0 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,0,0|1,0,0]=1 16 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,0|1,0,2]=3 17 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,0|1,0,2]=3 18 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,0,0|1,0,0]=1 36 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,0|1,0,1]=2 41 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,0|1,0,2]=3 42 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,0,0|2,0,2]=4 44 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,0|1,0,2]=3 48 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,0,0|2,0,2]=4 50 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,0|2,0,1]=3 53 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,0|1,0,2]=3 54 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,0|1,0,2]=3 55 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,0,0|2,0,2]=4 59 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,0,0|2,0,2]=4 63 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,0,0|2,0,2]=4 64 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,0,0|2,0,2]=4 65 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,0|2,0,2]=4 66 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,0|2,0,2]=4 68 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,0|2,0,2]=4 69 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,0|2,0,2]=4 70 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|1,0,1]=3 90 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|1,0,1]=3 91 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,2]=4 96 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,0,0,0,0|1,0,2]=4 99 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,0,0,0,0|1,0,2]=4 100 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,0,0,0,0|1,0,0]=2 102 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,2]=4 103 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,2]=4 105 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,2]=4 118 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,2]=4 124 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,1,0,0,0,0|1,0,2]=4 130 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|1,0,2]=4 134 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.9 C=CC(=O)NNC(C)C 22a_100000741168_100000185746 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,0|1,0,2]=4 139 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,0|0,0,2]=3 140 B8R0.9 CC(=NNC(C)C)CO 4a_100000741168_100000211253 [0,1,0,0,0,0|3,0,0]=4 141 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,0,0,0,0|1,0,2]=4 145 B8R0.9 CC(C)C=CC(=O)CF 1458a_100016268746_100015361967 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|0,0,2]=3 148 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|1,0,1]=3 150 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|1,0,2]=4 158 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,0,0,0,0|1,0,2]=4 161 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|1,0,2]=4 162 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,0,0,0,0|1,0,0]=2 167 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|1,0,2]=4 170 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|1,0,2]=4 171 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,0,0,0,0|2,0,1]=4 176 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|1,0,2]=4 182 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|1,0,2]=4 183 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|1,0,1]=3 190 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,0,0,0,0|1,0,2]=4 197 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,0,0,0,0|1,0,0]=2 201 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 204 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 205 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|1,0,2]=4 207 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 208 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,0,0,0,0|2,0,1]=4 231 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|1,0,2]=4 237 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|1,0,2]=4 239 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|1,0,1]=3 240 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|1,0,1]=3 241 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|1,0,1]=3 243 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|1,0,1]=3 244 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|1,0,1]=3 245 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,1,0,0,0,0|1,0,2]=4 248 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,1,0,0,0,0|1,0,2]=4 249 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,0,0,0,0|2,0,1]=4 251 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,0,0,0,0|2,0,1]=4 252 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,0,0,0,0|2,0,1]=4 254 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|1,0,1]=3 255 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,0,0,0,0|2,0,1]=4 256 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,0,0,0,0|1,0,2]=4 258 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,1,0,0,0,0|3,0,0]=4 261 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,0,0,0,0|3,0,0]=4 263 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,1,0,0,0,0|3,0,0]=4 266 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,0,0|2,0,0]=3 271 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,1,0,0,0,0|2,0,0]=3 272 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,1,0,0,0,0|3,0,0]=4 279 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,0,0|2,0,0]=3 283 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|1,0,2]=4 284 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,0,0|1,0,1]=3 289 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,0,0|2,0,1]=4 293 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,0,0|2,0,1]=4 294 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,0|2,0,1]=4 297 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,0|2,0,1]=4 298 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,0|2,0,1]=4 299 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|1,0,2]=4 300 B8R0.23 CC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210206 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,0,0|1,0,1]=3 302 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,0,0|1,0,1]=3 303 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,0,0|0,0,2]=3 304 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,0,0|1,0,2]=4 305 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,0,0,0,0|0,0,3]=4 307 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,0,0|1,0,2]=4 308 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|1,0,2]=4 310 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,0|2,0,1]=4 311 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|1,0,1]=3 313 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,0|2,0,1]=4 314 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,0|1,0,2]=4 315 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,1,0,0,0,0|2,0,0]=3 316 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,0,0|2,0,0]=3 317 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,1,0,0,0,0|1,0,2]=4 318 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,0,0|2,0,1]=4 322 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,0,0|2,0,1]=4 323 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,0,0|2,0,1]=4 325 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,0,0|1,0,2]=4 326 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|1,0,1]=3 327 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,0,0|2,0,1]=4 331 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,0,0|1,0,2]=4 332 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,0,0|1,0,2]=4 333 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,0,0|2,0,1]=4 337 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,0,0|1,0,2]=4 340 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,0,0|1,0,2]=4 341 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,1,0,0,0,0|1,0,2]=4 343 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,0,0|1,0,2]=4 344 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 1626a_100102631434_100000137448 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 240690a_100102631434_100000137448 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,1,0,0,0,0|2,0,1]=4 349 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,1,0,0,0,0|1,0,2]=4 350 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,1,0,0,0,0|2,0,1]=4 351 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,1,0,0,0,0|1,0,2]=4 352 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,0,0|1,0,2]=4 354 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,0,0|1,0,2]=4 355 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,0,0|2,0,1]=4 358 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,1,0,0,0,0|1,0,2]=4 370 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,0,0|1,0,2]=4 371 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,0,0|1,0,1]=3 373 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,0,0,0,0|1,0,2]=4 377 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,0,0,0,0|1,0,2]=4 380 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,0,0,0,0|1,0,2]=4 381 B8R1.3 Cc1ccc(cc1)O 271570a_203496583355_100000186775 [0,0,0,1,0,0|1,0,2]=4 382 B8R1.3 Cc1ccc(cn1)O 271570a_203496583355_100000751577 [0,0,0,1,0,0|2,0,1]=4 383 B8R1.3 Cc1ccc(nc1)O 271570a_203496583355_100000754016 [0,0,0,1,0,0|1,0,2]=4 384 B8R1.3 Cc1ccc(nn1)O 271570a_203496583355_100011450037 [0,0,0,1,0,0|2,0,1]=4 385 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|1,0,2]=4 386 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,0,0|2,0,1]=4 387 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,0,0|2,0,1]=4 388 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,0,0|2,0,1]=4 389 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|1,0,2]=4 390 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,0,1,0,0|1,0,0]=2 391 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|1,0,2]=4 392 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|1,0,2]=4 393 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,0,1,0,0|2,0,1]=4 394 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,0,1,0,0|2,0,1]=4 395 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,0,1,0,0|2,0,1]=4 396 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,0,1,0,0|2,0,1]=4 397 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,0,1,0,0|2,0,1]=4 398 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,0,1,0,0|3,0,0]=4 399 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,0,1,0,0|2,0,1]=4 400 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,0,1,0,0|2,0,1]=4 401 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|1,0,1]=3 402 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,0,1,0,0|1,0,2]=4 403 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,0,1,0,0|1,0,2]=4 404 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,0,1,0,0|1,0,0]=2 405 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|1,0,2]=4 406 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|1,0,2]=4 407 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|1,0,2]=4 408 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,1,0|1,0,1]=3 409 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,1,0|2,0,1]=4 410 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,1,0|2,0,1]=4 411 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,1,0|1,0,1]=3 412 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,1,0|2,0,1]=4 413 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,1,0|2,0,1]=4 414 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,1,0|1,0,1]=3 415 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,1,0|1,0,1]=3 416 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,1,0|2,0,1]=4 417 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,1,0|2,0,1]=4 418 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,1,0|2,0,1]=4 419 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,1,0|2,0,1]=4 420 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,1,0|2,0,0]=3 421 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,1,0|2,0,0]=3 422 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,1,0|2,0,0]=3 423 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,1,0|2,0,0]=3 424 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,1,0|1,0,1]=3 425 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,1,0|2,0,1]=4 426 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,1,0|2,0,1]=4 427 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,1,0|2,0,1]=4 428 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,1,0|1,0,1]=3 429 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,1,0|2,0,1]=4 430 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,1,0|1,0,2]=4 431 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,1,0|2,0,1]=4 432 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,1,0|1,0,1]=3 433 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,1,0|2,0,1]=4 434 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,1,0|2,0,1]=4 435 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,0,0,0,0,1|3,0,0]=4 436 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 437 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,1|2,0,1]=4 438 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,1|2,0,1]=4 439 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,1|2,0,1]=4 440 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,1|2,0,1]=4 441 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,1|2,0,1]=4 442 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,1|2,0,1]=4 443 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,1|1,0,0]=2 444 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,1|2,0,0]=3 445 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,1|1,0,2]=4 446 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,1|1,0,2]=4 447 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,1|1,0,2]=4 448 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,1|1,0,2]=4 449 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,1|1,0,2]=4 450 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,1|1,0,2]=4 451 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,1|1,0,2]=4 452 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,1|1,0,2]=4 453 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,1|1,0,2]=4 454 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,1|1,0,2]=4 455 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,1|1,0,2]=4 456 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,1|1,0,2]=4 457 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,1|1,0,2]=4 458 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,1|1,0,2]=4 459 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,1|1,0,2]=4 460 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,1|1,0,2]=4 461 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,1|1,0,2]=4 462 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,1|1,0,2]=4 463 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,1|2,0,0]=3 464 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,1|2,0,1]=4 465 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,1|2,0,1]=4 466 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,1|2,0,1]=4 467 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,1|2,0,1]=4 468 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,1|2,0,1]=4 469 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,1|1,0,0]=2 470 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,1|1,0,2]=4 471 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,1|1,0,2]=4 472 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,1|1,0,2]=4 473 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,1|1,0,2]=4 474 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,1|0,0,2]=3 475 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,1|0,0,3]=4 476 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,1|1,0,2]=4 477 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,1|1,0,2]=4 478 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,1|0,0,3]=4 479 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,1|1,0,2]=4 480 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,1|1,0,2]=4 481 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,1|0,0,3]=4 482 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,1|0,0,3]=4 483 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,1|1,0,2]=4 484 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,1|1,0,2]=4 485 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,1|1,0,1]=3 486 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,1|1,0,2]=4 487 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,1|1,0,2]=4 488 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,1|1,0,2]=4 489 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,1|1,0,2]=4 490 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,1|1,0,2]=4 491 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,1|1,0,2]=4 492 B8R0.28 CN(C)C/C=C/B(O)O 2230a_100102631434_100016262062 [0,0,0,0,0,1|2,0,1]=4 493 B8R0.28 CN(C)C/C=C/B(O)O 269982a_100102631434_100016262062 [0,0,0,0,0,1|2,0,1]=4 494 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,1|2,0,0]=3 495 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,1|1,0,2]=4 496 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,1|1,0,2]=4 497 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,1|1,0,2]=4 498 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 499 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 500 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 501 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 502 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 503 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 504 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|2,0,0]=4 505 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|2,0,0]=4 506 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|2,0,0]=4 507 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,0]=3 508 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,0]=3 509 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,1]=4 510 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,1]=4 511 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,1]=4 512 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 513 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 514 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 515 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 516 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 517 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,1]=4 518 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|2,0,0]=4 519 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|2,0,0]=4 520 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|2,0,0]=4 521 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,1]=4 522 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 523 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 524 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 525 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 526 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 527 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,2]=4 530 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|1,0,1]=4 532 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|1,0,0]=3 533 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|1,0,0]=3 534 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.2 CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210202 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|0,0,2]=4 542 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,1]=4 543 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,2]=4 546 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,1]=4 549 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,2]=4 551 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|1,0,1]=4 553 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,1,0,0,0,0|1,0,0]=3 557 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [1,1,0,0,0,0|1,0,0]=3 558 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,1,0,0,0,0|1,0,0]=3 559 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 560 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,1,0,0,0,0|1,0,0]=3 561 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,2]=4 562 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 564 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,1]=4 565 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,1]=4 568 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.3 COC=CC(=O)CF 1458a_100016268678_100015361967 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|1,0,1]=4 575 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,1,0,0,0,0|1,0,1]=4 578 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,1,0,0,0,0|1,0,1]=4 579 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,1,0,0,0,0|1,0,1]=4 580 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,1,0,0,0,0|1,0,1]=4 581 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,1,0,0,0,0|1,0,1]=4 584 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,1,0,0,0,0|0,0,2]=4 585 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,1,0,0,0,0|0,0,2]=4 586 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,1,0,0,0,0|0,0,2]=4 587 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|0,0,2]=4 588 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|0,0,2]=4 589 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,0]=3 590 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,0]=3 591 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,0]=3 592 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 593 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,1,0,0,0,0|1,0,1]=4 594 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,1,0,0,0,0|2,0,0]=4 598 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,1,0,0,0,0|1,0,0]=3 600 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,2]=4 601 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,1]=4 602 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,1,0,0,0,0|1,0,0]=3 603 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,1,0,0,0,0|1,0,0]=3 604 B7R0.4 CNC/C=C/B(O)O 2230a_106832991635_100016262062 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.4 CNC/C=C/B(O)O 34a_100102657272_100016262062 [1,1,0,0,0,0|1,0,1]=4 606 B7R0.4 CNC/C=C/B(O)O 7a_106832991635_100016262062 [1,1,0,0,0,0|1,0,1]=4 607 B7R0.4 COC/C=C/B(O)O 34a_100138415774_100016262062 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,1,0,0,0,0|1,0,0]=3 609 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,1,0,0,0,0|1,0,0]=3 610 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.4 CSC/C=C/B(O)O 62a_100016262062_200000210301 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.4 CSC/C=C/B(O)O 62a_200000210301_100016262062 [1,1,0,0,0,0|1,0,1]=4 613 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,1]=4 614 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_100016262062_200025704644 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.4 [13CH3]SC/C=C/B(O)O 62a_200025704644_100016262062 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,1,0,0,0,0|1,0,0]=3 621 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,1,0,0,0,0|1,0,0]=3 622 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,1,0,0,0,0|1,0,0]=3 623 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|0,0,2]=4 624 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|0,0,2]=4 625 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|1,0,1]=4 626 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|1,0,0]=3 627 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|1,0,0]=3 628 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|1,0,0]=3 629 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [1,1,0,0,0,0|2,0,0]=4 642 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|1,0,1]=4 644 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,0,0,1,0|1,0,1]=4 648 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,1,0|1,0,1]=4 649 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,0,0,1,0|2,0,0]=4 650 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,0,0,1,0|2,0,0]=4 651 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,0,0,1,0|2,0,0]=4 652 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,0,0,1,0|2,0,0]=4 653 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,0,0,1,0|1,0,1]=4 654 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,1,0|1,0,1]=4 655 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,0,0,1,0|2,0,0]=4 656 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,0,0,1,0|2,0,0]=4 657 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,1,0|1,0,1]=4 658 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,1,0|2,0,0]=4 659 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,1,0|2,0,0]=4 660 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,1,0|2,0,0]=4 661 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,1,0|2,0,0]=4 662 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,1,0|1,0,1]=4 663 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,1,0|1,0,1]=4 664 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,1,0|1,0,1]=4 665 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,1,0,0,1,0|0,0,2]=4 666 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,1,0,0,1,0|1,0,1]=4 667 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,1,0,0,1,0|1,0,1]=4 668 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,1,0|1,0,1]=4 669 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,1,0|1,0,1]=4 670 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,1,0,0,1,0|2,0,0]=4 671 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,0,0,1,0|2,0,0]=4 672 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,1|0,0,2]=4 673 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,1|0,0,2]=4 674 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,1|1,0,0]=3 675 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,1|0,0,2]=4 676 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,1|0,0,2]=4 677 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,1|0,0,2]=4 678 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,1,0,0,0,1|1,0,1]=4 679 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,1|0,0,2]=4 680 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,1|0,0,2]=4 681 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,1|1,0,0]=3 682 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,1,0,0,0,1|2,0,0]=4 683 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,1,0,0,0,1|2,0,0]=4 684 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,0,0,0,1|2,0,0]=4 685 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,1|0,0,2]=4 686 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,1|1,0,1]=4 687 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,1|0,0,2]=4 688 B9R0.1 CN(C)CC=CC(=O)CF 1458a_100000754359_100015361967 [0,1,0,0,0,1|2,0,0]=4 689 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,1|1,0,0]=3 690 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,1|1,0,0]=3 691 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,1|1,0,0]=3 692 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,1,0,0,0,1|2,0,0]=4 693 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,1|1,0,0]=3 694 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,1|1,0,0]=3 695 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,1|1,0,0]=3 696 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,1|0,0,2]=4 697 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,1|0,0,2]=4 698 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,1|0,0,2]=4 699 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,1|0,0,2]=4 700 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,1|0,0,2]=4 701 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,1|0,0,2]=4 702 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,1|0,0,2]=4 703 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,1|0,0,2]=4 704 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,1|0,0,2]=4 705 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,1|0,0,2]=4 706 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,1|1,0,1]=4 707 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,1,0,0,0,1|1,0,1]=4 708 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,1|0,0,2]=4 709 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,0,0,0,1|1,0,1]=4 710 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,1|2,0,0]=4 711 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,1|2,0,0]=4 712 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,1|1,0,1]=4 713 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,1|1,0,1]=4 714 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,1|1,0,1]=4 715 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,1|1,0,1]=4 716 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,1|1,0,1]=4 717 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,1,0,0,0,1|2,0,0]=4 718 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,1|1,0,1]=4 719 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,1|1,0,1]=4 720 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,1|1,0,1]=4 721 B9R0.7 CC(=O)NN=C(C)C(C)C 4a_100000189765_100000211110 [0,1,0,0,0,1|2,0,0]=4 722 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,1,0,0,0,1|2,0,0]=4 723 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,1,0,0,0,1|2,0,0]=4 724 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,1|1,0,1]=4 725 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,1|1,0,1]=4 726 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,1|1,0,1]=4 727 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,1|1,0,1]=4 728 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 729 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 730 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,1,0,0,0,1|1,0,1]=4 731 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,1|1,0,1]=4 732 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,1|1,0,1]=4 733 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,1|1,0,1]=4 734 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,1|0,0,2]=4 735 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,1|0,0,2]=4 736 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,1|0,0,2]=4 737 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,1,0,0,0,1|2,0,0]=4 738 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,1,0,0,0,1|2,0,0]=4 739 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,1,0,0,0,1|1,0,1]=4 740 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,1,0,0,0,1|0,0,2]=4 741 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,1|2,0,0]=4 742 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,1|2,0,0]=4 743 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,1|2,0,0]=4 744 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 745 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 746 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,1,0,0,0,1|2,0,0]=4 747 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 748 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 749 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,1,0,0,0,1|2,0,0]=4 750 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,1,0,0,0,1|2,0,0]=4 751 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,1,0,0,0,1|2,0,0]=4 752 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,1|1,0,1]=4 753 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,1|1,0,1]=4 754 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,1,0,0,0,1|2,0,0]=4 755 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,1|1,0,1]=4 756 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,1|1,0,1]=4 757 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,1|0,0,2]=4 758 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,1|0,0,2]=4 759 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 1626a_100138425928_100000137448 [0,1,0,0,0,1|2,0,0]=4 760 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 240690a_100138425928_100000137448 [0,1,0,0,0,1|2,0,0]=4 761 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,1,0,0,0,1|1,0,1]=4 762 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,1,0,0,0,1|1,0,1]=4 763 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,1|0,0,2]=4 764 B9R0.56 CC(C)(C)NOCC(=O)O 269956a_100000106656_100000211941 [0,1,0,0,0,1|1,0,1]=4 765 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,1|0,0,2]=4 766 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,1|0,0,2]=4 767 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|0,0,2]=4 768 B9R0.21 CC(C)(C)CNC(=O)CO 240690a_100000743828_100000210174 [0,2,0,0,0,0|1,0,1]=4 769 B9R0.21 CC(C)(C)CNC(=O)CO 527a_100000743828_100000210174 [0,2,0,0,0,0|1,0,1]=4 770 B9R0.21 CC(C)(C)NNC(=O)CO 22a_100000725372_100000210174 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.21 CC(C)(F)CNC(=O)CO 240690a_100020643315_100000210174 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.21 CC(C)(F)CNC(=O)CO 527a_100020643315_100000210174 [0,2,0,0,0,0|1,0,1]=4 773 B9R0.21 CC(C)(O)CNC(=O)CO 240690a_100000751335_100000210174 [0,2,0,0,0,0|1,0,1]=4 774 B9R0.21 CC(C)(O)CNC(=O)CO 527a_100000751335_100000210174 [0,2,0,0,0,0|1,0,1]=4 775 B9R0.21 COC(=O)CNC(C)(C)C 2230a_100000715429_100000747449 [0,2,0,0,0,0|1,0,1]=4 776 B9R0.21 COC(=O)COC(C)(C)C 34a_100015890283_100000747449 [0,2,0,0,0,0|1,0,1]=4 777 B9R0.21 COC(=O)COC(C)(C)C 7a_100015890283_100000747449 [0,2,0,0,0,0|1,0,1]=4 778 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000211941_100000747449 [0,2,0,0,0,0|1,0,1]=4 779 B9R0.21 COC(=O)CSC(C)(C)C 62a_100000747449_100000211941 [0,2,0,0,0,0|1,0,1]=4 780 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|0,0,2]=4 781 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,2,0,0,0,0|1,0,1]=4 782 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,2,0,0,0,0|1,0,1]=4 783 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_100000183865_200025704644 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_200025704644_100000183865 [0,2,0,0,0,0|2,0,0]=4 786 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,2,0,0,0,0|2,0,0]=4 787 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.23 CCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000758301 [0,2,0,0,0,0|2,0,0]=4 791 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,2,0,0,0,0|1,0,1]=4 792 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,2,0,0,0,0|1,0,1]=4 793 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,2,0,0,0,0|0,0,2]=4 794 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,2,0,0,0,0|1,0,1]=4 795 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,2,0,0,0,0|1,0,1]=4 796 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 797 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.23 CNC(C)C(=O)NC(=O)N 2230a_106832991635_100000183865 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.23 CNC(C)C(=O)NC(=O)N 7a_106832991635_100000183865 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,2,0,0,0,0|1,0,0]=3 805 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,2,0,0,0,0|1,0,0]=3 806 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,2,0,0,0,0|1,0,0]=3 807 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,2,0,0,0,0|1,0,0]=3 808 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,2,0,0,0,0|1,0,1]=4 809 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,2,0,0,0,0|1,0,1]=4 810 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,2,0,0,0,0|1,0,1]=4 811 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,2,0,0,0,0|1,0,1]=4 812 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,2,0,0,0,0|1,0,1]=4 813 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,2,0,0,0,0|1,0,1]=4 814 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,2,0,0,0,0|1,0,1]=4 815 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,2,0,0,0,0|0,0,2]=4 816 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,2,0,0,0,0|1,0,1]=4 817 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,2,0,0,0,0|1,0,1]=4 818 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,2,0,0,0,0|0,0,2]=4 819 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_100000183865_200000210301 [0,2,0,0,0,0|2,0,0]=4 820 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_200000210301_100000183865 [0,2,0,0,0,0|2,0,0]=4 821 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,2,0,0,0,0|1,0,1]=4 822 B9R0.24 CC(CO)CNC(=O)CO 240690a_100000744482_100000210174 [0,2,0,0,0,0|1,0,1]=4 823 B9R0.24 CC(CO)CNC(=O)CO 527a_100000744482_100000210174 [0,2,0,0,0,0|1,0,1]=4 824 B9R0.24 CC=C(C)C=CC(=O)CC 1458a_100000692105_100000210202 [0,2,0,0,0,0|1,0,1]=4 825 B9R0.24 CC=C(C)C=CC(=O)CF 1458a_100000692105_100015361967 [0,2,0,0,0,0|1,0,1]=4 826 B9R0.24 CC=C(C)C=CC(=O)NC 1626a_100102657272_100000692105 [0,2,0,0,0,0|1,0,1]=4 827 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [0,2,0,0,0,0|1,0,1]=4 828 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [0,2,0,0,0,0|1,0,1]=4 829 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [0,2,0,0,0,0|1,0,1]=4 830 B9R0.24 CCC(C)NNC(=O)CO 22a_100000718999_100000210174 [0,2,0,0,0,0|2,0,0]=4 831 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [0,2,0,0,0,0|1,0,1]=4 832 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [0,2,0,0,0,0|1,0,1]=4 833 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [0,2,0,0,0,0|1,0,1]=4 834 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,2,0,0,0,0|1,0,1]=4 835 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [0,2,0,0,0,0|1,0,1]=4 836 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [0,2,0,0,0,0|1,0,1]=4 837 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [0,2,0,0,0,0|1,0,1]=4 838 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [0,2,0,0,0,0|1,0,1]=4 839 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [0,2,0,0,0,0|1,0,1]=4 840 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [0,2,0,0,0,0|1,0,1]=4 841 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [0,2,0,0,0,0|1,0,1]=4 842 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [0,2,0,0,0,0|1,0,1]=4 843 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [0,2,0,0,0,0|1,0,1]=4 844 B9R0.24 CO[C@H](C)CNC(=O)CO 240690a_100020591295_100000210174 [0,2,0,0,0,0|1,0,1]=4 845 B9R0.24 CO[C@H](C)CNC(=O)CO 527a_100020591295_100000210174 [0,2,0,0,0,0|1,0,1]=4 846 B9R0.42 C#CC(=O)CC(=O)C(C)C 1458a_100000211873_100000753385 [0,2,0,0,0,0|1,0,1]=4 847 B9R0.42 C=CC(=O)CC(=O)C(C)C 1458a_100000185746_100000753385 [0,2,0,0,0,0|1,0,1]=4 848 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,2,0,0,0,0|0,0,1]=3 849 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,2,0,0,0,0|1,0,1]=4 850 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,2,0,0,0,0|1,0,1]=4 851 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,2,0,0,0,0|1,0,1]=4 853 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,2,0,0,0,0|1,0,1]=4 854 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,2,0,0,0,0|2,0,0]=4 857 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,2,0,0,0,0|1,0,1]=4 858 B9R0.42 CN(C)C(=O)CC(=O)CO 1458a_100000210174_100000185267 [0,2,0,0,0,0|1,0,1]=4 859 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,2,0,0,0,0|1,0,1]=4 860 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,2,0,0,0,0|0,0,1]=3 861 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,2,0,0,0,0|0,0,1]=3 862 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,2,0,0,0,0|1,0,1]=4 863 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,2,0,0,0,0|1,0,1]=4 864 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,2,0,0,0,0|1,0,1]=4 865 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,2,0,0,0,0|1,0,1]=4 866 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,2,0,0,0,0|1,0,1]=4 867 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,2,0,0,0,0|1,0,1]=4 868 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,2,0,0,0,0|1,0,1]=4 869 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,2,0,0,0,0|2,0,0]=4 870 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,2,0,0,0,0|1,0,1]=4 872 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,2,0,0,0,0|1,0,1]=4 873 B9R0.48 C#CCC(=O)C=CC(C)C 1458a_100016268746_100000184674 [0,2,0,0,0,0|1,0,0]=3 874 B9R0.48 C=CCC(=O)C=CC(C)C 1458a_100016268746_100000210623 [0,2,0,0,0,0|1,0,0]=3 875 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 876 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 877 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,2,0,0,0,0|1,0,1]=4 878 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,2,0,0,0,0|1,0,1]=4 879 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,2,0,0,0,0|1,0,1]=4 880 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,2,0,0,0,0|0,0,2]=4 881 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,2,0,0,0,0|0,0,2]=4 882 B9R0.48 CC(C)C=CC(=O)CC#N 1458a_100016268746_100011214920 [0,2,0,0,0,0|1,0,0]=3 883 B9R0.48 CC(C)C=CC(=O)CCF 1458a_100016268746_100011217306 [0,2,0,0,0,0|1,0,0]=3 884 B9R0.48 CC(C)C=CC(=O)CCO 1458a_100016268746_100000211926 [0,2,0,0,0,0|0,0,0]=2 885 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|0,0,2]=4 886 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|0,0,2]=4 887 B9R0.48 CC(C)CNC(=O)CCO 240690a_100000210953_100011216618 [0,2,0,0,0,0|1,0,1]=4 888 B9R0.48 CC(C)NCC(=O)NCO 2230a_100138425928_100000185155 [0,2,0,0,0,0|1,0,1]=4 889 B9R0.48 CC(C)NCC(=O)NCO 34a_100138425928_100000185155 [0,2,0,0,0,0|1,0,1]=4 890 B9R0.48 CC(C)NNC(=O)CCO 22a_100000741168_100011216618 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.48 CC(C)OCC(=O)CCO 1458a_100000745533_100000211926 [0,2,0,0,0,0|1,0,1]=4 892 B9R0.48 CC(C)OCC(=O)NCO 34a_100000212225_100000185155 [0,2,0,0,0,0|1,0,1]=4 893 B9R0.48 CC(C)SCC(=O)CCO 1458a_100000241585_100000211926 [0,2,0,0,0,0|1,0,1]=4 894 B9R0.48 CC(C)SCC(=O)NCO 62a_100000185155_100000210206 [0,2,0,0,0,0|1,0,1]=4 895 B9R0.48 CC(C)SCC(=O)NCO 62a_100000210206_100000185155 [0,2,0,0,0,0|1,0,1]=4 896 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,2,0,0,0,0|1,0,1]=4 897 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,2,0,0,0,0|1,0,1]=4 898 B9R0.48 CCCC(=O)C=CC(C)C 1458a_100016268746_100000210303 [0,2,0,0,0,0|1,0,0]=3 899 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,2,0,0,0,0|1,0,1]=4 900 B9R0.48 CCNC(=O)C=CC(C)C 11a_100015525214_100016268746 [0,2,0,0,0,0|1,0,0]=3 901 B9R0.48 CCNC(=O)C=CC(C)C 240690a_100015525214_100016268746 [0,2,0,0,0,0|1,0,0]=3 902 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|1,0,1]=4 903 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|1,0,1]=4 904 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [0,2,0,0,0,0|1,0,1]=4 905 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [0,2,0,0,0,0|1,0,1]=4 906 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [0,2,0,0,0,0|1,0,1]=4 907 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [0,2,0,0,0,0|1,0,1]=4 908 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [0,2,0,0,0,0|1,0,1]=4 909 B9R0.48 CNNC(=O)C=CC(C)C 22a_100016993582_100016268746 [0,2,0,0,0,0|1,0,0]=3 910 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|0,0,2]=4 911 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|0,0,2]=4 912 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [0,2,0,0,0,0|1,0,1]=4 913 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [0,2,0,0,0,0|1,0,1]=4 914 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [0,2,0,0,0,0|1,0,1]=4 915 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [0,2,0,0,0,0|1,0,1]=4 916 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [0,2,0,0,0,0|1,0,1]=4 917 B9R0.48 COCC(=O)NNC(C)C 22a_100000741168_100000210968 [0,2,0,0,0,0|2,0,0]=4 918 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,2,0,0,0,0|1,0,1]=4 919 B9R0.64 C#CC(C)(C)NCC(=O)O 269956a_100016091260_100000038118 [0,2,0,0,0,0|1,0,1]=4 920 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,2,0,0,0,0|1,0,1]=4 921 B9R0.10 CC(=CC(=O)[13CH3])C(C)(C)C 1458a_100020591210_200025704644 [0,2,0,0,0,0|1,0,0]=3 922 B9R0.10 CC(=O)C=C(C)C(C)(C)C 1458a_100020591210_200000210301 [0,2,0,0,0,0|1,0,0]=3 923 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,2,0,0,0,0|1,0,1]=4 924 B9R0.10 CC(C)(C)C(=O)CC(=O)N 1458a_106744555173_100000187820 [0,2,0,0,0,0|1,0,1]=4 925 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [0,2,0,0,0,0|0,0,2]=4 926 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,2,0,0,0,0|1,0,1]=4 927 B9R0.10 CC(C)(F)C(=O)CC(=O)N 1458a_100000765255_100000187820 [0,2,0,0,0,0|1,0,1]=4 928 B9R0.10 CC(C)(F)C(=O)CC(=O)[O-] 1458a_100000765255_100020667443 [0,2,0,0,0,0|0,0,2]=4 929 B9R0.10 CC(C)(O)C(=O)CC(=O)N 1458a_100000242741_100000187820 [0,2,0,0,0,0|1,0,1]=4 930 B9R0.10 CC(C)(O)C(=O)CC(=O)[O-] 1458a_100000242741_100020667443 [0,2,0,0,0,0|0,0,2]=4 931 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,2,0,0,0,0|1,0,1]=4 932 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,2,0,0,0,0|1,0,1]=4 933 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,2,0,0,0,0|1,0,1]=4 934 B9R0.39 CC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_200000210301 [0,2,0,0,0,0|1,0,0]=3 935 B9R0.39 CC(C)/C=C(\C#N)/C(=O)[13CH3] 1458a_200042966509_200025704644 [0,2,0,0,0,0|1,0,0]=3 936 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,2,0,0,0,0|0,0,2]=4 937 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,2,0,0,0,0|1,0,1]=4 938 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,2,0,0,0,0|1,0,1]=4 939 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,2,0,0,0,0|1,0,1]=4 940 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,2,0,0,0,0|0,0,2]=4 941 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,2,0,0,0,0|2,0,0]=4 942 B9R0.57 CC(C)(C)NC(=O)C(=O)N 240690a_100000715429_100011215815 [0,2,0,0,0,0|2,0,0]=4 943 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,2,0,0,0,0|2,0,0]=4 944 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,2,0,0,0,0|1,0,1]=4 945 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,2,0,0,0,0|1,0,1]=4 946 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,2,0,0,0,0|1,0,1]=4 947 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,2,0,0,0,0|1,0,1]=4 948 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,2,0,0,0,0|1,0,1]=4 949 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,2,0,0,0,0|0,0,2]=4 950 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,2,0,0,0,0|2,0,0]=4 951 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,2,0,0,0,0|1,0,1]=4 952 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [1,0,0,1,0,0|0,1,1]=4 953 B7R1.2 Cn1ccc(n1)O 271570a_203496583355_100000752436 [1,0,0,1,0,0|2,0,0]=4 954 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|1,0,1]=4 955 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|1,0,1]=4 956 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [0,0,0,1,0,1|0,1,0]=3 957 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [0,0,0,1,0,1|1,0,0]=3 958 B9R1.35 CC(C)c1nnc(s1)O 271570a_203496583355_100000687747 [0,0,0,1,0,1|1,1,0]=4 959 B9R1.35 CC(C)c1noc(n1)O 270196a_100000210513_100015183105 [0,0,0,1,0,1|2,0,0]=4 960 B9R1.35 CC(C)n1cc(cn1)O 271570a_203496583355_100012073297 [0,0,0,1,0,1|2,0,0]=4 961 B9R1.35 CC(C)n1ccc(n1)O 271570a_203496583355_100012351941 [0,0,0,1,0,1|1,0,0]=3 962 B9R1.35 CC(C)n1cnc(c1)O 271570a_203496583355_100010368367 [0,0,0,1,0,1|2,0,0]=4 963 B9R1.35 CC(N)c1cc(cs1)O 271570a_203496583355_100159270200 [0,0,0,1,0,1|2,0,0]=4 964 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,0,0,1,0,1|1,1,0]=4 965 B9R1.35 CN(C)c1nc(cs1)O 271570a_203496583355_100012356714 [0,0,0,1,0,1|2,0,0]=4 966 B9R1.35 CN(C)c1ncc(s1)O 271570a_203496583355_100012356744 [0,0,0,1,0,1|1,1,0]=4 967 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,0,0,1,0,1|2,0,0]=4 968 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,1|0,0,2]=4 969 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,1|1,0,1]=4 970 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [0,1,0,1,0,0|1,0,1]=4 971 B9R1.69 Cc1ccc(nc1C)O 271570a_203496583355_100000103781 [0,1,0,1,0,0|1,0,1]=4 972 B9R1.69 Cn1ccc(=O)c(c1)O 271570a_203496583355_100010750718 [0,1,0,1,0,0|1,0,1]=4 973 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [0,1,0,1,0,0|1,0,0]=3 974 B9R1.80 CNC(=O)C=CC1CC1 11a_106832991635_100102529529 [0,1,0,1,0,0|1,0,0]=3 975 B9R1.80 CNC(=O)C=CC1CC1 1626a_100102657272_100102529529 [0,1,0,1,0,0|1,0,0]=3 976 B9R1.80 CNC(=O)C=CC1CC1 240690a_100102657272_100102529529 [0,1,0,1,0,0|1,0,0]=3 977 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [0,1,0,1,0,0|1,0,1]=4 978 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [0,1,0,1,0,0|1,0,1]=4 979 B9R1.80 O=C(C=CC1CC1)CF 1458a_100102529529_100015361967 [0,1,0,1,0,0|1,0,0]=3 980 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|0,0,2]=4 981 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [0,1,0,1,0,0|1,0,1]=4 982 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [0,1,0,1,0,0|1,0,1]=4 983 B9R1.80 O=C(CO)NNC1CC1 22a_100000701032_100000210174 [0,1,0,1,0,0|2,0,0]=4 984 B9R1.82 CC1CN(C1)C(=O)CO 240690a_100000702820_100000210174 [0,1,0,1,0,0|1,0,1]=4 985 B9R1.82 CC1CN(C1)C(=O)CO 527a_100000702820_100000210174 [0,1,0,1,0,0|1,0,1]=4 986 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,1,0,1,0,0|1,0,1]=4 987 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,1,0,1,0,0|1,0,1]=4 988 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|0,0,2]=4 989 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|0,0,2]=4 990 B9R1.133 CNC1C=CS(=O)(=O)C1 2230a_100000687631_200000210301 [0,1,0,1,0,0|1,0,1]=4 991 B9R1.133 CNC1C=CS(=O)(=O)C1 2230a_106832991635_100000702656 [0,1,0,1,0,0|1,0,1]=4 992 B9R1.133 CNC1C=CS(=O)(=O)C1 34a_100000687631_200000210301 [0,1,0,1,0,0|1,0,1]=4 993 B9R1.133 COC1C=CS(=O)(=O)C1 34a_100000012158_200000210301 [0,1,0,1,0,0|1,0,1]=4 994 B9R1.133 CSC1C=CS(=O)(=O)C1 62a_100000702656_200000210301 [0,1,0,1,0,0|1,0,1]=4 995 B9R1.133 CSC1C=CS(=O)(=O)C1 62a_200000210301_100000011004 [0,1,0,1,0,0|1,0,1]=4 996 B9R1.133 [13CH3]NC1C=CS(=O)(=O)C1 2230a_100000687631_200025704644 [0,1,0,1,0,0|1,0,1]=4 997 B9R1.133 [13CH3]NC1C=CS(=O)(=O)C1 34a_100000687631_200025704644 [0,1,0,1,0,0|1,0,1]=4 998 B9R1.133 [13CH3]OC1C=CS(=O)(=O)C1 34a_100000012158_200025704644 [0,1,0,1,0,0|1,0,1]=4 999 B9R1.133 [13CH3]SC1C=CS(=O)(=O)C1 62a_100000702656_200025704644 [0,1,0,1,0,0|1,0,1]=4 1000 B9R1.133 [13CH3]SC1C=CS(=O)(=O)C1 62a_200025704644_100000011004 [0,1,0,1,0,0|1,0,1]=4 1001 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,1,0,1,0,0|2,0,0]=4 1002 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,1,0,1,0,0|1,0,1]=4 1003 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,1,0,1,0,0|2,0,0]=4 1004 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,1,0,1,0,0|1,0,0]=3 1006 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,1,0,1,0,0|1,0,0]=3 1007 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,1,0,1,0,0|1,0,1]=4 1008 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,1,0,1,0,0|1,0,1]=4 1009 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,1,0,1,0,0|1,0,1]=4 1010 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,1,0,1,0,0|0,0,2]=4 1011 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,0,0,2,0|1,0,0]=3 1012 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,0,0,2,0|1,0,0]=3 1013 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,0,0,2,0|2,0,0]=4 1014 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 1015 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 1016 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,0,0,2,0|2,0,0]=4 1017 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,0,0,2,0|2,0,0]=4 1018 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,2,0|2,0,0]=4 1019 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,2,0|2,0,0]=4 1020 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,0,0,2,0|1,0,0]=3 1021 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,0,0,2,0|2,0,0]=4 1022 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,2,0|2,0,0]=4 1023 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,2,0|2,0,0]=4 1024 B9R0.55 CC(=CC=NNC(C)C)C 4a_100000741168_100011215525 [0,0,0,0,0,2|2,0,0]=4 1025 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,2|0,0,2]=4 1026 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [0,0,0,0,0,2|1,0,1]=4 1027 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,0,0,0,0,2|1,0,1]=4 1028 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,2|0,0,2]=4 1029 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,2|0,0,2]=4 1030 B9R0.55 CC(C)NC/C=C/B(O)O 2230a_100138425928_100016262062 [0,0,0,0,0,2|1,0,1]=4 1031 B9R0.55 CC(C)NC/C=C/B(O)O 34a_100138425928_100016262062 [0,0,0,0,0,2|1,0,1]=4 1032 B9R0.55 CC(C)OC/C=C/B(O)O 34a_100000212225_100016262062 [0,0,0,0,0,2|1,0,1]=4 1033 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,2|0,0,2]=4 1034 B9R0.55 CC(C)SC/C=C/B(O)O 62a_100000210206_100016262062 [0,0,0,0,0,2|1,0,1]=4 1035 B9R0.55 CC(C)SC/C=C/B(O)O 62a_100016262062_100000210206 [0,0,0,0,0,2|1,0,1]=4