0 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [0,0,0,0,0,0|4,0,0]=4 35 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [0,0,0,0,0,0|2,1,1]=4 46 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [0,0,0,0,0,0|2,1,1]=4 47 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [0,0,0,0,0,0|2,0,1]=3 48 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [0,0,0,0,0,0|3,0,0]=3 51 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [0,0,0,0,0,0|4,0,0]=4 56 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [0,0,0,0,0,0|4,0,0]=4 58 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [0,0,0,0,0,0|4,0,0]=4 61 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [0,0,0,0,0,0|3,0,0]=3 65 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [0,0,0,0,0,0|4,0,0]=4 68 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [0,0,0,0,0,0|4,0,0]=4 70 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [0,0,0,0,0,0|4,0,0]=4 72 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [0,0,0,0,0,0|4,0,0]=4 76 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 84 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|3,0,0]=4 90 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|3,0,0]=4 105 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|3,0,0]=4 118 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|1,1,1]=4 120 B4R0.2 CCOCF 34a_100121572206_100015361967 [1,0,0,0,0,0|1,1,1]=4 121 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.2 CCSCF 62a_100000210202_100015361967 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.2 CCSCF 62a_100015361967_100000210202 [1,0,0,0,0,0|1,0,1]=3 124 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|3,0,0]=4 126 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|3,0,0]=4 127 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|3,0,0]=4 128 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|3,0,0]=4 130 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|3,0,0]=4 131 B4R0.2 FCSCF 62a_100015361967_100015361967 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,1,0,0,0,0|3,0,0]=4 138 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,1,0,0,0,0|3,0,0]=4 139 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,1,0,0,0,0|2,0,1]=4 141 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,1,0,0,0,0|3,0,0]=4 144 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,1,0,0,0,0|3,0,0]=4 146 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,1,0,0,0,0|3,0,0]=4 147 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 159 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,1,0,0,0,0|3,0,0]=4 160 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 161 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,1,0,0,0,0|2,0,0]=3 164 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,1,0,0,0,0|2,0,0]=3 166 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|1,1,1]=4 169 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,1,0,0,0,0|1,0,2]=4 170 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.1 CCSC(F)C#N 62a_100000210202_200000117898 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.1 CCSC(F)C#N 62a_200000117898_100000210202 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|3,0,0]=4 183 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|3,0,0]=4 184 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|3,0,0]=4 185 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|3,0,0]=4 189 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,1,0,0,0,0|3,0,0]=4 193 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,1,0,0,0,0|3,0,0]=4 195 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,1,0,0,0,0|3,0,0]=4 197 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,1,0,0,0,0|3,0,0]=4 198 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,1,0,0,0,0|3,0,0]=4 201 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,1,0,0,0,0|3,0,0]=4 202 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,1,0,0,0,0|3,0,0]=4 204 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,1,0,0,0,0|2,0,1]=4 205 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,1,0,0,0,0|3,0,0]=4 207 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,1,0,0,0,0|3,0,0]=4 208 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,1,0,0,0,0|3,0,0]=4 209 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 211 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,1,0,0,0,0|3,0,0]=4 213 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,1,0,0,0,0|3,0,0]=4 214 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,1,0,0,0,0|3,0,0]=4 215 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,1,0,0,0,0|3,0,0]=4 219 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,1,0,0,0,0|3,0,0]=4 220 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,1,0,0,0,0|3,0,0]=4 221 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|3,0,0]=4 224 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|3,0,0]=4 225 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|3,0,0]=4 226 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|3,0,0]=4 227 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|3,0,0]=4 229 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|3,0,0]=4 230 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 232 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 238 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,1,0,0,0,0|3,0,0]=4 239 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,1,0,0,0,0|3,0,0]=4 240 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|3,0,0]=4 245 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,1,0,0,0,0|3,0,0]=4 258 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,1,0,0,0,0|3,0,0]=4 266 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,1,0,0,0,0|3,0,0]=4 267 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,1,0,0,0,0|3,0,0]=4 269 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,1,0,0,0,0|3,0,0]=4 270 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,1,0,0,0,0|2,1,0]=4 271 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,1,0,0,0,0|2,1,0]=4 272 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,1,0,0,0,0|3,0,0]=4 276 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,1,0,0,0,0|2,1,0]=4 278 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,1,0,0,0,0|2,1,0]=4 279 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,1,0,0,0,0|2,0,0]=3 280 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,1,0,0,0,0|2,0,0]=3 281 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,1,0,0,0,0|3,0,0]=4 287 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,1,0,0,0,0|3,0,0]=4 295 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,1,0,0,0,0|3,0,0]=4 297 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,1,0,0,0,0|3,0,0]=4 299 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,1,0,0,0,0|2,1,0]=4 300 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,1,0,0,0,0|2,1,0]=4 301 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,1,0,0,0,0|2,0,1]=4 304 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,1,0,0,0,0|3,0,0]=4 309 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,1,0,0,0,0|3,0,0]=4 310 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,1,0,0,0,0|3,0,0]=4 311 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,1,0,0,0,0|3,0,0]=4 312 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,1,0,0,0,0|3,0,0]=4 313 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,1,0,0,0,0|3,0,0]=4 314 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,1,0,0,0,0|3,0,0]=4 315 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,1,0,0,0,0|3,0,0]=4 316 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,1,0,0,0,0|3,0,0]=4 322 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,1,0,0,0,0|2,1,0]=4 323 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,1,0,0,0,0|2,1,0]=4 324 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,1,0,0,0,0|1,1,0]=3 325 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,1,0,0,0,0|2,1,0]=4 326 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,1,0,0,0,0|2,1,0]=4 327 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,1,0,0,0,0|1,1,1]=4 328 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,1,0,0,0,0|1,0,0]=2 330 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,1,0,0,0,0|1,0,0]=2 331 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,1,0,0,0,0|2,0,0]=3 334 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,1,0,0,0,0|2,0,1]=4 339 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,1,0,0,0,0|3,0,0]=4 343 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,1,0,0,0,0|3,0,0]=4 344 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,1,0,0,0,0|3,0,0]=4 345 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,1,0,0,0,0|3,0,0]=4 346 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,1,0,0,0,0|3,0,0]=4 347 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,1,0,0,0,0|3,0,0]=4 348 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,1,0,0,0,0|2,0,0]=3 349 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,1,0,0,0,0|2,0,0]=3 350 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,1,0,0,0,0|2,1,0]=4 352 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,1,0,0,0,0|3,0,0]=4 353 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,1,0,0,0,0|3,0,0]=4 354 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,1,0,0,0,0|3,0,0]=4 355 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,1,0,0,0,0|3,0,0]=4 356 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,1,0,0,0,0|3,0,0]=4 362 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,1,0,0,0,0|2,0,1]=4 363 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,1,0,0,0,0|2,1,0]=4 364 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,1,0,0,0,0|3,0,0]=4 367 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,1,0,0,0,0|3,0,0]=4 368 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,1,0,0,0,0|3,0,0]=4 369 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,1,0,0,0,0|3,0,0]=4 371 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,1,0,0,0,0|3,0,0]=4 372 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,1,0,0,0,0|3,0,0]=4 375 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,1,0,0,0,0|2,1,0]=4 376 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,1,0,0,0,0|2,1,0]=4 377 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,1,0,0,0,0|2,0,1]=4 378 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,1,0,0,0,0|2,0,1]=4 379 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|2,0,1]=4 380 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,1,0,0,0,0|2,0,0]=3 381 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,1,0,0,0,0|2,0,0]=3 382 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,1,0,0,0,0|3,0,0]=4 383 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,1,0,0,0,0|3,0,0]=4 384 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,1,0,0,0,0|2,0,0]=3 385 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,1,0,0,0,0|2,0,0]=3 386 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,1,0,0,0,0|2,0,0]=3 387 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.5 CCSC(C)(C)C 62a_100000210202_100000211941 [0,1,0,0,0,0|2,0,1]=4 389 B6R0.5 CCSC(C)(C)C 62a_100000211941_100000210202 [0,1,0,0,0,0|2,0,1]=4 390 B6R0.5 CCSC(F)(F)F 62a_100000210202_200103152311 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.5 CCSC(F)(F)F 62a_200000243211_100000210202 [0,1,0,0,0,0|2,0,1]=4 392 B6R1.2 Oc1nccs1 271570a_203496583355_100000211983 [0,0,0,1,0,0|1,0,2]=4 393 B6R1.2 Oc1ncns1 271570a_203496583355_100000693119 [0,0,0,1,0,0|2,0,1]=4 394 B6R1.2 Oc1nncs1 271570a_203496583355_100000739804 [0,0,0,1,0,0|2,0,1]=4 395 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [0,0,0,1,0,0|2,0,1]=4 396 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [0,0,0,1,0,0|3,0,0]=4 397 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [0,0,0,1,0,0|3,0,0]=4 398 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,1]=4 399 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 400 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,1]=4 401 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,1]=4 402 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,1]=4 403 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|0,1,1]=4 404 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|0,1,1]=4 405 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|0,1,1]=4 406 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|0,0,1]=3 407 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|0,0,1]=3 408 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|0,0,1]=3 409 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|0,0,1]=3 410 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|1,0,1]=4 411 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|2,0,0]=4 415 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,1,0,0,0,0|2,0,0]=4 417 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,1,0,0,0,0|2,0,0]=4 418 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,1,0,0,0,0|2,0,0]=4 419 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,1,0,0,0,0|2,0,0]=4 420 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,1,0,0,0,0|2,0,0]=4 421 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,1,0,0,0,0|1,0,0]=3 422 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 423 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 424 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,1,0,0,0,0|1,0,0]=3 425 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,1,0,0,0,0|1,0,1]=4 430 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,1,0,0,0,0|2,0,0]=4 431 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,1,0,0,0,0|2,0,0]=4 433 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,1,0,0,0,0|2,0,0]=4 434 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,1,0,0,0,0|2,0,0]=4 435 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|2,0,0]=4 438 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|2,0,0]=4 439 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|2,0,0]=4 441 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|2,0,0]=4 442 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|2,0,0]=4 443 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|2,0,0]=4 447 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|2,0,0]=4 448 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|2,0,0]=4 449 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|2,0,0]=4 452 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|2,0,0]=4 454 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,1,0,0,0,0|2,0,0]=4 456 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,1,0,0,0,0|2,0,0]=4 457 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|2,0,0]=4 460 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|2,0,0]=4 461 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|2,0,0]=4 462 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,1,0,0,0,0|2,0,0]=4 464 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,1,0,0,0,0|2,0,0]=4 465 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,1,0,0,0,0|2,0,0]=4 466 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,1,0,0,0,0|2,0,0]=4 467 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,1,0]=4 469 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,1,0]=4 470 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,1,0,0,0,0|1,0,0]=3 471 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,1,0,0,0,0|1,0,0]=3 472 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,1,0,0,0,0|2,0,0]=4 473 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,1,0,0,0,0|2,0,0]=4 474 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 475 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|2,0,0]=4 478 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|2,0,0]=4 480 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|2,0,0]=4 481 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|2,0,0]=4 482 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,1,0,0,0,0|2,0,0]=4 483 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|1,0,1]=4 484 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,1,0,0,0,0|2,0,0]=4 495 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|1,1,0]=4 496 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|0,1,1]=4 497 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,1,0,0,0,0|0,0,2]=4 498 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,1,0,0,0,0|0,0,2]=4 499 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,1,0,0,0,0|1,0,0]=3 500 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,1,0,0,0,0|1,0,0]=3 501 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,1,0,0,0,0|1,0,1]=4 502 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,1,0,0,0,0|1,0,1]=4 504 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|1,0,1]=4 506 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|1,0,1]=4 507 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,1]=4 510 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,1,0,0,0,0|1,0,1]=4 512 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,1,0,0,0,0|1,0,1]=4 513 B5R0.2 CSCSC#N 62a_100000211825_200000210301 [1,1,0,0,0,0|0,0,2]=4 514 B5R0.2 CSCSC#N 62a_200000210301_100000211825 [1,1,0,0,0,0|0,0,2]=4 515 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,1,0,0,0,0|1,0,1]=4 516 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,1,0,0,0,0|1,0,1]=4 517 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,1,0,0,0,0|1,0,1]=4 518 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,1,0,0,0,0|1,0,1]=4 523 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,1]=4 524 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|2,0,0]=4 525 B5R0.2 [13CH3]SCSC#N 62a_100000211825_200025704644 [1,1,0,0,0,0|0,0,2]=4 526 B5R0.2 [13CH3]SCSC#N 62a_200025704644_100000211825 [1,1,0,0,0,0|0,0,2]=4 527 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,2,0,0,0,0|2,0,0]=4 528 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,2,0,0,0,0|2,0,0]=4 529 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,2,0,0,0,0|2,0,0]=4 532 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,2,0,0,0,0|2,0,0]=4 537 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,2,0,0,0,0|2,0,0]=4 539 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,2,0,0,0,0|2,0,0]=4 541 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.3 C=C(C#N)CSCC 62a_100000210202_100000694840 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,2,0,0,0,0|2,0,0]=4 547 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,2,0,0,0,0|2,0,0]=4 549 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,2,0,0,0,0|2,0,0]=4 551 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,2,0,0,0,0|2,0,0]=4 557 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,2,0,0,0,0|1,1,0]=4 562 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,2,0,0,0,0|1,1,0]=4 563 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,2,0,0,0,0|1,1,0]=4 564 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,2,0,0,0,0|1,1,0]=4 565 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,2,0,0,0,0|1,1,0]=4 566 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,2,0,0,0,0|1,1,0]=4 567 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,2,0,0,0,0|2,0,0]=4 569 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,2,0,0,0,0|2,0,0]=4 571 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 573 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,2,0,0,0,0|2,0,0]=4 582 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,2,0,0,0,0|2,0,0]=4 584 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,2,0,0,0,0|2,0,0]=4 586 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,2,0,0,0,0|2,0,0]=4 593 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,2,0,0,0,0|2,0,0]=4 595 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,2,0,0,0,0|2,0,0]=4 596 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,2,0,0,0,0|2,0,0]=4 598 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,2,0,0,0,0|2,0,0]=4 599 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,2,0,0,0,0|2,0,0]=4 600 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,2,0,0,0,0|2,0,0]=4 601 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,2,0,0,0,0|2,0,0]=4 603 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,2,0,0,0,0|2,0,0]=4 605 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,2,0,0,0,0|2,0,0]=4 606 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,2,0,0,0,0|2,0,0]=4 607 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,2,0,0,0,0|2,0,0]=4 608 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,2,0,0,0,0|2,0,0]=4 609 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,2,0,0,0,0|2,0,0]=4 611 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,2,0,0,0,0|2,0,0]=4 612 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,2,0,0,0,0|2,0,0]=4 615 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 619 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,2,0,0,0,0|2,0,0]=4 620 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,2,0,0,0,0|2,0,0]=4 621 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,2,0,0,0,0|2,0,0]=4 622 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,2,0,0,0,0|2,0,0]=4 623 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,2,0,0,0,0|2,0,0]=4 624 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,2,0,0,0,0|2,0,0]=4 626 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|1,1,0]=4 627 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,2,0,0,0,0|1,1,0]=4 628 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|1,1,0]=4 629 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|1,1,0]=4 630 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|2,0,0]=4 632 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|2,0,0]=4 633 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,2,0,0,0,0|1,0,0]=3 635 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 645 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,2,0,0,0,0|2,0,0]=4 651 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,2,0,0,0,0|2,0,0]=4 653 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 657 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,2,0,0,0,0|2,0,0]=4 660 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,2,0,0,0,0|1,1,0]=4 662 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,2,0,0,0,0|1,1,0]=4 663 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,2,0,0,0,0|1,1,0]=4 664 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,2,0,0,0,0|2,0,0]=4 665 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,2,0,0,0,0|2,0,0]=4 673 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,2,0,0,0,0|2,0,0]=4 675 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,2,0,0,0,0|2,0,0]=4 676 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,2,0,0,0,0|2,0,0]=4 677 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,2,0,0,0,0|2,0,0]=4 678 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,2,0,0,0,0|2,0,0]=4 679 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,2,0,0,0,0|2,0,0]=4 680 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,2,0,0,0,0|2,0,0]=4 684 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,2,0,0,0,0|2,0,0]=4 687 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,2,0,0,0,0|2,0,0]=4 688 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,2,0,0,0,0|2,0,0]=4 689 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,2,0,0,0,0|2,0,0]=4 698 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.4 C=C(F)CSCOC 62a_100000042424_100000766300 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.4 C=C(F)CSCOC 62a_100000766300_100000042424 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.4 C=C(F)CSCSC 62a_100000042424_100011218213 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.4 C=C(F)CSCSC 62a_100011218213_100000042424 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,2,0,0,0,0|1,0,1]=4 708 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,2,0,0,0,0|1,0,1]=4 709 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,2,0,0,0,0|2,0,0]=4 710 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,2,0,0,0,0|1,1,0]=4 711 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,2,0,0,0,0|2,0,0]=4 717 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,2,0,0,0,0|2,0,0]=4 718 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,2,0,0,0,0|1,1,0]=4 719 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,2,0,0,0,0|1,1,0]=4 720 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,2,0,0,0,0|1,1,0]=4 721 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,2,0,0,0,0|2,0,0]=4 722 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,2,0,0,0,0|2,0,0]=4 724 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,2,0,0,0,0|2,0,0]=4 725 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,2,0,0,0,0|2,0,0]=4 726 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,2,0,0,0,0|1,0,0]=3 728 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,2,0,0,0,0|1,0,0]=3 729 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,2,0,0,0,0|2,0,0]=4 730 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,2,0,0,0,0|2,0,0]=4 732 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,2,0,0,0,0|2,0,0]=4 733 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,2,0,0,0,0|2,0,0]=4 735 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,2,0,0,0,0|2,0,0]=4 736 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,2,0,0,0,0|2,0,0]=4 737 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,2,0,0,0,0|1,1,0]=4 739 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,2,0,0,0,0|1,1,0]=4 740 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,2,0,0,0,0|2,0,0]=4 741 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,2,0,0,0,0|2,0,0]=4 742 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,2,0,0,0,0|1,1,0]=4 743 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,2,0,0,0,0|1,1,0]=4 744 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,2,0,0,0,0|1,0,0]=3 747 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,2,0,0,0,0|2,0,0]=4 748 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,2,0,0,0,0|2,0,0]=4 749 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,2,0,0,0,0|2,0,0]=4 751 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,2,0,0,0,0|2,0,0]=4 752 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,2,0,0,0,0|1,1,0]=4 754 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,2,0,0,0,0|1,1,0]=4 755 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,2,0,0,0,0|2,0,0]=4 756 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,2,0,0,0,0|2,0,0]=4 759 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,2,0,0,0,0|2,0,0]=4 760 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,2,0,0,0,0|2,0,0]=4 763 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,2,0,0,0,0|2,0,0]=4 768 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,2,0,0,0,0|1,1,0]=4 772 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,2,0,0,0,0|1,0,1]=4 773 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,2,0,0,0,0|1,0,1]=4 774 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,2,0,0,0,0|1,0,0]=3 775 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,2,0,0,0,0|1,0,0]=3 776 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,2,0,0,0,0|1,0,0]=3 778 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,2,0,0,0,0|1,1,0]=4 779 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,2,0,0,0,0|2,0,0]=4 780 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,2,0,0,0,0|2,0,0]=4 781 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,2,0,0,0,0|2,0,0]=4 784 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,2,0,0,0,0|2,0,0]=4 785 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,2,0,0,0,0|2,0,0]=4 786 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,2,0,0,0,0|1,1,0]=4 787 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,2,0,0,0,0|2,0,0]=4 788 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,2,0,0,0,0|2,0,0]=4 789 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,2,0,0,0,0|2,0,0]=4 791 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,2,0,0,0,0|1,1,0]=4 792 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,2,0,0,0,0|1,1,0]=4 793 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,2,0,0,0,0|2,0,0]=4 794 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,2,0,0,0,0|2,0,0]=4 795 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,2,0,0,0,0|2,0,0]=4 796 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,2,0,0,0,0|2,0,0]=4 797 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,2,0,0,0,0|2,0,0]=4 798 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,2,0,0,0,0|2,0,0]=4 799 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,2,0,0,0,0|2,0,0]=4 803 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,2,0,0,0,0|2,0,0]=4 805 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,2,0,0,0,0|1,1,0]=4 806 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,2,0,0,0,0|1,0,0]=3 808 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,2,0,0,0,0|2,0,0]=4 811 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.8 CCSCS(=O)(=O)N 62a_100000210202_100000741382 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.8 CCSCS(=O)(=O)N 62a_100000741382_100000210202 [0,2,0,0,0,0|2,0,0]=4 819 B7R1.1 CNc1ncns1 27a_100102657272_100000693119 [0,1,0,1,0,0|1,0,1]=4 820 B7R1.1 CNc1nncs1 27a_100102657272_100000739804 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [0,1,0,1,0,0|1,0,1]=4 822 B7R1.2 Cc1csc(n1)O 271570a_203496583355_100011291629 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.2 Cc1nc(cs1)O 271570a_203496583355_100011934587 [0,1,0,1,0,0|1,0,1]=4 824 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [0,1,0,1,0,0|1,0,1]=4 825 B7R1.2 Cc1nnc(s1)O 271570a_203496583355_100000686958 [0,1,0,1,0,0|1,0,1]=4 826 B7R1.2 Cc1nsc(n1)O 271570a_203496583355_100000709739 [0,1,0,1,0,0|1,0,1]=4 827 B7R1.2 Nc1csc(n1)O 271570a_203496583355_200015188442 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.2 Nc1nc(cs1)O 271570a_203496583355_100011998049 [0,1,0,1,0,0|0,0,2]=4 829 B7R1.2 Nc1nnc(s1)O 271570a_203496583355_100000738278 [0,1,0,1,0,0|1,0,1]=4 830 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|1,0,1]=4 831 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|1,0,1]=4 832 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|1,0,1]=4 834 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|1,0,1]=4 835 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|1,0,1]=4 836 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,1,0,1,0,0|2,0,0]=4 837 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,1,0,1,0,0|2,0,0]=4 839 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,1,0,1,0,0|2,0,0]=4