0 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [0,0,0,0,0,0|1,0,0]=1 4 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.5 CCNS(=O)(=O)C MCULE-7880259383 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.5 CCNS(=O)(=O)Cl MCULE-5092101256 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.5 CCNS(=O)(=O)N MCULE-5535895823 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.5 CCOC(C)(C)C MCULE-7572618089 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.5 CCOC(F)(F)F MCULE-2354370468 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [0,0,0,0,0,0|1,1,0]=2 16 B6R0.5 CCOP(=O)(Cl)Cl MCULE-7927319323 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.5 CCOP(=S)(C)[O-] MCULE-9404531218 [0,0,0,0,0,0|1,1,1]=3 18 B6R0.5 CCOS(=O)(=O)C MCULE-7269389229 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.5 CCOS(=O)(=O)Cl MCULE-5545793001 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.5 CCOS(=O)(=O)N MCULE-5392957728 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.5 CCO[Si](C)(C)C MCULE-5246306540 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.5 CCO[Si](Cl)(Cl)Cl MCULE-2872564841 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.5 CS(=O)(=S)OCBr MCULE-7749578002 [0,0,0,0,0,0|3,1,0]=4 25 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.5 O=NOS(=O)(=O)O MCULE-1867727702 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.5 O=S(=O)(Cl)OCCl MCULE-6523050199 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|3,0,0]=4 44 B5R0.1 CC=CB(O)O MCULE-7417903348 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|3,0,0]=4 50 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|2,1,0]=4 54 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,0,0,0,0|3,0,0]=4 56 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|1,1,1]=4 57 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|3,0,0]=4 64 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,0,0,0,0|3,0,0]=4 66 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,0,0,0,0|2,1,0]=4 72 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|2,1,0]=4 73 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,0,0,0,0|1,2,0]=4 74 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,0,0,0,0|1,2,0]=4 75 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,0,0,0,0|1,2,0]=4 76 B5R0.1 CCOC(C)C MCULE-1934548340 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.1 CCOC(C)Cl MCULE-8486994638 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.1 CCOP(Cl)Cl MCULE-1218379857 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,1,0]=4 80 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|3,0,0]=4 91 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 92 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|3,0,0]=4 93 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|3,0,0]=4 94 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|3,0,0]=4 96 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|3,0,0]=4 97 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|3,0,0]=4 98 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|3,0,0]=4 100 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.4 CCC(C)(C)O MCULE-7894262803 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.4 CCP(=O)(Cl)Cl MCULE-3811520604 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,0,0,0,0,0|0,0,0]=1 105 B5R0.4 CCS(=N)(=O)C MCULE-6682726319 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.4 CCS(=O)(=O)C MCULE-8932195925 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.4 CCS(=O)(=O)Cl MCULE-4280260185 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.4 CCS(=O)(=O)F MCULE-9460711277 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [1,0,0,0,0,0|1,1,0]=3 112 B5R0.4 CCS(=O)(=S)[O-] MCULE-8602343929 [1,0,0,0,0,0|1,1,1]=4 113 B5R0.4 CNS(=O)(=O)O MCULE-7257326709 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.4 COP(=O)(Cl)Cl MCULE-9872981956 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.4 COP(=O)(O)O MCULE-8832075019 [1,0,0,0,0,0|0,0,0]=1 116 B5R0.4 COP(=S)(Cl)Cl MCULE-9958941278 [1,0,0,0,0,0|2,1,0]=4 117 B5R0.4 COS(=O)(=O)C MCULE-4411511042 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.4 COS(=O)(=O)Cl MCULE-2396381860 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.4 COS(=O)(=O)F MCULE-7381316945 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.4 COS(=O)(=O)O MCULE-7245694496 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.4 COS(=O)(=O)[O-] MCULE-4933227820 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.4 COS(=O)(=O)[O-] MCULE-8146317923 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.4 COS(=O)(=O)[O-] MCULE-9738203627 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.4 CP(=O)(C)CCl MCULE-8860798375 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [1,0,0,0,0,0|1,0,0]=2 126 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.4 NOS(=O)(=O)O MCULE-4655259886 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.4 O=P(Cl)(Cl)CCl MCULE-3758463220 [1,0,0,0,0,0|3,0,0]=4 129 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [1,0,0,0,0,0|1,0,0]=2 130 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.8 CC/C=C/P(=O)(O)O MCULE-7978096920 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.8 CCCOP(=S)(C)[S-] MCULE-1450745735 [0,1,0,0,0,0|1,2,0]=4 139 B7R0.8 CCCOP(=S)(C)[S-] MCULE-7731450470 [0,1,0,0,0,0|1,2,0]=4 140 B7R0.8 CCCOS(=O)(=O)C MCULE-8443601449 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-1092510375 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.8 CCCOS(=O)(=O)[O-] MCULE-6070478843 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.8 CS(=O)(=O)OCCCl MCULE-8198079010 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.8 CS(=O)(=O)OCCF MCULE-7277769013 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.8 CS(=O)(=S)OCCBr MCULE-3017854867 [0,1,0,0,0,0|2,1,0]=4 149 B7R0.8 CS(=O)(=S)OCCN MCULE-7727893446 [0,1,0,0,0,0|2,1,0]=4 150 B7R0.8 CS(=O)(=S)OCCN MCULE-8197856093 [0,1,0,0,0,0|2,1,0]=4 151 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.8 NCCC[Si](O)(O)O MCULE-9706812989 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [0,1,0,0,0,0|0,0,0]=1 155 B7R0.8 NCCOP(=O)([O-])[O-] MCULE-7319714248 [0,1,0,0,0,0|0,0,2]=3 156 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [0,1,0,0,0,0|1,0,1]=3 157 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [0,1,0,0,0,0|1,1,1]=4 158 B7R0.8 O=P(Cl)(Cl)OCCBr MCULE-7892286580 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.8 O=P(Cl)(Cl)OCCCl MCULE-4630375119 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [0,1,0,0,0,0|1,0,0]=2 162 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.8 O=S(=O)(O)OCCCl MCULE-4767434420 [0,1,0,0,0,0|1,0,1]=3 166 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,1,0,0,0,0|0,0,1]=2 167 B7R0.9 CC(=O)OP(=O)([O-])[O-] MCULE-4269776738 [0,1,0,0,0,0|0,0,3]=4 168 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,1,0,0,0,0|1,0,0]=2 169 B7R0.9 CC(C)NS(=O)(=O)O MCULE-8414216278 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.9 CC(C)OS(=O)(=O)C MCULE-4792959912 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [0,1,0,0,0,0|1,0,1]=3 172 B7R0.9 CC(C)OS(=O)(=O)[O-] MCULE-3991302886 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.9 CC(Cl)OS(=O)(=O)Cl MCULE-1168107203 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.9 NC(=O)OP(=O)(O)O MCULE-8071699770 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [0,1,0,0,0,0|3,0,0]=4 178 B7R0.11 CCOC(C)(C)C=O MCULE-7101941149 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.11 CCOC(C)(C)CO MCULE-6294474255 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.11 CCOS(=O)(=O)CC MCULE-8806858417 [0,1,0,0,0,0|2,0,1]=4 181 B7R0.11 CCO[C@](C)(O)CO MCULE-2547633573 [0,1,0,0,0,0|2,0,0]=3 182 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,1,0,0,0,0|2,0,1]=4 183 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,1,0,0,0,0|1,0,0]=2 184 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,1,0,0,0,0|2,0,1]=4 185 B7R1.14 CC1(OCCO1)C MCULE-3382136459 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.14 O=P1(OCCO1)Cl MCULE-8220157277 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.14 O=S1(=O)NCCO1 MCULE-2978152198 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.14 O=S1(=O)OCCO1 MCULE-4563579294 [0,0,0,1,0,0|1,0,1]=3 191 B7R1.21 CCOC1(CC1)O MCULE-9629273021 [0,0,0,1,0,0|3,0,0]=4 192 B4R0.1 CCB(O)O MCULE-1650960999 [2,0,0,0,0,0|1,0,0]=3 193 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|1,0,0]=3 200 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|1,1,0]=4 201 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|1,0,1]=4 202 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|2,0,0]=4 204 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|0,1,1]=4 205 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,0]=3 207 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|2,0,0]=4 209 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|2,0,0]=4 210 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|2,0,0]=4 211 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|2,0,0]=4 212 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 213 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 214 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 215 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|2,0,0]=4 216 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|2,0,0]=4 218 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|2,0,0]=4 219 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|2,0,0]=4 220 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|2,0,0]=4 221 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|2,0,0]=4 223 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|2,0,0]=4 224 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|2,0,0]=4 225 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.1 OB(O)CCl MCULE-1740750359 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|1,0,0]=3 229 B4R0.2 C#COCC MCULE-1522528824 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.2 C=COCC MCULE-2569047033 [2,0,0,0,0,0|2,0,0]=4 231 B4R0.2 CCC=NO MCULE-9457280654 [2,0,0,0,0,0|1,1,0]=4 232 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|2,0,0]=4 233 B4R0.2 CCCCO MCULE-1571156443 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.2 CCN=C=O MCULE-6522145601 [2,0,0,0,0,0|2,0,0]=4 235 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|2,0,0]=4 236 B4R0.2 CCOC=N MCULE-5321655909 [2,0,0,0,0,0|2,0,0]=4 237 B4R0.2 CCOC=N MCULE-8158357614 [2,0,0,0,0,0|2,0,0]=4 238 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,0]=3 239 B4R0.2 CCOCBr MCULE-6644755987 [2,0,0,0,0,0|2,0,0]=4 240 B4R0.2 CCOCC MCULE-5665709021 [2,0,0,0,0,0|2,0,0]=4 241 B4R0.2 CCOCCl MCULE-5087992840 [2,0,0,0,0,0|2,0,0]=4 242 B4R0.2 CCONC MCULE-5446312516 [2,0,0,0,0,0|1,1,0]=4 243 B4R0.2 CCONC MCULE-7976027802 [2,0,0,0,0,0|1,1,0]=4 244 B4R0.3 CP(=O)(C)C MCULE-2802987054 [2,0,0,0,0,0|2,0,0]=4 245 B4R0.3 CP(=O)(C)Cl MCULE-7288561548 [2,0,0,0,0,0|2,0,0]=4 246 B4R0.3 CP(=O)(C)O MCULE-6213882061 [2,0,0,0,0,0|1,0,0]=3 247 B4R0.3 CP(=O)(Cl)Cl MCULE-3354163551 [2,0,0,0,0,0|2,0,0]=4 248 B4R0.3 CP(=O)(O)O MCULE-1998702544 [2,0,0,0,0,0|0,0,0]=2 249 B4R0.3 CS(=O)(=O)O MCULE-3859614034 [2,0,0,0,0,0|1,0,1]=4 250 B4R0.3 CS(=O)(=O)O MCULE-6572487779 [2,0,0,0,0,0|1,0,1]=4 251 B4R0.3 CS(=O)(=O)O MCULE-9395657013 [2,0,0,0,0,0|1,0,1]=4 252 B4R0.3 C[As](=O)(C)O MCULE-8596669108 [2,0,0,0,0,0|1,1,0]=4 253 B4R0.3 C[As](=O)(O)O MCULE-7801777602 [2,0,0,0,0,0|0,1,0]=3 254 B4R0.3 O=P(O)(F)F MCULE-8498033289 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.3 O=P(O)(O)F MCULE-9464702088 [2,0,0,0,0,0|1,0,0]=3 256 B4R0.3 O=P(O)(O)O MCULE-2880016508 [2,0,0,0,0,0|0,0,0]=2 257 B4R0.3 O=P(O)(O)O MCULE-2910704584 [2,0,0,0,0,0|0,0,0]=2 258 B4R0.3 O=P(O)(O)O MCULE-3461094329 [2,0,0,0,0,0|0,0,0]=2 259 B4R0.3 O=P(O)(O)O MCULE-4434176486 [2,0,0,0,0,0|0,0,0]=2 260 B4R0.3 O=P(O)(O)O MCULE-5726619687 [2,0,0,0,0,0|0,0,0]=2 261 B4R0.3 O=P(O)(O)O MCULE-6927660115 [2,0,0,0,0,0|0,0,0]=2 262 B4R0.3 O=P([O-])([O-])O MCULE-9042759446 [2,0,0,0,0,0|0,0,2]=4 263 B4R0.3 O=S(=O)(O)O MCULE-1504889908 [2,0,0,0,0,0|1,0,1]=4 264 B4R0.3 O=S(=O)(O)O MCULE-1840532235 [2,0,0,0,0,0|1,0,1]=4 265 B4R0.3 O=S(=O)(O)O MCULE-3157443351 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.3 O=S(=O)(O)O MCULE-3551431822 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.3 O=S(=O)(O)O MCULE-3633072096 [2,0,0,0,0,0|1,0,1]=4 268 B4R0.3 O=S(=O)(O)O MCULE-7421846921 [2,0,0,0,0,0|1,0,1]=4 269 B4R0.3 O=S(=O)(O)O MCULE-8481710376 [2,0,0,0,0,0|1,0,1]=4 270 B4R0.3 O=S(=O)(O)O MCULE-8508402601 [2,0,0,0,0,0|1,0,1]=4 271 B4R0.3 O=S(=O)(O)O MCULE-8725108786 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.3 O=S(=O)(O)O MCULE-8745821726 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.3 O=S(=O)(O)O MCULE-9074359856 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.3 O=[Se](=O)(O)O MCULE-3321111440 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.3 OP(=S)(O)O MCULE-5929707165 [2,0,0,0,0,0|0,1,0]=3 276 B4R0.3 O[Si](O)(O)O MCULE-9607200194 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [1,1,0,0,0,0|2,0,0]=4 278 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,1,0,0,0,0|2,0,0]=4 279 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|2,0,0]=4 281 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,1,0,0,0,0|2,0,0]=4 283 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|2,0,0]=4 284 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|2,0,0]=4 285 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [1,1,0,0,0,0|2,0,0]=4 288 B6R0.1 CCOC(=NO)C MCULE-6964305821 [1,1,0,0,0,0|2,0,0]=4 289 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [1,1,0,0,0,0|2,0,0]=4 290 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,1,0,0,0,0|1,0,1]=4 291 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.1 CCOC(=O)CF MCULE-1926097423 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.1 CCOC(=O)CI MCULE-9898762324 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,1,0,0,0,0|2,0,0]=4 297 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,1,0,0,0,0|2,0,0]=4 298 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|1,0,0]=3 299 B6R0.1 CCOC(=O)CS MCULE-3354026239 [1,1,0,0,0,0|1,1,0]=4 300 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|1,0,0]=3 303 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|1,0,0]=3 304 B6R0.1 CCOC(C)CO MCULE-1592146913 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.1 CCOS(=O)CC MCULE-4858180441 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.1 COC(=O)OCCl MCULE-7856529986 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.1 COC(=O)OCF MCULE-4705008675 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.1 COC(=O)OCI MCULE-8692720175 [1,1,0,0,0,0|2,0,0]=4 309 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,1,0,0,0,0|2,0,0]=4 311 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,1,0,0,0,0|2,0,0]=4 317 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [1,1,0,0,0,0|0,1,1]=4 318 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [1,1,0,0,0,0|0,0,1]=3 342 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [1,1,0,0,0,0|0,0,1]=3 343 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|2,0,0]=4 350 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|2,0,0]=4 351 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|2,0,0]=4 368 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,1,0,0,0,0|2,0,0]=4 383 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.4 CCC=CB(O)O MCULE-6166989227 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|2,0,0]=4 391 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,1,0,0,0,0|0,1,1]=4 397 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|2,0,0]=4 398 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|2,0,0]=4 399 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|1,0,0]=3 402 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,1,0,0,0,0|2,0,0]=4 403 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|1,1,0]=4 405 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,1,0,0,0,0|2,0,0]=4 411 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,1,0,0,0,0|2,0,0]=4 412 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|2,0,0]=4 414 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,1,0,0,0,0|2,0,0]=4 417 B6R0.4 NCCON(=O)=O MCULE-1660868950 [1,1,0,0,0,0|0,1,1]=4 418 B6R0.4 NCCON(=O)=O MCULE-5781896981 [1,1,0,0,0,0|0,1,1]=4 419 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,1,0,0,0,0|2,0,0]=4 420 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,1,0,0,0,0|2,0,0]=4 421 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|2,0,0]=4 424 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|2,0,0]=4 426 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,1,0,0,0,0|0,0,1]=3 428 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [1,1,0,0,0,0|0,0,1]=3 429 B6R0.7 CC(C)P(=O)(O)O MCULE-4572861400 [1,1,0,0,0,0|0,0,0]=2 430 B6R0.7 CC(C)S(=O)(=O)O MCULE-2568394676 [1,1,0,0,0,0|1,0,1]=4 431 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [1,1,0,0,0,0|0,0,0]=2 432 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [1,1,0,0,0,0|0,0,0]=2 433 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [1,1,0,0,0,0|0,0,0]=2 434 B6R0.7 O=C(O)P(=O)(O)O MCULE-6294437098 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.8 CCC(C)(O)CO MCULE-7272709587 [1,1,0,0,0,0|2,0,0]=4 436 B6R0.8 CCP(=O)(O)CC MCULE-3198153356 [1,1,0,0,0,0|1,0,0]=3 437 B6R0.8 CCS(=O)(=O)OC MCULE-7196280359 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.8 COP(=O)(C)OC MCULE-7555071260 [1,1,0,0,0,0|1,0,0]=3 439 B6R0.8 COP(=O)(Cl)OC MCULE-6641992442 [1,1,0,0,0,0|1,0,0]=3 440 B6R0.8 COP(=O)(O)OC MCULE-4893199912 [1,1,0,0,0,0|0,0,0]=2 441 B6R0.8 COP(=O)([O-])OC MCULE-8674997571 [1,1,0,0,0,0|0,0,1]=3 442 B6R0.8 COP(=O)([S-])OC MCULE-9104059418 [1,1,0,0,0,0|0,1,0]=3 443 B6R0.8 COP(=S)(N)OC MCULE-5540531880 [1,1,0,0,0,0|1,1,0]=4 444 B6R0.8 COP(=S)(O)OC MCULE-6018886140 [1,1,0,0,0,0|0,1,0]=3 445 B6R0.8 COP(=S)(S)OC MCULE-3430507390 [1,1,0,0,0,0|0,2,0]=4 446 B6R0.8 COP(=S)([S-])OC MCULE-7297295065 [1,1,0,0,0,0|0,2,0]=4 447 B6R0.8 COS(=O)(=O)OC MCULE-2861298645 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.8 O=P(O)(CBr)CBr MCULE-3993361339 [1,1,0,0,0,0|2,0,0]=4 449 B6R0.8 O=P(O)(CCl)CCl MCULE-6792915019 [1,1,0,0,0,0|2,0,0]=4 450 B6R0.8 O=P(O)(CI)CI MCULE-1563566081 [1,1,0,0,0,0|2,0,0]=4 451 B8R0.14 CCOC(=O)P(=O)(O)O MCULE-4584710421 [0,2,0,0,0,0|0,0,0]=2 452 B8R0.21 CCCCOP(=O)(O)O MCULE-7637624598 [0,2,0,0,0,0|0,0,0]=2 453 B8R0.21 N#CCCOP(=O)(O)O MCULE-3863159262 [0,2,0,0,0,0|0,0,0]=2 454 B8R0.21 N#CCCOP(=O)([O-])[O-] MCULE-7613563403 [0,2,0,0,0,0|0,0,2]=4 455 B8R0.21 NCCCCP(=O)(O)O MCULE-2632534074 [0,2,0,0,0,0|1,0,0]=3 456 B8R0.21 O=P(O)(O)CCCCBr MCULE-5686227952 [0,2,0,0,0,0|1,0,0]=3 457 B8R0.24 CC(CN)OS(=O)(=O)O MCULE-9745181089 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.24 COC(=O)CP(=O)(O)O MCULE-7218551741 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,2,0,0,0,0|1,0,0]=3 463 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,2,0,0,0,0|1,0,0]=3 464 B8R0.25 CCP(=O)(O)CCCN MCULE-1115053809 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.25 CCP(=O)(O)CCCN MCULE-4786639632 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.25 NCCCP(=O)(O)CO MCULE-2944312169 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.29 CC(=O)NCP(=O)(O)O MCULE-6441383987 [0,2,0,0,0,0|1,0,1]=4 468 B8R0.29 CC(N)COS(=O)(=O)O MCULE-2792477868 [0,2,0,0,0,0|1,0,1]=4 469 B8R0.29 O=C(O)CCP(=O)(O)O MCULE-5647723204 [0,2,0,0,0,0|1,0,1]=4 470 B8R0.33 CC(C)(N)OP(=O)(O)O MCULE-1214375295 [0,2,0,0,0,0|0,0,0]=2 471 B8R0.33 O=P(O)(O)OP(=O)(O)Cl MCULE-1736654180 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.33 O=P(O)(O)OP(=O)(O)O MCULE-7221126244 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.34 COP(=O)(C)OC(C)C MCULE-6197542101 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.12 CCOP(=O)(O)C(=O)O MCULE-8851144535 [0,2,0,0,0,0|0,0,0]=2 475 B8R0.12 CCOP(=O)([O-])C(=O)[O-] MCULE-6945939036 [0,2,0,0,0,0|0,0,2]=4 476 B8R0.30 CCCP(=O)(O)CCC MCULE-8312121464 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.30 CCOP(=O)(C)CCCl MCULE-7315021258 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.30 CCOP(=O)(C)OCC MCULE-8935982898 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.30 CCOP(=O)(Cl)OCC MCULE-3227922476 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.30 CCOP(=O)(N)OCC MCULE-2701752082 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.30 CCOP(=O)(O)OCC MCULE-1463065293 [0,2,0,0,0,0|0,0,0]=2 482 B8R0.30 CCOP(=O)([O-])OCC MCULE-3156784021 [0,2,0,0,0,0|0,0,1]=3 483 B8R0.30 CCOP(=O)([O-])OCC MCULE-3406523495 [0,2,0,0,0,0|0,0,1]=3 484 B8R0.30 CCOP(=S)(C)OCC MCULE-7946482338 [0,2,0,0,0,0|1,1,0]=4 485 B8R0.30 CCOP(=S)(Cl)OCC MCULE-9256428591 [0,2,0,0,0,0|1,1,0]=4 486 B8R0.30 CCOP(=S)(O)OCC MCULE-9107412305 [0,2,0,0,0,0|0,1,0]=3 487 B8R0.30 CCOP(=S)(S)OCC MCULE-7840582629 [0,2,0,0,0,0|0,2,0]=4 488 B8R0.30 CCOP(=S)(S)OCC MCULE-9502095854 [0,2,0,0,0,0|0,2,0]=4 489 B8R0.30 CCOP(=S)([O-])OCC MCULE-6459790770 [0,2,0,0,0,0|0,1,1]=4 490 B8R0.30 CCOP(=S)([O-])OCC MCULE-9330689667 [0,2,0,0,0,0|0,1,1]=4 491 B8R0.30 CCOP(=S)([S-])OCC MCULE-2127952540 [0,2,0,0,0,0|0,2,0]=4 492 B8R0.30 CCOP(=S)([S-])OCC MCULE-7964218677 [0,2,0,0,0,0|0,2,0]=4 493 B8R0.30 CCOS(=O)(=O)CCO MCULE-8910965824 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.30 CCOS(=O)(=O)OCC MCULE-1621267036 [0,2,0,0,0,0|1,0,1]=4 495 B8R0.31 C=CP(=O)(C=C)OCC MCULE-8492552039 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.31 COP(=O)(CCN)OC MCULE-2090301241 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.31 COP(=O)(CCO)OC MCULE-2482162119 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.17 CC(O)(CN)P(=O)(O)O MCULE-7669605686 [0,2,0,0,0,0|2,0,0]=4 499 B6R1.2 CC1OCCO1 MCULE-2943809591 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.2 ClP1OCCO1 MCULE-2550894251 [1,0,0,1,0,0|1,0,1]=4 501 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|2,0,0]=4 503 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|1,0,0]=3 504 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,1,0,0|1,0,0]=3 505 B6R1.2 OC1CCCO1 MCULE-9632627344 [1,0,0,1,0,0|2,0,0]=4 506 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,1,0,0|0,0,0]=2 507 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|2,0,0]=4 510 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,1,0,0|2,0,0]=4 511 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.21 CC1OC1P(=O)(O)O MCULE-5164420092 [0,1,0,1,0,0|0,0,0]=2 513 B8R1.21 CC1OC1P(=O)([O-])O MCULE-7855698474 [0,1,0,1,0,0|0,0,1]=3 514 B8R1.21 CC1OC1P(=O)([O-])[O-] MCULE-4494242735 [0,1,0,1,0,0|0,0,2]=4 515 B8R1.21 CC1OC1P(=O)([O-])[O-] MCULE-6320039218 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-4962662046 [0,1,0,1,0,0|0,0,0]=2 517 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-6676633484 [0,1,0,1,0,0|0,0,0]=2 518 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] MCULE-1047713286 [0,1,0,1,0,0|0,0,2]=4 519 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] MCULE-5505757333 [0,1,0,1,0,0|0,0,2]=4 520 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-7204032188 [0,1,0,1,0,0|0,0,0]=2 521 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-9004478529 [0,1,0,1,0,0|0,0,0]=2 522 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])O MCULE-7826606646 [0,1,0,1,0,0|0,0,1]=3 523 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-2953479591 [0,1,0,1,0,0|0,0,2]=4 524 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-3988579842 [0,1,0,1,0,0|0,0,2]=4 525 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-6065513059 [0,1,0,1,0,0|0,0,2]=4 526 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])[O-] MCULE-8900832393 [0,1,0,1,0,0|0,0,2]=4 527 B8R1.21 [C@H]1(O[C@@H]1P(=O)([O-])[O-])C MCULE-5436190258 [0,1,0,1,0,0|0,0,2]=4 528 B8R1.51 CC1COS(=O)(=O)O1 MCULE-1582385826 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8592617135 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.51 C[C@@H]1COS(=O)(=O)O1 MCULE-8834088750 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-3969026002 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.51 C[C@H]1COS(=O)(=O)O1 MCULE-5192877040 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.72 O=S1(=O)OCCCO1 MCULE-8391650877 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.52 CC1(OCCO1)CO MCULE-7424031624 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.52 COC1(OCCO1)C MCULE-4869289274 [0,1,0,1,0,0|2,0,0]=4