0 B7R0.7 C#CCC(=O)OCC CS-0667023 [0,0,0,0,0,0|0,0,3]=3 1 B7R0.7 C=C=CC(=O)OCC CS-0204496 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.7 C=CCC(=O)OCC CS-0147250 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.7 CCNC(=O)CC#N CS-0141694 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.7 CCNC(=S)NCC CS-0076442 [0,0,0,0,0,0|2,1,1]=4 7 B7R0.7 CCOC(=O)C#CBr CS-W022671 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.7 CCOC(=O)CCI CS-W002223 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.7 CCOC(=O)CCN CS-W019943 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.7 CCOC(=O)CCO CS-0139545 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.7 CCOC(=O)CNC CS-W020595 [0,0,0,0,0,0|1,0,1]=2 13 B7R0.7 CCOC(=O)CNN CS-W002085 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.7 CCOC(=O)COC CS-0008463 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.7 CCOC(=O)CSC CS-0133049 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.7 CCOC(=O)OCCl CS-W005334 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.7 CCO\C(C)=N\C#N CS-0147117 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.7 CC\N=C(/O)NCC CS-W013607 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.7 COCC(=O)COC CS-W007070 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 C#CC(=O)NCC CS-0168077 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 C=CC(=O)NCC CS-W013719 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 C=CCC(=O)OC CS-0158011 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.1 CC#CC(=O)OC CS-0066219 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.1 CCC(=O)COC CS-0213932 [1,0,0,0,0,0|1,0,1]=3 25 B6R0.1 CCCC(=O)NN CS-0152447 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 CCNC(=O)CBr CS-0239382 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 CCOC(=O)C#N CS-0022374 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.1 CCOC(=O)CN CS-W020007 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.1 CCOC(=O)CO CS-W019892 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.1 CCOC(=O)NN CS-W008412 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 CCOC(C)CC CS-0196425 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.1 CCO\C(C)=N\O CS-W013688 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.1 CNC(=O)CCCl CS-0143787 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.1 CNC(=O)CCO CS-0188403 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.1 CNCC(=O)O[Na] CS-0077129 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 COC(=O)C#CBr CS-0043861 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.1 COC(=O)C#CI CS-0513737 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.1 COC(=O)CC#N CS-W016657 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 COC(=O)CCBr CS-W008728 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 COC(=O)CCCl CS-0131786 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 COC(=O)CCI CS-0615889 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.1 COC(=O)CCN CS-W007648 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.1 COC(=O)CCO CS-0022864 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.1 COC(=O)CCS CS-0000049 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.1 COC(=O)OCCl CS-0067504 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.1 COC(=O)\C=C/I CS-0150951 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.1 COC(=O)\C=C\I CS-0042162 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.6 C(CC)=CCCO CS-W009552 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 C(CO)=CCCC CS-W016652 [1,0,0,0,0,0|2,0,1]=4 50 B6R0.6 CCC\C=C\C=O CS-0099263 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 CCO\C=C\C#N CS-0015294 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.6 CC\C=C/CCO CS-W011323 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 C\C=C\C=C\CO CS-W018413 [1,0,0,0,0,0|2,0,0]=3 54 B8R0.1 C#CCCC(=O)OCC CS-0044527 [0,1,0,0,0,0|0,0,3]=4 55 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.1 C=CCOC(=O)OCC CS-0197813 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.1 CCCOC(=O)CC#N CS-0217234 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,1,0,0,0,0|0,0,3]=4 59 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,1,0,0,0,0|0,0,2]=3 60 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,1,0,0,0,0|0,0,2]=3 61 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,1,0,0,0,0|0,0,2]=3 62 B8R0.1 CCOC(=O)CCNN CS-0151578 [0,1,0,0,0,0|1,0,2]=4 63 B8R0.1 CCOC(=O)CNC=O CS-0201687 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.1 CCOC(=O)\C=C/C#N CS-0356867 [0,1,0,0,0,0|0,0,1]=2 65 B8R0.1 CCOC(=O)\C=C\C=O CS-W020184 [0,1,0,0,0,0|0,0,1]=2 66 B8R0.1 CCOCC(=O)OCC CS-0151430 [0,1,0,0,0,0|0,0,2]=3 67 B8R0.3 C=C(C#N)C(=O)OCC CS-0141604 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.3 C=C(CO)C(=O)OCC CS-W005253 [0,1,0,0,0,0|1,0,1]=3 70 B8R0.3 CCCC(=O)N(C)OC CS-0123043 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.3 CCOC(=O)C(=N)NO CS-0038067 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,1,0,0,0,0|0,0,1]=2 73 B8R0.3 CCOC(=O)C(=O)NN CS-W018576 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,1,0,0,0,0|1,0,2]=4 75 B8R0.3 CCOC(=O)C(Br)CC CS-W010634 [0,1,0,0,0,0|0,0,2]=3 76 B8R0.3 CCOC(=O)C(C)C#N CS-W002095 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.3 CCOC(=O)C(N)CC CS-0197280 [0,1,0,0,0,0|0,0,2]=3 78 B8R0.3 CCOC(=O)C(N)CO CS-0022343 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.3 CCOC(=O)C(N)CS CS-0498859 [0,1,0,0,0,0|1,0,2]=4 80 B8R0.3 CCOC(=O)C(O)CC CS-0185728 [0,1,0,0,0,0|0,0,2]=3 81 B8R0.3 CCOC(=O)[C@@H](C)OC CS-0055730 [0,1,0,0,0,0|1,0,1]=3 82 B8R0.3 CCOC(=O)[C@@H](N)CC CS-0162057 [0,1,0,0,0,0|0,0,2]=3 83 B8R0.3 CCOC(=O)[C@@H](N)CO CS-W017712 [0,1,0,0,0,0|1,0,2]=4 84 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.3 CCOC(=O)[C@@H](O)CC CS-0527449 [0,1,0,0,0,0|0,0,2]=3 86 B8R0.3 CCOC(=O)[C@H](N)CO CS-W022750 [0,1,0,0,0,0|1,0,2]=4 87 B8R0.3 CCOC(=O)\C(Cl)=N\O CS-D1024 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.3 CCOC(=O)\C(N)=N/O CS-0166894 [0,1,0,0,0,0|2,0,0]=3 89 B8R0.5 CC(C)OC(=O)CC#N CS-W013485 [0,1,0,0,0,0|1,0,2]=4 90 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.5 CC(C)OC(=O)OCI CS-0070034 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.5 CC(C)OC(=O)\C=C/I CS-M3624 [0,1,0,0,0,0|1,0,0]=2 93 B8R0.5 CCC\C(C)=C\C(=O)O CS-0072967 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.5 CCOC(=O)CC(=N)N CS-W003345 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.5 CCOC(=O)CC(=N)S CS-W005154 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.5 CCOC(=O)CC(=O)O CS-0016016 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [0,1,0,0,0,0|0,0,1]=2 98 B8R0.5 CCOC(=O)CC(C)Br CS-0197403 [0,1,0,0,0,0|0,0,2]=3 99 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.5 CCOC(=O)CC(C)O CS-W013417 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.5 CCOC(=O)CC(N)=O CS-W002214 [0,1,0,0,0,0|1,0,1]=3 102 B8R0.5 CCOC(=O)CN(C)C CS-W013421 [0,1,0,0,0,0|1,0,1]=3 103 B8R0.5 CCOC(=O)C[C@@H](C)N CS-0162169 [0,1,0,0,0,0|0,0,2]=3 104 B8R0.5 CCOC(=O)C[C@H](C)N CS-0095476 [0,1,0,0,0,0|0,0,2]=3 105 B8R0.5 CCOC(=O)C[C@H](C)O CS-0112519 [0,1,0,0,0,0|0,0,2]=3 106 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.5 CCOC(=O)C[S+](C)C CS-0167158 [0,1,0,0,0,0|1,0,1]=3 108 B8R0.5 CCOC(=O)OC(C)Cl CS-W016294 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.5 CCOC(=O)\C=C(\C)I CS-0130425 [0,1,0,0,0,0|0,0,0]=1 110 B8R0.5 CCOC(=O)\C=C(\C)N CS-0031464 [0,1,0,0,0,0|0,0,0]=1 111 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,1,0,0,0,0|0,0,0]=1 112 B8R0.5 CCO\C(O)=N\C(=N)O CS-W011095 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.5 COCC(=O)OC(C)C CS-M1127 [0,1,0,0,0,0|1,0,1]=3 114 B8R0.5 C\C=C\C(=O)OC(C)C CS-0158289 [0,1,0,0,0,0|0,0,0]=1 115 B8R0.30 CCOP(=O)(O)OCC CS-6295 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.30 CCOP(=O)([O-])OCC CS-0152008 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,0,0,1,0,0|1,0,0]=2 118 B8R1.4 CC1=CC(=O)NC=N1 CS-W001866 [0,0,0,1,0,0|2,0,1]=4 119 B8R1.4 CC1=CC(=O)NN=C1 CS-W000548 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.4 CC1=CC(C)=O[AlH4]O1 CS-0106050 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.4 CC1=CC(C)=O[Ca]O1 CS-0106443 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.4 CC1=CC(C)=O[Co]O1 CS-0015107 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.4 CC1=CC(C)=O[Co]O1 CS-0130375 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.4 CC1=CC(C)=O[Cr]O1 CS-0106479 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.4 CC1=CC(C)=O[Fe]O1 CS-0111174 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.4 CC1=CC(C)=O[Ir]O1 CS-W020773 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.4 CC1=CC(C)=O[Mg]O1 CS-0106061 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.4 CC1=CC(C)=O[Mn]O1 CS-0106058 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.4 CC1=CC(C)=O[Mn]O1 CS-0106120 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.4 CC1=CC(C)=O[Pt]O1 CS-0085574 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.4 CC1=CC(C)=O[Rh]O1 CS-0081884 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.4 CC1=CC(C)=O[Ru]O1 CS-0035190 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.4 CC1=CC(C)=O[Zn]O1 CS-0111728 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.4 CC1=CC(C)=O[Zr]O1 CS-0085625 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.4 CC1=NC=CC(=O)N1 CS-0059206 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,0,0,1,0,0|1,0,2]=4 137 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,0,0,1,0,0|0,0,2]=3 138 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,0,0,1,0,0|1,0,1]=3 141 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.4 O=C1CCNC(=O)N1 CS-W013642 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.8 CCCC1=CC=CS1 CS-0138003 [0,0,0,1,0,0|1,1,1]=4 150 B8R1.11 C=CN1CCCC1=O CS-W020981 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.11 CCC1CCCC1=O CS-0152470 [0,0,0,1,0,0|1,0,2]=4 152 B8R1.11 CCN1CCCC1=O CS-W013650 [0,0,0,1,0,0|1,0,2]=4 153 B8R1.11 CCN1N=CC=C1N CS-W011272 [0,0,0,1,0,0|3,0,0]=4 154 B8R1.11 CCN1N=CC=C1O CS-0135585 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.11 O=CN1CCCC1=O CS-0136637 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.18 CC1=C(C)NC(=O)N1 CS-0309054 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,0,0,1,0,0|1,0,1]=3 158 B8R1.18 CC1=C(C)OC(N)=N1 CS-0095994 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.18 CC1=CC(=O)C(C)O1 CS-W011269 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.18 CC1=CC(=O)NN1C CS-0217939 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [0,0,0,1,0,0|1,0,1]=3 162 B8R1.18 CC1=CC(Br)=NN1C CS-W005278 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.18 CC1=CC(C)=NN1C CS-W013666 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.18 CC1=CC(Cl)=NN1C CS-0101169 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.18 CC1=CC(N)=NN1C CS-0037942 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.18 CC1=NC(C)=C(C)O1 CS-0153589 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.18 CC1NC(=O)NC1=O CS-0084851 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.18 O=C1C=C(Br)C(=O)O1 CS-W021883 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.22 C=C1OCCCCO1 CS-W006464 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.22 O=C1C=CCCCC1 CS-W007594 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,0,0,1,0,0|1,0,2]=4 174 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.22 O=C1COCCCN1 CS-0037454 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.22 O=C1OCCCCO1 CS-0665438 [0,0,0,1,0,0|1,0,1]=3 177 B8R1.37 CCOC(=N)C1CC1 CS-0122277 [0,0,0,1,0,0|1,0,2]=4 178 B8R1.37 O=C(OCCl)C1CC1 CS-0723020 [0,0,0,1,0,0|1,0,2]=4 179 B5R0.1 C=CCC(=O)O CS-0069849 [2,0,0,0,0,0|0,0,2]=4 180 B5R0.1 CC#CC(=O)O CS-W007936 [2,0,0,0,0,0|0,0,2]=4 181 B5R0.1 CC(=O)CCCl CS-W022162 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 CC(=O)CCN CS-0209803 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.1 CC(=O)NCO CS-0061075 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.1 CC(=O)OCBr CS-0090812 [2,0,0,0,0,0|1,0,0]=3 185 B5R0.1 CC(=O)OCCl CS-0139458 [2,0,0,0,0,0|1,0,0]=3 186 B5R0.1 CCCC(=O)O CS-0977378 [2,0,0,0,0,0|0,0,2]=4 187 B5R0.1 CCCC(N)=O CS-0130522 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 CCNC(N)=O CS-W011351 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 CCOC(=N)N CS-W019160 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.1 CCOC(C)=N CS-W008601 [2,0,0,0,0,0|1,0,0]=3 191 B5R0.1 CCOC(N)=O CS-4731 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.1 CNCC(=O)O CS-W013507 [2,0,0,0,0,0|1,0,1]=4 193 B5R0.1 CNCC(=O)O CS-W018511 [2,0,0,0,0,0|1,0,1]=4 194 B5R0.1 COCC(=O)O CS-W020123 [2,0,0,0,0,0|1,0,1]=4 195 B5R0.1 CSCC(=O)O CS-0015159 [2,0,0,0,0,0|1,0,1]=4 196 B5R0.1 C\C=C\B(O)O CS-0086306 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.1 C\C=C\C(=O)O CS-0017976 [2,0,0,0,0,0|0,0,0]=2 198 B5R0.1 C\C=C\C(C)=O CS-0022376 [2,0,0,0,0,0|0,0,0]=2 199 B5R0.1 C\C=C\C(C)=O CS-0513711 [2,0,0,0,0,0|0,0,0]=2 200 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.1 O=C(O)\C=C/I CS-0668652 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.1 O=C(O)\C=C\Br CS-0063842 [2,0,0,0,0,0|1,0,0]=3 203 B5R0.1 O=C(O)\C=C\I CS-0092724 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.2 CC\C=C\C=O CS-0173472 [2,0,0,0,0,0|1,0,0]=3 205 B5R0.2 C\C=C\CCO CS-0162245 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.3 C=CC(=O)NC CS-0134564 [2,0,0,0,0,0|1,0,0]=3 207 B5R0.3 C=CC(=O)O[K] CS-0196459 [2,0,0,0,0,0|1,0,0]=3 208 B5R0.3 CCC(=O)CBr CS-0131119 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.3 CCC(=O)CN CS-W005374 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.3 CCC(=O)CO CS-W005327 [2,0,0,0,0,0|1,0,1]=4 211 B5R0.3 CCC(=O)NC CS-0179730 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.3 CCC(=O)NN CS-0206618 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.3 CCC(=O)O[K] CS-0019431 [2,0,0,0,0,0|1,0,1]=4 214 B5R0.3 CCC(=O)O[Na] CS-0013802 [2,0,0,0,0,0|1,0,1]=4 215 B5R0.3 CCS(=O)CC CS-0199213 [2,0,0,0,0,0|1,0,1]=4 216 B5R0.3 CNC(=O)CBr CS-0023001 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.3 CNC(=O)CCl CS-W007769 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.3 CNC(=O)CI CS-0244983 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.3 CNC(=O)CN CS-0008246 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.3 CNC(=O)CN CS-0130384 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.3 COC(=O)CI CS-0235696 [2,0,0,0,0,0|1,0,1]=4 222 B5R0.3 COC(=O)CN CS-W018508 [2,0,0,0,0,0|1,0,1]=4 223 B5R0.3 COC(=O)CO CS-W004068 [2,0,0,0,0,0|1,0,1]=4 224 B5R0.3 COC(=O)NN CS-0015902 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.3 COC(=O)SCl CS-0313613 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.3 COS(=O)OC CS-0230894 [2,0,0,0,0,0|2,0,0]=4 227 B7R0.2 C=CC(=O)NC(C)C CS-0891513 [1,1,0,0,0,0|1,0,0]=3 228 B7R0.2 C=CC(=O)NC(C)C CS-W011259 [1,1,0,0,0,0|1,0,0]=3 229 B7R0.2 CC(C)OC(=O)CN CS-0154172 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [1,1,0,0,0,0|0,0,1]=3 231 B7R0.2 COC(=O)CC(=O)O CS-W007829 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.2 COC(=O)CC(C)N CS-0147336 [1,1,0,0,0,0|0,0,2]=4 233 B7R0.2 COC(=O)CC(N)=O CS-W022821 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.2 COC(=O)C[C@@H](C)N CS-0003933 [1,1,0,0,0,0|0,0,2]=4 235 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [1,1,0,0,0,0|0,0,2]=4 236 B7R0.2 COC(=O)C[C@H](C)N CS-0147334 [1,1,0,0,0,0|0,0,2]=4 237 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [1,1,0,0,0,0|0,0,0]=2 238 B7R0.2 [C@@H](C)(O)CC(=O)OC CS-W013601 [1,1,0,0,0,0|0,0,2]=4 239 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [1,1,0,0,0,0|0,0,2]=4 240 B7R0.3 C=CC(=O)NCCN CS-0128084 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.3 C=CC(=O)OCCBr CS-0106645 [1,1,0,0,0,0|0,0,0]=2 242 B7R0.3 C=CC(=O)OCCO CS-W013616 [1,1,0,0,0,0|0,0,0]=2 243 B7R0.3 C=CCCC(=O)OC CS-0187527 [1,1,0,0,0,0|0,0,2]=4 244 B7R0.3 C=CCOC(=O)OC CS-0040098 [1,1,0,0,0,0|0,0,2]=4 245 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [1,1,0,0,0,0|0,0,1]=3 246 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [1,1,0,0,0,0|0,0,1]=3 247 B7R0.3 CCCOC(=O)OC CS-0111112 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.3 CNCCC(=O)OC CS-0150994 [1,1,0,0,0,0|0,0,2]=4 249 B7R0.3 COC(=O)C#CCO CS-0029743 [1,1,0,0,0,0|0,0,2]=4 250 B7R0.3 COC(=O)CCCBr CS-W004701 [1,1,0,0,0,0|0,0,2]=4 251 B7R0.3 COC(=O)CCCCl CS-0001466 [1,1,0,0,0,0|0,0,2]=4 252 B7R0.3 COC(=O)CCCI CS-0001467 [1,1,0,0,0,0|0,0,2]=4 253 B7R0.3 COC(=O)CCCN CS-W019991 [1,1,0,0,0,0|0,0,2]=4 254 B7R0.3 COC(=O)CCSC CS-0128902 [1,1,0,0,0,0|0,0,2]=4 255 B7R0.3 COC(=O)CNC=O CS-0187476 [1,1,0,0,0,0|1,0,1]=4 256 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [1,1,0,0,0,0|0,0,0]=2 257 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [1,1,0,0,0,0|0,0,0]=2 258 B7R0.3 COC(=O)\C=C\CN CS-0187948 [1,1,0,0,0,0|0,0,0]=2 259 B7R0.3 COCCC(=O)OC CS-0072438 [1,1,0,0,0,0|0,0,2]=4 260 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [1,1,0,0,0,0|0,0,0]=2 261 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [1,1,0,0,0,0|0,0,0]=2 262 B7R0.5 CCCC(=O)C(C)=O CS-0258819 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.5 CCOC(=O)C(=N)N CS-0151910 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.5 CCOC(=O)C(=O)O CS-W018770 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.5 CCOC(=O)C(C)=O CS-0017821 [1,1,0,0,0,0|0,0,0]=2 267 B7R0.5 CCOC(=O)C(C)N CS-0151889 [1,1,0,0,0,0|0,0,1]=3 268 B7R0.5 CCOC(=O)C(F)Br CS-0198023 [1,1,0,0,0,0|1,0,1]=4 269 B7R0.5 CCOC(=O)C(F)Cl CS-0434923 [1,1,0,0,0,0|1,0,1]=4 270 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [1,1,0,0,0,0|1,0,0]=3 271 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.5 CCOC(=O)[C@H](C)F CS-0670914 [1,1,0,0,0,0|0,0,1]=3 273 B7R0.5 CCOC(=O)[C@H](C)N CS-0009409 [1,1,0,0,0,0|0,0,1]=3 274 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [1,1,0,0,0,0|0,0,1]=3 275 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [1,1,0,0,0,0|1,0,1]=4 276 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [1,1,0,0,0,0|0,0,1]=3 277 B7R0.10 CCC(=O)C(=O)O[Na] CS-W005355 [1,1,0,0,0,0|1,0,1]=4 278 B7R0.10 CCC(=O)N(C)OC CS-0122993 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.10 CCC(N)C(=O)OC CS-W018067 [1,1,0,0,0,0|0,0,2]=4 280 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [1,1,0,0,0,0|0,0,2]=4 281 B7R0.10 CC[C@@H](O)C(=O)OC CS-0099841 [1,1,0,0,0,0|0,0,2]=4 282 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [1,1,0,0,0,0|0,0,2]=4 283 B7R0.10 CC[C@H](O)C(=O)OC CS-0138542 [1,1,0,0,0,0|0,0,2]=4 284 B7R0.10 CN[C@@H](C)C(=O)OC CS-0068182 [1,1,0,0,0,0|1,0,1]=4 285 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [1,1,0,0,0,0|1,0,1]=4 286 B7R0.10 COC(=O)C(=O)NN CS-0265222 [1,1,0,0,0,0|2,0,0]=4 287 B7R0.10 COC(=O)C(=O)O[K] CS-0150929 [1,1,0,0,0,0|2,0,0]=4 288 B7R0.10 COC(=O)C(Cl)OC CS-0698983 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.11 CCOS(=O)(=O)CC CS-0044478 [1,1,0,0,0,0|1,0,1]=4 290 B7R0.1 C(C=O)=C/C=CCC CS-W013668 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.1 CCCC\C=C\C=O CS-0185633 [1,1,0,0,0,0|2,0,0]=4 292 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,1,0,0,0,0|2,0,0]=4 293 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [1,1,0,0,0,0|1,0,0]=3 294 B7R0.4 CCO\C=C\C(=O)O CS-W019195 [1,1,0,0,0,0|1,0,0]=3 295 B9R0.4 C=CCOC(=O)CC(C)=O CS-W018294 [0,2,0,0,0,0|0,0,2]=4 296 B9R0.4 CC(=O)CC(=O)NCCO CS-0138442 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.4 CCCOC(=O)CC(C)C CS-0453597 [0,2,0,0,0,0|0,0,2]=4 298 B9R0.5 C#CCCCC(=O)OCC CS-0532490 [0,2,0,0,0,0|0,0,2]=4 299 B9R0.5 C(C)=C/C=CC(=O)OCC CS-W014374 [0,2,0,0,0,0|0,0,0]=2 300 B9R0.5 CCC\C=C\C(=O)OCC CS-W018283 [0,2,0,0,0,0|0,0,0]=2 301 B9R0.5 CCOC(=O)CCCC#N CS-0151586 [0,2,0,0,0,0|0,0,2]=4 302 B9R0.5 CCOC(=O)CCCCBr CS-W008658 [0,2,0,0,0,0|0,0,2]=4 303 B9R0.5 CCOC(=O)CCCCN CS-W022699 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.5 CCOCCC(=O)OCC CS-W013312 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.5 CCO\C=C\C(=O)OCC CS-0046174 [0,2,0,0,0,0|0,0,0]=2 307 B9R0.5 CCO\C=C\C(=O)OCC CS-W002052 [0,2,0,0,0,0|0,0,0]=2 308 B9R0.34 C(C(=O)OCC)=C(\C)C=O CS-W008241 [0,2,0,0,0,0|0,0,0]=2 309 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.34 CCOC(=O)CC(=N)NO CS-0197481 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,2,0,0,0,0|0,0,1]=3 312 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,2,0,0,0,0|0,0,1]=3 313 B9R0.34 CCOC(=O)CC(=O)NC CS-0151538 [0,2,0,0,0,0|0,0,1]=3 314 B9R0.34 CCOC(=O)CC(=O)NN CS-W004175 [0,2,0,0,0,0|1,0,1]=4 315 B9R0.34 CCOC(=O)CC(=O)O[K] CS-D1444 [0,2,0,0,0,0|1,0,1]=4 316 B9R0.34 CCOC(=O)C[C@@H](O)CCl CS-W010802 [0,2,0,0,0,0|0,0,2]=4 317 B9R0.34 CCOC(=O)C[C@H](O)CCl CS-W017853 [0,2,0,0,0,0|0,0,2]=4 318 B9R0.34 CCOC(=O)NC(=O)CCl CS-0093623 [0,2,0,0,0,0|1,0,0]=3 319 B9R0.34 CCOC(=O)\C=C(/C)CBr CS-0106214 [0,2,0,0,0,0|0,0,0]=2 320 B9R0.35 C=CC[C@H](N)C(=O)OCC CS-0340794 [0,2,0,0,0,0|0,0,2]=4 321 B9R0.35 CCCC(Br)C(=O)OCC CS-W015179 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.35 CCC[C@@H](N)C(=O)OCC CS-0539079 [0,2,0,0,0,0|0,0,2]=4 323 B9R0.35 CCC[C@H](N)C(=O)OCC CS-M0539 [0,2,0,0,0,0|0,0,2]=4 324 B9R0.35 CCOC(=N)C(=O)OCC CS-W006056 [0,2,0,0,0,0|0,0,1]=3 325 B9R0.35 CCOC(=O)C(=O)[CH-]C#N CS-0151551 [0,2,0,0,0,0|0,0,2]=4 326 B9R0.35 CCOC(=O)C(=O)[CH-]C#N CS-0151908 [0,2,0,0,0,0|0,0,2]=4 327 B9R0.35 CCOC(=O)C(Cl)OCC CS-0663093 [0,2,0,0,0,0|0,0,2]=4 328 B9R0.35 CCOC(=O)C(N)CSC CS-0311793 [0,2,0,0,0,0|0,0,2]=4 329 B9R0.48 C=C(C)CCC(=O)OCC CS-W018285 [0,2,0,0,0,0|0,0,1]=3 330 B9R0.48 CCOC(=O)CCC(=O)O CS-W013313 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.48 CCOC(=O)CCC(C)=O CS-0204023 [0,2,0,0,0,0|0,0,1]=3 332 B9R0.48 CCOC(=O)CCC(C)Br CS-0139323 [0,2,0,0,0,0|0,0,2]=4 333 B9R0.48 CCOC(=O)CCC(C)C CS-0151589 [0,2,0,0,0,0|0,0,2]=4 334 B9R0.48 CCOC(=O)CCN(C)C CS-0124937 [0,2,0,0,0,0|0,0,2]=4 335 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,2,0,0,0,0|0,0,1]=3 336 B9R0.48 CCOC(=O)NCC(=O)O CS-0106586 [0,2,0,0,0,0|1,0,1]=4 337 B9R0.48 CCOC(=O)\C=C\C(=O)O CS-0030808 [0,2,0,0,0,0|0,0,1]=3 338 B9R0.48 CCOC(=O)\C=C\N(C)C CS-0028335 [0,2,0,0,0,0|0,0,0]=2 339 B9R0.48 CCOC(=O)\C=C\N(C)C CS-W008982 [0,2,0,0,0,0|0,0,0]=2 340 B9R0.6 CCOC(=O)C(=O)C(C)Br CS-W006537 [0,2,0,0,0,0|0,0,1]=3 341 B9R0.6 CCOC(=O)C(=O)C(C)C CS-0151907 [0,2,0,0,0,0|0,0,1]=3 342 B9R0.6 CCOC(=O)C(Br)C(C)Br CS-0181787 [0,2,0,0,0,0|0,0,2]=4 343 B9R0.6 CCOC(=O)C(C)C(C)=O CS-W004822 [0,2,0,0,0,0|0,0,1]=3 344 B9R0.6 CCOC(=O)C(Cl)C(C)=O CS-W018512 [0,2,0,0,0,0|0,0,1]=3 345 B9R0.6 CCOC(=O)C(F)C(C)=O CS-0151900 [0,2,0,0,0,0|0,0,1]=3 346 B9R0.6 CCOC(=O)C(N)C(C)C CS-0151896 [0,2,0,0,0,0|0,0,2]=4 347 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CS-W008384 [0,2,0,0,0,0|0,0,2]=4 348 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O CS-W021073 [0,2,0,0,0,0|0,0,2]=4 349 B9R0.6 CCOC(=O)[C@H](N)C(C)C CS-0151924 [0,2,0,0,0,0|0,0,2]=4 350 B9R0.37 CCOC(=O)C(C#N)CC CS-W022659 [0,2,0,0,0,0|0,0,2]=4 351 B9R0.37 CCOC(=O)C(CC)CC CS-0185674 [0,2,0,0,0,0|0,0,2]=4 352 B9R0.37 CCOC(=O)\C(C#N)=N\O CS-0019125 [0,2,0,0,0,0|1,0,1]=4 353 B9R0.37 CCOC(=O)\C(C#N)=N\O CS-W020690 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.44 C=CCC(=O)OC(C)(C)C CS-W018279 [0,2,0,0,0,0|0,0,2]=4 355 B9R0.44 CC(C)(C)OC(=O)C=[N+]=[N-] CS-0368614 [0,2,0,0,0,0|2,0,0]=4 356 B9R0.44 CCNC(=O)OC(C)(C)C CS-0072454 [0,2,0,0,0,0|1,0,1]=4 357 B9R0.44 CCOC(=O)CC(C)(C)C CS-0199440 [0,2,0,0,0,0|0,0,2]=4 358 B9R0.44 CCOC(=O)CC(C)(C)N CS-W003795 [0,2,0,0,0,0|0,0,2]=4 359 B9R0.44 CCOC(=O)CC(C)(C)O CS-0061614 [0,2,0,0,0,0|0,0,2]=4 360 B9R0.44 CCOC(=O)CS(C)(=O)=O CS-0128772 [0,2,0,0,0,0|1,0,1]=4 361 B9R0.44 CCOC(=O)C[Si](C)(C)C CS-W016151 [0,2,0,0,0,0|0,1,1]=4 362 B9R0.44 CNCC(=O)OC(C)(C)C CS-W018848 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.44 CNNC(=O)OC(C)(C)C CS-W019664 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.44 CONC(=O)OC(C)(C)C CS-0134050 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.44 C\C=C\C(=O)OC(C)(C)C CS-0199682 [0,2,0,0,0,0|0,0,0]=2 366 B9R0.53 CC(=O)CC(=O)CC(C)C CS-0095754 [0,2,0,0,0,0|1,0,1]=4 367 B9R0.53 CC(=O)CC(=O)OC(C)C CS-0179766 [0,2,0,0,0,0|0,0,1]=3 368 B9R0.53 CC(C)=CC(=O)C=C(C)C CS-W018571 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.53 CC(C)OC(=O)OC(C)C CS-W014351 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.53 CC(C)OC(=O)OC(C)Cl CS-W021319 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.53 CC(Cl)OC(=O)OC(C)Cl CS-0160241 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.53 C\C(N)=C\C(=O)OC(C)C CS-0130491 [0,2,0,0,0,0|0,0,0]=2 373 B7R1.1 CCC1=CC=CN1 CS-0198957 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.1 CCC1=CC=CO1 CS-W013731 [1,0,0,1,0,0|0,0,2]=4 375 B7R1.1 COC1=CC=CS1 CS-W001141 [1,0,0,1,0,0|0,1,1]=4 376 B7R1.1 COC1=CSC=C1 CS-W008023 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.1 COC1=NNC=C1 CS-0150000 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [1,0,0,1,0,0|0,0,0]=2 379 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [1,0,0,1,0,0|0,0,0]=2 384 B7R1.2 CC1CCC(=O)O1 CS-W016654 [1,0,0,1,0,0|0,0,1]=3 385 B7R1.2 CC1CNC(=O)C1 CS-0040667 [1,0,0,1,0,0|2,0,0]=4 386 B7R1.2 CC1COC(=O)N1 CS-0181060 [1,0,0,1,0,0|1,0,1]=4 387 B7R1.2 CN1CCC(=O)C1 CS-0172438 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [1,0,0,1,0,0|1,0,1]=4 389 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [1,0,0,1,0,0|1,0,1]=4 391 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [1,0,0,1,0,0|1,0,1]=4 393 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [1,0,0,1,0,0|1,0,1]=4 395 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [1,0,0,1,0,0|1,0,0]=3 396 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.2 O=C1C=CC(O)C1 CS-0139552 [1,0,0,1,0,0|2,0,0]=4 398 B7R1.2 O=C1C=CC(O)O1 CS-0196767 [1,0,0,1,0,0|1,0,0]=3 399 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.2 O=C1COC(=O)C1 CS-W016655 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.2 O=C1COC(=O)N1 CS-0005564 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.2 O=C1OCC(F)O1 CS-0155468 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.3 BrC1=CCCCC1 CS-0155410 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.3 BrC1C=CCCC1 CS-0173469 [1,0,0,1,0,0|1,0,1]=4 408 B7R1.3 CC1=NCCCO1 CS-1006941 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.3 O=C1C=CC=CO1 CS-W013734 [1,0,0,1,0,0|0,0,2]=4 410 B7R1.3 O=C1C=CCCN1 CS-W006454 [1,0,0,1,0,0|1,0,0]=3 411 B7R1.3 O=C1CCCCN1 CS-W022933 [1,0,0,1,0,0|1,0,1]=4 412 B7R1.3 O=C1CCCCO1 CS-W013713 [1,0,0,1,0,0|0,0,1]=3 413 B7R1.3 O=C1CCCNC1 CS-0048756 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.3 O=C1CCCNC1 CS-0185548 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.3 O=C1CCCOC1 CS-D1576 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.3 O=C1CCCSC1 CS-D0446 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.3 O=C1CNCCO1 CS-0098127 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.3 O=C1COCCO1 CS-0031423 [1,0,0,1,0,0|1,0,1]=4 419 B7R1.3 O=C1NCCCO1 CS-0088044 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.3 O=C1OCCCO1 CS-0155207 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.3 OC1C=CCCC1 CS-W011333 [1,0,0,1,0,0|0,0,2]=4 422 B7R1.4 CC1=CCCC1=O CS-0180943 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.4 CC1CCNC1=O CS-W004958 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.4 CC1CCOC1=O CS-0152675 [1,0,0,1,0,0|0,0,1]=3 425 B7R1.4 CN1CCCC1=O CS-0017258 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.4 CN1CCNC1=O CS-W005507 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.4 CN1CCOC1=O CS-W016647 [1,0,0,1,0,0|1,0,0]=3 428 B7R1.4 CN1NC=CC1=O CS-0151204 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 CN1SC=CC1=O CS-W010959 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.4 CN1SC=CC1=O CS-W011236 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.4 NC1CCOC1=O CS-0051531 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.4 NN1CCOC1=O CS-W013698 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.4 N[C@@H]1CCOC1=O CS-0022064 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.4 O=C1OCCC1Br CS-W001104 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.4 O=C1OCCC1O CS-W013699 [1,0,0,1,0,0|1,0,1]=4 437 B7R1.4 O=C1OCC[C@@H]1O CS-0312594 [1,0,0,1,0,0|1,0,1]=4 438 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [1,0,0,1,0,0|1,0,1]=4 439 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [1,0,0,1,0,0|1,0,1]=4 440 B7R1.22 COC(=O)[C@@H]1CO1 CS-0063139 [1,0,0,1,0,0|1,0,1]=4 441 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [1,0,0,1,0,0|1,0,1]=4 442 B9R1.2 COC1=CC(=O)CCC1 CS-0100011 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.7 CCOC1=CC(=O)CC1 CS-0039741 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.7 CCOC1=NC(Br)=CS1 CS-0206873 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.8 CCOC1=CC=CC=C1 CS-0017190 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.8 CCOC1=NC=CN=C1 CS-W013527 [0,1,0,1,0,0|1,0,1]=4 447 B9R1.12 CCOCC1=CC=CO1 CS-W018955 [0,1,0,1,0,0|0,0,2]=4 448 B9R1.22 CC1=C(CCl)OC(=O)O1 CS-W019685 [0,1,0,1,0,0|1,0,1]=4 449 B9R1.22 CC1=C(CO)OC(=O)O1 CS-W004926 [0,1,0,1,0,0|1,0,1]=4 450 B9R1.22 CCN1N=C(C)C=C1N CS-0465288 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.27 CCN1C(=O)C=CC1=O CS-0014814 [0,1,0,1,0,0|1,0,1]=4 452 B9R1.33 CCOC1=NNC=C1I CS-0468071 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.33 NCCN1CCOC1=O CS-0040773 [0,1,0,1,0,0|1,0,1]=4 454 B9R1.48 O=C1CCCCC(=O)C1 CS-W002860 [0,1,0,1,0,0|1,0,1]=4 455 B9R1.48 O=C1CCCCC(=O)O1 CS-W019642 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.73 CCOC(=O)C1CCC1 CS-D1706 [0,1,0,1,0,0|0,0,2]=4 457 B9R1.73 CCOC(=O)C1CNC1 CS-0045521 [0,1,0,1,0,0|0,0,2]=4 458 B9R1.75 CCOC(=O)C=C1CC1 CS-0340229 [0,1,0,1,0,0|0,0,0]=2 459 B9R1.75 CCOC(=O)CC1CC1 CS-W000547 [0,1,0,1,0,0|0,0,2]=4 460 B9R1.37 CC1=C(C)C(=O)OC1=O CS-W016566 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.37 CC1=C(O)C(=O)C(C)O1 CS-W013470 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.37 CC1=C(O)C(=O)OC1C CS-0035224 [0,1,0,1,0,0|0,0,0]=2 463 B9R1.74 CCOC(=O)C1(Br)CC1 CS-W018973 [0,1,0,1,0,0|0,0,2]=4 464 B9R1.74 CCOC(=O)C1(C)CC1 CS-0087988 [0,1,0,1,0,0|0,0,2]=4 465 B9R1.74 CCOC(=O)C1(N)CC1 CS-0089765 [0,1,0,1,0,0|0,0,2]=4 466 B9R1.74 CCOC(=O)C1(N)CC1 CS-W008095 [0,1,0,1,0,0|0,0,2]=4 467 B9R1.74 CCOC(=O)C1(O)CC1 CS-0049550 [0,1,0,1,0,0|0,0,2]=4 468 B9R1.34 CC1=CC(=O)C=C(C)N1 CS-W013538 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.34 CC1=CC(=O)C=C(C)O1 CS-W011185 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.34 CC1=CC(O)=CC(=O)O1 CS-W020045 [0,1,0,1,0,0|0,0,2]=4 471 B9R1.34 CC1CC(=O)CC(=O)C1 CS-0130624 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.34 CC1CC(=O)OC(=O)C1 CS-0152693 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.38 CC1(C)OC(=O)NC1=O CS-0013093 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.41 CC(=O)C1CCCC1=O CS-W011158 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.41 CC(=O)N1CCCC1=O CS-0186313 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.66 CC1(C)CC=CC(=O)C1 CS-0648459 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.137 CC(=O)CC(=O)C1CC1 CS-W006361 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.14 CCN1N=CC=C1C=O CS-0061516 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.23 CC1=CC(C=O)=NN1C CS-0061282 [0,1,0,1,0,0|2,0,0]=4