0 B7R0.4 C=CCNCC(=O)O MC439317 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CCCOCC(=O)O MC425744 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CCO\C=C\C(=O)O CS22271 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,0,0,0,0,0|0,0,1]=1 7 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|0,0,2]=3 8 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,0,0,0,0|2,0,0]=3 10 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,1,0,0,0,0|0,0,0]=1 11 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,1,0,0,0,0|1,0,1]=3 14 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,1,0,0,0,0|1,0,1]=3 15 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [0,0,0,1,0,0|2,1,0]=4 17 B8R1.1 N#CC1=CC=C(Br)O1 MC432195 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.1 O=C1C=CC(CO)O1 MC20390 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [0,0,0,1,0,0|2,1,0]=4 21 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 BrC1=CC(I)=CC=C1 MC433479 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 BrC1=CC=CC(Br)=C1 CS19814 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 BrC1=CC=CC(Br)=N1 CS21793 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,1,0,0|1,0,0]=2 35 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,0,1,0,0|1,0,0]=2 47 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,0,0,1,0,0|1,1,0]=3 48 B8R1.4 CC1=CC=C[N+]([O-])=C1 MC41624 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 CC1=CN=CC(Br)=N1 MC429040 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.4 CC1=CN=CC(Cl)=N1 CS21486 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 CC1=CN=CC(N)=N1 CS21294 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.4 CC1=CN=CC(O)=N1 CS21596 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.4 CC1=NC(Br)=NC=C1 CS17649 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.4 CC1=NC(Cl)=NC=C1 CS13591 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [0,0,0,1,0,0|2,0,0]=3 62 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,0,0,1,0,0|2,0,0]=3 63 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.4 CC1=NC=CC(Cl)=N1 CS22751 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [0,0,0,1,0,0|3,0,0]=4 67 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [0,0,0,1,0,0|3,0,0]=4 70 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.4 ClC1=CC(I)=CC=C1 CS20663 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.4 ClC1=CC=CC(Br)=C1 CS22170 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.4 ClC1=CC=CC(Br)=N1 CS14668 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.4 ClC1=CC=CC(Cl)=N1 CS18899 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.4 ClC1=NC(I)=CC=C1 MC41607 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.4 FC1=CC(I)=CC=C1 CS18882 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.4 FC1=CC=CC(Br)=C1 MC41467 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.4 FC1=CC=CC(Br)=N1 CS13708 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.4 FC1=CC=CC(Cl)=C1 MC41473 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.4 FC1=CC=CC(Cl)=N1 CS18859 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.4 FC1=CC=CC(F)=N1 CS18752 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.4 FC1=CC=CC(S)=C1 MC20298 [0,0,0,1,0,0|2,1,0]=4 84 B8R1.4 FC1=NC(Br)=CC=C1 MC429392 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.4 IC1=CC=CC(I)=C1 MC433521 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.4 IC1=CC=CC(I)=N1 CS18354 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.4 NC1=CC(Br)=CC=C1 CS19169 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 NC1=CC(Cl)=CC=C1 CS22234 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.4 NC1=CC(F)=CC=C1 CS19913 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.4 NC1=CC(I)=CC=C1 CS19215 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 NC1=CC(O)=NC=C1 CS18280 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.4 NC1=CC(O)=NC=C1 MC41598 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 NC1=CC=CC(=O)N1 CS22760 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.4 NC1=CC=CC(N)=C1 MC40944 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.4 NC1=CC=CC(N)=N1 CS13686 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.4 NC1=CC=CC(O)=C1 MC41145 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.4 NC1=CC=NC(=O)N1 MC114510 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.4 NC1=CN=CC(O)=C1 CS12372 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.4 NC1=CN=CC(O)=C1 CS22080 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.4 NC1=NC(=O)NC=C1 CS22211 [0,0,0,1,0,0|3,0,0]=4 101 B8R1.4 NC1=NC(Br)=CC=C1 CS17641 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.4 NC1=NC(Cl)=CC=C1 CS17675 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.4 NC1=NC(F)=CC=C1 CS17727 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.4 NC1=NC=CC(=O)N1 MC426017 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.4 NC1=NC=CC(O)=C1 CS14161 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.4 O=C1C=C(I)C=CN1 CS22900 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.4 O=C1C=C(O)C=CN1 CS19356 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.4 O=C1C=CC=C(Cl)N1 CS10672 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.4 O=C1C=CNC(=O)N1 CS19249 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.4 OC1=CC(Br)=CC=C1 CS15169 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.4 OC1=CC(Br)=CN=C1 CS17456 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.4 OC1=CC(Br)=NC=C1 CS14221 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.4 OC1=CC(Cl)=CC=C1 CS19764 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.4 OC1=CC(Cl)=NC=C1 CS22712 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.4 OC1=CC(F)=CC=C1 CS19021 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.4 OC1=CC(F)=CN=C1 CS13932 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.4 OC1=CC(I)=CC=C1 CS19969 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.4 OC1=CC=CC(S)=C1 MC20381 [0,0,0,1,0,0|2,0,0]=3 119 B8R1.4 OC1=CN=CC(Cl)=C1 MC41606 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.4 OC1=CN=CC(O)=C1 CS21992 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.4 OC1=NC(Br)=CC=C1 CS14076 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.4 OC1=NC(Cl)=CN=C1 CS12934 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.4 OC1=NC(Cl)=NC=C1 MC442755 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.4 OC1=NC=CC(Br)=C1 CS14220 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.4 OC1=NC=CC(Cl)=C1 CS18294 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.4 OC1=NC=CC(F)=C1 CS21583 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.7 NC(=O)C1=COC=N1 CS11829 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,0,0,1,0,0|1,0,2]=4 141 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,1,0,0|1,0,0]=2 143 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,1,0,0|1,0,0]=2 145 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,1,0,0|2,0,0]=3 146 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,1,0,0|1,0,1]=3 148 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,1,0,0|1,0,1]=3 152 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.7 O=C(O)C1=CON=C1 MC428244 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,1,0,0|1,0,1]=3 155 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.7 O=C(O)C1=NON=C1 CS20479 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.7 O=C(O)C1C=CCN1 MC436934 [0,0,0,1,0,0|1,0,2]=4 165 B8R1.7 O=C(O)C1C=CCN1 MC436935 [0,0,0,1,0,0|1,0,2]=4 166 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.7 OB(O)C1=CC=CN1 MC113759 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.7 OB(O)C1=CC=CO1 CS22587 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.7 OB(O)C1=CC=CS1 CS22584 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,0,0,1,0,0|2,0,1]=4 171 B5R0.1 CC#CC(=O)O MC20776 [2,0,0,0,0,0|0,0,2]=4 172 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.1 C\C=C\B(O)O MC116392 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|0,0,0]=2 176 B7R0.2 COC(=O)CC(=O)O CS13436 [1,1,0,0,0,0|1,0,1]=4 177 B7R0.3 COC(=O)\C=C\CBr CS13509 [1,1,0,0,0,0|1,0,1]=4 178 B7R0.3 CO\C=C\C(=O)OC CS11630 [1,1,0,0,0,0|1,0,0]=3 179 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,1,0,0,0,0|0,0,2]=4 180 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,1,0,0,0,0|0,0,2]=4 181 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,1,0,0,0,0|0,0,2]=4 182 B7R0.6 CC(=O)NCC(=O)O CS19131 [1,1,0,0,0,0|1,0,1]=4 183 B9R0.53 CC(C)=CC(=O)C=C(C)C MC10339 [0,2,0,0,0,0|2,0,0]=4 184 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,2,0,0,0,0|1,0,1]=4 185 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,2,0,0,0,0|1,0,1]=4 186 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,2,0,0,0,0|0,0,0]=2 187 B9R0.47 NC\C=C\CC(N)C(=O)O MC436933 [0,2,0,0,0,0|0,0,2]=4 188 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [0,2,0,0,0,0|1,0,1]=4 189 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,0,0,1,0,0|1,1,0]=4 190 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.3 BrC1=CC=CC=C1 MC41456 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.3 BrC1=NC=CC=C1 CS17815 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.3 CC1=NC=CC=C1 MC41623 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.3 ClC1=CC=CC=C1 MC41469 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.3 ClC1=NC=CC=C1 MC20672 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.3 FC1=CC=CC=C1 MC41489 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.3 FC1=NC=CC=C1 MC20005 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.3 IC1=CC=CC=C1 CS19958 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.3 IC1=NC=CC=C1 CS14565 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.3 NC1=CC=CC=C1 MC40851 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.3 NC1=NC=CC=C1 MC41600 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.3 O=C1C=CC=CN1 CS18724 [1,0,0,1,0,0|1,0,0]=3 206 B7R1.3 O=C1C=CC=NN1 CS19793 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,1,0,0|1,0,1]=4 208 B7R1.3 O=C1C=CCCN1 CS15771 [1,0,0,1,0,0|1,0,1]=4 209 B7R1.3 O=C1C=CN=CN1 CS19105 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.3 OC1=CC=CC=C1 MC41210 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.3 OC1=CC=CN=C1 CS17813 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.3 OC1=CC=NC=C1 CS19216 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 OC1=NC=CC=C1 CS21602 [1,0,0,1,0,0|1,0,0]=3 214 B7R1.3 OC1=NC=CC=N1 CS14246 [1,0,0,1,0,0|2,0,0]=4 215 B7R1.3 OC1=NC=CC=N1 CS16090 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 OC1=NC=CC=N1 MC41651 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.3 OC1=NC=CN=C1 CS21601 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.3 OC1=NC=NC=C1 CS15728 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.3 PC1=CC=CC=C1 MC444841 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.3 [S-]C1=CC=CC=C1 MC41417 [1,0,0,1,0,0|1,1,0]=4 221 B7R1.1 CSC1=NC=CO1 CS17723 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.1 ClCC1=CC=CO1 CS13429 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.1 NCC1=CC=CO1 MC41689 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.1 O=CC1=CC=CN1 CS17764 [1,0,0,1,0,0|1,0,0]=3 225 B7R1.1 O=CC1=CC=CN1 MC434011 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.1 O=CC1=CC=CO1 MC41686 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.1 O=CC1=CC=CS1 CS16400 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|0,0,2]=4 229 B7R1.1 O=CC1=CN=CO1 MC100355 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.1 O=CC1=CN=CS1 CS15582 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.1 O=CC1=CNC=C1 CS20728 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.1 O=CC1=CNC=N1 CS14113 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.1 O=CC1=CSC=C1 CS14553 [1,0,0,1,0,0|1,0,1]=4 234 B7R1.1 O=CC1=CSC=N1 MC33021 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.1 O=CC1=NC=CN1 CS15723 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.1 O=CC1=NNC=C1 CS18284 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.1 OCC1=CC=CO1 MC41687 [1,0,0,1,0,0|1,0,1]=4 238 B7R1.4 CC1=C(Br)SC=C1 CS13700 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.4 CC1=CSC=C1Br MC441134 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.4 CC1=CSC=C1N MC427269 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.4 CN1N=CC=C1O CS10399 [1,0,0,1,0,0|2,0,0]=4 242 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,1,0,1,0,0|1,0,1]=4 245 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,1,0,1,0,0|0,0,2]=4 246 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.34 CC1=CC(=O)C=C(O)O1 CS16601 [0,1,0,1,0,0|0,0,1]=3 248 B9R1.34 CC1=CC(=O)NC(=O)N1 CS15364 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.34 CC1=CC(Br)=CC(Br)=C1 MC41514 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.34 CC1=CC(Br)=CC(Br)=N1 MC441309 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.34 CC1=CC(Br)=CC(C)=N1 CS17464 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.34 CC1=CC(Br)=CC(Cl)=C1 CS15189 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.34 CC1=CC(Br)=CC(F)=C1 CS10391 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.34 CC1=CC(Br)=CC(F)=N1 MC431200 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.34 CC1=CC(Br)=CC(O)=N1 CS15180 [0,1,0,1,0,0|1,0,0]=3 256 B9R1.34 CC1=CC(Br)=NC(C)=C1 CS14545 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.34 CC1=CC(C)=CC(Br)=C1 CS19140 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.34 CC1=CC(C)=CC(C)=C1 MC41548 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.34 CC1=CC(C)=CC(I)=C1 CS19879 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.34 CC1=CC(C)=CC(N)=C1 CS19815 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.34 CC1=CC(C)=CC(O)=C1 MC41192 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.34 CC1=CC(C)=CC(S)=C1 MC41408 [0,1,0,1,0,0|1,1,0]=4 263 B9R1.34 CC1=CC(C)=NC(C)=C1 MC41641 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.34 CC1=CC(C)=NC(O)=N1 CS19523 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.34 CC1=CC(Cl)=CC(C)=N1 CS17490 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.34 CC1=CC(Cl)=CC(Cl)=C1 CS21779 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.34 CC1=CC(Cl)=CC(Cl)=N1 CS21090 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.34 CC1=CC(Cl)=CC(F)=N1 MC429626 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.34 CC1=CC(Cl)=CC(N)=N1 CS21244 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.34 CC1=CC(Cl)=NC(C)=C1 CS18953 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.34 CC1=CC(F)=CC(F)=C1 MC433025 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.34 CC1=CC(F)=CC(F)=N1 MC432636 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.34 CC1=CC(F)=CC(O)=N1 MC431644 [0,1,0,1,0,0|1,0,0]=3 274 B9R1.34 CC1=CC(I)=CC(C)=N1 CS15577 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.34 CC1=CC(I)=CC(N)=N1 MC430536 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.34 CC1=CC(N)=CC(Br)=C1 CS12564 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.34 CC1=CC(N)=CC(Br)=N1 MC441310 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.34 CC1=CC(N)=CC(C)=N1 CS17195 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.34 CC1=CC(N)=CC(Cl)=N1 MC427512 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.34 CC1=CC(N)=CC(F)=C1 CS20369 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.34 CC1=CC(N)=NC(C)=C1 CS19570 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.34 CC1=CC(O)=CC(=O)N1 CS15737 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.34 CC1=CC(O)=CC(=O)O1 CS15586 [0,1,0,1,0,0|0,0,0]=2 284 B9R1.34 CC1=CC(O)=CC(Br)=C1 CS17351 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.34 CC1=CC(O)=CC(C)=N1 CS21802 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.34 CC1=CC(O)=CC(Cl)=C1 CS22228 [0,1,0,1,0,0|1,0,0]=3 287 B9R1.34 CC1=CC(O)=CC(Cl)=N1 MC441247 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.34 CC1=CC(O)=CC(F)=C1 MC41197 [0,1,0,1,0,0|1,0,0]=3 289 B9R1.34 CC1=CC(O)=CC(N)=C1 CS22082 [0,1,0,1,0,0|1,0,0]=3 290 B9R1.34 CC1=CC(O)=CC(O)=C1 CS19696 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.34 CC1=CC(O)=CC(O)=N1 CS21109 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.34 CC1=CC(O)=NC(C)=C1 CS18772 [0,1,0,1,0,0|1,0,0]=3 293 B9R1.34 CC1=NC(C)=NC(O)=C1 MC428287 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.34 CC1=NC(Cl)=CC(O)=N1 MC431944 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.34 CC1=NC(O)=CC(O)=N1 CS17927 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.34 Cc1cc(C)cc(C)c1 MC444978 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.34 Cc1cc(C)cc(F)c1 CS10870 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.34 NC1=CC(=O)NC(F)=C1 MC430867 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.34 NC1=CC(Br)=CC(O)=C1 MC442367 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.34 O=C1C=C(Cl)C=C(Cl)N1 MC107469 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.34 OC1=CC(Br)=CC(Br)=C1 CS15360 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.34 OC1=CC(Br)=CC(Cl)=C1 CS22155 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.34 OC1=CC(Br)=CC(Cl)=N1 MC430348 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.34 OC1=CC(Br)=CC(F)=C1 CS19926 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.34 OC1=CC(Br)=CC(I)=C1 MC41159 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.34 OC1=CC(Cl)=CC(Cl)=C1 CS19171 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.34 OC1=CC(Cl)=CC(F)=C1 MC41169 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.34 OC1=CC(F)=CC(F)=C1 CS22928 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.34 OC1=CC(O)=CC(Br)=C1 MC425796 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.34 OC1=CC(O)=CC(O)=C1 CS19697 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.34 OC1=CC(O)=CC(O)=C1 MC34268 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,1,0,1,0,0|1,0,0]=3 316 B9R1.41 CC1=C(B(O)O)C=CS1 MC428308 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.41 CC1=C(B(O)O)SC=C1 MC441627 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,1,0,1,0,0|0,0,0]=2 319 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,1,0,1,0,0|0,0,0]=2 320 B9R1.41 CC1=C(C(=O)O)C=NO1 CS17770 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,1,0,1,0,0|1,0,0]=3 323 B9R1.41 CC1=C(C(=O)O)N=NN1 MC430003 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,1,0,1,0,0|0,0,0]=2 325 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,1,0,1,0,0|1,0,0]=3 326 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,1,0,1,0,0|0,0,0]=2 327 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,1,0,1,0,0|1,0,0]=3 328 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [0,1,0,1,0,0|1,0,0]=3 329 B9R1.41 CC1=CSC=C1B(O)O CS22958 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,1,0,1,0,0|0,0,0]=2 331 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [0,1,0,1,0,0|1,0,0]=3 332 B9R1.41 CC1=NOC=C1C(=O)O CS18046 [0,1,0,1,0,0|1,0,0]=3 333 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [0,1,0,1,0,0|1,0,0]=3 334 B9R1.41 CN1C=NC=C1C(=O)O CS20748 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [0,1,0,1,0,0|1,0,0]=3 336 B9R1.41 CN1N=NC=C1C(=O)O MC115903 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [0,1,0,1,0,0|2,0,0]=4 340 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.41 O=C(O)C1=C(Br)C=NN1 CS13587 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [0,1,0,1,0,0|1,0,0]=3 343 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,1,0,1,0,0|1,0,0]=3 344 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [0,1,0,1,0,0|1,0,0]=3 345 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,1,0,1,0,0|1,0,0]=3 346 B9R1.41 O=C(O)C1=C(I)C=NN1 CS13410 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,1,0,1,0,0|1,0,0]=3 348 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [0,1,0,1,0,0|1,0,0]=3 349 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [0,1,0,1,0,0|2,0,0]=4 350 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.41 O=C(O)c1ccsc1F MC430854 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.1 COC1=CC=C(O)C=N1 CS19503 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.2 BrCC1=CC(I)=CC=C1 MC40562 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.2 BrCC1=CC=CC(Br)=C1 CS19344 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.2 BrCC1=CC=CC(Br)=N1 MC425531 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.2 C#CC1=CC=CC(O)=C1 CS22325 [0,1,0,1,0,0|1,0,1]=4 363 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.2 C=NC1=CC(C)=CC=C1 MC111025 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.2 CC1=CC(CN)=CC=C1 CS19644 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.2 CC1=CC(NN)=CC=C1 CS19574 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.2 CC1=CC=CC(C#N)=C1 CS19778 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,1,0,1,0,0|1,0,0]=3 373 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.2 CC1=CC=CC(CCl)=C1 MC40602 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.2 CC1=CC=CC(CF)=C1 MC433869 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.2 CC1=CN=CC(CO)=N1 CS15787 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.2 CC1=NC(CO)=NC=C1 MC444189 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.2 CCC1=CC=CC(Br)=C1 MC30292 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.2 CCC1=CC=CC(N)=C1 MC433319 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.2 CNC1=CC(Br)=CC=C1 CS22185 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.2 CNC1=CC(Br)=CC=C1 MC40876 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.2 CNC1=CC(Cl)=CC=C1 MC20486 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.2 CNC1=CC(N)=CC=C1 CS16640 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.2 CNC1=CC=CC(O)=C1 MC442233 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.2 COC1=CC(=O)NC=C1 CS12334 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.2 COC1=CC=CC(Cl)=C1 CS19894 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.2 COC1=CC=CC(F)=C1 CS19929 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [0,1,0,1,0,0|2,0,0]=4 400 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.2 COC1=CC=CC(N)=C1 CS19943 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.2 COC1=CC=CC(O)=C1 CS18747 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.2 COC1=CN=CC(O)=C1 CS17819 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,1,0,1,0,0|2,0,0]=4 408 B9R1.2 COC1=NC=CC(C)=C1 CS21637 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.2 COC1=NC=CC(O)=C1 MC115931 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.2 CSC1=CC(N)=CC=C1 MC20570 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [0,1,0,1,0,0|2,0,0]=4 412 B9R1.2 CSC1=NC=CC(=O)N1 CS22771 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.2 CSC1=NC=CC(O)=N1 CS12612 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.2 ClC1=CC=CC(CBr)=C1 CS22235 [0,1,0,1,0,0|2,0,0]=4 415 B9R1.2 ClCC1=CC(Br)=CC=C1 MC40579 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.2 ClCC1=CC(Cl)=CC=C1 MC40582 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.2 ClCC1=CC=CC(Br)=N1 MC425483 [0,1,0,1,0,0|2,0,0]=4 418 B9R1.2 FC1=CC=CC(CBr)=C1 MC40552 [0,1,0,1,0,0|2,0,0]=4 419 B9R1.2 FC1=CC=CC(CCl)=C1 CS19068 [0,1,0,1,0,0|2,0,0]=4 420 B9R1.2 FCC1=CC=CC(F)=C1 MC433530 [0,1,0,1,0,0|2,0,0]=4 421 B9R1.2 N#CC1=CC(O)=CC=C1 CS19377 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.2 NC1=CC=CC(CO)=C1 CS18821 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.2 NC1=CC=CC(CO)=N1 CS16612 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.2 NCC1=CC(Br)=CC=C1 CS19652 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.2 NCC1=CC(Br)=CC=C1 MC40798 [0,1,0,1,0,0|2,0,0]=4 427 B9R1.2 NCC1=CC(Cl)=CC=C1 MC33134 [0,1,0,1,0,0|2,0,0]=4 428 B9R1.2 NCC1=CC(F)=CC=C1 MC33025 [0,1,0,1,0,0|2,0,0]=4 429 B9R1.2 NCC1=CC(I)=CC=C1 CS22330 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.2 NCC1=NC(Br)=CC=C1 CS10635 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.2 NCC1=NC(Br)=CC=C1 MC425058 [0,1,0,1,0,0|2,0,0]=4 432 B9R1.2 NCC1=NC(F)=CC=C1 CS13193 [0,1,0,1,0,0|2,0,0]=4 433 B9R1.2 NCC1=NC(O)=NC=C1 MC104065 [0,1,0,1,0,0|2,0,0]=4 434 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [0,1,0,1,0,0|2,0,0]=4 436 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [0,1,0,1,0,0|2,0,0]=4 438 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [0,1,0,1,0,0|1,0,1]=4 439 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.2 OC1=CC(CBr)=CC=C1 MC425573 [0,1,0,1,0,0|1,0,0]=3 444 B9R1.2 OCC1=CC(F)=CC=C1 CS19069 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.2 OCC1=CC(O)=CC=C1 MC40720 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.2 OCC1=NC(Br)=CC=C1 CS23004 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.2 OCC1=NC(Cl)=CC=C1 CS10667 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.2 OCC1=NC(Cl)=CC=C1 CS19907 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.2 OCC1=NC(F)=CC=C1 MC430488 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.2 OCC1=NC=CC(O)=C1 CS17612 [0,1,0,1,0,0|2,0,0]=4 451 B9R1.3 CC1=C(Br)C(Cl)=CC=C1 MC41498 [0,1,0,1,0,0|2,0,0]=4 452 B9R1.3 CC1=C(Br)C(F)=CC=C1 MC30071 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.3 CC1=C(Br)C(O)=NC=C1 CS21575 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.3 CC1=C(C)C(=O)NC=C1 MC431551 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.3 CC1=C(C)C(Br)=CC=C1 CS19738 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.3 CC1=C(C)C(O)=NC=C1 MC431552 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.3 CC1=C(F)C(Br)=CC=C1 MC30221 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.3 CC1=C(I)C(Cl)=CC=C1 CS20195 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.3 CC1=C(I)C(F)=CC=C1 CS20026 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.3 CC1=C(N)C(N)=CC=C1 MC33098 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.3 CC1=C(O)C(=O)C=CO1 MC21095 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.3 CC1=C(O)C(Cl)=NC=C1 CS16152 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.3 CC1=C(O)C(O)=CC=C1 MC30145 [0,1,0,1,0,0|0,0,1]=3 464 B9R1.3 CC1=C(O)C=CC=C1Br CS14415 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.3 CC1=C(O)C=CC=C1Cl CS22210 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.3 CC1=C(O)C=CC=C1F MC433104 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.3 CC1=C(O)C=CC=C1O MC20744 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.3 CC1=CC=CC(Br)=C1N CS10505 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.3 CC1=CC=CC(Br)=C1O MC41161 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.3 CC1=CC=CC(Br)=C1S MC111932 [0,1,0,1,0,0|1,1,0]=4 471 B9R1.3 CC1=CC=CC(C)=C1Br CS19952 [0,1,0,1,0,0|2,0,0]=4 472 B9R1.3 CC1=CC=CC(C)=C1Cl MC41533 [0,1,0,1,0,0|2,0,0]=4 473 B9R1.3 CC1=CC=CC(C)=C1I MC41542 [0,1,0,1,0,0|2,0,0]=4 474 B9R1.3 CC1=CC=CC(C)=C1N CS19754 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.3 CC1=CC=CC(C)=C1O CS21185 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.3 CC1=CC=CC(C)=[N+]1[O-] MC41613 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.3 CC1=CC=CC(Cl)=C1C MC41535 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.3 CC1=CC=CC(Cl)=C1F CS22205 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.3 CC1=CC=CC(Cl)=C1N CS13397 [0,1,0,1,0,0|2,0,0]=4 480 B9R1.3 CC1=CC=CC(F)=C1C MC30143 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.3 CC1=CC=CC(F)=C1F CS19914 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.3 CC1=CC=CC(F)=C1N CS10511 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.3 CC1=CC=CC(F)=C1O MC433389 [0,1,0,1,0,0|1,0,0]=3 484 B9R1.3 CC1=CC=CC(N)=C1Br CS12669 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.3 CC1=CC=CC(N)=C1C MC40904 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.3 CC1=CC=CC(N)=C1F MC433020 [0,1,0,1,0,0|2,0,0]=4 487 B9R1.3 CC1=CC=CC(N)=C1O CS13842 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.3 CC1=CC=CC(O)=C1C MC41190 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.3 CC1=CC=CC(O)=C1Cl MC443764 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.3 CC1=CC=CC(O)=C1F MC20207 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.3 CC1=CC=CC(O)=C1I MC442299 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.3 CC1=CC=CC(O)=C1N CS14085 [0,1,0,1,0,0|1,0,0]=3 493 B9R1.3 CC1=CC=CC(S)=C1C MC20384 [0,1,0,1,0,0|1,1,0]=4 494 B9R1.3 CC1=NC=CC(C)=C1O MC430625 [0,1,0,1,0,0|2,0,0]=4 495 B9R1.3 CN1C(=O)C=CC=C1Br MC425583 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.3 CN1C(=O)C=CC=C1Cl CS17012 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.3 CN1C=CC=C(Br)C1=O MC104038 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.3 CN1C=CC=C(N)C1=O MC425210 [0,1,0,1,0,0|2,0,0]=4 499 B9R1.3 NC1=C(O)C(Br)=CC=C1 CS14079 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.3 NC1=C(O)C(Cl)=CC=C1 CS13388 [0,1,0,1,0,0|2,0,0]=4 501 B9R1.3 NC1=C(O)C(F)=CC=C1 CS10703 [0,1,0,1,0,0|2,0,0]=4 502 B9R1.3 NC1=C(O)C=CC=C1Br CS12191 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.3 NC1=C(O)C=CC=C1Cl MC442092 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.3 NC1=C(O)C=CC=C1F CS13672 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.3 NC1=C(O)C=CC=C1O CS21312 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.3 NC1=CC=CC(O)=C1Br CS15538 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.3 OC1=C(Br)C(Br)=CC=C1 MC433375 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.3 OC1=C(Br)C(Cl)=CC=C1 CS21337 [0,1,0,1,0,0|2,0,0]=4 509 B9R1.3 OC1=C(Br)C(F)=CC=C1 MC433102 [0,1,0,1,0,0|2,0,0]=4 510 B9R1.3 OC1=C(Br)C(I)=CC=C1 MC115196 [0,1,0,1,0,0|2,0,0]=4 511 B9R1.3 OC1=C(Br)C=CC=C1Br CS15261 [0,1,0,1,0,0|2,0,0]=4 512 B9R1.3 OC1=C(Br)C=CC=C1Cl CS15849 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.3 OC1=C(Br)C=CC=C1F CS22904 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.3 OC1=C(Br)C=CC=C1I MC441065 [0,1,0,1,0,0|2,0,0]=4 515 B9R1.3 OC1=C(Cl)C(Br)=CC=C1 CS19373 [0,1,0,1,0,0|2,0,0]=4 516 B9R1.3 OC1=C(Cl)C(Cl)=CC=C1 CS21020 [0,1,0,1,0,0|2,0,0]=4 517 B9R1.3 OC1=C(Cl)C(F)=CC=C1 CS21431 [0,1,0,1,0,0|2,0,0]=4 518 B9R1.3 OC1=C(Cl)C=CC=C1Cl CS21171 [0,1,0,1,0,0|2,0,0]=4 519 B9R1.3 OC1=C(Cl)C=CC=C1F CS18835 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.3 OC1=C(Cl)C=CC=C1I MC441025 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.3 OC1=C(F)C(Br)=CC=C1 MC433356 [0,1,0,1,0,0|2,0,0]=4 522 B9R1.3 OC1=C(F)C(Cl)=CC=C1 CS22204 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.3 OC1=C(F)C(F)=CC=C1 CS18870 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.3 OC1=C(F)C(I)=CC=C1 MC442102 [0,1,0,1,0,0|2,0,0]=4 525 B9R1.3 OC1=C(F)C=CC=C1F CS18872 [0,1,0,1,0,0|2,0,0]=4 526 B9R1.3 OC1=C(I)C(Br)=CC=C1 MC433359 [0,1,0,1,0,0|2,0,0]=4 527 B9R1.3 OC1=C(I)C(Cl)=CC=C1 MC433367 [0,1,0,1,0,0|2,0,0]=4 528 B9R1.3 OC1=C(I)C(F)=CC=C1 MC442381 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.3 OC1=CC=CC(Br)=C1O MC442826 [0,1,0,1,0,0|1,0,1]=4 530 B9R1.3 OC1=CC=CC(Cl)=C1O MC441225 [0,1,0,1,0,0|1,0,1]=4 531 B9R1.3 OC1=CC=CC(F)=C1O MC20210 [0,1,0,1,0,0|1,0,1]=4 532 B9R1.3 OC1=CC=CC(I)=C1O MC114532 [0,1,0,1,0,0|1,0,1]=4 533 B9R1.3 OC1=CC=CC(O)=C1Br MC443180 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.3 OC1=CC=CC(O)=C1Cl CS19075 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.3 OC1=CC=CC(O)=C1F MC433390 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.3 OC1=CC=CC(O)=C1I MC443433 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.3 OC1=CC=CC(O)=C1O MC427034 [0,1,0,1,0,0|1,0,1]=4 538 B9R1.5 O=C1C=CC=CC=C1O MC20359 [0,1,0,1,0,0|0,0,1]=3 539 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,1,0,1,0,0|1,0,0]=3 541 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,1,0,1,0,0|0,0,2]=4 543 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.21 O=CC1=CC=C(C=O)O1 MC20959 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.21 O=CC1=CC=C(C=O)S1 MC445785 [0,1,0,1,0,0|1,1,0]=4 549 B9R1.21 O=CC1=CC=C(CO)N1 CS16660 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.21 O=CC1=CC=C(CO)O1 CS15585 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.79 COC(=O)C=C1COC1 MC444517 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [0,1,0,1,0,0|2,0,0]=4 558 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [0,1,0,1,0,0|1,0,1]=4 561 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [0,1,0,1,0,0|1,0,1]=4 562 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [0,1,0,1,0,0|1,0,1]=4 563 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [0,1,0,1,0,0|1,0,1]=4 566 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [0,1,0,1,0,0|1,0,1]=4 567 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [0,1,0,1,0,0|0,0,1]=3 568 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [0,1,0,1,0,0|0,0,1]=3 569 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.6 O=C(O)C1=CCOCC1 MC105969 [0,1,0,1,0,0|0,0,2]=4 571 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [0,1,0,1,0,0|1,0,1]=4 572 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [0,1,0,1,0,0|1,0,1]=4 573 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,1,0,1,0,0|0,0,1]=3 574 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [0,1,0,1,0,0|1,0,0]=3 575 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,1,0,1,0,0|1,0,0]=3 576 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.6 O=C(O)C1CC=CCC1 MC20590 [0,1,0,1,0,0|0,0,2]=4 578 B9R1.6 O=C(O)C1CC=CCC1 MC20996 [0,1,0,1,0,0|0,0,2]=4 579 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,1,0,0|1,0,0]=3 582 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,1,0,0|1,0,0]=3 583 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,1,0,0|1,1,0]=4 584 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,1,0,0|0,0,0]=2 589 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,1,0,0|0,0,0]=2 590 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,1,0,0|1,0,0]=3 591 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,1,0,0|1,0,0]=3 592 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,1,0,0|1,0,0]=3 593 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,1,0,0|1,0,0]=3 594 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,1,0,1,0,0|1,0,0]=3 595 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,1,0,1,0,0|1,0,0]=3 613 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,1,0,0|1,0,0]=3 619 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,1,0,0|1,0,0]=3 620 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,1,0,1,0,0|1,0,1]=4 625 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,1,0,1,0,0|1,0,1]=4 627 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,1,0,1,0,0|1,0,1]=4 629 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,1,0,1,0,0|2,0,0]=4 632 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.69 CC1=C(Br)C=C(O)C=C1 CS12184 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.69 CC1=C(Br)C=CC(Br)=C1 CS21137 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.69 CC1=C(Br)C=CC(Cl)=C1 CS20166 [0,1,0,1,0,0|2,0,0]=4 637 B9R1.69 CC1=C(Br)C=CC(F)=C1 CS10390 [0,1,0,1,0,0|2,0,0]=4 638 B9R1.69 CC1=C(Br)C=CC(I)=C1 MC33074 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.69 CC1=C(Br)C=CC(N)=C1 CS15448 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.69 CC1=C(Br)C=CC(N)=N1 CS23028 [0,1,0,1,0,0|2,0,0]=4 641 B9R1.69 CC1=C(Br)C=CC(O)=C1 CS20279 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.69 CC1=C(Br)C=CC(O)=N1 CS18359 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.69 CC1=C(Br)C=NC(=O)N1 CS15560 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.69 CC1=C(Br)N=CC(O)=C1 MC443767 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.69 CC1=C(C)C=C(Cl)C=C1 MC433525 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.69 CC1=C(C)C=C(N)C=C1 CS20010 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.69 CC1=C(C)C=C(O)C=C1 MC41191 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.69 CC1=C(C)N=C(O)C=N1 MC443140 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.69 CC1=C(C)NC(=O)C=C1 MC111283 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.69 CC1=C(Cl)C=C(O)C=C1 MC33172 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.69 CC1=C(Cl)C=CC(Br)=C1 CS19135 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.69 CC1=C(Cl)C=CC(Cl)=C1 MC41516 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.69 CC1=C(Cl)C=CC(I)=C1 CS20194 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.69 CC1=C(Cl)C=CC(N)=C1 MC40892 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.69 CC1=C(Cl)C=CC(O)=C1 MC41173 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.69 CC1=C(Cl)C=CC(O)=N1 MC431924 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.69 CC1=C(Cl)N=CC(O)=C1 CS15214 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.69 CC1=C(F)C=C(O)C=C1 CS10481 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.69 CC1=C(F)C=CC(Br)=C1 MC33150 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.69 CC1=C(F)C=CC(Cl)=C1 CS14434 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.69 CC1=C(F)C=CC(F)=C1 CS19928 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.69 CC1=C(F)C=CC(I)=C1 CS10424 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.69 CC1=C(F)C=CC(N)=C1 CS10514 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.69 CC1=C(F)C=CC(N)=N1 MC433033 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.69 CC1=C(F)C=CC(O)=C1 CS10483 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.69 CC1=C(F)C=CC(S)=C1 MC41409 [0,1,0,1,0,0|1,1,0]=4 667 B9R1.69 CC1=C(I)C=CC(=O)N1 CS15056 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.69 CC1=C(I)C=CC(Br)=C1 CS10398 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.69 CC1=C(I)C=CC(F)=C1 MC433024 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.69 CC1=C(I)C=CC(F)=N1 MC433047 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.69 CC1=C(I)C=CC(N)=N1 MC33318 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.69 CC1=C(I)C=CC(O)=C1 CS22901 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.69 CC1=C(N)C=C(O)C=C1 MC30249 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.69 CC1=C(N)C=CC(=O)N1 MC425072 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.69 CC1=C(N)C=CC(Br)=C1 CS15106 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.69 CC1=C(N)C=CC(Cl)=C1 CS16371 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.69 CC1=C(N)C=CC(F)=C1 CS10513 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.69 CC1=C(N)C=CC(I)=C1 CS20371 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.69 CC1=C(N)C=CC(N)=C1 CS18566 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.69 CC1=C(N)C=CC(O)=C1 CS14087 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.69 CC1=C(O)C=C(Br)C=C1 CS10275 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.69 CC1=C(O)C=C(F)C=C1 CS10484 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.69 CC1=C(O)C=C(N)C=C1 CS10536 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.69 CC1=C(O)C=C(O)C=C1 CS20391 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.69 CC1=C(O)C=CC(Br)=C1 MC20395 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.69 CC1=C(O)C=CC(Cl)=C1 CS20290 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.69 CC1=C(O)C=CC(F)=C1 CS10482 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.69 CC1=C(O)C=CC(I)=C1 MC30013 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.69 CC1=C(O)C=CC(N)=C1 MC30012 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.69 CC1=CC(=O)C=CC1=O MC41219 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.69 CC1=CC(Br)=C(Br)C=C1 MC41513 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.69 CC1=CC(Br)=C(C)C=C1 CS21410 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.69 CC1=CC(Br)=C(Cl)C=C1 CS20167 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.69 CC1=CC(Br)=C(F)C=C1 MC20046 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.69 CC1=CC(Br)=C(N)C=C1 CS19777 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.69 CC1=CC(C)=C(Br)C=C1 MC41530 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.69 CC1=CC(C)=C(C)C=C1 MC41547 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.69 CC1=CC(C)=C(F)C=C1 MC33141 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.69 CC1=CC(C)=C(N)C=C1 CS20011 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.69 CC1=CC(C)=C(O)C=C1 MC30165 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.69 CC1=CC(C)=C(S)C=C1 MC443880 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.69 CC1=CC(Cl)=C(Br)C=C1 CS19979 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.69 CC1=CC(Cl)=C(C)C=C1 MC41534 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.69 CC1=CC(Cl)=C(Cl)C=C1 CS21935 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.69 CC1=CC(Cl)=C(F)C=C1 MC433023 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.69 CC1=CC(Cl)=C(I)C=C1 MC41508 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.69 CC1=CC(Cl)=C(N)C=C1 MC20110 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.69 CC1=CC(Cl)=C(O)C=C1 CS20292 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.69 CC1=CC(F)=C(Br)C=C1 CS10392 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.69 CC1=CC(F)=C(C)C=C1 CS13237 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.69 CC1=CC(F)=C(C)C=C1 MC433527 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.69 CC1=CC(F)=C(Cl)C=C1 CS22757 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.69 CC1=CC(F)=C(F)C=C1 CS19897 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.69 CC1=CC(F)=C(N)C=C1 MC40918 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.69 CC1=CC(I)=C(N)C=C1 CS10517 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.69 CC1=CC(I)=C(O)C=C1 MC41201 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.69 CC1=CC(N)=C(Br)C=C1 CS18349 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.69 CC1=CC(N)=C(C)C=C1 MC40905 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.69 CC1=CC(N)=C(Cl)C=C1 CS20365 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.69 CC1=CC(N)=C(F)C=C1 CS10510 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.69 CC1=CC(N)=C(I)C=C1 CS20372 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.69 CC1=CC(O)=C(Br)C=C1 CS16357 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.69 CC1=CC(O)=C(C)C=C1 CS19431 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.69 CC1=CC(O)=C(F)C=C1 MC41196 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.69 CC1=CC(O)=C(N)C=C1 CS14086 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.69 CC1=CC(O)=CN=C1F MC20357 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.69 CC1=CC(O)=NC=C1Br CS13793 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.69 CC1=CC=C(Br)C(Br)=N1 CS14048 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.69 CC1=CC=C(Br)C(C)=N1 CS20363 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.69 CC1=CC=C(Br)C(Cl)=N1 CS13860 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.69 CC1=CC=C(Br)C(F)=N1 MC20350 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.69 CC1=CC=C(Br)C(N)=N1 CS19460 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.69 CC1=CC=C(Br)C(O)=N1 MC443419 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.69 CC1=CC=C(Br)C=C1C MC41529 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.69 CC1=CC=C(C)C(Cl)=N1 CS16816 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.69 CC1=CC=C(C)C(N)=N1 CS16045 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.69 CC1=CC=C(Cl)C(Cl)=N1 CS21017 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.69 CC1=CC=C(Cl)N=C1C MC111284 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.69 CC1=CC=C(Cl)N=C1O MC430249 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.69 CC1=CC=C(F)C(Br)=N1 CS14229 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.69 CC1=CC=C(F)C(C)=N1 MC429927 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.69 CC1=CC=C(F)C(Cl)=N1 CS14228 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.69 CC1=CC=C(F)C(F)=N1 MC432593 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.69 CC1=CC=C(F)C(N)=N1 MC432249 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.69 CC1=CC=C(F)C=C1C MC41541 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.69 CC1=CC=C(I)C(N)=N1 CS13037 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.69 CC1=CC=C(N)C(Br)=N1 CS19459 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.69 CC1=CC=C(N)C(C)=N1 CS19572 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.69 CC1=CC=C(N)C(Cl)=N1 CS19471 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.69 CC1=CC=C(N)C(N)=C1 CS21925 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.69 CC1=CC=C(N)C(N)=N1 MC427322 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.69 CC1=CC=C(N)C(N)=N1 MC427509 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.69 CC1=CC=C(N)C(O)=N1 MC33453 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.69 CC1=CC=C(O)C(Br)=N1 CS21385 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.69 CC1=CC=C(O)C(C)=N1 MC41612 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.69 CC1=CC=C(O)C(Cl)=N1 CS21487 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.69 CC1=CC=C(O)C(F)=N1 MC430626 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.69 CC1=CC=C(O)C(I)=N1 CS21614 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.69 CC1=CC=C(O)C(N)=N1 MC431086 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.69 CC1=CC=C(O)C(O)=C1 CS14435 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.69 CC1=CN=C(Cl)C(O)=C1 MC20346 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.69 CC1=NC(=O)C(N)=CN1 CS17940 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.69 CC1=NC(Br)=CC=C1Br CS19042 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.69 CC1=NC(Br)=CC=C1F CS18998 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.69 CC1=NC(Br)=CC=C1I MC106491 [0,1,0,1,0,0|2,0,0]=4 766 B9R1.69 CC1=NC(Br)=CC=C1N CS13574 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.69 CC1=NC(Br)=CC=C1O CS15297 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.69 CC1=NC(Cl)=CC=C1F CS19395 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.69 CC1=NC(Cl)=CC=C1N CS13794 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.69 CC1=NC(F)=CC=C1Br CS19026 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.69 CC1=NC(I)=CC=C1O MC431760 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.69 CC1=NC(N)=CC=C1N MC427482 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.69 CC1=NC=C(Br)C(=O)N1 CS17891 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.69 CC1=NC=C(Br)C(O)=N1 CS10273 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.69 CC1=NC=C(F)C(=O)N1 CS14592 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.69 CC1=NC=C(N)C(=O)N1 CS14824 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.69 CN1C=CC(=O)C(O)=C1 CS17435 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.69 Cc1ccc(Cl)c(C)c1 MC433524 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.69 NC1=C(Br)C=C(O)C=C1 MC41139 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.69 NC1=C(Br)C=CC(O)=C1 CS14504 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.69 NC1=C(Cl)C=C(O)C=C1 CS18805 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.69 NC1=C(Cl)C=C(O)C=C1 MC10180 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.69 NC1=C(F)C=C(O)C=C1 CS23017 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.69 NC1=C(F)C=CC(O)=C1 CS19712 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.69 NC1=C(F)C=CC(O)=C1 MC433346 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.69 NC1=C(O)C=C(Br)C=C1 CS21272 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.69 NC1=C(O)C=C(Cl)C=C1 CS19300 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.69 NC1=C(O)C=C(F)C=C1 CS23016 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.69 NC1=C(O)C=C(O)C=C1 CS22592 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.69 NC1=CC(O)=C(Cl)C=C1 MC433340 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.69 NC1=CC(O)=C(F)C=C1 CS13999 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.69 NC1=CC=C(Br)NC1=O MC425557 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.69 O=C1NC(Cl)=CC=C1Br MC443282 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.69 OC1=C(Br)C=CC(Br)=C1 MC30180 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.69 OC1=C(Br)C=CC(Cl)=C1 CS21372 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.69 OC1=C(Br)C=CC(F)=C1 MC20075 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.69 OC1=C(Br)C=CC(I)=C1 CS13046 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.69 OC1=C(Cl)C=CC(Br)=C1 MC20037 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.69 OC1=C(Cl)C=CC(Cl)=C1 CS21143 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.69 OC1=C(Cl)C=CC(F)=C1 CS22918 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.69 OC1=C(F)C=CC(Br)=C1 CS22910 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.69 OC1=C(F)C=CC(Cl)=C1 CS22920 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.69 OC1=C(F)C=CC(F)=C1 MC41184 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.69 OC1=C(F)C=CC(I)=C1 CS12536 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.69 OC1=C(I)C=CC(Br)=C1 MC442822 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.69 OC1=C(I)C=CC(Cl)=C1 CS10328 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.69 OC1=C(I)C=CC(F)=C1 MC441216 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.69 OC1=C(I)C=CC(I)=C1 MC442225 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.69 OC1=CC(Br)=C(Br)C=C1 MC442091 [0,1,0,1,0,0|2,0,0]=4 810 B9R1.69 OC1=CC(Br)=C(Cl)C=C1 CS22149 [0,1,0,1,0,0|2,0,0]=4 811 B9R1.69 OC1=CC(Br)=C(F)C=C1 CS22905 [0,1,0,1,0,0|2,0,0]=4 812 B9R1.69 OC1=CC(Cl)=C(Br)C=C1 MC20176 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.69 OC1=CC(Cl)=C(Cl)C=C1 MC41181 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.69 OC1=CC(Cl)=C(F)C=C1 MC33094 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.69 OC1=CC(Cl)=C(I)C=C1 MC30273 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.69 OC1=CC(F)=C(Br)C=C1 CS22909 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.69 OC1=CC(F)=C(Cl)C=C1 CS22919 [0,1,0,1,0,0|2,0,0]=4 818 B9R1.69 OC1=CC(F)=C(F)C=C1 CS22926 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.69 OC1=CC(F)=C(I)C=C1 CS15852 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.69 OC1=CC(F)=C(O)C=C1 MC20784 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.69 OC1=CC(I)=C(Cl)C=C1 MC433368 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.69 OC1=CC(I)=C(F)C=C1 MC442383 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.69 OC1=CC(O)=C(Br)C=C1 CS22703 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.69 OC1=CC(O)=C(F)C=C1 CS22989 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.69 OC1=CC=C(Br)C=C1O CS22676 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.69 OC1=NC(Br)=CC=C1Br MC109098 [0,1,0,1,0,0|2,0,0]=4 827 B9R1.69 OC1=NC(Cl)=C(Cl)C=C1 MC431738 [0,1,0,1,0,0|2,0,0]=4 828 B9R1.69 OC1=NC(Cl)=C(O)C=C1 MC432030 [0,1,0,1,0,0|2,0,0]=4 829 B9R1.69 OC1=NC(Cl)=CC=C1F MC102784 [0,1,0,1,0,0|2,0,0]=4 830 B9R1.69 OC1=NC(F)=C(I)C=C1 MC429332 [0,1,0,1,0,0|2,0,0]=4