0 B6R0.5 C#CCS(=O)(=O)Cl SY043168 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 C=CCS(=O)(=O)Cl SY045333 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.5 CC(C)(O)CCBr SY043014 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.5 CCNS(=O)(=O)Cl SY019416 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.5 CCNS(N)(=O)=O SY031291 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.5 CS(=O)(=O)CC#N SY044684 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.5 CS(=O)(=O)CCBr SY020452 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.5 CS(=O)(=O)CCN SY006994 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.5 CS(=O)(=O)CCO SY049666 [0,0,0,0,0,0|1,1,0]=2 9 B6R0.5 N#CCS(=O)(=O)Cl SY045335 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.5 N#CCS(=O)(=O)[O-] SY270612 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.5 NCCP(=O)(O)O SY233151 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.5 NCCS(N)(=O)=O SY008704 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.5 NCCS(N)(=O)=O SY029832 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.5 NS(=O)(=O)CCO SY031289 [0,0,0,0,0,0|1,1,0]=2 15 B6R0.5 O=S(=O)(Cl)CCBr SY008203 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.5 O=S(=O)(O)CCBr SY019880 [0,0,0,0,0,0|1,0,0]=1 17 B6R0.5 O=S(=O)([O-])CCBr SY008221 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.5 O=S(=O)([O-])CCCl SY073226 [0,0,0,0,0,0|1,0,1]=2 19 B6R0.5 [N-]=[N+]=NS(=O)(=O)F SY297989 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 C#CCC(=O)O SY040154 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(=O)CCN SY263173 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 CC(=O)CCO SY002849 [1,0,0,0,0,0|2,1,0]=4 23 B5R0.1 CC(O)CCBr SY216789 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CCCB(O)O SY030878 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CCC[C@@H](C)O SY045083 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 CNCC(=O)O SY001630 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C[C@@H](O)CCO SY049450 [1,0,0,0,0,0|2,1,0]=4 28 B5R0.1 NC(=O)CCBr SY014886 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 NCCC(N)=O SY024863 [1,0,0,0,0,0|3,0,0]=4 30 B5R0.1 NCCC(N)=O SY101590 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 NCC[N+](=O)[O-] SY279282 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 O=C(O)CCF SY008508 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 O=C(O)CCO SY003982 [1,0,0,0,0,0|1,1,0]=3 34 B5R0.1 O=[N+]([O-])CCO SY008757 [1,0,0,0,0,0|1,1,1]=4 35 B5R0.4 C=CS(=O)(=O)Cl SY030716 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.4 CCS(=O)(=O)O SY036762 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.4 CCS(N)(=O)=O SY016774 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.4 CNS(=O)(=O)Cl SY004236 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.4 CNS(C)(=O)=O SY004768 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.4 CNS(N)(=O)=O SY020910 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.4 NCP(=O)(O)O SY011283 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.4 O=S(=O)([O-])CBr SY294735 [1,0,0,0,0,0|1,0,1]=3 43 B7R0.8 C=CCCS(=O)(=O)Cl SY187093 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.8 CCCCS(=O)(=O)[O-] SY017855 [0,1,0,0,0,0|1,0,1]=3 45 B7R0.8 CCCOS(C)(=O)=O SY053849 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.8 COCCS(=O)(=O)Cl SY008165 [0,1,0,0,0,0|1,1,0]=3 47 B7R0.8 COCCS(=O)(=O)[O-] SY014809 [0,1,0,0,0,0|0,1,1]=3 48 B7R0.8 CS(=O)(=O)CCCBr SY191290 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.8 CS(=O)(=O)CCCN SY037728 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.8 CS(=O)(=O)CCCO SY006812 [0,1,0,0,0,0|1,1,0]=3 51 B7R0.8 CS(=O)(=O)NCCCl SY018853 [0,1,0,0,0,0|2,0,0]=3 52 B7R0.8 NCCCS(=O)(=O)O SY006704 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.8 NCCCS(N)(=O)=O SY060437 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.8 NS(=O)(=O)CCCCl SY096634 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.8 O=S(=O)(Cl)NCCCl SY018715 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.9 CC(C)CS(N)(=O)=O SY182818 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.9 CC(C)NS(=O)(=O)Cl SY018712 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.9 CC(C)NS(N)(=O)=O SY165450 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.9 CC(C)OS(C)(=O)=O SY052242 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.9 CS(=O)(=O)CC(=O)O SY003200 [0,1,0,0,0,0|1,1,1]=4 61 B7R0.9 CS(=O)(=O)CC(N)=O SY020025 [0,1,0,0,0,0|1,1,1]=4 62 B7R0.11 CCOS(=O)(=O)CC SY253126 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.14 O=S1(=O)C=CCO1 SY029588 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.14 O=S1(=O)CCCN1 SY022751 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.14 O=S1(=O)NCCN1 SY103379 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.16 NC1CS(=O)(=O)C1 SY123967 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.16 NC1CS(=O)(=O)C1 SY259709 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.16 O=S1(=O)CC(Br)C1 SY192900 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.26 NS(=O)(=O)C1CC1 SY004893 [0,0,0,1,0,0|2,0,0]=3 70 B4R0.1 CCB(O)O SY004385 [2,0,0,0,0,0|1,0,1]=4 71 B4R0.1 CCC(N)=O SY048276 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 CCS(=O)[O-] SY005659 [2,0,0,0,0,0|0,0,2]=4 73 B4R0.2 OCCCBr SY001898 [2,0,0,0,0,0|2,0,0]=4 74 B4R0.2 OCCCF SY033053 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.2 OCCCI SY016401 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.3 CS(=O)(=O)[O-] SY003606 [2,0,0,0,0,0|0,0,1]=3 77 B4R0.3 CS(C)(=N)=O SY037343 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.3 CS(N)(=O)=O SY001366 [2,0,0,0,0,0|1,0,0]=3 79 B4R0.3 NS(=O)(=O)Cl SY006415 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.3 NS(N)(=O)=O SY004124 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.3 O=S(=O)([O-])[O-] SY009915 [2,0,0,0,0,0|0,1,1]=4 82 B4R0.3 O=S(=O)([O-])[O-] SY011700 [2,0,0,0,0,0|0,1,1]=4 83 B4R0.3 O=S(=O)([O-])[O-] SY011749 [2,0,0,0,0,0|0,1,1]=4 84 B4R0.3 O=S(=O)([O-])[O-] SY011800 [2,0,0,0,0,0|0,1,1]=4 85 B4R0.3 O=S(=O)([O-])[O-] SY011843 [2,0,0,0,0,0|0,1,1]=4 86 B6R0.1 COC(=O)CCBr SY002337 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.1 COC(=O)CCN SY004831 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.1 COC(=O)CCO SY008913 [1,1,0,0,0,0|1,1,0]=4 89 B6R0.1 O=C(CCCl)NO SY159080 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.2 CC(N)CC(=O)O SY022577 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.2 C[C@H](N)CC(=O)O SY022578 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.2 C[C@H](N)CC(=O)O SY025782 [1,1,0,0,0,0|2,0,0]=4 95 B6R0.3 CCC(N)C(=O)O SY005223 [1,1,0,0,0,0|2,0,0]=4 96 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.3 CC[C@H](N)C(=O)O SY002291 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.3 CC[C@H](O)C(=O)O SY066872 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.3 C[C@H](CN)C(=O)O SY020274 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.3 C[C@H](CN)C(=O)O SY105716 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.3 NC(CO)C(=O)O SY003812 [1,1,0,0,0,0|1,1,0]=4 107 B6R0.3 NC(CS)C(=O)O SY009625 [1,1,0,0,0,0|1,0,0]=3 108 B6R0.3 NCC(Br)C(=O)O SY297906 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.3 NCC(N)C(=O)O SY017516 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.3 NCC(O)C(=O)O SY007745 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 NC[C@H](N)C(=O)O SY017515 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 NC[C@H](O)C(=O)O SY013665 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [1,1,0,0,0,0|2,0,0]=4 115 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [1,1,0,0,0,0|1,1,0]=4 116 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [1,1,0,0,0,0|1,0,0]=3 117 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.3 N[C@H](CO)C(=O)O SY005114 [1,1,0,0,0,0|1,1,0]=4 119 B6R0.3 N[C@H](CS)C(=O)O SY033289 [1,1,0,0,0,0|1,0,0]=3 120 B6R0.3 N[C@H](CS)C(=O)O SY033653 [1,1,0,0,0,0|1,0,0]=3 121 B6R0.3 O=C(O)C(Br)CO SY261671 [1,1,0,0,0,0|1,1,0]=4 122 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [1,1,0,0,0,0|1,1,0]=4 123 B6R0.4 CNCCC(=O)O SY005345 [1,1,0,0,0,0|2,0,0]=4 124 B6R0.4 CNCCC(=O)O SY112486 [1,1,0,0,0,0|2,0,0]=4 125 B6R0.4 COCCC(=O)O SY028921 [1,1,0,0,0,0|1,1,0]=4 126 B6R0.4 N#CCCC(=O)O SY008516 [1,1,0,0,0,0|2,0,0]=4 127 B6R0.4 O=C(O)CCCBr SY001501 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.7 CN(C)S(N)(=O)=O SY030363 [1,1,0,0,0,0|2,0,0]=4 129 B8R0.21 C=CCCCS(=O)(=O)Cl SY198673 [0,2,0,0,0,0|2,0,0]=4 130 B8R0.21 CCCCCS(=O)(=O)[O-] SY013397 [0,2,0,0,0,0|1,0,1]=4 131 B8R0.21 CCCCOS(C)(=O)=O SY058921 [0,2,0,0,0,0|2,0,0]=4 132 B8R0.21 COCCCS(=O)(=O)O SY011651 [0,2,0,0,0,0|0,1,0]=3 133 B8R0.21 COCCOS(C)(=O)=O SY055164 [0,2,0,0,0,0|1,1,0]=4 134 B8R0.21 N#CCCCS(=O)(=O)[O-] SY011643 [0,2,0,0,0,0|1,0,1]=4 135 B8R0.21 O=S(=O)(Cl)CCCCCl SY006380 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.21 O=S(=O)(Cl)NCCCCl SY018716 [0,2,0,0,0,0|2,0,0]=4 137 B8R0.25 C=CS(=O)(=O)NCCN SY312069 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.29 CC(C)CNS(=O)(=O)Cl SY018714 [0,2,0,0,0,0|2,0,0]=4 139 B8R0.29 CS(=O)(=O)CCC(=O)O SY028922 [0,2,0,0,0,0|1,1,0]=4 140 B8R0.33 O=S(=O)(O)CS(=O)(=O)O SY157937 [0,2,0,0,0,0|1,1,0]=4 141 B8R0.30 O=S(=O)(CCO)CCO SY025639 [0,2,0,0,0,0|0,1,0]=3 142 B6R1.2 OC1CCSC1 SY185762 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.11 O=C(O)[C@H]1CO1 SY289468 [1,0,0,1,0,0|1,1,0]=4 144 B8R1.51 CC1COS(=O)(=O)C1 SY264357 [0,1,0,1,0,0|1,0,0]=3 145 B8R1.51 C[C@@H]1COS(=O)(=O)O1 SY247372 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.51 NC1CCS(=O)(=O)C1 SY031825 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.51 N[C@H]1CCS(=O)(=O)C1 SY278585 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.51 O=C1CCS(=O)(=O)C1 SY030209 [0,1,0,1,0,0|1,1,0]=4 149 B8R1.51 O=S1(=O)CCC(F)O1 SY291798 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.51 O=S1(=O)CCC(O)C1 SY122163 [0,1,0,1,0,0|1,1,0]=4 151 B8R1.55 NS(=O)(=O)C1CCC1 SY163437 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.55 NS(=O)(=O)C1COC1 SY189614 [0,1,0,1,0,0|1,1,0]=4 153 B8R1.55 NS(=O)(=O)N1CCC1 SY045205 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.56 O=S(=O)(Cl)CC1CC1 SY045314 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.72 O=S1(=O)CCCCN1 SY025101 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.72 O=S1(=O)CCCCO1 SY006382 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.72 O=S1(=O)CCNCC1 SY002390 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.72 O=S1(=O)CCNCC1 SY025546 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.72 O=S1(=O)CCOCC1 SY048211 [0,1,0,1,0,0|1,1,0]=4 160 B8R1.19 CN1CCCS1(=O)=O SY031095 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.70 CC1(S(N)(=O)=O)CC1 SY060253 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.70 NS(=O)(=O)C1(F)CC1 SY263694 [0,1,0,1,0,0|2,0,0]=4