0 B7R0.4 C#CCCCC(=O)O CS14686 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C=CCNCC(=O)O MC439317 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 CC#CCOC(C)=O MC434061 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 CC(=O)CCCCBr CS10627 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.4 CC(O)CCCCO MC112436 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 CCCCCB(O)O CS22305 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCCCC(C)O CS21570 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.4 CCCOCC(=O)O MC425744 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,0,0,0,0|0,0,2]=2 9 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 CN(C)CCCCO CS22813 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.4 COCCCC(C)N MC112163 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.4 NCCCCC(=O)O MC428108 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 NCCNCC(=O)O MC436179 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.4 O=C(O)CCCCBr MC41866 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.4 C#CCCC(=O)Cl MC106035 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 C#CCCC(N)=O MC106194 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|1,0,2]=4 21 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 CN(C)CCCBr CS22184 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 CN(C)CCCCl CS13505 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CN(C)CCCCl CS14943 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 CNCCN(C)C CS11723 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CNCCN(C)C CS15131 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|2,0,0]=3 37 B6R0.6 BrCCCCCBr MC41886 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 C#CCCCCO MC424004 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.6 C=CCCCCCl MC427568 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 C=CCCCCN MC111853 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.6 C=CCCCCO CS10397 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 C=CCCC[Zn]Br MC121349 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.6 C=COCCCN MC41859 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 CCCOCCCl MC428009 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.6 COCCCCBr CS22933 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 COCCCCCl MC428014 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.6 FCCCCCBr CS14708 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 FCCCC[Mg]Br MC116032 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 N#CCCCCCl CS10359 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 NCCCCCN CS19074 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 OCCCCCCl CS14778 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.6 OCCCCCO CS20549 [1,0,0,0,0,0|1,0,2]=4 54 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.6 CCCCCC(O)CCl MC114490 [0,1,0,0,0,0|0,0,2]=3 58 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.6 CCCSCC(=O)OC MC434048 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.6 OCCCCC(O)CO MC41917 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.7 CCCCCCB(O)O MC31067 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.7 CCNCCCN(C)C MC103675 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.7 COCCOCC(=O)O MC10458 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,0,0,0,0|1,0,0]=2 65 B8R0.7 N=C(N)NCCCCN MC436135 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.8 CCCCC(N)B(O)O MC442653 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,1,0,0,0,0|1,0,0]=2 72 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,1,0,0,0,0|1,0,0]=2 73 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,1,0,0,0,0|2,0,0]=3 81 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.8 NOCCC(N)C(=O)O MC100566 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.8 NOCCC(N)C(=O)O MC114097 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.21 CCCCCS(=O)(=O)[O-] MC445019 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.21 CCCCCS(=O)(=O)[O-] MC445025 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.21 CCOCCS(=O)(=O)Cl CS15940 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.21 CS(=O)(=O)CCCCN MC116558 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.28 CC(C)CCCC(C)N MC446672 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.1 CN1CCC(CN)C1 MC104144 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.1 CN1CCC(CN)C1 MC105308 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.1 CN1CCC(CO)C1 MC102370 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.1 CN1CCC(CO)C1 MC102371 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.1 NCC1CNC(=O)C1 MC101927 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.1 NCC1CNC(=O)C1 MC105678 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.1 NCC1CNC(=O)C1 MC121239 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.1 NCC1COC(=O)N1 MC104254 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.1 O=C1CC(CF)CO1 MC10217 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.1 O=C1NC(CO)CO1 MC427148 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,0,0,1,0,0|1,0,0]=2 112 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,1,0,0|1,0,0]=2 114 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,1,0,0|1,0,0]=2 116 B8R1.4 CC1CC(O)CCN1 MC102122 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.4 CC1CC(O)CCN1 MC102123 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.4 CC1CC(O)CCN1 MC102289 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.4 CC1CC(O)CCO1 MC31218 [0,0,0,1,0,0|1,0,2]=4 120 B8R1.4 CC1CCNC(C)C1 CS21125 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.4 CC1CN(C)CCN1 MC102815 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,1,0,0|2,0,0]=3 124 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.4 CC1CNCC(C)C1 CS14191 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.4 CC1CNCC(C)N1 CS18625 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.4 CC1CNCC(C)N1 CS21187 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.4 CC1CNCC(C)N1 MC103637 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.4 CC1CNCC(C)N1 MC104476 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.4 CC1CNCC(C)N1 MC444588 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 CC1CNCC(C)O1 MC121304 [0,0,0,1,0,0|1,0,2]=4 132 B8R1.4 CC1CNCC(C)O1 MC428243 [0,0,0,1,0,0|1,0,2]=4 133 B8R1.4 CC1CNCC(C)O1 MC444593 [0,0,0,1,0,0|1,0,2]=4 134 B8R1.4 CC1COCC(C)N1 MC103641 [0,0,0,1,0,0|2,0,1]=4 135 B8R1.4 CC1COCC(C)N1 MC104538 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.4 CC1COCC(C)N1 MC105667 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.4 CC1COCC(C)N1 MC105668 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.4 CC1COCC(C)N1 MC113396 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.4 CN1CCCC(N)C1 MC102357 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.4 CN1CCCC(N)C1 MC444039 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.4 CN1CCCC(N)C1 MC444227 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 CN1CCCC(O)C1 MC445500 [0,0,0,1,0,0|1,0,2]=4 144 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.4 NC1CCCC(N)C1 CS17066 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.4 NC1CCCC(O)C1 CS17342 [0,0,0,1,0,0|1,0,2]=4 148 B8R1.4 NC1CCCC(O)C1 CS18558 [0,0,0,1,0,0|1,0,2]=4 149 B8R1.4 NC1CCCC(O)C1 MC116000 [0,0,0,1,0,0|1,0,2]=4 150 B8R1.4 NC1CCCC(O)C1 MC116001 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,0,1,0,0|1,0,1]=3 154 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.6 CCOC1CC(N)C1 MC105049 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.6 CCOC1CC(N)C1 MC105050 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.6 CCOC1CC(N)C1 MC105051 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,0,0,1,0,0|0,0,0]=1 160 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,0,0,1,0,0|0,0,0]=1 161 B8R1.7 CN(C)C1CCNC1 CS20281 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.7 O=C([O-])C1CSCN1 MC436714 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.22 CC1CCNCCN1 MC104490 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.22 FC1CCCNCC1 MC103919 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.22 NC1CCCCNC1 CS18624 [0,0,0,1,0,0|2,0,1]=4 185 B8R1.22 NC1CCCCNC1 MC104803 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.22 NC1CCCCNC1 MC425605 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,0,1,0,0|1,0,0]=2 188 B8R1.22 O=C1CCNCCN1 CS18857 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.22 O=C1CCSCCN1 MC121122 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.22 O=S1CCCNCC1 MC100495 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,1,0,0|2,0,0]=3 192 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,1,0,0|2,0,0]=3 194 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,0,0,1,0,0|1,0,2]=4 196 B8R1.34 CC(=O)SC1CNC1 MC103969 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.34 CN(C)CC1CNC1 MC105529 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.34 CN(C)CC1CNC1 MC105530 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.34 CN(C)CC1CNC1 MC113080 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,0,0,1,0,0|1,0,0]=2 201 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.34 O=C(O)CC1COC1 MC444158 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.34 O=[N+]([O-])CC1COC1 MC113199 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|1,0,0]=2 206 B8R1.72 CC1(C)CCNCC1 CS13819 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.72 CC1(N)CCOCC1 CS14346 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.72 CC1(N)CCOCC1 MC106879 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.72 CC1(O)CCCNC1 MC444294 [0,0,0,1,0,0|1,0,2]=4 210 B8R1.72 CC1(O)CCNCC1 MC443374 [0,0,0,1,0,0|1,0,2]=4 211 B8R1.72 CC1(O)CCOCC1 CS12641 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.72 O=S1(=O)CCCCN1 MC428209 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.72 O=S1(=O)CCNCC1 CS16686 [0,0,0,1,0,0|3,0,0]=4 214 B5R0.1 C=C(C)CCBr CS14513 [2,0,0,0,0,0|2,0,0]=4 215 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|0,0,0]=2 216 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|2,0,0]=4 217 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|2,0,0]=4 218 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 219 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 224 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.2 BrCCCCBr MC41885 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,0]=3 229 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.2 CCOCCBr CS21396 [2,0,0,0,0,0|2,0,0]=4 231 B5R0.2 CCOCCCl MC428008 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.2 CNCCCO CS14200 [2,0,0,0,0,0|1,0,1]=4 233 B5R0.2 CNCCNC CS15116 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|2,0,0]=4 235 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|2,0,0]=4 236 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|2,0,0]=4 239 B5R0.2 NCCCCBr CS14979 [2,0,0,0,0,0|2,0,0]=4 240 B5R0.2 NCCCCN CS19906 [2,0,0,0,0,0|2,0,0]=4 241 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|0,0,1]=3 242 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.2 COC(=O)CC(C)=O MC41927 [1,1,0,0,0,0|1,0,1]=4 244 B7R0.2 NCC(O)CC(=O)O CS16710 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.3 C#CCCC(=O)OC MC424002 [1,1,0,0,0,0|0,0,2]=4 246 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,0]=3 248 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,0]=3 249 B7R0.3 COCCC(=O)NN MC111753 [1,1,0,0,0,0|2,0,0]=4 250 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|1,0,0]=3 252 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|1,0,0]=3 253 B7R0.5 CCCC(N)C(N)=O MC438024 [1,1,0,0,0,0|1,0,0]=3 254 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|2,0,0]=4 255 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|2,0,0]=4 256 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|2,0,0]=4 257 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|2,0,0]=4 258 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|2,0,0]=4 259 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|2,0,0]=4 260 B7R0.5 NC(CCO)C(=O)O CS13886 [1,1,0,0,0,0|2,0,0]=4 261 B7R0.5 NC(CCO)C(=O)O CS16701 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.5 NC(CCO)C(=O)O CS22620 [1,1,0,0,0,0|2,0,0]=4 263 B7R0.5 NCCC(N)C(=O)O CS13874 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.5 NCCC(N)C(=O)O CS15080 [1,1,0,0,0,0|2,0,0]=4 265 B7R0.5 NCCC(N)C(=O)O MC436921 [1,1,0,0,0,0|2,0,0]=4 266 B7R0.5 NCCC(N)C(=O)O MC439091 [1,1,0,0,0,0|2,0,0]=4 267 B7R0.5 NCCC(N)C(=O)O MC439321 [1,1,0,0,0,0|2,0,0]=4 268 B7R0.5 NCCC(O)C(=O)O CS15496 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.5 NCCC(O)C(=O)O CS21759 [1,1,0,0,0,0|2,0,0]=4 270 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,1,0,0,0,0|1,0,1]=4 272 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.6 CC(C)CCC(C)N MC446673 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.6 CN(C)CCC(=O)O CS12169 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.8 CCCCS(=O)(=O)Cl MC32076 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.8 CCCCS(=O)(=O)F MC32077 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.8 CCCCS(=O)(=O)O MC32078 [1,1,0,0,0,0|2,0,0]=4 279 B7R0.8 CCCCS(=O)(=O)[O-] MC32079 [1,1,0,0,0,0|2,0,0]=4 280 B7R0.8 CCCCS(N)(=O)=O MC32080 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.1 BrCCCCCCBr CS20550 [1,1,0,0,0,0|1,0,1]=4 282 B7R0.1 C#CCCCCCO CS10705 [1,1,0,0,0,0|0,0,2]=4 283 B7R0.1 C=CCCCCCBr CS19607 [1,1,0,0,0,0|0,0,1]=3 284 B7R0.1 COCCOCCN MC431493 [1,1,0,0,0,0|2,0,0]=4 285 B7R0.1 COCOCCC=O MC445436 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.1 N#CCCCCCBr MC41862 [1,1,0,0,0,0|1,0,1]=4 287 B7R0.1 OCCCCCCBr CS14335 [1,1,0,0,0,0|0,0,2]=4 288 B7R0.1 [N-]=[N+]=NCCCC=O MC121280 [1,1,0,0,0,0|2,0,0]=4 289 B7R0.7 CCCC(N)CCO CS16692 [1,1,0,0,0,0|0,0,2]=4 290 B7R0.7 COCC(N)COC CS21215 [1,1,0,0,0,0|2,0,0]=4 291 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,2,0,0,0,0|1,0,0]=3 292 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,2,0,0,0,0|1,0,0]=3 293 B9R0.6 CCOC(=O)C(C)C(C)=O CS19187 [0,2,0,0,0,0|1,0,1]=4 294 B9R0.6 CCOC(=O)C(F)C(C)=O MC32203 [0,2,0,0,0,0|1,0,1]=4 295 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,2,0,0,0,0|1,0,0]=3 296 B9R0.34 CCOC(=O)CC(=O)CBr CS13599 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.34 CCOC(=O)CC(=O)CN MC116410 [0,2,0,0,0,0|1,0,1]=4 299 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,2,0,0,0,0|1,0,1]=4 301 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,2,0,0,0,0|1,0,0]=3 302 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,2,0,0,0,0|1,0,0]=3 304 B9R0.5 CCCCCC(C)CCBr MC112329 [0,2,0,0,0,0|1,0,1]=4 305 B9R0.5 CCCCCC(C)CCO MC112328 [0,2,0,0,0,0|0,0,2]=4 306 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.5 CCOC(=O)CCCCN CS14354 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.5 CCOC(=O)CNCCN MC436180 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,2,0,0,0,0|0,0,0]=2 310 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,2,0,0,0,0|0,0,0]=2 311 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,2,0,0,0,0|1,0,0]=3 313 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,2,0,0,0,0|1,0,0]=3 314 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,2,0,0,0,0|1,0,0]=3 315 B9R0.20 CCS(=O)(=O)CCCCN MC116554 [0,2,0,0,0,0|2,0,0]=4 316 B9R0.24 COC(=O)CCS(=O)OC MC425069 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|0,0,0]=2 318 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,2,0,0,0,0|2,0,0]=4 319 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,2,0,0,0,0|1,0,0]=3 320 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,2,0,0,0,0|1,0,0]=3 321 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,2,0,0,0,0|1,0,0]=3 322 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,2,0,0,0,0|1,0,0]=3 323 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,2,0,0,0,0|1,0,0]=3 324 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,2,0,0,0,0|1,0,0]=3 325 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,2,0,0,0,0|1,0,0]=3 327 B9R0.47 NCCCCC(N)C(N)=O MC437847 [0,2,0,0,0,0|1,0,0]=3 328 B9R0.47 NCCCCC(N)C(N)=O MC437848 [0,2,0,0,0,0|1,0,0]=3 329 B9R0.47 NCCSCC(N)C(=O)O MC436895 [0,2,0,0,0,0|2,0,0]=4 330 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,2,0,0,0,0|1,0,0]=3 331 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,2,0,0,0,0|1,0,0]=3 332 B9R0.2 CCCSCCCC(=O)O MC112372 [0,2,0,0,0,0|1,0,0]=3 333 B9R0.2 NCCCCCCC(=O)O CS10138 [0,2,0,0,0,0|1,0,0]=3 334 B9R0.2 O=C(O)CCCCCCO CS10820 [0,2,0,0,0,0|1,0,0]=3 335 B9R0.2 [N-]=[N+]=NCCCCC(=O)O MC113086 [0,2,0,0,0,0|2,0,0]=4 336 B9R0.38 CCCCCCS(=O)(=O)[O-] MC445020 [0,2,0,0,0,0|2,0,0]=4 337 B9R0.38 CCCCCCS(=O)(=O)[O-] MC445026 [0,2,0,0,0,0|2,0,0]=4 338 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|1,0,0]=3 339 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.55 O=C(Cl)CCCCC(=O)Cl MC40434 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,2,0,0,0,0|1,0,0]=3 346 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,2,0,0,0,0|2,0,0]=4 347 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,2,0,0,0,0|1,0,0]=3 348 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,2,0,0,0,0|1,0,0]=3 349 B9R0.13 CNC(CCCN)C(=O)O MC435491 [0,2,0,0,0,0|2,0,0]=4 350 B9R0.13 CNC(CCCN)C(=O)O MC435492 [0,2,0,0,0,0|2,0,0]=4 351 B9R0.13 CNC(CCSC)C(=O)O MC435530 [0,2,0,0,0,0|2,0,0]=4 352 B9R0.51 COCCC(C)(N)C(=O)O MC106310 [0,2,0,0,0,0|2,0,0]=4 353 B9R0.43 CC(=O)SCC(CN)CN MC112757 [0,2,0,0,0,0|2,0,0]=4 354 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 355 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.2 CC1CCC(C)N1 MC102818 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,0]=3 360 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 365 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.3 BrC1CCCCC1 CS11079 [1,0,0,1,0,0|1,0,1]=4 367 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,1,0,0|1,0,1]=4 368 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|0,0,2]=4 369 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,0]=3 370 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,0]=3 371 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,1,0,0|1,0,0]=3 372 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,0]=3 374 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,1,0,0|1,0,0]=3 375 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,1,0,0|1,0,0]=3 377 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|2,0,0]=4 379 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.10 NCC1CC(=O)C1 MC444212 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.10 NCC1CC(=O)N1 MC111758 [1,0,0,1,0,0|2,0,0]=4 383 B7R1.10 O=C1CC(CI)N1 MC111759 [1,0,0,1,0,0|2,0,0]=4 384 B7R1.10 O=C1CC(CO)C1 MC113039 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|1,0,0]=3 386 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,0]=3 388 B7R1.12 NC(=O)C1CC1F MC102846 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|2,0,0]=4 390 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|2,0,0]=4 391 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|2,0,0]=4 392 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|2,0,0]=4 393 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|2,0,0]=4 395 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|2,0,0]=4 397 B7R1.14 CC1(O)CCCC1 CS20768 [1,0,0,1,0,0|0,0,2]=4 398 B7R1.18 CC(O)C1CCC1 CS20672 [1,0,0,1,0,0|0,0,2]=4 399 B7R1.18 NC(=O)C1CNC1 MC10515 [1,0,0,1,0,0|2,0,0]=4 400 B7R1.18 NC(=O)C1CNC1 MC10516 [1,0,0,1,0,0|2,0,0]=4 401 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|1,0,0]=3 402 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|2,0,0]=4 404 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|2,0,0]=4 406 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|2,0,0]=4 407 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.20 N=C(N)CC1CC1 MC114877 [1,0,0,1,0,0|2,0,0]=4 411 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|1,0,0]=3 412 B7R1.1 BrCC1CCCC1 MC20145 [1,0,0,1,0,0|1,0,1]=4 413 B7R1.1 Br[Zn]C1CCCC1 MC121342 [1,0,0,1,0,0|2,0,0]=4 414 B7R1.1 CCC1CCCN1 MC110951 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.1 CNC1CCOC1 MC104966 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.1 CNC1CCOC1 MC105597 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.1 COC1CCCN1 MC41692 [1,0,0,1,0,0|2,0,0]=4 418 B7R1.1 COC1CCNC1 CS12136 [1,0,0,1,0,0|2,0,0]=4 419 B7R1.1 COC1CCNC1 CS12137 [1,0,0,1,0,0|2,0,0]=4 420 B7R1.1 COC1CCNC1 CS22350 [1,0,0,1,0,0|2,0,0]=4 421 B7R1.1 FCC1CCNC1 MC103199 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.1 N#CC1CCCC1 MC433761 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.1 NCC1CCCC1 CS14873 [1,0,0,1,0,0|1,0,1]=4 424 B7R1.1 NCC1CCNC1 MC431426 [1,0,0,1,0,0|2,0,0]=4 425 B7R1.1 NCC1CCOC1 MC102307 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.1 NCC1CCOC1 MC103862 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.1 NCC1CCOC1 MC115675 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.1 NCC1CCOC1 MC121256 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|0,0,2]=4 430 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|0,0,0]=2 431 B7R1.1 OCC1CC=CC1 CS20734 [1,0,0,1,0,0|1,0,1]=4 432 B7R1.1 OCC1CCCC1 CS11185 [1,0,0,1,0,0|0,0,2]=4 433 B7R1.1 OCC1CCNC1 CS11284 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.1 OCC1CCNC1 CS16764 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.1 OCC1CCNC1 CS18341 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.1 OCC1CCNC1 MC102405 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.1 OCC1CCNC1 MC115660 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.1 OCC1CCOC1 MC113000 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.1 OCC1CCOC1 MC113001 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.1 OCC1CCOC1 MC427704 [1,0,0,1,0,0|2,0,0]=4 441 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.6 COCC1CCN1 MC103809 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.6 COCC1CCN1 MC103810 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.6 COCC1CNC1 MC444220 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.6 NNCC1CCC1 MC106836 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.8 CN1CCC1CN MC104666 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.8 CN1CCC1CN MC104667 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.8 CN1CCC1CN MC105491 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|1,0,0]=3 460 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|1,0,0]=3 461 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.24 C1CNCCNC1 MC31155 [1,0,0,1,0,0|2,0,0]=4 463 B7R1.24 C1CNCCOC1 CS17007 [1,0,0,1,0,0|2,0,0]=4 464 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,1,0,1,0,0|0,0,0]=2 465 B9R1.7 CCNC1CCN(C)C1 MC103676 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,1,0,1,0,0|0,0,2]=4 467 B9R1.7 CN1CCC(CCO)C1 MC102377 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.13 CN(C)CC1CCCN1 MC100101 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.13 CN(C)CC1CCCN1 MC105476 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.13 O=C(Cl)OC1CCCC1 CS11187 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,1,0,1,0,0|1,0,0]=3 472 B9R1.13 O=C(O)CC1CCCN1 MC106679 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,1,0,1,0,0|1,0,0]=3 475 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,1,0,0|0,0,1]=3 477 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.41 O=C(Cl)C1CCCC1=O MC106033 [0,1,0,1,0,0|1,0,1]=4 481 B9R1.41 O=C(O)C1NCCC1O MC105345 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.41 O=C(O)C1NCCC1O MC105346 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.41 O=C(O)C1NCCC1O MC105412 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|0,0,1]=3 485 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 486 B9R1.53 CC(=O)NC1CC(N)C1 MC104659 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,1,0,1,0,0|0,0,0]=2 492 B9R1.1 CNC1CCC(=O)CC1 CS14610 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.1 COC1CCC(=O)CC1 CS14437 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.1 N#CC1CCC(=O)CC1 CS13355 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.1 NCC1CCC(=O)NC1 MC101985 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.1 O=CC1CCC(=O)CC1 MC112097 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.2 CC1CCCC(CO)N1 MC104326 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.2 CN1CCCC(CN)C1 CS18007 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.2 CN1CCCC(CN)C1 MC103935 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.2 CN1CCCC(CO)C1 MC425692 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|1,0,0]=3 503 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|1,0,0]=3 504 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,1,0,0|1,0,1]=4 506 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,1,0,1,0,0|1,0,1]=4 507 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.5 CN1CCCNCC1=O MC100103 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.5 NC1CCCCNC1=O CS15569 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.5 NC1CCCCNC1=O CS15816 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.5 NC1CCCCNC1=O MC425745 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.5 NC1CSCCNC1=O MC100169 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|0,0,2]=4 517 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,1,0,1,0,0|1,0,0]=3 520 B9R1.11 COC(=O)C1CCNC1 MC103933 [0,1,0,1,0,0|1,0,0]=3 521 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.49 CN1CCCC(N)CC1 MC444311 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.49 CN1CCCC(O)CC1 CS13879 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.50 O=C1CCCCCCN1 CS21316 [0,1,0,1,0,0|0,0,0]=2 525 B9R1.79 COC(=O)CC1CNC1 MC113002 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.79 COC(=O)CC1CNC1 MC444523 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.81 COC(=O)C1CCC1N MC103768 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.118 C#CC1(C)CCCCC1 MC114544 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.118 CCC1(O)CCCCC1 MC111123 [0,1,0,1,0,0|0,0,2]=4 530 B9R1.118 OC1(CBr)CCCCC1 MC107759 [0,1,0,1,0,0|0,0,2]=4 531 B9R1.132 CN1C(=O)CCC1CO MC102373 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,1,0,1,0,0|0,0,1]=3 533 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,1,0,1,0,0|0,0,1]=3 534 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,1,0,1,0,0|0,0,0]=2 535 B9R1.6 CC(=O)N1CCNCC1 CS18512 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.6 CN(C)C1CCNCC1 CS14539 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.6 N=C(N)N1CCCCC1 MC106899 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,1,0,1,0,0|1,0,0]=3 539 B9R1.6 NC(=O)C1CCCNC1 CS18298 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.6 NC(=O)C1CCCNC1 MC103934 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.6 NC(=O)C1CCCNC1 MC105293 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.6 NC(=O)C1CCNCC1 CS22309 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,1,0,1,0,0|1,0,0]=3 549 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,1,0,1,0,0|1,0,0]=3 550 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,1,0,0|1,0,0]=3 551 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,1,0,0|1,0,0]=3 552 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,1,0,0|1,0,0]=3 553 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,1,0,0|1,0,0]=3 555 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,1,0,0|1,0,0]=3 556 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,1,0,0|1,0,0]=3 557 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.6 O=C(O)C1CNCCN1 CS16953 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.6 O=C(O)C1CNCCN1 CS17152 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.6 O=C(O)C1CNCCN1 CS22631 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.6 O=C(O)C1CNCCN1 CS22824 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.6 O=C(O)C1CNCCO1 CS21703 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.6 O=C(O)C1CNCCO1 MC444042 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.6 O=C(O)C1CNCCO1 MC444064 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.6 O=C(O)C1COCCN1 CS16814 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.6 O=C(O)C1COCCN1 CS17811 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.148 O=S1(=O)CCCNCC1 MC100270 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.35 NC(=O)C1CC(F)CN1 MC114665 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,1,0,1,0,0|2,0,0]=4 582 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,1,0,1,0,0|1,0,1]=4 595 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,1,0,1,0,0|1,0,1]=4 596 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,1,0,1,0,0|1,0,1]=4 597 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.95 CC(=O)N1CC(CO)C1 MC111767 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,1,0,1,0,0|2,0,0]=4 601 B9R1.95 NCC1CC(C(=O)O)C1 MC105165 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.110 NC(C(=O)O)C1COC1 MC101964 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.163 CC1(C(=O)O)CCCN1 MC10549 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.163 CC1(C(=O)O)CCCN1 MC437940 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.163 CC1(C(=O)O)CCOC1 MC103813 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.163 NC(=O)C1(N)CCCC1 CS18509 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [0,1,0,1,0,0|1,0,0]=3 613 B9R1.163 NC1(C(=O)O)CCOC1 MC20730 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.163 O=C(O)C1(F)CCNC1 MC104696 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.10 CC1(C)CCC(O)CC1 CS22482 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.10 CC1(N)CCC(O)CC1 MC103484 [0,1,0,1,0,0|1,0,1]=4 619 B9R1.10 CC1(O)CCC(N)CC1 MC102206 [0,1,0,1,0,0|0,0,2]=4 620 B9R1.10 CC1(O)CCC(N)CC1 MC102207 [0,1,0,1,0,0|0,0,2]=4 621 B9R1.10 CC1(O)CCC(N)CC1 MC102208 [0,1,0,1,0,0|0,0,2]=4 622 B9R1.10 NC1CCS(=O)(=O)CC1 CS22595 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.10 NC1CCS(=O)(=O)CC1 MC444070 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,1,0,0|1,0,1]=4 625 B9R1.133 NCC1CCS(=O)(=O)C1 MC104488 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.19 CS(=O)(=O)C1CCNC1 MC121084 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.19 CS(=O)(=O)C1CCNC1 MC444060 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.19 CS(=O)(=O)C1CCNC1 MC444222 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.114 O=S(=O)(Cl)CC1CCC1 MC107726 [0,1,0,1,0,0|2,0,0]=4 630 B9R2.68 C1CC2CCC(C1)N2 MC444465 [0,0,0,2,0,0|1,0,1]=4 631 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|0,0,0]=2 632 B9R2.138 NC1CC2(CCC2)C1 MC105381 [0,0,0,2,0,0|1,0,1]=4 633 B9R2.138 O=C1CC2(CCC2)C1 MC103861 [0,0,0,2,0,0|0,0,0]=2 634 B9R2.138 O=C1CC2(COC2)C1 MC102066 [0,0,0,2,0,0|1,0,0]=3 635 B9R2.138 O=C1CC2(CSC2)C1 MC444201 [0,0,0,2,0,0|1,0,0]=3