0 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [0,0,0,0,0,0|1,1,1]=3 5 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.18 CC1=NN(C)C=C1I MC431130 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.18 CC1CC(S)C(C)O1 MC115503 [0,0,0,0,0,0|0,1,3]=4 10 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 CN1N=C(Br)C=C1N CS14912 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.18 CN1N=C(Cl)C=C1N MC105283 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.18 O=C1C=C(Br)C(=O)O1 MC444615 [0,0,0,0,0,0|3,0,1]=4 15 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,0,0,0|1,0,0]=2 17 B7R1.2 CC1=CC(=O)CO1 MC429080 [1,0,0,0,0,0|0,0,0]=1 18 B7R1.2 CC1=CC(=O)NN1 CS22601 [1,0,0,0,0,0|2,0,0]=3 19 B7R1.2 CC1=CC(Br)=CS1 CS22736 [1,0,0,0,0,0|1,1,1]=4 20 B7R1.2 CC1=CC(Br)=NN1 CS12832 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.2 CC1=CC(Br)=NO1 MC113406 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.2 CC1=CC(C)=NN1 CS19982 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.2 CC1=CC(C)=NO1 CS14107 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.2 CC1=CC(I)=NN1 CS16887 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.2 CC1=CC=C(Br)S1 CS22735 [1,0,0,0,0,0|1,1,1]=4 26 B7R1.2 CC1=CC=C(C)N1 CS21153 [1,0,0,0,0,0|1,0,1]=3 27 B7R1.2 CC1=CN(C)C=N1 MC111221 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.2 CC1=CN(C)N=C1 CS20542 [1,0,0,0,0,0|3,0,0]=4 29 B7R1.2 CC1=CN=C(C)S1 CS22782 [1,0,0,0,0,0|1,1,1]=4 30 B7R1.2 CC1=CNC(C)=N1 CS21117 [1,0,0,0,0,0|2,0,1]=4 31 B7R1.2 CC1=CSC(C)=N1 CS22781 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.2 CC1=CSC(N)=C1 MC113026 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 CC1=CSC(N)=C1 MC121228 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.2 CC1=NN(C)C=C1 CS20520 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.2 CC1=NN=C(C)O1 CS15161 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.2 CC1=NNC(=O)C1 CS16242 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.2 CC1=NNC(=O)O1 CS10427 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 CC1=NNC(=O)S1 MC107311 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.2 CC1=NOC(N)=C1 CS16239 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 CC1=NSC(=O)O1 MC42245 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.2 CC1=NSC(Br)=C1 CS10288 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.2 CC1=NSC(I)=C1 MC100265 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.2 CC1=NSC(N)=C1 CS16387 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.2 CN1C=CC(=O)N1 CS17197 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.2 CN1C=CC(Br)=N1 CS20720 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.2 CN1C=CC(I)=N1 MC442844 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.2 CN1C=CC(N)=C1 CS17699 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.2 CN1C=CC(N)=N1 CS13878 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.2 NC1=CC(=O)NN1 CS13152 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.2 NC1=NCC(=O)N1 MC102809 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 O=C1C=C(Br)CN1 MC431199 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.2 O=C1C=C(Br)CN1 MC431360 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 O=C1CCC(=O)N1 MC41707 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 O=C1CNC(=O)C1 MC116520 [1,0,0,0,0,0|2,0,1]=4 58 B7R1.2 O=C1CNC(=S)N1 MC427395 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 O=C1CSC(=O)N1 CS22526 [1,0,0,0,0,0|2,1,0]=4 60 B7R1.2 O=C1NOC(=O)N1 MC115169 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.4 CC1=CC=NN1C CS19266 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,0,0,0|0,0,2]=3 63 B7R1.4 CN1N=CC=C1Br CS12124 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.4 CN1N=CC=C1N CS22609 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.4 CN1N=CC=C1O CS10399 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.4 CN1N=CCC1=O CS15601 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.22 CC1=CC(C#N)=C(C)N1 MC427285 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.22 CC1=CC(C)=C(C=O)N1 CS10535 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.22 CC1=NC(C)=C(C=O)N1 MC427470 [0,1,0,0,0,0|2,0,1]=4 70 B9R1.22 CC1=NN(C)C(C=O)=C1 MC21034 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.22 CC1=NN(C)C(CBr)=C1 MC106883 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.22 CC1=NN(C)C(CN)=C1 MC431417 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.22 CC1=NN(C)C=C1C=O CS13371 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.23 CC1=CC(CO)=NN1C MC429810 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.23 CN1N=C(CO)C=C1Br MC429813 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.37 CC1=C(C)C(I)=C(C)S1 MC425074 [0,1,0,0,0,0|1,1,1]=4 77 B9R1.37 CC1=NN(C)C(C)=C1Br CS22622 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.37 CC1=NN(C)C(C)=C1N CS15695 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.37 CN1C(=O)C=C(Br)C1=O MC111948 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,1,0,0,0,0|3,0,0]=4 81 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,0,1,0,0,0|0,0,2]=3 82 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,1,0,0,0|1,0,1]=3 83 B7R0.2 COC(=O)CC(=O)O CS13436 [0,0,1,0,0,0|2,0,1]=4 84 B7R0.2 COC(=O)CC(C)=O MC41927 [0,0,1,0,0,0|1,0,2]=4 85 B7R0.2 COC(=O)CC(C)O CS11584 [0,0,1,0,0,0|1,0,2]=4 86 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,0,1,0,0,0|2,0,0]=3 87 B7R0.5 CCOC(=O)C(C)C CS11388 [0,0,1,0,0,0|2,0,1]=4 88 B7R0.5 CCOC(=O)C(C)F MC439605 [0,0,1,0,0,0|2,0,1]=4 89 B7R0.5 CCOC(=O)C(C)N CS15404 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.5 CCOC(=O)C(C)N MC436160 [0,0,1,0,0,0|2,0,1]=4 91 B7R0.5 CCOC(=O)C(C)O CS20075 [0,0,1,0,0,0|1,0,1]=3 92 B9R2.25 O=C1OC(=O)C2CC12 CS22387 [0,0,0,1,0,0|3,0,0]=4 93 B9R1.34 CC1=CC(=O)C=C(O)O1 CS16601 [0,0,0,0,0,1|1,0,1]=3 94 B9R1.34 CC1=CC(=O)NC(=O)N1 CS15364 [0,0,0,0,0,1|2,0,1]=4 95 B9R1.34 CC1=CC(=O)NC(N)=N1 CS14276 [0,0,0,0,0,1|2,0,1]=4 96 B9R1.34 CC1=CC(Br)=CC(C)=N1 CS17464 [0,0,0,0,0,1|2,0,1]=4 97 B9R1.34 CC1=CC(Br)=NC(C)=C1 CS14545 [0,0,0,0,0,1|2,0,1]=4 98 B9R1.34 CC1=CC(C)=CC(Br)=C1 CS19140 [0,0,0,0,0,1|2,0,1]=4 99 B9R1.34 CC1=CC(C)=CC(C)=C1 MC41548 [0,0,0,0,0,1|2,0,1]=4 100 B9R1.34 CC1=CC(C)=CC(I)=C1 CS19879 [0,0,0,0,0,1|2,0,1]=4 101 B9R1.34 CC1=CC(C)=CC(N)=C1 CS19815 [0,0,0,0,0,1|2,0,1]=4 102 B9R1.34 CC1=CC(C)=CC(O)=C1 MC41192 [0,0,0,0,0,1|1,0,2]=4 103 B9R1.34 CC1=CC(C)=CC(S)=C1 MC41408 [0,0,0,0,0,1|1,1,1]=4 104 B9R1.34 CC1=CC(C)=NC(C)=C1 MC41641 [0,0,0,0,0,1|2,0,1]=4 105 B9R1.34 CC1=CC(Cl)=CC(C)=N1 CS17490 [0,0,0,0,0,1|2,0,1]=4 106 B9R1.34 CC1=CC(Cl)=NC(C)=C1 CS18953 [0,0,0,0,0,1|2,0,1]=4 107 B9R1.34 CC1=CC(Cl)=NC(C)=N1 CS19474 [0,0,0,0,0,1|2,0,1]=4 108 B9R1.34 CC1=CC(I)=CC(C)=N1 CS15577 [0,0,0,0,0,1|2,0,1]=4 109 B9R1.34 CC1=CC(N)=CC(C)=N1 CS17195 [0,0,0,0,0,1|2,0,1]=4 110 B9R1.34 CC1=CC(N)=NC(C)=C1 CS19570 [0,0,0,0,0,1|2,0,1]=4 111 B9R1.34 CC1=CC(N)=NC(C)=N1 CS14489 [0,0,0,0,0,1|2,0,1]=4 112 B9R1.34 CC1=CC(O)=CC(=O)N1 CS15737 [0,0,0,0,0,1|2,0,1]=4 113 B9R1.34 CC1=CC(O)=CC(=O)O1 CS15586 [0,0,0,0,0,1|1,0,2]=4 114 B9R1.34 CC1=CC(O)=CC(C)=N1 CS21802 [0,0,0,0,0,1|1,0,2]=4 115 B9R1.34 CC1=CC(O)=NC(C)=C1 CS18772 [0,0,0,0,0,1|1,0,2]=4 116 B9R1.34 CC1=NC(C)=NC(O)=C1 MC428287 [0,0,0,0,0,1|1,0,2]=4 117 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,0,0,0,0,1|2,0,1]=4 118 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,0,0,0,0,1|0,0,2]=3 119 B9R1.34 Cc1cc(C)cc(C)c1 MC444978 [0,0,0,0,0,1|2,0,1]=4 120 B9R1.34 Cc1cc(C)cc(F)c1 CS10870 [0,0,0,0,0,1|2,0,1]=4 121 B9R1.69 CC1=CC(=O)C=CC1=O MC41219 [0,0,0,0,0,1|2,0,1]=4 122 B9R1.69 CC1=CC(Br)=C(C)C=C1 CS21410 [0,0,0,0,0,1|2,0,1]=4 123 B9R1.69 CC1=CC(C)=C(Br)C=C1 MC41530 [0,0,0,0,0,1|2,0,1]=4 124 B9R1.69 CC1=CC(C)=C(C)C=C1 MC41547 [0,0,0,0,0,1|2,0,1]=4 125 B9R1.69 CC1=CC(C)=C(F)C=C1 MC33141 [0,0,0,0,0,1|2,0,1]=4 126 B9R1.69 CC1=CC(C)=C(N)C=C1 CS20011 [0,0,0,0,0,1|2,0,1]=4 127 B9R1.69 CC1=CC(C)=C(O)C=C1 MC30165 [0,0,0,0,0,1|1,0,2]=4 128 B9R1.69 CC1=CC(C)=C(S)C=C1 MC443880 [0,0,0,0,0,1|1,1,1]=4 129 B9R1.69 CC1=CC(C)=NC=C1Br MC427292 [0,0,0,0,0,1|2,0,1]=4 130 B9R1.69 CC1=CC(C)=NNC1=O MC105060 [0,0,0,0,0,1|2,0,1]=4 131 B9R1.69 CC1=CC(Cl)=C(C)C=C1 MC41534 [0,0,0,0,0,1|2,0,1]=4 132 B9R1.69 CC1=CC(F)=C(C)C=C1 CS13237 [0,0,0,0,0,1|2,0,1]=4 133 B9R1.69 CC1=CC(F)=C(C)C=C1 MC433527 [0,0,0,0,0,1|2,0,1]=4 134 B9R1.69 CC1=CC(N)=C(C)C=C1 MC40905 [0,0,0,0,0,1|2,0,1]=4 135 B9R1.69 CC1=CC(O)=C(C)C=C1 CS19431 [0,0,0,0,0,1|1,0,2]=4 136 B9R1.69 CC1=CC=C(Br)C(C)=N1 CS20363 [0,0,0,0,0,1|2,0,1]=4 137 B9R1.69 CC1=CC=C(F)C(C)=N1 MC429927 [0,0,0,0,0,1|2,0,1]=4 138 B9R1.69 CC1=CC=C(N)C(C)=N1 CS19572 [0,0,0,0,0,1|2,0,1]=4 139 B9R1.69 CC1=CC=C(O)C(C)=N1 MC41612 [0,0,0,0,0,1|1,0,2]=4 140 B9R1.69 CC1=CN=C(Br)C(C)=C1 MC20801 [0,0,0,0,0,1|2,0,1]=4 141 B9R1.69 CC1=CN=C(C)C(Br)=C1 MC431912 [0,0,0,0,0,1|2,0,1]=4 142 B9R1.69 CC1=CN=C(C)C(C)=C1 CS20999 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.69 CC1=CN=C(C)C=C1Br MC107156 [0,0,0,0,0,1|2,0,1]=4 144 B9R1.69 CC1=CN=C(C)C=C1Cl CS15163 [0,0,0,0,0,1|2,0,1]=4 145 B9R1.69 CC1=CN=C(C)C=C1N MC111434 [0,0,0,0,0,1|2,0,1]=4 146 B9R1.69 CC1=CN=C(Cl)C(C)=N1 CS21418 [0,0,0,0,0,1|2,0,1]=4 147 B9R1.69 CC1=CN=C(N)C(C)=C1 MC427372 [0,0,0,0,0,1|2,0,1]=4 148 B9R1.69 CC1=CN=C(O)C(C)=N1 CS12599 [0,0,0,0,0,1|1,0,2]=4 149 B9R1.69 CC1=CNC(=O)C(N)=C1 CS21574 [0,0,0,0,0,1|2,0,1]=4 150 B9R1.69 CC1=NC=C(N)C(C)=N1 CS14188 [0,0,0,0,0,1|2,0,1]=4 151 B9R1.69 CC1=NC=C(O)C(C)=N1 CS16008 [0,0,0,0,0,1|1,0,2]=4 152 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,0,0,0,0,1|2,0,1]=4 154 B9R1.69 CN1C=C(Br)C=CC1=O MC442562 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.69 CN1C=C(Br)C=NC1=O CS15983 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.69 CN1C=C(Br)N=CC1=O CS12933 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.69 CN1C=C(N)C=CC1=O MC442264 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.69 CN1C=CC(Br)=CC1=O CS12571 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.69 CN1C=CC(I)=CC1=O MC442287 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.69 CN1C=CC(N)=CC1=O MC425211 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.69 CN1C=CC(N)=CC1=O MC444312 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.69 CN1C=NC(Cl)=CC1=O CS14349 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.69 CN1C=NC(N)=CC1=O MC102813 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.69 CN1N=CC(I)=CC1=O MC104087 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.69 CN1N=CC(N)=CC1=O MC104084 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.69 Cc1ccc(Cl)c(C)c1 MC433524 [0,0,0,0,0,1|2,0,1]=4 167 B6R0.1 CCOC(=O)CO CS11386 [1,0,1,0,0,0|1,0,1]=4 168 B6R0.1 COC(=O)\C=C\I MC20613 [1,0,1,0,0,0|2,0,0]=4 169 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,1,0,0,0|1,0,0]=3 170 B6R0.2 CC(=O)\C=C(/C)N MC105899 [1,0,1,0,0,0|1,0,0]=3 171 B6R0.2 CC(C)=CC(=O)O CS14947 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|1,0,1]=4 173 B6R0.3 CNC(=O)C(C)N MC436151 [1,0,1,0,0,0|2,0,0]=4 174 B6R0.3 CNC(C)C(=O)O MC428068 [1,0,1,0,0,0|2,0,0]=4 175 B6R0.3 CNC(C)C(=O)O MC428076 [1,0,1,0,0,0|2,0,0]=4 176 B6R0.3 CNC(C)C(=O)O MC428084 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.3 COC(=O)C(C)Br CS14958 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.3 COC(=O)C(C)C MC41931 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.3 COC(=O)C(C)Cl CS15798 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.3 COC(=O)C(C)N CS14901 [1,0,1,0,0,0|2,0,0]=4 181 B6R0.3 COC(=O)C(C)N CS16663 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.3 COC(=O)C(C)N CS22242 [1,0,1,0,0,0|2,0,0]=4 183 B6R0.3 COC(=O)C(C)O MC20343 [1,0,1,0,0,0|1,0,0]=3 184 B6R0.3 COC(C)C(=O)O CS14024 [1,0,1,0,0,0|1,0,0]=3 185 B6R0.3 COC(C)C(=O)O MC425243 [1,0,1,0,0,0|1,0,0]=3 186 B6R0.3 CON(C)C(C)=O CS11789 [1,0,1,0,0,0|1,0,1]=4 187 B6R1.2 BrC1=COC=C1 CS19877 [2,0,0,0,0,0|1,0,1]=4 188 B6R1.2 BrC1=NOC=C1 MC113742 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 CC1=CC=CN1 CS21660 [2,0,0,0,0,0|1,0,1]=4 190 B6R1.2 CC1=CC=CO1 MC41695 [2,0,0,0,0,0|0,0,1]=3 191 B6R1.2 CC1=CC=CS1 CS21701 [2,0,0,0,0,0|0,1,1]=4 192 B6R1.2 CC1=CC=NN1 MC21108 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 CC1=CNC=C1 MC20689 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 CC1=NC=CO1 CS11827 [2,0,0,0,0,0|1,0,1]=4 195 B6R1.2 CC1=NNC=C1 CS13720 [2,0,0,0,0,0|2,0,0]=4 196 B6R1.2 CC1=NOC=C1 CS11533 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 CN1C=CC=C1 CS20770 [2,0,0,0,0,0|2,0,0]=4 198 B6R1.2 CN1C=CC=N1 CS19419 [2,0,0,0,0,0|2,0,0]=4 199 B6R1.2 NC1=NOC=C1 CS14368 [2,0,0,0,0,0|2,0,0]=4 200 B6R1.2 O=C1C=CNN1 MC106502 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 O=C1C=CON1 MC442265 [2,0,0,0,0,0|1,0,0]=3 202 B6R1.2 O=C1C=CSN1 MC427073 [2,0,0,0,0,0|1,1,0]=4 203 B6R1.2 O=C1CCOC1 CS18178 [2,0,0,0,0,0|0,0,2]=4 204 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,1,1,0,0,0|1,0,0]=3 205 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,1,1,0,0,0|0,0,2]=4 206 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,1,1,0,0,0|0,0,2]=4 207 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,1,1,0,0,0|0,0,2]=4 208 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,1,1,0,0,0|1,0,0]=3 209 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,1,1,0,0,0|0,0,2]=4 210 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,1,0,0,0|0,0,2]=4 211 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,1,0,0,0|2,0,0]=4 212 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,1,0,0,0|0,0,2]=4 213 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,1,0,0,0|2,0,0]=4 214 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,1,0,0,0|2,0,0]=4 215 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,1,0,0,0|2,0,0]=4 216 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,1,1,0,0,0|2,0,0]=4 217 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [0,1,1,0,0,0|1,0,0]=3 218 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,1,0,0,0|1,0,1]=4 219 B8R1.1 CC1=CC(C#N)=NO1 CS10448 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,1,0,0,0,0|0,1,1]=4 221 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 CC1=COC(CN)=C1 MC105034 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.1 COC1=CC(N)=NO1 CS18977 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.1 NCC1=CC=C(Br)O1 MC432586 [1,1,0,0,0,0|1,0,1]=4 226 B8R1.1 NCc1cc(=O)no1 MC437997 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.1 O=C1C=CC(CO)O1 MC20390 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.1 OCC1=CC=C(Br)O1 CS15423 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.50 CC1=C(C)C(N)=NO1 CS13675 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.50 CC1=NOC(C)=C1I CS17867 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.50 CC1=NOC(C)=C1N MC425384 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.11 CN1N=CC=C1C=O CS18205 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.8 CC1=CC(C)=CC(C=O)=C1 CS21068 [0,1,0,0,0,1|1,0,1]=4 235 B10R1.8 CC1=CC(C=O)=CC(C)=N1 MC443203 [0,1,0,0,0,1|1,0,1]=4 236 B10R1.329 CC1(C)OC(=O)CC(=O)O1 MC20692 [0,1,0,0,0,1|1,0,1]=4 237 B10R1.25 CC1=CC(C)=C(C=O)C=C1 CS21114 [0,1,0,0,0,1|1,0,1]=4 238 B10R1.176 CN1C=C(CN)C=CC1=O MC103927 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.176 CN1C=CC(CN)=CC1=O MC103393 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.176 CN1N=CC(CN)=CC1=O MC111763 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.176 O=C1C=C(CO)OC=C1O CS11536 [0,1,0,0,0,1|1,0,1]=4 242 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,2,0,0,0,0|0,1,1]=4 243 B10R1.59 CC(=O)C1=CC(C)=NN1C CS16943 [0,2,0,0,0,0|2,0,0]=4 244 B10R1.191 CC1=C(C)C(C)C(C)C1=O MC426129 [0,2,0,0,0,0|1,0,0]=3 245 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,0,1,1,0,0|1,0,1]=4 246 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,1,1,0,0|0,0,2]=4 247 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,1,1,0,0|0,0,2]=4 248 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,1,1,0,0|0,0,2]=4 249 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,1,1,0,0|0,0,2]=4 250 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,0,1,1,0,0|1,0,1]=4 251 B8R1.5 O=C1NCCCC1O CS19689 [0,0,1,1,0,0|1,0,1]=4 252 B8R1.5 O=C1OCCCC1O CS16147 [0,0,1,1,0,0|1,0,1]=4 253 B8R1.7 O=C(O)C1CCCO1 CS16192 [0,0,1,1,0,0|1,0,1]=4 254 B8R1.7 O=C(O)C1CCCO1 CS18232 [0,0,1,1,0,0|1,0,1]=4 255 B8R1.7 O=C(O)C1CCCO1 MC20393 [0,0,1,1,0,0|1,0,1]=4 256 B8R2.34 C1=CC2CCC1C2 CS11805 [1,0,0,1,0,0|1,0,1]=4 257 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [1,0,0,0,0,1|1,0,1]=4 258 B8R1.3 CC1=CN=C(C)C=C1 CS21154 [1,0,0,0,0,1|1,0,1]=4 259 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [1,0,0,0,0,1|1,0,1]=4 260 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [1,0,0,0,0,1|2,0,0]=4