0 B5R0.1 C=C(C)CCBr CS14513 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC#CC(=O)O MC20776 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 CC(=O)\C=N\O CS11520 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.1 CC(=O)\C=N\O CS18968 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 CC(C)=CCBr MC41900 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(C)CC=O CS11530 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CCCC(C)=O CS21731 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCOC(=N)N CS11818 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CN(C)CC=O CS17734 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CNCC(=O)O CS18595 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CNCC(N)=O MC438151 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 COCC(=O)Cl MC40491 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 COCC(=O)O CS11579 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 COCC(N)=O MC41924 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CSCC(=O)Cl MC106201 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 CSCC(N)=O CS12608 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C\C=C\C(=O)O MC41882 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 N#CCC(=O)O MC41881 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 N#CCC(N)=O CS18594 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 NCCC(=O)O CS13499 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 NCCC(N)=O MC436150 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 O=C(O)CCO MC20638 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|1,0,2]=4 23 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|1,0,0]=2 24 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,0,1]=3 25 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,0,1]=3 26 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 CC(C)ON CS13668 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 COC(N)=[NH2+] CS11820 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 NNC(N)=O CS11949 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 C=CCNN MC107856 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.2 C=CC[Pd]Cl MC444917 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.2 C=COCC MC41915 [1,0,0,0,0,0|0,0,1]=2 51 B4R0.2 CCCC=O MC41868 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 CCOC=N MC33024 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 CCOC=O MC41912 [1,0,0,0,0,0|0,0,2]=3 54 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|0,0,3]=4 55 B4R0.2 C\C=C\C=O MC41879 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.1 C#CC(=O)OCC MC434052 [0,1,0,0,0,0|0,0,3]=4 57 B6R0.1 CCNC(=O)NC MC428152 [0,1,0,0,0,0|1,0,2]=4 58 B6R0.1 CCOC(=O)CBr MC41907 [0,1,0,0,0,0|0,0,2]=3 59 B6R0.1 CCOC(=O)CCl MC41910 [0,1,0,0,0,0|0,0,2]=3 60 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|0,0,2]=3 61 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|0,0,2]=3 62 B6R0.1 CCOC(=O)NN CS11383 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 CNC(=O)CC#N CS18404 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CNCC(=O)OC MC438154 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 COC(=O)C#CBr MC427266 [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 COC(=O)CC#N MC428339 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 COC(=O)\C=C\I MC20613 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 C\C=C\C(=O)OC MC41953 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.2 CC(=O)\C=C(/C)N MC105899 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.2 CC(C)=CC(=O)O CS14947 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.2 NC(=O)CC(N)=O CS11565 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.2 NC(=O)NC(N)=O CS11485 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.2 O=C(O)CC(=O)O MC41922 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.2 O=C(O)CC(=O)O MC41938 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.3 C=CC(N)C(=O)O MC21080 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.3 CON(C)C(C)=O CS11789 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.4 C=CCCC(=O)O CS15216 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.4 C=C\C=C\C(=O)O CS12033 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.4 CC(=O)CCCBr CS10305 [0,1,0,0,0,0|1,0,2]=4 84 B6R0.4 CC(=O)CCCCl CS10334 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.4 CC(=O)NCCCl MC33011 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.4 CN(C)\C=C\C=O MC42238 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.4 CO\C=C\C(C)=O MC33352 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.5 CCOS(C)(=O)=O MC445528 [0,1,0,0,0,0|1,0,2]=4 89 B6R1.2 BrC1=CC=CS1 CS21414 [0,0,0,1,0,0|1,1,1]=4 90 B6R1.2 BrC1=CC=C[Se]1 MC114898 [0,0,0,1,0,0|1,1,1]=4 91 B6R1.2 BrC1=CN=CO1 MC105695 [0,0,0,1,0,0|2,0,1]=4 92 B6R1.2 BrC1=NC=CN1 CS19858 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 BrC1=NC=CO1 MC104314 [0,0,0,1,0,0|2,0,0]=3 94 B6R1.2 BrC1=NC=CS1 CS14242 [0,0,0,1,0,0|2,1,0]=4 95 B6R1.2 CC1=CC=CN1 CS21660 [0,0,0,1,0,0|2,0,0]=3 96 B6R1.2 CC1=CC=CO1 MC41695 [0,0,0,1,0,0|1,0,0]=2 97 B6R1.2 CC1=CC=CS1 CS21701 [0,0,0,1,0,0|1,1,0]=3 98 B6R1.2 CC1=CC=NN1 MC21108 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.2 CC1=CN=CS1 CS10460 [0,0,0,1,0,0|2,1,0]=4 100 B6R1.2 CC1=CNC=C1 MC20689 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 CC1=CNC=N1 MC20397 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 CC1=COC=N1 MC427478 [0,0,0,1,0,0|3,0,0]=4 103 B6R1.2 CC1=CSC=N1 CS15621 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 CC1=NC=CO1 CS11827 [0,0,0,1,0,0|1,0,0]=2 105 B6R1.2 CC1=NC=CS1 CS22598 [0,0,0,1,0,0|1,1,0]=3 106 B6R1.2 CC1=NN=CO1 CS12863 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.2 CC1=NNC=C1 CS13720 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.2 CC1=NNC=N1 CS22353 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.2 CC1=NOC=C1 CS11533 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.2 CN1C=CC=C1 CS20770 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 CN1C=CC=N1 CS19419 [0,0,0,1,0,0|3,0,0]=4 112 B6R1.2 ClC1=NC=CO1 MC106420 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.2 FC1=NC=CN1 MC430938 [0,0,0,1,0,0|3,0,0]=4 114 B6R1.2 FC1=NC=CN1 MC431135 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.2 IC1=CC=CS1 CS21616 [0,0,0,1,0,0|1,1,1]=4 116 B6R1.2 IC1=NC=CN1 CS21881 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.2 IC1=NC=CO1 MC103755 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 NC1=NC=CN1 CS13716 [0,0,0,1,0,0|3,0,0]=4 119 B6R1.2 NC1=NC=CN1 CS16946 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 NC1=NC=CO1 CS19070 [0,0,0,1,0,0|2,0,0]=3 121 B6R1.2 NC1=NC=CS1 CS16381 [0,0,0,1,0,0|2,1,0]=4 122 B6R1.2 NC1CC=CC1 CS19415 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 O=C1C=CNN1 MC106502 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 O=C1C=CON1 MC442265 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.2 O=C1C=CSN1 MC427073 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|1,0,2]=4 128 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 O=C1NC=CN1 MC20853 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 O=C1OCCO1 CS20012 [0,0,0,1,0,0|1,0,2]=4 134 B6R1.2 OC1=NC=CS1 CS12100 [0,0,0,1,0,0|1,1,1]=4 135 B6R1.2 OC1CC=CC1 MC10342 [0,0,0,1,0,0|1,0,2]=4 136 B6R1.5 NC1CC(=O)C1 MC444232 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.5 O=C1CC(F)C1 MC104154 [0,0,0,1,0,0|2,0,1]=4 138 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,1]=4 139 B3R0.1 C=C[Mg]Br MC10627 [2,0,0,0,0,0|2,0,0]=4 140 B3R0.1 CCON CS11314 [2,0,0,0,0,0|1,0,1]=4 141 B3R0.1 CNOC CS13986 [2,0,0,0,0,0|1,0,1]=4 142 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|1,0,1]=4 143 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|0,0,1]=3 144 B3R0.1 Cl\C=C\Cl MC41969 [2,0,0,0,0,0|2,0,0]=4 145 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,0]=3 146 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,0]=3 147 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|0,0,0]=2 148 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|0,0,1]=3 149 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|0,0,1]=3 150 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|0,0,1]=3 151 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,0]=3 152 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|0,1,0]=3 153 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|1,0,1]=4 154 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,1]=4 156 B3R0.2 O=C([O-])[O-] CS11119 [2,0,0,0,0,0|1,0,1]=4 157 B3R0.2 O=S([O-])O MC445110 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.2 O=S([O-])O MC445111 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.2 O=[PH](O)O MC34534 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.3 CNC(=O)CCl MC21094 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.3 CNC(=O)CN MC437710 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.3 COC(=O)CN CS15045 [1,1,0,0,0,0|0,0,1]=3 163 B5R0.3 COC(=O)CO CS19433 [1,1,0,0,0,0|0,0,1]=3 164 B5R0.3 COC(=O)CS MC20578 [1,1,0,0,0,0|0,0,1]=3 165 B5R0.3 COC(=O)NN MC20825 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.3 O=C(CO)CO CS11245 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.3 O=CC(=O)CO MC427604 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.4 COS(C)(=O)=O MC445529 [1,1,0,0,0,0|1,0,1]=4 169 B5R0.5 CC(=O)C(=O)O MC41939 [1,1,0,0,0,0|1,0,0]=3 170 B5R0.5 NC(=O)C(N)=O MC20822 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.5 O=C(O)C(=O)O CS11387 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.5 O=C(O)C(=O)O MC425345 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.2 O=CNNC=O CS20491 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|0,0,2]=4 177 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,2,0,0,0,0|0,0,1]=3 179 B7R0.2 COC(=O)CC(=O)O CS13436 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.2 COC(=O)CC(C)=O MC41927 [0,2,0,0,0,0|1,0,1]=4 182 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.3 C=CCOC(=O)CCl MC428296 [0,2,0,0,0,0|0,0,0]=2 184 B7R0.3 COC(=O)CCC=O MC21172 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,2,0,0,0,0|1,0,1]=4 187 B7R0.3 O=C(CCl)\N=C\NO MC107742 [0,2,0,0,0,0|2,0,0]=4 188 B7R0.5 C=CCC(N)C(=O)O MC439179 [0,2,0,0,0,0|2,0,0]=4 189 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|0,0,2]=4 190 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|0,0,2]=4 191 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|0,0,2]=4 192 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|0,0,2]=4 193 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|0,0,2]=4 194 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.5 CCOC(=O)C(F)F CS11385 [0,2,0,0,0,0|0,0,2]=4 197 B7R0.7 CC#CC(=O)OCC CS10117 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.7 CCOC(=O)CC#N MC41911 [0,2,0,0,0,0|0,0,2]=4 199 B7R0.7 CCOC(=O)CCN CS14330 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.7 CCOC(=O)CNC CS17068 [0,2,0,0,0,0|0,0,2]=4 201 B7R0.7 CCOC(=O)CNN CS19987 [0,2,0,0,0,0|0,0,2]=4 202 B7R0.7 CCOC(=O)COC CS11389 [0,2,0,0,0,0|0,0,2]=4 203 B7R0.4 C=CCNCC(=O)O MC439317 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.4 CC#CCOC(C)=O MC434061 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.4 CCC\C=C\C(C)=O MC20875 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,2,0,0,0,0|1,0,1]=4 210 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|0,0,2]=4 211 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|1,0,1]=4 212 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|1,0,1]=4 213 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|1,0,1]=4 214 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|1,0,1]=4 215 B5R1.3 C=CC1CO1 MC428261 [1,0,0,1,0,0|0,0,2]=4 216 B5R1.1 C1=CCNC1 MC10278 [1,0,0,1,0,0|2,0,0]=4 217 B5R1.1 C1=CNC=C1 MC20798 [1,0,0,1,0,0|1,0,1]=4 218 B5R1.1 C1=CNC=N1 CS19767 [1,0,0,1,0,0|2,0,0]=4 219 B5R1.1 C1=CON=C1 MC20462 [1,0,0,1,0,0|1,0,1]=4 220 B5R1.1 C1=CSC=C1 MC41709 [1,0,0,1,0,0|0,1,1]=4 221 B5R1.1 C1=CSC=N1 MC425154 [1,0,0,1,0,0|1,1,0]=4 222 B5R1.1 C1=C[CH-]C=C1 MC21078 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.1 BrCC1=CC=CS1 MC111260 [0,1,0,1,0,0|1,1,0]=4 224 B7R1.1 BrCC1=CC=NO1 MC114075 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.1 BrCC1=NC=CO1 MC106296 [0,1,0,1,0,0|1,0,0]=3 226 B7R1.1 BrCC1=NC=CS1 CS12090 [0,1,0,1,0,0|1,1,0]=4 227 B7R1.1 CCC1=NC=CN1 CS21533 [0,1,0,1,0,0|2,0,0]=4 228 B7R1.1 CNC1=NC=CS1 CS12598 [0,1,0,1,0,0|1,1,0]=4 229 B7R1.1 COC1=NC=CS1 CS22597 [0,1,0,1,0,0|1,1,0]=4 230 B7R1.1 CSC1=NC=CO1 CS17723 [0,1,0,1,0,0|1,0,0]=3 231 B7R1.1 ClCC1=CC=CO1 CS13429 [0,1,0,1,0,0|1,0,0]=3 232 B7R1.1 ClCC1=CN=CO1 MC105780 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.1 ClCC1=CN=CO1 MC114644 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.1 ClCC1=NC=CN1 CS20896 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.1 NCC1=CC=CN1 CS14874 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.1 NCC1=CC=CO1 MC41689 [0,1,0,1,0,0|1,0,0]=3 237 B7R1.1 NCC1=CC=CS1 CS22783 [0,1,0,1,0,0|1,1,0]=4 238 B7R1.1 NCC1=CN=CO1 CS17502 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.1 NCC1=CN=CO1 CS18508 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.1 NCC1=CN=CO1 MC104477 [0,1,0,1,0,0|2,0,0]=4 241 B7R1.1 NCC1=NC=CS1 MC444202 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.1 NCC1=NN=CO1 MC103312 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.1 O=CC1=CC=CN1 CS17764 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.1 O=CC1=CC=CN1 MC434011 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.1 O=CC1=CC=CO1 MC41686 [0,1,0,1,0,0|0,0,1]=3 246 B7R1.1 O=CC1=CC=CS1 CS16400 [0,1,0,1,0,0|0,1,1]=4 247 B7R1.1 O=CC1=CN=CO1 MC100355 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.1 O=CC1=NC=CN1 CS15723 [0,1,0,1,0,0|2,0,0]=4 249 B7R1.1 OCC1=CC=CO1 MC41687 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.1 OCC1=CC=NO1 CS15343 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.1 OCC1=NC=CS1 MC113802 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,1,0,1,0,0|1,1,0]=4 255 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,1,0,1,0,0|1,0,1]=4 257 B7R1.2 CC1=CC=C(Br)S1 CS22735 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.2 CC1=CC=C(C)N1 CS21153 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.2 CC1=CN=C(C)S1 CS22782 [0,1,0,1,0,0|1,1,0]=4 260 B7R1.2 CC1=CNC(C)=N1 CS21117 [0,1,0,1,0,0|2,0,0]=4 261 B7R1.2 CC1=COC(Br)=N1 MC113513 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.2 CC1=CSC(C)=N1 CS22781 [0,1,0,1,0,0|1,1,0]=4 263 B7R1.2 CC1=NC(I)=CS1 MC432141 [0,1,0,1,0,0|1,1,0]=4 264 B7R1.2 CC1=NC=C(I)N1 CS19295 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.2 CC1=NC=C(I)S1 MC441133 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.2 CC1=NC=C(N)N1 MC445566 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.2 CC1=NC=C(N)S1 CS15937 [0,1,0,1,0,0|1,1,0]=4 268 B7R1.2 CC1=NN=C(C)O1 CS15161 [0,1,0,1,0,0|1,0,1]=4 269 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,1,0,1,0,0|1,0,1]=4 270 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,1,0,1,0,0|1,0,1]=4 271 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,1,0,1,0,0|1,0,1]=4 273 B7R1.2 CC1COC(=O)O1 MC428298 [0,1,0,1,0,0|0,0,2]=4 274 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,1,0,1,0,0|2,0,0]=4 275 B7R1.2 NC1=NNC(=O)C1 CS14532 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.2 NC1COC(=O)C1 CS14340 [0,1,0,1,0,0|0,0,2]=4 277 B7R1.2 NC1COC(=O)C1 CS14674 [0,1,0,1,0,0|0,0,2]=4 278 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,1,0,1,0,0|2,0,0]=4 280 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,1,0,1,0,0|1,0,1]=4 281 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.2 O=C1NOC(=O)N1 MC115169 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.3 CC1=CC=CN=C1 MC107850 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.3 CC1=CC=CN=N1 CS22374 [0,1,0,1,0,0|2,0,0]=4 287 B7R1.3 CC1=CC=NC=C1 MC31239 [0,1,0,1,0,0|2,0,0]=4 288 B7R1.3 CC1=CC=NC=C1 MC41625 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.3 CC1=NC=CC=C1 MC41623 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.3 CC1=NC=NC=C1 CS19795 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.3 O=C1C=CC=CN1 CS18724 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.3 O=C1C=CC=NN1 CS19793 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.3 O=C1C=CCCC1 MC41883 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.3 O=C1C=CCCN1 CS15771 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|0,0,2]=4 296 B7R1.3 O=C1C=CN=CN1 CS19105 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,1,0,0|0,0,2]=4 298 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,1,0,0|0,0,2]=4 300 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|0,0,2]=4 301 B7R1.4 CC1=C(Br)SC=C1 CS13700 [0,1,0,1,0,0|1,1,0]=4 302 B7R1.4 CN1C=CN=C1Br MC428146 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.4 CN1C=CN=C1I CS21609 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.4 CN1N=CCC1=O CS15601 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|0,0,2]=4 306 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|0,0,2]=4 307 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|1,0,1]=4 308 B7R1.14 O=S1(=O)C=CCO1 CS13255 [0,1,0,1,0,0|2,0,0]=4