0,0,0,2|1,0,1]=4 4888 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,0,0,0,0,2|2,0,0]=4 4889 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,0,0,0,0,2|2,0,0]=4 4890 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,0,2|2,0,0]=4 4891 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,0,2|2,0,0]=4 4892 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,0,2|2,0,0]=4 4893 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,0,0,0,0,2|1,0,0]=3 4894 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,0,0,0,0,2|2,0,0]=4 4895 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,0,0,0,0,2|2,0,0]=4 4896 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,0,0,0,0,2|1,0,0]=3 4897 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,0,0,0,0,2|1,0,0]=3 4898 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,0,0,0,0,2|1,0,0]=3 4899 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,0,0,0,0,2|1,0,0]=3 4900 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,0,0,0,0,2|1,0,0]=3 4901 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,0,0,0,0,2|1,0,0]=3 4902 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,0,0,0,0,2|1,0,0]=3 4903 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,0,0,0,0,2|1,0,0]=3 4904 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,0,0,0,0,2|2,0,0]=4 4905 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,0,0,0,0,2|2,0,0]=4 4906 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,0,0,0,0,2|1,0,0]=3 4907 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,0,0,0,0,2|1,0,0]=3 4908 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,0,0,0,0,2|1,0,0]=3 4909 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,0,0,0,0,2|1,0,0]=3 4910 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,0,0,0,0,2|2,0,0]=4 4911 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,0,0,0,0,2|2,0,0]=4 4912 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,0,0,0,0,2|2,0,0]=4 4913 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,0,0,0,0,2|2,0,0]=4 4914 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,0,0,0,0,2|2,0,0]=4 4915 B9R0.48 CCNC(=O)NNC(=O)C 273464a_100015525214_100000189765 [0,0,0,0,0,2|1,0,0]=3 4916 B9R0.48 CCNC(=O)NNC(=O)C 512a_100000189765_100015525214 [0,0,0,0,0,2|1,0,0]=3 4917 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,0,0,0,0,2|1,0,0]=3 4918 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,0,0,0,0,2|1,0,0]=3 4919 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,0,0,0,0,2|1,0,0]=3 4920 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,0,0,0,0,2|1,0,0]=3 4921 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,0,0,0,0,2|1,0,0]=3 4922 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,0,0,0,0,2|1,0,0]=3 4923 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,0,0,0,0,2|1,0,0]=3 4924 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,0,0,0,0,2|1,0,0]=3 4925 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,0,0,0,0,2|2,0,0]=4 4926 B9R0.48 CNCC(=O)NNC(=O)C 2230a_106832991635_100000181415 [0,0,0,0,0,2|1,0,0]=3 4927 B9R0.48 CNCC(=O)NNC(=O)C 7a_106832991635_100000181415 [0,0,0,0,0,2|1,0,0]=3 4928 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,0,0,0,0,2|2,0,0]=4 4929 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,0,0,0,0,2|2,0,0]=4 4930 B9R0.48 CNNC(=O)NNC(=O)C 512a_100000189765_100016993582 [0,0,0,0,0,2|2,0,0]=4 4931 B9R0.48 COCC(=NNC(=O)C)C 4a_100000189765_100000749346 [0,0,0,0,0,2|2,0,0]=4 4932 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,0,0,0,0,2|2,0,0]=4 4933 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,0,0,0,0,2|1,0,0]=3 4934 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,0,0,0,0,2|2,0,0]=4 4935 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,0,0,0,0,2|2,0,0]=4 4936 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,0,0,0,0,2|2,0,0]=4 4937 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,0,0,0,0,2|1,0,0]=3 4938 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,0,0,0,0,2|1,0,0]=3 4939 B9R0.48 CSCC(=NNC(=O)C)C 4a_100000189765_100011216314 [0,0,0,0,0,2|2,0,0]=4 4940 B9R0.48 CSCC(=O)CC=C(C)C 1458a_100000184570_100000761012 [0,0,0,0,0,2|2,0,0]=4 4941 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,0,0,0,0,2|1,0,0]=3 4942 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,0,0,0,0,2|1,0,0]=3 4943 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,0,0,0,0,2|2,0,0]=4 4944 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,0,0,0,0,2|2,0,0]=4 4945 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,0,0,0,0,2|2,0,0]=4 4946 B9R0.48 CSCC(=O)NNC(=O)C 22a_100000189765_100000184570 [0,0,0,0,0,2|1,0,0]=3 4947 B9R0.48 CSCC(=O)NNC(=O)C 62a_100000181415_200000210301 [0,0,0,0,0,2|1,0,0]=3 4948 B9R0.48 CSCC(=O)NNC(=O)C 62a_200000210301_100000181415 [0,0,0,0,0,2|1,0,0]=3 4949 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,0,0,0,0,2|2,0,0]=4 4950 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,0,0,0,0,2|2,0,0]=4 4951 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,0,0,0,0,2|2,0,0]=4 4952 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,0,0,0,0,2|2,0,0]=4 4953 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,0,0,0,0,2|2,0,0]=4 4954 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,0,0,0,0,2|2,0,0]=4