0 B7R0.4 C#CCCCC(=O)O CS14686 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.4 C=CCNCC(=O)O MC439317 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CC(=O)CCCCBr CS10627 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CCCCCB(O)O CS22305 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 CCCCCC(C)O CS21570 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CCCOCC(=O)O MC425744 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,0,0,0,0,0|0,0,3]=3 11 B7R0.4 NCCCCC(=O)O MC428108 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.4 NCCNCC(=O)O MC436179 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 O=C(O)CCCCBr MC41866 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|0,0,3]=4 15 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|0,0,3]=4 16 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CC(=O)NCCCl MC33011 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|1,0,2]=4 28 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.6 CCCCNC(=O)CCl CS11766 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.6 CCCSCC(=O)OC MC434048 [0,1,0,0,0,0|1,0,1]=3 35 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,1,0,0,0,0|0,0,2]=3 36 B8R0.7 COCCOCC(=O)O MC10458 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,0,0,0,0|0,0,2]=3 39 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,1,0,0,0,0|0,0,2]=3 41 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,1,0,0,0,0|0,0,2]=3 42 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,1,0,0,0,0|0,0,2]=3 43 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,1,0,0,0,0|1,0,2]=4 45 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.8 NCCCC(N)C(=O)O CS22279 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.8 NCCCC(N)C(=O)O MC438045 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.8 NCCCC(N)C(=O)O MC439200 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,1,0,0,0,0|1,0,0]=2 55 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,1,0,0,0,0|1,0,0]=2 56 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.1 NCC1CNC(=O)O1 MC103408 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,0,0,1,0,0|1,0,0]=2 59 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,0,0,1,0,0|1,0,2]=4 69 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,0,0,1,0,0|1,0,2]=4 70 B8R1.7 NC(=O)C1CCCN1 CS22629 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.7 NC(=O)C1CCCN1 MC438122 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.7 NC(=O)C1CCCN1 MC438123 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.7 NC(=O)C1CCCN1 MC438124 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.7 NC(=O)C1CCCN1 MC438125 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,1,0,0|1,0,2]=4 78 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,1,0,0|1,0,2]=4 81 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,0,0,1,0,0|2,0,1]=4 83 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,1,0,0|1,0,2]=4 88 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,0,0,1,0,0|1,0,2]=4 95 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,0,0,1,0,0|1,0,2]=4 96 B8R1.7 O=C(O)C1CCCN1 CS18287 [0,0,0,1,0,0|1,0,1]=3 97 B8R1.7 O=C(O)C1CCCN1 CS18742 [0,0,0,1,0,0|1,0,1]=3 98 B8R1.7 O=C(O)C1CCCN1 CS22249 [0,0,0,1,0,0|1,0,1]=3 99 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,0,0,1,0,0|1,0,1]=3 100 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,0,0,1,0,0|1,0,1]=3 101 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,0,0,1,0,0|1,0,1]=3 102 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,0,0,1,0,0|1,0,2]=4 104 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,0,0,1,0,0|1,0,2]=4 105 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.7 O=C(O)C1CSCN1 CS15627 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.7 O=C(O)C1CSCN1 MC20446 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.7 O=C(O)C1NCCS1 CS16514 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.7 OB(O)C1=CCCC1 CS11186 [0,0,0,1,0,0|1,0,1]=3 110 B8R1.31 NC1CCC1C(=O)O MC104253 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.31 NC1CCC1C(=O)O MC104335 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.31 NC1CCC1C(=O)O MC104421 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.31 NC1CCC1C(=O)O MC105420 [0,0,0,1,0,0|1,0,2]=4 114 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.34 O=C(O)CC1CCC1 CS11177 [0,0,0,1,0,0|0,0,2]=3 116 B8R1.34 O=C(O)CC1CNC1 MC103917 [0,0,0,1,0,0|1,0,2]=4 117 B8R1.34 O=C(O)CC1CNC1 MC444240 [0,0,0,1,0,0|1,0,2]=4 118 B8R1.34 O=C(O)CC1COC1 MC444158 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|0,0,2]=3 120 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 121 B5R0.1 CCCB(O)O CS14802 [2,0,0,0,0,0|1,0,1]=4 122 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|1,0,0]=3 123 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|1,0,1]=4 124 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 127 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,0]=3 128 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 C\C=C\B(O)O MC116392 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,0]=2 133 B5R0.1 N#CCC(=O)O MC41881 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.2 OC\C=C\CCl MC10262 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.2 OC\C=C\CO MC41968 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.2 OC\C=C\CO MC424009 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.2 CCC(=O)CC(C)=O CS21124 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.2 CCC(=O)OC(C)=O CS16382 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.2 NCC(O)CC(=O)O CS16710 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.3 COC(=O)\C=C\CBr CS13509 [1,1,0,0,0,0|1,0,0]=3 147 B7R0.3 CO\C=C\C(=O)OC CS11630 [1,1,0,0,0,0|1,0,0]=3 148 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|0,0,1]=3 149 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|0,0,1]=3 150 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|0,0,1]=3 151 B7R0.5 CCCC(N)C(N)=O MC438024 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.5 NC(CCO)C(=O)O CS13886 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.5 NC(CCO)C(=O)O CS16701 [1,1,0,0,0,0|1,0,1]=4 160 B7R0.5 NC(CCO)C(=O)O CS22620 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.5 NCCC(N)C(=O)O CS13874 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.5 NCCC(N)C(=O)O CS15080 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.5 NCCC(N)C(=O)O MC436921 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.5 NCCC(N)C(=O)O MC439091 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.5 NCCC(N)C(=O)O MC439321 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.5 NCCC(O)C(=O)O CS15496 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.5 NCCC(O)C(=O)O CS21759 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,1,0,0,0,0|0,0,2]=4 169 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,1,0,0,0,0|0,0,2]=4 170 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|1,0,1]=4 171 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|0,0,1]=3 172 B7R0.6 CN(C)CCC(=O)O CS12169 [1,1,0,0,0,0|1,0,1]=4 173 B7R0.8 CCCCS(=O)(=O)O MC32078 [1,1,0,0,0,0|1,0,1]=4 174 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,2,0,0,0,0|0,0,2]=4 175 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,2,0,0,0,0|0,0,2]=4 176 B9R0.23 CCC(C)C(N)CC(=O)O MC439106 [0,2,0,0,0,0|0,0,2]=4 177 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,2,0,0,0,0|0,0,2]=4 181 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,2,0,0,0,0|1,0,0]=3 182 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|1,0,0]=3 183 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,2,0,0,0,0|0,0,2]=4 184 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,2,0,0,0,0|0,0,2]=4 185 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,2,0,0,0,0|0,0,2]=4 186 B9R0.46 COC(=O)CCCCCN CS11662 [0,2,0,0,0,0|0,0,2]=4 187 B9R0.47 NCCCCC(N)C(=O)O CS18635 [0,2,0,0,0,0|0,0,2]=4 188 B9R0.47 NCCCCC(N)C(=O)O CS18638 [0,2,0,0,0,0|0,0,2]=4 189 B9R0.47 NCCCCC(N)C(=O)O CS19147 [0,2,0,0,0,0|0,0,2]=4 190 B9R0.47 NCCCCC(N)C(=O)O CS19277 [0,2,0,0,0,0|0,0,2]=4 191 B9R0.47 NCCCCC(N)C(=O)O MC20432 [0,2,0,0,0,0|0,0,2]=4 192 B9R0.47 NCCCCC(N)C(=O)O MC435005 [0,2,0,0,0,0|0,0,2]=4 193 B9R0.47 NCCCCC(N)C(=O)O MC439006 [0,2,0,0,0,0|0,0,2]=4 194 B9R0.2 CCCSCCCC(=O)O MC112372 [0,2,0,0,0,0|0,0,2]=4 195 B9R0.2 NCCCCCCC(=O)O CS10138 [0,2,0,0,0,0|0,0,2]=4 196 B9R0.2 O=C(O)CCCCCCO CS10820 [0,2,0,0,0,0|0,0,2]=4 197 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|1,0,1]=4 199 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,2,0,0,0,0|0,0,2]=4 200 B9R0.13 CCCCC(NC)C(=O)O MC435132 [0,2,0,0,0,0|0,0,2]=4 201 B9R0.13 CCCCC(NC)C(=O)O MC435489 [0,2,0,0,0,0|0,0,2]=4 202 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 204 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.3 O=C1C=CCCN1 CS15771 [1,0,0,1,0,0|1,0,0]=3 207 B7R1.3 O=C1C=CCOC1 CS17023 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|0,0,1]=3 210 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,1,0,0|1,0,1]=4 211 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,1,0,0|1,0,1]=4 212 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|0,0,1]=3 213 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|0,0,1]=3 214 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|0,0,1]=3 224 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|0,0,1]=3 233 B7R1.1 CCN1C=CC=N1 CS20681 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|0,0,0]=2 237 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|0,0,2]=4 238 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,1,0,0|1,0,1]=4 239 B7R1.4 CN1N=CC=C1O CS10399 [1,0,0,1,0,0|2,0,0]=4 240 B9R1.7 CCCC1=CSC(N)=N1 CS13157 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,1,0,1,0,0|0,0,2]=4 242 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.7 CCOC1=NOC(C)=C1 MC427143 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.7 COCC1=CC(N)=NO1 MC107872 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.7 NCCC1=CN=C(O)S1 MC110548 [0,1,0,1,0,0|1,1,0]=4 246 B9R1.7 NCCC1=CN=C(O)S1 MC429101 [0,1,0,1,0,0|1,1,0]=4 247 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,1,0,1,0,0|0,0,2]=4 248 B9R1.13 O=C(O)CC1CCCN1 MC106679 [0,1,0,1,0,0|0,0,2]=4 249 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,1,0,1,0,0|0,0,2]=4 250 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,1,0,1,0,0|0,0,2]=4 251 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,1,0,1,0,0|0,0,2]=4 252 B9R1.34 CC1=CC(O)=CC(=O)O1 CS15586 [0,1,0,1,0,0|0,0,2]=4 253 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,1,0,1,0,0|0,0,2]=4 255 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,1,0,1,0,0|0,0,2]=4 256 B9R1.41 CC1=C(C(=O)O)C=NO1 CS17770 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,1,0,1,0,0|0,0,2]=4 260 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,1,0,1,0,0|0,0,2]=4 262 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [0,1,0,1,0,0|1,0,1]=4 265 B9R1.41 CC1=NOC=C1C(=O)O CS18046 [0,1,0,1,0,0|1,0,1]=4 266 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,1,0,1,0,0|1,0,1]=4 267 B9R1.41 CN1C=NC=C1C(=O)O CS20748 [0,1,0,1,0,0|1,0,1]=4 268 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,1,0,1,0,0|0,0,2]=4 269 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,1,0,1,0,0|0,0,2]=4 270 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.41 CN1N=NC=C1C(=O)O MC115903 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.41 O=C(Cl)C1CCCC1=O MC106033 [0,1,0,1,0,0|1,0,1]=4 273 B9R1.41 O=C(O)C1CCNC1=O MC105243 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.41 O=C(O)C1NCCC1O MC105345 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.41 O=C(O)C1NCCC1O MC105346 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.41 O=C(O)C1NCCC1O MC105412 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,1,0,1,0,0|1,0,1]=4 279 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,1,0,1,0,0|0,0,2]=4 280 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,1,0,1,0,0|0,0,2]=4 281 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,1,0,1,0,0|0,0,2]=4 282 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [0,1,0,1,0,0|1,0,1]=4 283 B9R1.3 CC1=C(O)C(=O)C=CO1 MC21095 [0,1,0,1,0,0|1,0,1]=4 284 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|0,0,0]=2 285 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,1,0,1,0,0|1,0,1]=4 286 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,1,0,1,0,0|1,0,1]=4 287 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.79 COC(=O)C=C1COC1 MC444517 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.6 O=C(Cl)C1=CCOCC1 MC106029 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.6 O=C(O)C1=CCOCC1 MC105969 [0,1,0,1,0,0|0,0,0]=2 293 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [0,1,0,1,0,0|0,0,2]=4 294 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [0,1,0,1,0,0|0,0,2]=4 295 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,1,0,1,0,0|0,0,2]=4 296 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,1,0,1,0,0|0,0,2]=4 297 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,1,0,1,0,0|0,0,2]=4 299 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,1,0,1,0,0|0,0,2]=4 300 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,1,0,1,0,0|0,0,2]=4 301 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,1,0,1,0,0|0,0,2]=4 303 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,1,0,1,0,0|0,0,2]=4 304 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,1,0,1,0,0|0,0,2]=4 305 B9R1.6 O=C(O)C1CCNCC1 CS15208 [0,1,0,1,0,0|0,0,2]=4 306 B9R1.6 O=C(O)C1CCNCC1 CS22807 [0,1,0,1,0,0|0,0,2]=4 307 B9R1.6 O=C(O)C1CCOCC1 CS18392 [0,1,0,1,0,0|0,0,2]=4 308 B9R1.6 O=C(O)C1CNCCN1 CS16953 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.6 O=C(O)C1CNCCN1 CS17152 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.6 O=C(O)C1CNCCN1 CS22631 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.6 O=C(O)C1CNCCN1 CS22824 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.6 O=C(O)C1CNCCO1 CS21703 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.6 O=C(O)C1CNCCO1 MC444042 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.6 O=C(O)C1CNCCO1 MC444064 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.6 O=C(O)C1COCCN1 CS16814 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.6 O=C(O)C1COCCN1 CS17811 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.6 OB(O)C1=CCCCC1 CS18401 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.6 OB(O)C1=CCOCC1 MC100659 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,1,0,1,0,0|0,0,2]=4 321 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,1,0,0|0,0,2]=4 323 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,1,0,0|0,0,2]=4 324 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,1,0,1,0,0|0,0,2]=4 331 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,1,0,1,0,0|0,0,2]=4 333 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,1,0,1,0,0|0,0,2]=4 334 B9R1.35 O=C(O)C1CC(F)CN1 MC104337 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.35 O=C(O)C1CC(F)CN1 MC113882 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.35 O=C(O)C1CC(F)CN1 MC437016 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.35 O=C(O)C1CC(F)CN1 MC437017 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.35 O=C(O)C1CC(F)CN1 MC444013 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,1,0,1,0,0|1,0,1]=4 344 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.35 O=C(O)C1CC(S)CN1 MC112474 [0,1,0,1,0,0|1,0,1]=4 347 B9R1.110 NC(C(=O)O)C1CCC1 MC444160 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.110 NC(C(=O)O)C1CCC1 MC444508 [0,1,0,1,0,0|0,0,2]=4 349 B9R1.112 CC(NC1CC1)C(=O)O MC436876 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.112 NC(CC1CC1)C(=O)O CS18682 [0,1,0,1,0,0|0,0,2]=4 351 B9R1.163 CC1(C(=O)O)CCCN1 MC10549 [0,1,0,1,0,0|1,0,1]=4 352 B9R1.163 CC1(C(=O)O)CCCN1 MC437940 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.163 NC1(C(=O)O)CCCC1 CS18420 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.163 O=C(O)C1(F)CCCC1 MC443736 [0,1,0,1,0,0|0,0,2]=4 355 B9R1.163 O=C(O)C1(O)CCCC1 CS20733 [0,1,0,1,0,0|0,0,2]=4