0 B7R1.1 C#CC1=NC=CS1 Z1255400696 [0,0,0,0,0,0|2,1,1]=4 1 B7R1.1 C#CC1=NNC=C1 Z1868316810 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 CCC1=CC=CO1 Z640169748 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.1 CCC1=CNC=N1 Z1203731354 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 CCC1=CNN=C1 Z1139192482 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.1 CCC1=NC=CN1 Z803154382 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 CCC1=NN=CN1 Z2065464313 [0,0,0,0,0,0|4,0,0]=4 7 B7R1.1 CCC1=NNC=C1 Z1238571110 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 CCN1C=CC=N1 Z600618624 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 CCN1C=CN=C1 Z286789018 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.1 CCN1C=CN=N1 Z4497103939 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CNC1=NC=CS1 Z336483296 [0,0,0,0,0,0|3,1,0]=4 12 B7R1.1 CNC1=NN=CO1 Z235540568 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CNC1=NOC=C1 Z2489381644 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 COC1=NNC=C1 Z2130657375 [0,0,0,0,0,0|4,0,0]=4 15 B7R1.1 COC1=NSC=C1 Z1198333966 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.1 CSC1=NC=CN1 Z1203730949 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.1 N#CC1=CC=CS1 Z56946090 [0,0,0,0,0,0|1,1,1]=3 18 B7R1.1 N#CC1=CC=NN1 Z1082448654 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.1 N#CC1=CN=CS1 Z1160900223 [0,0,0,0,0,0|2,1,1]=4 20 B7R1.1 N#CC1=CNC=C1 Z1198155834 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 N#CC1=COC=C1 Z1079178908 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.1 N#CC1=COC=N1 Z1143441220 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.1 N#CC1=CSC=C1 Z57900046 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 N#CC1=CSC=N1 Z1079456078 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 N#CC1=NC=CN1 Z1198180312 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 N#CC1=NC=CS1 Z1198221374 [0,0,0,0,0,0|2,1,1]=4 27 B7R1.1 N#CC1=NSC=C1 Z1255498705 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 NCC1=CC=CN1 Z976631692 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.1 NCC1=CC=CS1 Z104485908 [0,0,0,0,0,0|1,1,0]=2 30 B7R1.1 NCC1=CC=NO1 Z1964347782 [0,0,0,0,0,0|2,0,0]=2 31 B7R1.1 NCC1=CC=NS1 Z2310716170 [0,0,0,0,0,0|2,1,0]=3 32 B7R1.1 NCC1=CN=CN1 Z1250100778 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.1 NCC1=CNC=C1 Z1203586194 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.1 NCC1=CNN=C1 Z1198394221 [0,0,0,0,0,0|4,0,0]=4 35 B7R1.1 NCC1=CNN=N1 Z2768172060 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.1 NCC1=COC=C1 Z406680098 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 NCC1=CSN=C1 Z2310727787 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.1 NCC1=NC=CN1 Z1962341939 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 NCC1=NC=CO1 Z4774639311 [0,0,0,0,0,0|2,0,0]=2 40 B7R1.1 NCC1=NC=CS1 Z1198107502 [0,0,0,0,0,0|2,1,0]=3 41 B7R1.1 NCC1=NC=NO1 Z2310727797 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 NCC1=NN=CO1 Z104505014 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 NCC1=NN=CS1 Z2738360224 [0,0,0,0,0,0|3,1,0]=4 44 B7R1.1 NCC1=NOC=C1 Z802903300 [0,0,0,0,0,0|3,0,0]=3 45 B7R1.1 NCC1=NOC=N1 Z1266854926 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.1 NCC1=NON=C1 Z2944173400 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.1 NCC1C=CCC1 Z2768196818 [0,0,0,0,0,0|2,0,2]=4 48 B7R1.1 NCC1CC=CC1 Z2310699469 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.1 O=CC1=CC=CN1 Z104478580 [0,0,0,0,0,0|1,1,1]=3 50 B7R1.1 O=CC1=CC=CO1 Z57161925 [0,0,0,0,0,0|0,1,1]=2 51 B7R1.1 O=CC1=CC=CS1 Z104472120 [0,0,0,0,0,0|0,2,1]=3 52 B7R1.1 O=CC1=CNC=C1 Z1154253206 [0,0,0,0,0,0|2,1,1]=4 53 B7R1.1 O=CC1=COC=C1 Z1065630348 [0,0,0,0,0,0|2,1,1]=4 54 B7R1.1 O=CC1=COC=N1 Z1255431640 [0,0,0,0,0,0|2,1,1]=4 55 B7R1.1 O=CC1=CSC=C1 Z57887873 [0,0,0,0,0,0|2,1,1]=4 56 B7R1.1 O=CC1=CSC=N1 Z734052598 [0,0,0,0,0,0|2,1,1]=4 57 B7R1.1 O=CC1=NNC=C1 Z234896951 [0,0,0,0,0,0|2,1,1]=4 58 B7R1.1 OCC1=CC=CO1 Z104472794 [0,0,0,0,0,0|0,1,0]=1 59 B7R1.1 OCC1=CC=CS1 Z104478586 [0,0,0,0,0,0|0,2,0]=2 60 B7R1.1 OCC1=CNC=N1 Z234898057 [0,0,0,0,0,0|2,1,0]=3 61 B7R1.1 OCC1=CNN=C1 Z812520032 [0,0,0,0,0,0|3,1,0]=4 62 B7R1.1 OCC1=COC=C1 Z397587426 [0,0,0,0,0,0|2,1,0]=3 63 B7R1.1 OCC1=CSN=N1 Z234897281 [0,0,0,0,0,0|3,1,0]=4 64 B7R1.1 OCC1=NC=CN1 Z825761068 [0,0,0,0,0,0|2,1,0]=3 65 B7R1.1 OCC1=NC=CS1 Z57161013 [0,0,0,0,0,0|1,2,0]=3 66 B7R1.1 OCC1=NN=CN1 Z2574360328 [0,0,0,0,0,0|3,1,0]=4 67 B7R1.1 OCC1=NOC=C1 Z875021162 [0,0,0,0,0,0|2,1,0]=3 68 B7R1.1 OCC1CC=CC1 Z1201622687 [0,0,0,0,0,0|1,1,2]=4 69 B7R1.1 OCN1C=CC=N1 Z1198155714 [0,0,0,0,0,0|2,1,0]=3 70 B7R1.1 OCN1C=NC=N1 Z57071658 [0,0,0,0,0,0|3,1,0]=4 71 B6R1.2 BrC1=CNC=N1 Z1213725191 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 CC1=CC=CN1 Z594218440 [1,0,0,0,0,0|1,0,0]=2 73 B6R1.2 CC1=CC=CO1 Z104472456 [1,0,0,0,0,0|0,0,0]=1 74 B6R1.2 CC1=CCNC1 Z1203734447 [1,0,0,0,0,0|2,0,1]=4 75 B6R1.2 CC1=CN=CN1 Z1945707502 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.2 CC1=CN=CO1 Z1198180653 [1,0,0,0,0,0|1,0,0]=2 77 B6R1.2 CC1=CNC=C1 Z1203730789 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 CC1=CNN=C1 Z600419582 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 CC1=CNN=N1 Z1255358215 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 CC1=COC=N1 Z1198313432 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 CC1=NC=CN1 Z104494990 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 CC1=NNC=C1 Z450469310 [1,0,0,0,0,0|2,0,0]=3 83 B6R1.2 CC1=NNC=N1 Z939944658 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 CN1C=CC=C1 Z57127895 [1,0,0,0,0,0|2,0,0]=3 85 B6R1.2 CN1C=CC=N1 Z336081430 [1,0,0,0,0,0|2,0,0]=3 86 B6R1.2 CN1C=CN=C1 Z104506032 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 CN1C=CN=N1 Z1198221873 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 CN1C=NC=N1 Z237493308 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 ClC1=NNC=C1 Z1255493581 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 NC1=CC=NO1 Z415654518 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.2 NC1=CC=NS1 Z2568737642 [1,0,0,0,0,0|2,1,0]=4 92 B6R1.2 NC1=CNC=N1 Z3241270014 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 NC1=CSC=C1 Z1962138158 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 NC1=NC=CN1 Z1262237195 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 NC1=NC=CO1 Z939904646 [1,0,0,0,0,0|2,0,0]=3 96 B6R1.2 NC1=NC=CS1 Z104472798 [1,0,0,0,0,0|2,1,0]=4 97 B6R1.2 NC1=NN=CO1 Z277559304 [1,0,0,0,0,0|3,0,0]=4 98 B6R1.2 NC1=NNC=C1 Z240126818 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 O=C1C=CCO1 Z1219048777 [1,0,0,0,0,0|0,1,1]=3 100 B6R1.2 O=C1C=CNN1 Z1198154338 [1,0,0,0,0,0|2,1,0]=4 101 B6R1.2 O=C1C=CSN1 Z1741980421 [1,0,0,0,0,0|2,1,0]=4 102 B6R1.2 O=C1NC=CN1 Z1198148260 [1,0,0,0,0,0|2,1,0]=4 103 B6R1.2 O=C1NC=CS1 Z445210514 [1,0,0,0,0,0|1,2,0]=4 104 B6R1.2 OC1=NOC=C1 Z1255501207 [1,0,0,0,0,0|2,1,0]=4 105 B6R1.2 ON1C=CC=N1 Z1198342489 [1,0,0,0,0,0|2,1,0]=4 106 B6R1.2 SC1=NC=CN1 Z1198723329 [1,0,0,0,0,0|2,0,0]=3 107 B6R1.2 SC1=NC=NN1 Z56871783 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 SC1=NN=CS1 Z104503476 [1,0,0,0,0,0|2,1,0]=4 109 B8R1.1 CC1=CC(=NO1)CCl Z90122430 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 CC1=CC=C(N1)C=O Z1198176668 [0,1,0,0,0,0|1,1,1]=4 111 B8R1.1 CC1=CC=C(O1)C#N Z56963430 [0,1,0,0,0,0|1,0,1]=3 112 B8R1.1 CC1=CC=C(O1)C=O Z56899216 [0,1,0,0,0,0|0,1,1]=3 113 B8R1.1 CC1=CC=C(O1)CO Z335244864 [0,1,0,0,0,0|0,1,0]=2 114 B8R1.1 CC1=CC=C(S1)C#N Z336080058 [0,1,0,0,0,0|1,1,1]=4 115 B8R1.1 CC1=CC=C(S1)C=O Z104478048 [0,1,0,0,0,0|0,2,1]=4 116 B8R1.1 CC1=CC=C(S1)CO Z381678056 [0,1,0,0,0,0|0,2,0]=3 117 B8R1.1 CC1=CN=C(O1)C=O Z1198163538 [0,1,0,0,0,0|1,1,1]=4 118 B8R1.1 CC1=CN=C(O1)CN Z1198236438 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.1 CC1=CN=C(O1)CO Z1198313418 [0,1,0,0,0,0|1,1,0]=3 120 B8R1.1 CC1=CN=C(S1)CN Z994267440 [0,1,0,0,0,0|2,1,0]=4 121 B8R1.1 CC1=CNC(=N1)CO Z3015789123 [0,1,0,0,0,0|2,1,0]=4 122 B8R1.1 CC1=COC(=C1)C=O Z1255374618 [0,1,0,0,0,0|0,1,1]=3 123 B8R1.1 CC1=COC(=N1)C=O Z1198279988 [0,1,0,0,0,0|1,1,1]=4 124 B8R1.1 CC1=CSC(=C1)C=O Z1255423820 [0,1,0,0,0,0|0,2,1]=4 125 B8R1.1 CC1=CSC(=C1)CN Z2235810231 [0,1,0,0,0,0|1,1,0]=3 126 B8R1.1 CC1=CSC(=N1)CO Z1037609598 [0,1,0,0,0,0|1,2,0]=4 127 B8R1.1 CC1=NC(=CS1)CCl Z56943451 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.1 CC1=NC(=CS1)CN Z54749838 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.1 CC1=NC=C(O1)C=O Z1198169811 [0,1,0,0,0,0|1,1,1]=4 130 B8R1.1 CC1=NC=C(S1)CO Z608610310 [0,1,0,0,0,0|1,2,0]=4 131 B8R1.1 CC1=NN=C(O1)CCl Z56347521 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.1 CC1=NN=C(O1)CO Z431951972 [0,1,0,0,0,0|2,1,0]=4 133 B8R1.1 CC1=NOC(=C1)C=O Z1079442828 [0,1,0,0,0,0|1,1,1]=4 134 B8R1.1 CC1=NOC(=C1)CCl Z119990894 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.1 CC1=NOC(=C1)CO Z431951966 [0,1,0,0,0,0|1,1,0]=3 136 B8R1.1 CC1=NOC(=N1)CN Z802671508 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.1 CC1=NOC(=N1)CO Z431951984 [0,1,0,0,0,0|2,1,0]=4 138 B8R1.1 CCC1=CC(=CS1)Br Z1255374735 [0,1,0,0,0,0|1,1,0]=3 139 B8R1.1 CCC1=CC(=NN1)O Z1198163105 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 CCC1=CN=C(O1)N Z994289172 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.1 CCC1=CN=C(S1)N Z851799002 [0,1,0,0,0,0|2,1,0]=4 142 B8R1.1 CCC1=CNC(=O)N1 Z1198151065 [0,1,0,0,0,0|3,0,0]=4 143 B8R1.1 CCC1=CSC(=N1)Cl Z1037582854 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.1 CCC1=CSC(=N1)N Z1263824431 [0,1,0,0,0,0|3,0,0]=4 145 B8R1.1 CCC1=CSC(=O)N1 Z916925862 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.1 CCC1=NN=C(O1)N Z285233906 [0,1,0,0,0,0|3,0,0]=4 147 B8R1.1 CCC1=NNC(=C1)N Z360168062 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.1 CCC1=NOC(=C1)N Z360168622 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.1 CCN1C=C(C=N1)O Z1165304366 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.1 CCN1C=CC(=N1)C Z2696515582 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.1 CCN1C=CC(=N1)O Z2941655720 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.1 CN1C=CC(=N1)CN Z2724335171 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.1 CN1C=CC(=N1)CO Z802669186 [0,1,0,0,0,0|2,1,0]=4 154 B8R1.1 CN1C=NC(=C1)CO Z1137167436 [0,1,0,0,0,0|2,1,0]=4 155 B8R1.1 ClCC1=CC=C(S1)Cl Z57039589 [0,1,0,0,0,0|1,1,0]=3 156 B8R1.1 N#CC1=CC(=CN1)Br Z1262615834 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.1 N#CC1=CC(=CN1)I Z1509168242 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.1 N#CC1=CC(=CS1)Br Z381355288 [0,1,0,0,0,0|1,1,1]=4 159 B8R1.1 N#CC1=CC(=CS1)Cl Z1255445286 [0,1,0,0,0,0|1,1,1]=4 160 B8R1.1 N#CC1=CC=C(O1)Br Z381355274 [0,1,0,0,0,0|1,0,1]=3 161 B8R1.1 N#CC1=CC=C(S1)Br Z330795834 [0,1,0,0,0,0|1,1,1]=4 162 B8R1.1 N#CC1=CC=C(S1)Cl Z381355296 [0,1,0,0,0,0|1,1,1]=4 163 B8R1.1 N#CC1=CC=C(S1)I Z1269163165 [0,1,0,0,0,0|1,1,1]=4 164 B8R1.1 NC1=NC(=CS1)CCl Z234904524 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.1 NC1=NC(=CS1)CO Z2092371345 [0,1,0,0,0,0|2,1,0]=4 166 B8R1.1 NC1=NN=C(O1)CO Z1203584672 [0,1,0,0,0,0|2,1,0]=4 167 B8R1.1 NCC1=CC(=CN1)Br Z1278621610 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.1 NCC1=CC(=CS1)Br Z234895215 [0,1,0,0,0,0|1,1,0]=3 169 B8R1.1 NCC1=CC=C(S1)Br Z336481666 [0,1,0,0,0,0|1,1,0]=3 170 B8R1.1 NCC1=CC=C(S1)Cl Z426041582 [0,1,0,0,0,0|1,1,0]=3 171 B8R1.1 NCC1=CN=C(S1)Cl Z1741976615 [0,1,0,0,0,0|2,1,0]=4 172 B8R1.1 NCC1=CN=C(S1)N Z2989210641 [0,1,0,0,0,0|2,1,0]=4 173 B8R1.1 NCC1=CSC(=C1)Br Z234896703 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.1 NCC1=CSC(=N1)N Z1263820281 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.1 NCC1=CSC(=O)N1 Z1434233458 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.1 NCC1=NN=C(O1)N Z1737940729 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.1 NCC1=NN=C(O1)S Z1787355966 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.1 O=C1C=C(CO1)CO Z1486015893 [0,1,0,0,0,0|2,1,0]=4 179 B8R1.1 O=CC1=CC(=CN1)I Z1183442838 [0,1,0,0,0,0|1,1,1]=4 180 B8R1.1 O=CC1=CC(=CO1)Br Z898215000 [0,1,0,0,0,0|0,1,1]=3 181 B8R1.1 O=CC1=CC(=CS1)Br Z104487482 [0,1,0,0,0,0|0,2,1]=4 182 B8R1.1 O=CC1=CC(=CS1)Cl Z1198313989 [0,1,0,0,0,0|0,2,1]=4 183 B8R1.1 O=CC1=CC(=CS1)I Z1269222755 [0,1,0,0,0,0|0,2,1]=4 184 B8R1.1 O=CC1=CC=C(O1)Br Z57041993 [0,1,0,0,0,0|0,1,1]=3 185 B8R1.1 O=CC1=CC=C(O1)Cl Z57834244 [0,1,0,0,0,0|0,1,1]=3 186 B8R1.1 O=CC1=CC=C(O1)I Z57313911 [0,1,0,0,0,0|0,1,1]=3 187 B8R1.1 O=CC1=CC=C(S1)Br Z55928862 [0,1,0,0,0,0|0,2,1]=4 188 B8R1.1 O=CC1=CC=C(S1)Cl Z220630970 [0,1,0,0,0,0|0,2,1]=4 189 B8R1.1 O=CC1=CC=C(S1)F Z1198317148 [0,1,0,0,0,0|0,2,1]=4 190 B8R1.1 O=CC1=CC=C(S1)I Z1269210626 [0,1,0,0,0,0|0,2,1]=4 191 B8R1.1 OCC1=CC(=CS1)Br Z362636152 [0,1,0,0,0,0|0,2,0]=3 192 B8R1.1 OCC1=CC=C(S1)Cl Z381678198 [0,1,0,0,0,0|0,2,0]=3 193 B8R1.1 OCC1=CSC(=C1)Br Z431952558 [0,1,0,0,0,0|2,1,0]=4 194 B8R1.1 OCC1=CSC(=N1)S Z2863487239 [0,1,0,0,0,0|2,1,0]=4 195 B8R1.1 OCC1=NC=C(S1)Br Z1270530467 [0,1,0,0,0,0|1,2,0]=4 196 B8R1.1 OCC1=NNC(=C1)O Z1198176676 [0,1,0,0,0,0|2,1,0]=4 197 B8R1.1 OCN1C=C(C=N1)Br Z1198179991 [0,1,0,0,0,0|2,1,0]=4 198 B8R1.7 CC(=O)C1=CC=CN1 Z56899162 [0,1,0,0,0,0|1,1,1]=4 199 B8R1.7 CC(=O)C1=CC=CS1 Z57127896 [0,1,0,0,0,0|0,2,1]=4 200 B8R1.7 CC(=O)C1=CN=CO1 Z1255430875 [0,1,0,0,0,0|1,1,1]=4 201 B8R1.7 CC(=O)C1=NC=CO1 Z1198173545 [0,1,0,0,0,0|1,1,1]=4 202 B8R1.7 CC(C)C1=CC=CS1 Z1198727220 [0,1,0,0,0,0|1,1,0]=3 203 B8R1.7 CC(C)C1=NC=CN1 Z335243296 [0,1,0,0,0,0|3,0,0]=4 204 B8R1.7 CC(C)C1=NNC=C1 Z815437700 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.7 CC(C)N1C=CC=N1 Z802540402 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.7 CC(N)C1=CC=CN1 Z1198171808 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.7 CC(N)C1=CC=CO1 Z89283368 [0,1,0,0,0,0|1,0,0]=2 208 B8R1.7 CC(N)C1=CC=CS1 Z119974474 [0,1,0,0,0,0|1,1,0]=3 209 B8R1.7 CC(N)C1=CC=NN1 Z362020428 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.7 CC(N)C1=CC=NS1 Z2687575410 [0,1,0,0,0,0|2,1,0]=4 211 B8R1.7 CC(N)C1=CNC=N1 Z1198180341 [0,1,0,0,0,0|3,0,0]=4 212 B8R1.7 CC(N)C1=COC=C1 Z1436472920 [0,1,0,0,0,0|3,0,0]=4 213 B8R1.7 CC(N)C1=COC=N1 Z3629373018 [0,1,0,0,0,0|3,0,0]=4 214 B8R1.7 CC(N)C1=CSC=C1 Z513796194 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.7 CC(N)C1=NC=CO1 Z1962224571 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.7 CC(N)C1=NC=CS1 Z803082278 [0,1,0,0,0,0|2,1,0]=4 217 B8R1.7 CC(O)C1=CC=CS1 Z335245078 [0,1,0,0,0,0|0,2,0]=3 218 B8R1.7 CC(O)C1=CNC=N1 Z1198180340 [0,1,0,0,0,0|2,1,0]=4 219 B8R1.7 CC(O)C1=NC=CN1 Z4326395573 [0,1,0,0,0,0|2,1,0]=4 220 B8R1.7 CC(O)C1=NC=CS1 Z1069884516 [0,1,0,0,0,0|1,2,0]=4 221 B8R1.7 CC(O)C1=NNC=C1 Z655071084 [0,1,0,0,0,0|2,1,0]=4 222 B8R1.7 C[C@@H](N)C1=NC=CN1 Z2472857467 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.7 C[C@@H](O)C1=CN=CS1 Z1217177234 [0,1,0,0,0,0|1,2,0]=4 224 B8R1.7 C[C@H](N)C1=CC=CO1 Z1407007556 [0,1,0,0,0,0|1,0,0]=2 225 B8R1.7 C[C@H](N)C1=NC=CN1 Z2205958486 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.7 FC(F)N1C=CC=N1 Z339274954 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.7 N=C(N)C1=CC=CN1 Z4929337487 [0,1,0,0,0,0|2,0,1]=4 228 B8R1.7 N=C(N)C1=CC=CO1 Z823287458 [0,1,0,0,0,0|1,0,1]=3 229 B8R1.7 N=C(N)C1=CC=CS1 Z381357622 [0,1,0,0,0,0|1,1,1]=4 230 B8R1.7 NC(=O)C1=CC=CN1 Z135897752 [0,1,0,0,0,0|1,1,1]=4 231 B8R1.7 NC(=O)C1=CC=CO1 Z33546471 [0,1,0,0,0,0|0,1,1]=3 232 B8R1.7 NC(=O)C1=CC=CS1 Z33546758 [0,1,0,0,0,0|0,2,1]=4 233 B8R1.7 NC(=O)C1=CN=CO1 Z1198164353 [0,1,0,0,0,0|1,1,1]=4 234 B8R1.7 NC(=S)C1=CC=CO1 Z235345623 [0,1,0,0,0,0|0,0,2]=3 235 B8R1.7 NC(=S)C1=CC=CS1 Z56951809 [0,1,0,0,0,0|0,1,2]=4 236 B8R1.7 O=C(Cl)C1=CC=CS1 Z168827498 [0,1,0,0,0,0|0,2,1]=4 237 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,1,0,0,0,0|1,1,1]=4 238 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,1,0,0,0,0|0,1,1]=3 239 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,1,0,0,0,0|1,1,1]=4 240 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,1,0,0,0,0|1,1,1]=4 241 B8R1.7 O=C([O-])C1=NC=CO1 Z2689946948 [0,1,0,0,0,0|1,1,1]=4 242 B8R1.7 O=S([O-])C1=CC=CS1 Z1398461604 [0,1,0,0,0,0|1,2,0]=4 243 B8R1.7 OB(O)C1=CC=CS1 Z330828022 [0,1,0,0,0,0|1,2,0]=4 244 B8R1.8 C#CCN1C=CC=C1 Z440631944 [0,1,0,0,0,0|3,0,0]=4 245 B8R1.8 C#CCN1C=CC=N1 Z804946014 [0,1,0,0,0,0|3,0,0]=4 246 B8R1.8 CCCC1=NC=CN1 Z1201043633 [0,1,0,0,0,0|3,0,0]=4 247 B8R1.8 CCNC1=NC=CN1 Z1463350447 [0,1,0,0,0,0|3,0,0]=4 248 B8R1.8 CCNC1=NC=CS1 Z86243266 [0,1,0,0,0,0|2,1,0]=4 249 B8R1.8 CCNC1=NN=CO1 Z1823617731 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.8 CCOC1=NNC=C1 Z1416187675 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.8 CNCC1=CC=CN1 Z102767010 [0,1,0,0,0,0|2,0,0]=3 252 B8R1.8 CNCC1=CC=CO1 Z57051072 [0,1,0,0,0,0|1,0,0]=2 253 B8R1.8 CNCC1=CC=CS1 Z56948283 [0,1,0,0,0,0|1,1,0]=3 254 B8R1.8 CNCC1=COC=C1 Z385447092 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.8 CNCC1=CSC=C1 Z57206125 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.8 CNCC1=CSC=N1 Z138108610 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.8 CNCC1=NC=CN1 Z445210554 [0,1,0,0,0,0|3,0,0]=4 258 B8R1.8 CNCC1=NC=CO1 Z5810628036 [0,1,0,0,0,0|2,0,0]=3 259 B8R1.8 CNCC1=NC=CS1 Z802607826 [0,1,0,0,0,0|2,1,0]=4 260 B8R1.8 CNCC1=NNC=C1 Z445185804 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.8 CNCC1=NOC=C1 Z802903302 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.8 COCC1=CNC=N1 Z1203733599 [0,1,0,0,0,0|2,1,0]=4 263 B8R1.8 COCC1=NC=CN1 Z1203733422 [0,1,0,0,0,0|2,1,0]=4 264 B8R1.8 COCC1=NNC=C1 Z1270114780 [0,1,0,0,0,0|2,1,0]=4 265 B8R1.8 N#CCC1=CC=CN1 Z810507734 [0,1,0,0,0,0|2,0,0]=3 266 B8R1.8 N#CCC1=CC=NO1 Z90662868 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.8 N#CCC1=CN=CN1 Z1198166128 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.8 N#CCC1=CSC=C1 Z111869576 [0,1,0,0,0,0|3,0,0]=4 269 B8R1.8 N#CCC1=CSC=N1 Z164707272 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.8 N#CCC1=NC=CN1 Z331689878 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.8 N#CCC1=NOC=C1 Z1192378401 [0,1,0,0,0,0|3,0,0]=4 272 B8R1.8 N#CCN1C=CC=N1 Z295205174 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.8 NCCC1=CC=CN1 Z810507730 [0,1,0,0,0,0|2,0,0]=3 274 B8R1.8 NCCC1=CC=CO1 Z1694636467 [0,1,0,0,0,0|1,0,0]=2 275 B8R1.8 NCCC1=CC=CS1 Z90662945 [0,1,0,0,0,0|1,1,0]=3 276 B8R1.8 NCCC1=CC=NS1 Z2768432862 [0,1,0,0,0,0|2,1,0]=4 277 B8R1.8 NCCC1=CNC=N1 Z1267773750 [0,1,0,0,0,0|3,0,0]=4 278 B8R1.8 NCCC1=COC=C1 Z2310701825 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.8 NCCC1=NC=CO1 Z4925106850 [0,1,0,0,0,0|2,0,0]=3 280 B8R1.8 NCCC1=NC=CS1 Z2724334997 [0,1,0,0,0,0|2,1,0]=4 281 B8R1.8 NCCC1=NNC=C1 Z2867120994 [0,1,0,0,0,0|3,0,0]=4 282 B8R1.8 NCCN1C=CC=N1 Z271005714 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.8 O/N=C/C1=CC=CS1 Z49568302 [0,1,0,0,0,0|0,2,1]=4 284 B8R1.8 O=CCC1=CC=CO1 Z1179944709 [0,1,0,0,0,0|0,1,0]=2 285 B8R1.8 O=CCC1=CC=CS1 Z993017816 [0,1,0,0,0,0|0,2,0]=3 286 B8R1.8 O=CCC1=CSC=C1 Z1079442684 [0,1,0,0,0,0|2,1,0]=4 287 B8R1.8 OCCC1=CC=CO1 Z1179944660 [0,1,0,0,0,0|0,1,0]=2 288 B8R1.8 OCCC1=CC=CS1 Z397587354 [0,1,0,0,0,0|0,2,0]=3 289 B8R1.8 OCCC1=CN=CS1 Z1198334159 [0,1,0,0,0,0|1,2,0]=4 290 B8R1.8 OCCC1=COC=C1 Z1179944659 [0,1,0,0,0,0|2,1,0]=4 291 B8R1.8 OCCC1=CSC=C1 Z397587098 [0,1,0,0,0,0|2,1,0]=4 292 B8R1.8 OCCC1=CSC=N1 Z1263714384 [0,1,0,0,0,0|2,1,0]=4 293 B8R1.8 OCCN1C=CC=N1 Z425794824 [0,1,0,0,0,0|2,1,0]=4 294 B8R1.11 CC1=C(C=CO1)CN Z803145352 [0,1,0,0,0,0|3,0,0]=4 295 B8R1.11 CC1=C(C=CO1)CO Z397587324 [0,1,0,0,0,0|2,1,0]=4 296 B8R1.11 CC1=C(C=CS1)CN Z3034293414 [0,1,0,0,0,0|3,0,0]=4 297 B8R1.11 CC1=C(N=CN1)CN Z1318147471 [0,1,0,0,0,0|3,0,0]=4 298 B8R1.11 CC1=C(N=CN1)CO Z173808378 [0,1,0,0,0,0|2,1,0]=4 299 B8R1.11 CC1=C(N=CS1)CN Z317098554 [0,1,0,0,0,0|3,0,0]=4 300 B8R1.11 CC1=C(N=CS1)CO Z1198176703 [0,1,0,0,0,0|2,1,0]=4 301 B8R1.11 CC1=C(NN=C1)CN Z2865543087 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.11 CC1=C(OC=C1)C=O Z1079442566 [0,1,0,0,0,0|0,1,1]=3 303 B8R1.11 CC1=C(OC=C1)CN Z291234200 [0,1,0,0,0,0|1,0,0]=2 304 B8R1.11 CC1=C(OC=N1)C#N Z1255488418 [0,1,0,0,0,0|2,0,1]=4 305 B8R1.11 CC1=C(OC=N1)C=O Z1198279990 [0,1,0,0,0,0|1,1,1]=4 306 B8R1.11 CC1=C(OC=N1)CN Z2939254026 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.11 CC1=C(OC=N1)CO Z1198166472 [0,1,0,0,0,0|1,1,0]=3 308 B8R1.11 CC1=C(ON=C1)C=O Z1198279978 [0,1,0,0,0,0|1,1,1]=4 309 B8R1.11 CC1=C(SC=C1)C#N Z381355194 [0,1,0,0,0,0|1,1,1]=4 310 B8R1.11 CC1=C(SC=C1)C=O Z104477012 [0,1,0,0,0,0|0,2,1]=4 311 B8R1.11 CC1=C(SC=C1)CN Z235352157 [0,1,0,0,0,0|1,1,0]=3 312 B8R1.11 CC1=C(SC=N1)CN Z291234254 [0,1,0,0,0,0|2,1,0]=4 313 B8R1.11 CC1=C(SC=N1)CO Z397587526 [0,1,0,0,0,0|1,2,0]=4 314 B8R1.11 CC1=CNN=C1CO Z1898597737 [0,1,0,0,0,0|2,1,0]=4 315 B8R1.11 CC1=COC=C1CN Z5616265876 [0,1,0,0,0,0|3,0,0]=4 316 B8R1.11 CC1=CSC=C1CN Z1345189827 [0,1,0,0,0,0|3,0,0]=4 317 B8R1.11 CCC1=CSC=C1N Z4935394961 [0,1,0,0,0,0|3,0,0]=4 318 B8R1.11 CCC1=NSC=C1N Z5711193458 [0,1,0,0,0,0|3,0,0]=4 319 B8R1.11 CCN1N=CC=C1N Z56347291 [0,1,0,0,0,0|3,0,0]=4 320 B8R1.11 CN1C=CC=C1C#N Z56766658 [0,1,0,0,0,0|2,0,1]=4 321 B8R1.11 CN1C=CC=C1C=O Z104485562 [0,1,0,0,0,0|1,1,1]=4 322 B8R1.11 CN1C=CC=C1CN Z362827744 [0,1,0,0,0,0|2,0,0]=3 323 B8R1.11 CN1C=CN=C1CCl Z90122361 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.11 CN1C=CN=C1CN Z235536854 [0,1,0,0,0,0|3,0,0]=4 325 B8R1.11 CN1C=CN=C1CO Z212169576 [0,1,0,0,0,0|2,1,0]=4 326 B8R1.11 CN1C=NC=C1CN Z1198266141 [0,1,0,0,0,0|3,0,0]=4 327 B8R1.11 CN1C=NC=C1CO Z1115775402 [0,1,0,0,0,0|2,1,0]=4 328 B8R1.11 CN1N=CC=C1CN Z316122740 [0,1,0,0,0,0|3,0,0]=4 329 B8R1.11 CN1N=CC=C1CO Z501748978 [0,1,0,0,0,0|2,1,0]=4 330 B8R1.11 NCC1=C(C=CS1)Cl Z3244521023 [0,1,0,0,0,0|1,1,0]=3 331 B8R1.11 NCC1=C(C=NN1)Br Z1263824426 [0,1,0,0,0,0|3,0,0]=4 332 B8R1.11 NCC1=C(SC=C1)Cl Z4459561724 [0,1,0,0,0,0|3,0,0]=4 333 B8R1.11 NCC1=C(SC=C1)I Z4912253513 [0,1,0,0,0,0|3,0,0]=4 334 B8R1.11 O=CC1=C(C=CN1)Br Z1255436029 [0,1,0,0,0,0|1,1,1]=4 335 B8R1.11 O=CC1=C(C=CO1)Br Z1183458973 [0,1,0,0,0,0|0,1,1]=3 336 B8R1.11 O=CC1=C(C=CO1)F Z1416198484 [0,1,0,0,0,0|0,1,1]=3 337 B8R1.11 O=CC1=C(C=CS1)Br Z1157754111 [0,1,0,0,0,0|0,2,1]=4 338 B8R1.11 O=CC1=C(C=CS1)Cl Z1198158625 [0,1,0,0,0,0|0,2,1]=4 339 B8R1.11 O=CC1=C(C=CS1)I Z1269213460 [0,1,0,0,0,0|0,2,1]=4 340 B6R0.1 C=CCC(O)CC Z808662120 [0,0,1,0,0,0|1,0,2]=4 341 B6R0.6 C=C/C=C/CCN Z2786180930 [0,0,1,0,0,0|2,0,1]=4 342 B6R0.6 C=CCOCCN Z976678988 [0,0,1,0,0,0|1,0,2]=4 343 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [0,0,0,0,0,1|2,0,1]=4 344 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [0,0,0,0,0,1|2,0,1]=4 345 B8R1.2 CCC1=CC=CC=C1 Z104473632 [0,0,0,0,0,1|2,0,0]=3 346 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [0,0,0,0,0,1|2,0,0]=3 347 B8R1.2 CCC1=CN=CC=C1 Z104476778 [0,0,0,0,0,1|2,0,0]=3 348 B8R1.2 CCC1=NC=CC=C1 Z113558650 [0,0,0,0,0,1|2,0,0]=3 349 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [0,0,0,0,0,1|2,0,0]=3 350 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [0,0,0,0,0,1|2,0,0]=3 351 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [0,0,0,0,0,1|2,0,0]=3 352 B8R1.2 CNC1=CC=CC=C1 Z104472478 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.2 CNC1=NC=CC=N1 Z54628578 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.2 CNC1=NC=NC=C1 Z800212728 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.2 CNC1=NN=CC=C1 Z991530894 [0,0,0,0,0,1|3,0,0]=4 357 B8R1.2 COC1=CC=CC=C1 Z53833865 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [0,0,0,0,0,1|3,0,0]=4 359 B8R1.2 CSC1=NC=CN=C1 Z1203162104 [0,0,0,0,0,1|3,0,0]=4 360 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [0,0,0,0,0,1|2,0,1]=4 362 B8R1.2 N#CC1=CC=NC=C1 Z57899720 [0,0,0,0,0,1|2,0,1]=4 363 B8R1.2 N#CC1=CN=CC=C1 Z57899719 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.2 N#CC1=NC=CC=N1 Z441820390 [0,0,0,0,0,1|2,0,1]=4 365 B8R1.2 N#CC1=NC=CN=C1 Z448103898 [0,0,0,0,0,1|2,0,1]=4 366 B8R1.2 N#CC1=NC=NC=C1 Z1116387809 [0,0,0,0,0,1|2,0,1]=4 367 B8R1.2 N#CC1=NN=CC=C1 Z1198236174 [0,0,0,0,0,1|2,0,1]=4 368 B8R1.2 NCC1=CC=CC=C1 Z54748260 [0,0,0,0,0,1|2,0,0]=3 369 B8R1.2 NCC1=CC=NC=C1 Z104474354 [0,0,0,0,0,1|2,0,0]=3 370 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,0,0,0,0,1|1,0,2]=4 371 B8R1.2 NCC1=CN=CC=C1 Z104474366 [0,0,0,0,0,1|2,0,0]=3 372 B8R1.2 NCC1=CN=CN=C1 Z3244401628 [0,0,0,0,0,1|3,0,0]=4 373 B8R1.2 NCC1=COCCO1 Z425641798 [0,0,0,0,0,1|1,0,2]=4 374 B8R1.2 NCC1=NC=CC=C1 Z104474352 [0,0,0,0,0,1|2,0,0]=3 375 B8R1.2 NCC1=NC=CC=N1 Z1463350843 [0,0,0,0,0,1|2,0,0]=3 376 B8R1.2 NCC1=NC=CN=C1 Z241059702 [0,0,0,0,0,1|2,0,0]=3 377 B8R1.2 NCC1=NC=NC=C1 Z254526552 [0,0,0,0,0,1|2,0,0]=3 378 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [0,0,0,0,0,1|2,0,0]=3 379 B8R1.2 NNC1=CC=CC=C1 Z104472442 [0,0,0,0,0,1|3,0,0]=4 380 B8R1.2 NNC1=NC=CC=C1 Z56887722 [0,0,0,0,0,1|3,0,0]=4 381 B8R1.2 O=CC1=CC=NC=C1 Z57161993 [0,0,0,0,0,1|1,1,1]=4 382 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [0,0,0,0,0,1|1,1,1]=4 383 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [0,0,0,0,0,1|1,1,1]=4 384 B8R1.2 O=CC1=NC=CN=C1 Z1013412214 [0,0,0,0,0,1|1,1,1]=4 385 B8R1.2 O=CC1=NN=CC=C1 Z1198165301 [0,0,0,0,0,1|1,1,1]=4 386 B8R1.2 OCC1=CC=CC=C1 Z104476418 [0,0,0,0,0,1|1,1,0]=3 387 B8R1.2 OCC1=CC=NC=C1 Z335244866 [0,0,0,0,0,1|1,1,0]=3 388 B8R1.2 OCC1=CN=CC=C1 Z104495622 [0,0,0,0,0,1|1,1,0]=3 389 B8R1.2 OCC1=COCCO1 Z1101443027 [0,0,0,0,0,1|0,1,2]=4 390 B8R1.2 OCC1=NC=CC=C1 Z57921252 [0,0,0,0,0,1|1,1,0]=3 391 B5R0.1 C/C=C/C(=O)O Z104476026 [1,0,1,0,0,0|0,1,1]=4 392 B5R0.1 O=C(O)/C=C/I Z2327124440 [1,0,1,0,0,0|1,1,0]=4 393 B5R0.2 C/C=C/OCC Z281777810 [1,0,1,0,0,0|0,0,2]=4 394 B5R0.2 C=C/C=C/CN Z3270208113 [1,0,1,0,0,0|1,0,0]=3 395 B5R0.2 OC/C=C/CO Z237581088 [1,0,1,0,0,0|0,1,1]=4 396 B5R1.1 C1=CNC=C1 Z104479036 [2,0,0,0,0,0|1,0,0]=3 397 B5R1.1 C1=CNC=N1 Z104472692 [2,0,0,0,0,0|2,0,0]=4 398 B5R1.1 C1=CNN=C1 Z104507728 [2,0,0,0,0,0|2,0,0]=4 399 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [0,1,1,0,0,0|1,0,1]=4 400 B7R0.4 CCC/C=C/C(=O)O Z104506794 [0,1,1,0,0,0|1,0,1]=4 401 B7R1.2 BrC1=CSC(=C1)Br Z1245646694 [1,1,0,0,0,0|1,1,0]=4 402 B7R1.2 CC1=CC(=NN1)C Z50145988 [1,1,0,0,0,0|2,0,0]=4 403 B7R1.2 CC1=CC(=NO1)N Z104503828 [1,1,0,0,0,0|1,0,0]=3 404 B7R1.2 CC1=CC(=NS1)N Z1198165856 [1,1,0,0,0,0|1,1,0]=4 405 B7R1.2 CC1=CC(=O)NO1 Z56761467 [1,1,0,0,0,0|1,0,0]=3 406 B7R1.2 CC1=CC=C(S1)Br Z1255383262 [1,1,0,0,0,0|0,1,0]=3 407 B7R1.2 CC1=CN=C(N1)O Z2630875693 [1,1,0,0,0,0|2,0,0]=4 408 B7R1.2 CC1=CN=C(O1)N Z994267654 [1,1,0,0,0,0|1,0,0]=3 409 B7R1.2 CC1=CN=C(S1)N Z104500072 [1,1,0,0,0,0|1,1,0]=4 410 B7R1.2 CC1=CNC(=N1)C Z217301646 [1,1,0,0,0,0|2,0,0]=4 411 B7R1.2 CC1=CNC(=N1)N Z2515238565 [1,1,0,0,0,0|2,0,0]=4 412 B7R1.2 CC1=CNC(=N1)S Z1198163268 [1,1,0,0,0,0|2,0,0]=4 413 B7R1.2 CC1=COC(=N1)S Z1416179155 [1,1,0,0,0,0|1,0,0]=3 414 B7R1.2 CC1=CSC(=N1)N Z48847548 [1,1,0,0,0,0|2,0,0]=4 415 B7R1.2 CC1=CSC(=N1)S Z203045926 [1,1,0,0,0,0|1,1,0]=4 416 B7R1.2 CC1=CSC(=O)N1 Z57055803 [1,1,0,0,0,0|2,0,0]=4 417 B7R1.2 CC1=NC(=NO1)N Z1147462977 [1,1,0,0,0,0|2,0,0]=4 418 B7R1.2 CC1=NC=C(S1)N Z951517342 [1,1,0,0,0,0|1,1,0]=4 419 B7R1.2 CC1=NN=C(O1)N Z56957510 [1,1,0,0,0,0|2,0,0]=4 420 B7R1.2 CC1=NN=C(O1)S Z55879328 [1,1,0,0,0,0|2,0,0]=4 421 B7R1.2 CC1=NNC(=C1)N Z55423088 [1,1,0,0,0,0|2,0,0]=4 422 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [1,1,0,0,0,0|2,0,0]=4 423 B7R1.2 CC1=NOC(=C1)N Z118429566 [1,1,0,0,0,0|2,0,0]=4 424 B7R1.2 CC1=NOC(=N1)S Z1033258624 [1,1,0,0,0,0|2,0,0]=4 425 B7R1.2 CC1=NSC(=C1)N Z204042038 [1,1,0,0,0,0|2,0,0]=4 426 B7R1.2 CN1C=C(C=N1)Br Z337709426 [1,1,0,0,0,0|2,0,0]=4 427 B7R1.2 CN1C=C(C=N1)I Z957334240 [1,1,0,0,0,0|2,0,0]=4 428 B7R1.2 CN1C=C(C=N1)N Z1741968059 [1,1,0,0,0,0|2,0,0]=4 429 B7R1.2 CN1C=C(C=N1)O Z1258763763 [1,1,0,0,0,0|2,0,0]=4 430 B7R1.2 CN1C=CC(=N1)O Z1343577415 [1,1,0,0,0,0|2,0,0]=4 431 B7R1.2 ClC1=CC=C(S1)Br Z1203161749 [1,1,0,0,0,0|1,1,0]=4 432 B7R1.2 O=C1C=CC(=O)C1 Z1083219844 [1,1,0,0,0,0|1,1,0]=4 433 B7R1.2 O=C1C=CC(=O)N1 Z223655288 [1,1,0,0,0,0|1,1,0]=4 434 B7R1.4 CC1=C(C=CS1)Br Z1201624904 [1,1,0,0,0,0|0,1,0]=3 435 B7R1.4 CC1=C(C=NN1)Cl Z1507502582 [1,1,0,0,0,0|2,0,0]=4 436 B7R1.4 CC1=C(C=NO1)I Z1269175158 [1,1,0,0,0,0|1,0,0]=3 437 B7R1.4 CC1=C(C=NO1)N Z1465461252 [1,1,0,0,0,0|1,0,0]=3 438 B7R1.4 CC1=C(ON=C1)N Z815305382 [1,1,0,0,0,0|2,0,0]=4 439 B7R1.4 CC1=C(SC=N1)N Z1815155510 [1,1,0,0,0,0|2,0,0]=4 440 B7R1.4 CC1=CC=NN1C Z826535916 [1,1,0,0,0,0|2,0,0]=4 441 B7R1.4 CC1=CNC=C1C Z1198162792 [1,1,0,0,0,0|2,0,0]=4 442 B7R1.4 CC1=CSC=C1N Z1492796718 [1,1,0,0,0,0|2,0,0]=4 443 B7R1.4 CC1=NNC=C1N Z600615694 [1,1,0,0,0,0|2,0,0]=4 444 B7R1.4 CC1=NOC=C1N Z2466617876 [1,1,0,0,0,0|2,0,0]=4 445 B7R1.4 CC1=NSC=C1N Z2737427927 [1,1,0,0,0,0|2,0,0]=4 446 B7R1.4 CN1C=CN=C1S Z57901905 [1,1,0,0,0,0|2,0,0]=4 447 B7R1.4 CN1C=COC1=O Z2732441923 [1,1,0,0,0,0|1,1,0]=4 448 B7R1.4 CN1N=CC=C1N Z415654476 [1,1,0,0,0,0|2,0,0]=4 449 B7R1.4 CN1SC=CC1=O Z3227502095 [1,1,0,0,0,0|1,1,0]=4 450 B9R1.1 BrCC1=NC=C(N=C1)Br Z3244822385 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.1 CC1=CN=C(C=C1)CO Z1198270889 [0,1,0,0,0,1|1,1,0]=4 452 B9R1.1 CC1=CN=C(N=C1)CN Z2327893645 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.1 CC1=CN=C(N=C1)CO Z1198277216 [0,1,0,0,0,1|1,1,0]=4 454 B9R1.1 CC1=NC=C(C=C1)CN Z444349734 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.1 CC1=NC=C(C=C1)CO Z397587474 [0,1,0,0,0,1|1,1,0]=4 456 B9R1.1 CC1=NC=C(N=C1)CN Z3271770568 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.1 CC1=NC=C(N=C1)CO Z397587476 [0,1,0,0,0,1|1,1,0]=4 458 B9R1.1 CCC1=CC=C(C=C1)I Z381540768 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.1 CCC1=CC=C(C=C1)N Z104477836 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.1 CCC1=CC=C(C=C1)O Z104479728 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.1 CCC1=CN=C(C=C1)N Z1198224278 [0,1,0,0,0,1|2,0,0]=4 462 B9R1.1 CCC1=NC=C(C=N1)N Z381402598 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.1 CCC1=NC=C(N=C1)Br Z1198319305 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.1 ClCC1=NC=C(N=C1)Cl Z1198277950 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.1 ClCC1=NN=C(C=C1)Cl Z2738352569 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.1 FC1=CC=C(C=C1)CBr Z89269613 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.1 NC1=NC=C(C=C1)CO Z960446254 [0,1,0,0,0,1|1,1,0]=4 468 B9R1.1 NC1=NC=C(N=C1)CO Z1203583050 [0,1,0,0,0,1|1,1,0]=4 469 B9R1.1 NC1=NN=C(C=C1)CO Z2739402763 [0,1,0,0,0,1|1,1,0]=4 470 B9R1.1 NCC1=CC=C(C=C1)F Z54748266 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.1 NCC1=CC=C(C=C1)O Z235348101 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.1 NCC1=CN=C(C=C1)Cl Z247612574 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.1 NCC1=CN=C(C=C1)F Z1198311144 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.1 NCC1=CN=C(C=C1)O Z1269638445 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.1 NCC1=NC=C(C=C1)Br Z3241254216 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.1 NCC1=NC=C(C=C1)Cl Z636367336 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.1 NCC1=NC=C(C=C1)F Z1198277779 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.1 NCC1=NC=C(C=C1)N Z3244746175 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.1 NCC1=NC=C(C=C1)O Z3324887230 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.1 NCC1=NC=C(C=N1)Br Z2901974002 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.1 NCC1=NC=C(C=N1)Cl Z3243815124 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.1 NCC1=NC=C(N=C1)Br Z1416181963 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.1 NCC1=NC=C(N=C1)Cl Z1198278893 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.1 NCC1=NN=C(C=C1)Cl Z3976570544 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.1 NCC1=NNC(=O)C=C1 Z2230911335 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.1 OCC1=CC=C(C=C1)Br Z335244742 [0,1,0,0,0,1|1,1,0]=4 487 B9R1.1 OCC1=CC=C(C=C1)Cl Z104478032 [0,1,0,0,0,1|1,1,0]=4 488 B9R1.1 OCC1=CC=C(C=C1)F Z104477460 [0,1,0,0,0,1|1,1,0]=4 489 B9R1.1 OCC1=CC=C(C=C1)I Z385370342 [0,1,0,0,0,1|1,1,0]=4 490 B9R1.1 OCC1=NC=C(C=C1)Br Z1065600752 [0,1,0,0,0,1|1,1,0]=4 491 B9R1.1 OCC1=NC=C(C=C1)Cl Z1198272591 [0,1,0,0,0,1|1,1,0]=4 492 B9R1.1 OCC1=NC=C(C=C1)O Z1217915045 [0,1,0,0,0,1|1,1,0]=4 493 B9R1.1 OCC1=NC=C(C=N1)I Z4624804538 [0,1,0,0,0,1|1,1,0]=4 494 B9R1.1 OCC1=NC=C(N=C1)Br Z1255381074 [0,1,0,0,0,1|1,1,0]=4 495 B9R1.1 OCC1=NN=C(C=C1)Cl Z2418413578 [0,1,0,0,0,1|1,1,0]=4 496 B9R1.1 SCC1=CC=C(C=C1)Cl Z55948216 [0,1,0,0,0,1|1,0,0]=3 497 B9R1.2 CC1=CC(=CN=C1)CN Z1198167984 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.2 CC1=CC(=CN=C1)CO Z4562296729 [0,1,0,0,0,1|1,1,0]=4 499 B9R1.2 CC1=NC(=CC=C1)CN Z291234028 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.2 CC1=NC(=CC=C1)CO Z397587486 [0,1,0,0,0,1|1,1,0]=4 501 B9R1.2 CC1=NC(=CC=N1)CO Z1013685034 [0,1,0,0,0,1|1,1,0]=4 502 B9R1.2 CC1=NC(=NC=C1)CN Z2372278985 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.2 CC1=NC=CC(=C1)CO Z1198175905 [0,1,0,0,0,1|1,1,0]=4 504 B9R1.2 CCC1=CC(=CC=C1)Br Z1201619408 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.2 CCC1=CC(=CC=C1)N Z104478688 [0,1,0,0,0,1|2,0,0]=4 506 B9R1.2 CCC1=NC(=CC=C1)C Z1255485781 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.2 CCC1=NC(=CC=N1)Cl Z445153086 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.2 CCC1=NC(=NC=C1)Cl Z1198279743 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.2 CCC1=NC(=NC=C1)N Z1203579436 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.2 CCC1=NC=NC(=C1)Br Z798339806 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.2 CCC1=NC=NC(=C1)Cl Z798251108 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.2 CCC1=NC=NC(=C1)N Z798339040 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.2 CCC1=NC=NC(=C1)O Z798251110 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.2 ClCC1=CC(=CN=C1)Br Z381037204 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.2 ClCC1=NC(=CC=N1)Cl Z1198277284 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.2 ClCC1=NC(=CN=C1)Cl Z1255357868 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.2 ClCC1=NC(=NC=C1)Cl Z1198277208 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.2 ClCC1=NC=NC(=C1)Cl Z1198277210 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.2 FCC1=NC(=NC=C1)Cl Z2732456261 [0,1,0,0,0,1|2,0,0]=4 520 B9R1.2 NC1=CC(=NC=C1)CO Z1198310848 [0,1,0,0,0,1|1,1,0]=4 521 B9R1.2 NC1=NC(=CC=C1)CO Z154209994 [0,1,0,0,0,1|1,1,0]=4 522 B9R1.2 NC1=NC(=CN=C1)CO Z1203641562 [0,1,0,0,0,1|1,1,0]=4 523 B9R1.2 NC1=NC=CC(=C1)CO Z991492364 [0,1,0,0,0,1|1,1,0]=4 524 B9R1.2 NC1=NC=NC(=C1)CO Z1203652668 [0,1,0,0,0,1|1,1,0]=4 525 B9R1.2 NCC1=CC(=CC=C1)Br Z1262246228 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.2 NCC1=CC(=CC=C1)I Z1269220799 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.2 NCC1=CC(=CC=C1)O Z744729056 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.2 NCC1=CC(=CN=C1)Br Z2692250391 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.2 NCC1=CC(=CN=C1)Cl Z3244925674 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.2 NCC1=CC(=CN=C1)O Z2310701794 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.2 NCC1=NC(=CC=C1)N Z2310698959 [0,1,0,0,0,1|2,0,0]=4 532 B9R1.2 NCC1=NC(=CC=N1)Cl Z3244401673 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.2 NCC1=NC(=CC=N1)N Z1431904697 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.2 NCC1=NC(=CN=C1)Cl Z3235038825 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.2 NCC1=NC(=NC=C1)Cl Z2768204537 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.2 NCC1=NC(=NC=C1)N Z235362841 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.2 NCC1=NC=CC(=C1)Cl Z1198173013 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.2 NCC1=NC=CC(=C1)N Z2310678270 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.2 NCC1=NC=NC(=C1)O Z2511806596 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.2 O=C1C=C(C=CN1)CO Z1203733303 [0,1,0,0,0,1|1,1,0]=4 541 B9R1.2 OC1=CC(=CC=C1)CCl Z1198169502 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.2 OCC1=CC(=CC=C1)Br Z335244752 [0,1,0,0,0,1|1,1,0]=4 543 B9R1.2 OCC1=CC(=CC=C1)Cl Z212055560 [0,1,0,0,0,1|1,1,0]=4 544 B9R1.2 OCC1=CC(=CC=C1)F Z104477458 [0,1,0,0,0,1|1,1,0]=4 545 B9R1.2 OCC1=CC(=CC=C1)O Z335245000 [0,1,0,0,0,1|1,1,0]=4 546 B9R1.2 OCC1=CC(=CN=C1)Br Z381037198 [0,1,0,0,0,1|1,1,0]=4 547 B9R1.2 OCC1=CC(=NC=C1)Cl Z979439344 [0,1,0,0,0,1|1,1,0]=4 548 B9R1.2 OCC1=NC(=CC=C1)O Z1198343459 [0,1,0,0,0,1|1,1,0]=4 549 B9R1.2 OCC1=NC(=CC=N1)Br Z1255418398 [0,1,0,0,0,1|1,1,0]=4 550 B9R1.2 OCC1=NC(=CC=N1)Cl Z1198330108 [0,1,0,0,0,1|1,1,0]=4 551 B9R1.2 OCC1=NC(=NC=C1)Cl Z1216818044 [0,1,0,0,0,1|1,1,0]=4 552 B9R1.2 OCC1=NC=CC(=C1)Cl Z979714554 [0,1,0,0,0,1|1,1,0]=4 553 B9R1.6 CC(C)C1=NC=CC=C1 Z1198148831 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.6 CC(N)C1=CC=CC=C1 Z57102377 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.6 CC(N)C1=CN=CC=C1 Z85921957 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.6 CC(N)C1=NC=CC=C1 Z56347059 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.6 CC(N)C1=NC=CC=N1 Z2945456281 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.6 CC(O)C1=CC=CC=C1 Z104494956 [0,1,0,0,0,1|1,1,0]=4 559 B9R1.6 CC(O)C1=CC=NC=C1 Z335245082 [0,1,0,0,0,1|1,1,0]=4 560 B9R1.6 CC(O)C1=CN=CC=C1 Z335245084 [0,1,0,0,0,1|1,1,0]=4 561 B9R1.6 CC(O)C1=NC=CC=C1 Z335244914 [0,1,0,0,0,1|1,1,0]=4 562 B9R1.6 CC(O)C1=NC=CN=C1 Z513751834 [0,1,0,0,0,1|1,1,0]=4 563 B9R1.6 C[C@@H](N)C1=CC=CC=C1 Z1079183182 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.6 C[C@@H](N)C1=CC=NC=C1 Z1197994836 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.6 C[C@@H](O)C1=CC=CC=C1 Z360055166 [0,1,0,0,0,1|1,1,0]=4 566 B9R1.6 C[C@H](N)C1=CC=CC=C1 Z1079131570 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.6 C[C@H](N)C1=CC=NC=C1 Z1492781304 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.6 C[C@H](O)C1=CC=CC=C1 Z360055168 [0,1,0,0,0,1|1,1,0]=4 569 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [0,1,0,0,0,1|2,0,0]=4 573 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.8 CCNC1=NN=CC=C1 Z991530898 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.8 CNCC1=NC=CC=N1 Z2310727788 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.8 CNCC1=NC=NC=C1 Z2871313713 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [0,1,0,0,0,1|1,0,0]=3 583 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.8 N#CCC1=NC=CN=C1 Z1098233793 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.8 N#CCC1=NC=NC=C1 Z1098233919 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [0,1,0,0,0,1|2,0,0]=4 591 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [0,1,0,0,0,1|2,0,0]=4 592 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [0,1,0,0,0,1|2,0,0]=4 593 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [0,1,0,0,0,1|1,1,0]=4 595 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [0,1,0,0,0,1|1,1,0]=4 596 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [0,1,0,0,0,1|1,1,0]=4 597 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [0,1,0,0,0,1|1,1,0]=4 598 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [0,1,0,0,0,1|1,1,0]=4 599 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [0,1,0,0,0,1|1,1,0]=4 600 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [0,1,0,0,0,1|1,1,0]=4 601 B9R1.15 BrCC1=C(C=CC=C1)Br Z56969700 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.15 CC1=C(C=CC=C1)CO Z335244790 [0,1,0,0,0,1|1,1,0]=4 603 B9R1.15 CC1=C(C=CN=C1)CO Z1198163942 [0,1,0,0,0,1|1,1,0]=4 604 B9R1.15 CC1=C(C=NC=C1)CO Z1198156922 [0,1,0,0,0,1|1,1,0]=4 605 B9R1.15 CC1=C(N=CC=C1)CO Z976637084 [0,1,0,0,0,1|1,1,0]=4 606 B9R1.15 CC1=C(N=CC=N1)CN Z3671696702 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.15 CCC1=C(C=CC=C1)Br Z1255457372 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.15 CCC1=C(C=CC=C1)O Z104477226 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.15 CCC1=C(C=NC=C1)N Z1203586904 [0,1,0,0,0,1|2,0,0]=4 610 B9R1.15 CCC1=C(C=NC=N1)O Z1618133826 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.15 CCC1=C(N=CC=C1)N Z1192017773 [0,1,0,0,0,1|2,0,0]=4 612 B9R1.15 CCC1=C(N=CC=C1)O Z1198266674 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.15 CCC1=C(N=CC=N1)Cl Z1198149374 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.15 CCC1=C(N=CC=N1)N Z1203580180 [0,1,0,0,0,1|2,0,0]=4 615 B9R1.15 CCC1=CNC=CC1=N Z1525649973 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.15 CCC1=NC=CNC1=O Z3274889193 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.15 ClCC1=C(N=CC=N1)Cl Z934373154 [0,1,0,0,0,1|2,0,0]=4 618 B9R1.15 NC1=C(C=CC=C1)CO Z104495736 [0,1,0,0,0,1|1,1,0]=4 619 B9R1.15 NC1=C(C=CN=C1)CO Z1201623606 [0,1,0,0,0,1|1,1,0]=4 620 B9R1.15 NC1=C(N=CC=N1)CO Z1198237691 [0,1,0,0,0,1|1,1,0]=4 621 B9R1.15 NCC1=C(C=CC=C1)Cl Z55002587 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.15 NCC1=C(C=CC=C1)I Z2574934431 [0,1,0,0,0,1|2,0,0]=4 623 B9R1.15 NCC1=C(C=CC=C1)O Z993991142 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.15 NCC1=C(C=CC=N1)F Z1575304378 [0,1,0,0,0,1|2,0,0]=4 625 B9R1.15 NCC1=C(C=CC=N1)N Z1198181626 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.15 NCC1=C(C=CC=N1)O Z1198156472 [0,1,0,0,0,1|2,0,0]=4 627 B9R1.15 NCC1=C(C=CN=C1)Cl Z3386909551 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.15 NCC1=C(C=CN=C1)N Z1742055036 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.15 NCC1=C(C=NC=C1)Br Z2731710898 [0,1,0,0,0,1|2,0,0]=4 630 B9R1.15 NCC1=C(N=CC=N1)Cl Z2472857434 [0,1,0,0,0,1|2,0,0]=4 631 B9R1.15 OCC1=C(C=CC=C1)Br Z335245004 [0,1,0,0,0,1|1,1,0]=4 632 B9R1.15 OCC1=C(C=CC=C1)Cl Z104476786 [0,1,0,0,0,1|1,1,0]=4 633 B9R1.15 OCC1=C(C=CC=C1)F Z104495204 [0,1,0,0,0,1|1,1,0]=4 634 B9R1.15 OCC1=C(C=CC=C1)I Z57472670 [0,1,0,0,0,1|1,1,0]=4 635 B9R1.15 OCC1=C(C=CC=C1)O Z335244902 [0,1,0,0,0,1|1,1,0]=4 636 B9R1.15 OCC1=C(C=CN=C1)Cl Z1741982140 [0,1,0,0,0,1|1,1,0]=4 637 B9R1.15 OCC1=C(C=NC=C1)Cl Z1198261848 [0,1,0,0,0,1|1,1,0]=4 638 B9R1.15 OCC1=C(C=NC=C1)F Z1251273325 [0,1,0,0,0,1|1,1,0]=4 639 B9R1.15 OCC1=C(N=CC=C1)Cl Z979431808 [0,1,0,0,0,1|1,1,0]=4 640 B9R1.15 SCC1=C(C=CC=C1)Cl Z55948221 [0,1,0,0,0,1|1,0,0]=3 641 B9R1.7 CC1=CC=C(S1)CC#N Z978942412 [0,2,0,0,0,0|1,1,0]=4 642 B9R1.7 CC1=CC=C(S1)CC=O Z1250885326 [0,2,0,0,0,0|0,2,0]=4 643 B9R1.7 CC1=CC=C(S1)CCN Z3038322398 [0,2,0,0,0,0|1,1,0]=4 644 B9R1.7 CC1=NC=C(O1)CCN Z3251575034 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.7 CC1=NOC(=C1)CCN Z2092369291 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.7 CNCC1=CC(=NO1)C Z3013892391 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.7 CNCC1=CC=C(O1)Br Z102767192 [0,2,0,0,0,0|1,0,0]=3 648 B9R1.7 CNCC1=CC=C(O1)C Z56957484 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.7 CNCC1=CC=C(S1)C Z198747904 [0,2,0,0,0,0|1,1,0]=4 650 B9R1.7 CNCC1=CC=C(S1)Cl Z57057714 [0,2,0,0,0,0|1,1,0]=4 651 B9R1.7 CSCC1=NN(C=C1)C Z1578701131 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.7 CSCC1=NN=C(O1)S Z198750892 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.7 N#CCC1=CC(=CS1)Br Z854082688 [0,2,0,0,0,0|1,1,0]=4 654 B9R1.7 N#CCC1=CC=C(S1)Br Z285575842 [0,2,0,0,0,0|1,1,0]=4 655 B9R1.7 N#CCC1=CC=C(S1)Cl Z228589634 [0,2,0,0,0,0|1,1,0]=4 656 B9R1.7 NCCC1=CC=C(O1)Br Z1442016604 [0,2,0,0,0,0|1,0,0]=3 657 B9R1.7 NCCC1=CC=C(S1)Cl Z432066930 [0,2,0,0,0,0|1,1,0]=4 658 B9R1.7 NCCC1=CC=C(S1)I Z1262398458 [0,2,0,0,0,0|1,1,0]=4 659 B9R1.7 O/N=C/C1=CC=C(O1)Cl Z317081716 [0,2,0,0,0,0|0,1,1]=4 660 B9R1.21 C#CC1=CC=C(O1)C=O Z1255389650 [0,2,0,0,0,0|0,1,1]=4 661 B9R1.21 CCC1=CC(=NO1)C=O Z1255421513 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.21 CCC1=CC=C(N1)C=O Z1251356864 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.21 CCC1=CC=C(N1)CN Z5211093745 [0,2,0,0,0,0|2,0,0]=4 664 B9R1.21 CCC1=CC=C(O1)C=O Z274774406 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.21 CCC1=CC=C(O1)CN Z4604674433 [0,2,0,0,0,0|1,0,0]=3 666 B9R1.21 CCC1=CC=C(S1)C=O Z385369988 [0,2,0,0,0,0|1,1,0]=4 667 B9R1.21 CCC1=CN=C(O1)C=O Z1198173205 [0,2,0,0,0,0|2,0,0]=4 668 B9R1.21 CCC1=CN=C(O1)CN Z2492739332 [0,2,0,0,0,0|2,0,0]=4 669 B9R1.21 CCC1=NOC(=C1)CN Z1198175191 [0,2,0,0,0,0|2,0,0]=4 670 B9R1.21 COC1=CC=C(O1)C=O Z1309664827 [0,2,0,0,0,0|0,1,1]=4 671 B9R1.21 CSC1=CC=C(O1)C=O Z1157748816 [0,2,0,0,0,0|0,1,1]=4 672 B9R1.21 CSC1=CC=C(O1)CN Z3037488469 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.21 CSC1=CC=C(S1)CN Z3033960674 [0,2,0,0,0,0|1,1,0]=4 674 B9R1.21 N#CC1=CC=C(O1)C=O Z1198176687 [0,2,0,0,0,0|0,1,1]=4 675 B9R1.21 N#CC1=CC=C(O1)CN Z1198169445 [0,2,0,0,0,0|1,0,0]=3 676 B9R1.21 N#CC1=CC=C(S1)CN Z1198169449 [0,2,0,0,0,0|1,1,0]=4 677 B9R1.21 O=CC1=CC=C(O1)CCl Z1198159874 [0,2,0,0,0,0|1,0,0]=3 678 B9R1.21 O=CC1=CC=C(O1)CO Z1238542812 [0,2,0,0,0,0|0,1,0]=3 679 B9R1.21 O=CC1=NOC(=C1)CF Z2732445595 [0,2,0,0,0,0|2,0,0]=4 680 B9R1.21 OCC1=CC=C(O1)CO Z1198147193 [0,2,0,0,0,0|0,1,0]=3 681 B9R1.22 CC1=CC(=C(S1)CN)C Z4739472615 [0,2,0,0,0,0|1,1,0]=4 682 B9R1.22 CN1C=C(C=C1CN)Br Z3628999432 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.22 CN1C=C(C=C1CN)Cl Z5291276313 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.22 NCC1=C(C=C(S1)Cl)Br Z4951080071 [0,2,0,0,0,0|1,1,0]=4 685 B9R1.23 CC1=C(OC(=C1)C=O)Br Z1416181300 [0,2,0,0,0,0|0,1,1]=4 686 B9R1.23 CC1=C(OC(=N1)CN)C Z661694000 [0,2,0,0,0,0|2,0,0]=4 687 B9R1.23 CC1=C(OC(=N1)CO)C Z1374898967 [0,2,0,0,0,0|1,1,0]=4 688 B9R1.23 CC1=C(SC(=C1)CN)C Z1258578420 [0,2,0,0,0,0|1,1,0]=4 689 B9R1.23 NCC1=CC(=C(S1)Cl)Br Z4960048109 [0,2,0,0,0,0|1,1,0]=4 690 B9R1.23 NCC1=CC(=C(S1)Cl)Cl Z3924780398 [0,2,0,0,0,0|1,1,0]=4 691 B9R1.23 O=CC1=CC(=C(O1)Br)Br Z57887774 [0,2,0,0,0,0|0,1,1]=4 692 B9R1.23 OCC1=CC(=C(S1)Br)Br Z1269233063 [0,2,0,0,0,0|0,2,0]=4 693 B9R1.35 CC(=O)C1=CC=C(O1)Br Z147641060 [0,2,0,0,0,0|0,1,1]=4 694 B9R1.35 CC(=O)C1=CC=C(O1)C Z94598638 [0,2,0,0,0,0|0,1,1]=4 695 B9R1.35 CC(C)C1=CC(=NO1)N Z1198357809 [0,2,0,0,0,0|2,0,0]=4 696 B9R1.35 CC(N)C1=CC(=CS1)Br Z3874998794 [0,2,0,0,0,0|1,1,0]=4 697 B9R1.35 CC(O)C1=CC=C(S1)Cl Z228586148 [0,2,0,0,0,0|0,2,0]=4 698 B9R1.35 CC1=CC=C(O1)C(=N)N Z3235164533 [0,2,0,0,0,0|1,0,1]=4 699 B9R1.35 CC1=CC=C(O1)C(=O)N Z33547151 [0,2,0,0,0,0|0,1,1]=4 700 B9R1.35 CC1=CC=C(O1)C(=O)O Z56895714 [0,2,0,0,0,0|0,1,1]=4 701 B9R1.35 CC1=CC=C(O1)C(C)N Z119990422 [0,2,0,0,0,0|1,0,0]=3 702 B9R1.35 CC1=CC=C(S1)C(C)N Z285186066 [0,2,0,0,0,0|1,1,0]=4 703 B9R1.35 CC1=COC(=C1)C(=O)O Z1205494707 [0,2,0,0,0,0|0,1,1]=4 704 B9R1.35 C[C@@H](N)C1=CC=C(S1)Cl Z1587257446 [0,2,0,0,0,0|1,1,0]=4 705 B9R1.35 C[C@H](N)C1=CC=C(S1)Br Z1753032856 [0,2,0,0,0,0|1,1,0]=4 706 B9R1.35 C[C@H](N)C1=CC=C(S1)Cl Z1583815700 [0,2,0,0,0,0|1,1,0]=4 707 B9R1.35 NC(=O)C1=CC=C(O1)Br Z33546653 [0,2,0,0,0,0|0,1,1]=4 708 B9R1.35 O=C(O)C1=CC(=CO1)Br Z1198150497 [0,2,0,0,0,0|0,1,1]=4 709 B9R1.35 O=C(O)C1=CC=C(O1)Br Z57233752 [0,2,0,0,0,0|0,1,1]=4 710 B9R1.35 O=C(O)C1=CC=C(O1)Cl Z119989852 [0,2,0,0,0,0|0,1,1]=4 711 B9R1.35 O=C(O)C1=CC=C(O1)F Z1509050307 [0,2,0,0,0,0|0,1,1]=4 712 B9R1.132 CC1=CC=C(N1C)CN Z56968795 [0,2,0,0,0,0|2,0,0]=4 713 B9R1.132 OCC1=C(C(=CS1)Cl)Cl Z3182693542 [0,2,0,0,0,0|0,2,0]=4 714 B9R1.11 C/N=C(\Cl)/C1=CC=CO1 Z104378178 [0,2,0,0,0,0|1,0,1]=4 715 B9R1.11 CC(C#N)C1=CC=CS1 Z803101384 [0,2,0,0,0,0|1,1,0]=4 716 B9R1.11 CC(CN)C1=CC=CS1 Z803101386 [0,2,0,0,0,0|1,1,0]=4 717 B9R1.11 CCC(=O)C1=CC=CO1 Z274774438 [0,2,0,0,0,0|1,0,0]=3 718 B9R1.11 CCC(N)C1=CC=CS1 Z744593088 [0,2,0,0,0,0|1,1,0]=4 719 B9R1.11 CNC(C)C1=CC=CS1 Z57206120 [0,2,0,0,0,0|1,1,0]=4 720 B9R1.11 COC(=O)C1=CC=CO1 Z19719727 [0,2,0,0,0,0|0,1,1]=4 721 B9R1.11 N#CC(N)C1=CC=CS1 Z2517097606 [0,2,0,0,0,0|1,1,0]=4 722 B9R1.11 NC(CO)C1=CC=CO1 Z1255405023 [0,2,0,0,0,0|0,1,0]=3 723 B9R1.11 NCC(=O)C1=CC=CO1 Z1193968923 [0,2,0,0,0,0|1,0,0]=3 724 B9R1.11 NNC(=O)C1=CC=CO1 Z57036326 [0,2,0,0,0,0|0,1,1]=4 725 B9R1.11 O=C(CCl)C1=CC=CN1 Z56912626 [0,2,0,0,0,0|2,0,0]=4 726 B9R1.11 O=C(CCl)C1=CC=CO1 Z1205657324 [0,2,0,0,0,0|1,0,0]=3 727 B9R1.11 O=C(CCl)C1=CC=CS1 Z285150724 [0,2,0,0,0,0|1,1,0]=4 728 B9R1.11 O=C(CCl)C1=CN=CO1 Z3034481585 [0,2,0,0,0,0|2,0,0]=4 729 B9R1.19 CC(C)(N)C1=CC=CS1 Z756110048 [0,2,0,0,0,0|1,1,0]=4 730 B9R1.19 CC(C)(O)C1=CC=CS1 Z756109948 [0,2,0,0,0,0|0,2,0]=4 731 B9R1.19 O=S(=O)(Cl)C1=CC=CO1 Z1180060459 [0,2,0,0,0,0|1,1,0]=4 732 B9R1.41 CC(=O)C1=C(C=CO1)C Z1386912896 [0,2,0,0,0,0|0,1,1]=4 733 B9R1.41 CC(C)C1=C(C=CS1)N Z4702454044 [0,2,0,0,0,0|1,1,0]=4 734 B9R1.41 CC(C)C1=C(C=NO1)N Z2755722468 [0,2,0,0,0,0|2,0,0]=4 735 B9R1.41 CC1=C(OC=C1)C(=N)N Z1255465907 [0,2,0,0,0,0|1,0,1]=4 736 B9R1.41 CC1=C(OC=C1)C(=O)N Z278515020 [0,2,0,0,0,0|0,1,1]=4 737 B9R1.41 CC1=C(OC=C1)C(=O)O Z147652428 [0,2,0,0,0,0|0,1,1]=4 738 B9R1.41 CC1=C(SC=C1)C(C)O Z837065414 [0,2,0,0,0,0|0,2,0]=4 739 B9R1.41 O=C(O)C1=C(C=CO1)Br Z1142535554 [0,2,0,0,0,0|0,1,1]=4 740 B9R1.41 O=C(O)C1=C(C=CO1)Cl Z1205495526 [0,2,0,0,0,0|0,1,1]=4 741 B9R1.12 CCCCC1=CN=CO1 Z2520746593 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.12 CCNCC1=CC=CO1 Z90513169 [0,2,0,0,0,0|1,0,0]=3 743 B9R1.12 CNCCC1=CC=CS1 Z162416950 [0,2,0,0,0,0|1,1,0]=4 744 B9R1.12 N#CCCC1=CC=CO1 Z1079179114 [0,2,0,0,0,0|1,0,0]=3 745 B9R1.12 NCCCC1=NC=CO1 Z4966451613 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.12 O=C/C=C/C1=CC=CO1 Z3219926044 [0,2,0,0,0,0|0,1,1]=4 747 B9R1.12 S=C=NCC1=CC=CO1 Z56899048 [0,2,0,0,0,0|0,0,1]=3 748 B9R1.13 CC(N)CC1=CC=CO1 Z285143986 [0,2,0,0,0,0|1,0,0]=3 749 B9R1.13 CC(N)CC1=CC=CS1 Z1160899518 [0,2,0,0,0,0|1,1,0]=4 750 B9R1.13 CN(C)CC1=CC=CN1 Z810541778 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.13 N=C(N)CC1=CC=CS1 Z1526503402 [0,2,0,0,0,0|1,1,0]=4 752 B9R1.13 NC(=O)CC1=CC=CN1 Z1203579730 [0,2,0,0,0,0|1,1,0]=4 753 B9R1.13 O=C(O)CC1=CC=CO1 Z1179936226 [0,2,0,0,0,0|0,1,0]=3 754 B9R1.13 O=C(O)CC1=CC=CS1 Z104473344 [0,2,0,0,0,0|0,2,0]=4 755 B9R1.13 O=C(O)CC1=CC=NO1 Z1205495543 [0,2,0,0,0,0|1,1,0]=4 756 B9R1.33 CC1=C(SC=C1)CC=O Z1250885386 [0,2,0,0,0,0|0,2,0]=4 757 B9R1.33 CNCC1=C(C=CS1)Br Z1342208365 [0,2,0,0,0,0|1,1,0]=4 758 B9R1.33 CNCC1=C(C=CS1)C Z85956636 [0,2,0,0,0,0|1,1,0]=4 759 B9R1.33 CNCC1=CC=CN1C Z57778741 [0,2,0,0,0,0|2,0,0]=4 760 B9R1.14 CCC1=C(C=NO1)C=O Z1416198206 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.14 CCC1=C(OC=C1)C=O Z1511886468 [0,2,0,0,0,0|0,1,1]=4 762 B9R1.14 CCC1=C(SC=C1)CN Z815289796 [0,2,0,0,0,0|1,1,0]=4 763 B9R1.14 CCN1C=CC=C1CN Z5032969211 [0,2,0,0,0,0|2,0,0]=4 764 B7R1.3 OC1=CC=CC=C1 Z104473830 [0,0,1,1,0,0|1,0,1]=4 765 B7R1.3 OC1=CN=CC=C1 Z104476790 [0,0,1,1,0,0|1,0,1]=4