0 B15R2.9032 CC1=C(C(=O)C2=C(C1=O)C=CC=C2)C Z1198147654 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.9032 CC1=C(C(=O)C2=C(C1=O)C=CC=C2)O Z1198147653 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.9032 NC1=C(C(=O)C2=C(C1=O)C=CC=C2)Cl Z57178974 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.7724 CC1=C(C2=C(C=CC=C2)C(=C1)Br)N Z1416120135 [1,0,0,0,0,0|2,0,0]=3 4 B14R2.7724 CC1=C(C2=C(C=CC=C2)C(=C1)Cl)N Z1262624217 [1,0,0,0,0,0|2,0,0]=3 5 B14R2.7724 CC1=C(C2=C(C=CC=N2)C(=C1)Br)C Z4033100264 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.7724 CC1=C(C2=C(C=CC=N2)C(=C1)N)C Z1259204919 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.7724 CC1=C(C2=C(C=NC=C2)C(=C1)Br)Br Z2718937746 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.7724 CC1=C(C2=C(N=CC=C2)C(=C1)N)Br Z5610151196 [1,0,0,0,0,0|3,0,0]=4 9 B14R2.7724 CC1=CC(=O)C2=C(C1=O)C=CC=C2 Z1255430959 [1,0,0,0,0,0|0,0,0]=1 10 B14R2.7724 CN1C=C(C2=C(C1=O)C=CC=C2)Br Z1269128654 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.7724 CN1C=C(C2=C(C1=O)C=CC=C2)I Z1862014185 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.7724 CN1NC(=O)C2=C(C1=O)C=CC=C2 Z50146900 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.7724 NC1=C2C=CC=CC2=C(C(=C1)Cl)O Z1262666984 [1,0,0,0,0,0|2,0,1]=4 14 B14R2.7724 O=C1C=C(C(=O)C2=C1C=CC=C2)O Z104479394 [1,0,0,0,0,0|1,0,0]=2 15 B14R2.8188 CC1=C(C(=C2C=CC=CC2=N1)C)N Z5921800667 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.8188 CC1=C(C(=C2C=CC=CC2=N1)O)Br Z2239077884 [1,0,0,0,0,0|2,0,1]=4 17 B14R2.8188 CC1=C(C(=C2C=CC=NC2=C1)C)C Z4786323248 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.8188 CC1=C(C(=O)C2=C(N1)C=CC=C2)C Z727720104 [1,0,0,0,0,0|1,0,0]=2 19 B14R2.8188 CC1=C(C(=O)C2=C(N1)C=CC=C2)O Z1255448123 [1,0,0,0,0,0|2,0,0]=3 20 B14R2.8188 CC1=C(C(=O)N2C=CC=CC2=N1)N Z1255366571 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.8188 CC1=NC2=C(C=CC=C2)C(=O)N1N Z56922165 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.8188 CN1C(=O)C2=C(C=CC=C2)N=C1S Z56921792 [1,0,0,0,0,0|3,0,0]=4 23 B14R2.8188 CN1C(=O)CC2=C(C1=O)C=CC=C2 Z56785068 [1,0,0,0,0,0|2,0,1]=4 24 B14R2.8188 CN1C(=O)NC2=C(C1=O)C=CC=C2 Z164707292 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.133343 CC1=CC2=C(C=C1)C(=O)C(=C(C2=O)C)C Z1509621924 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.746 COC(=O)C1=C(C=CC=C1)C(=O)OC Z57902306 [0,0,1,0,0,0|2,0,0]=3 27 B14R1.746 COC(=O)C1=C(C=NC=C1)C(=O)OC Z1255356418 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.89 CC(C)C(=O)C1=C(C=CC=C1)C=O Z1511903060 [1,0,1,0,0,0|0,0,1]=3 29 B13R1.89 CN(C)C(=O)C1=C(C=CC=C1)C=O Z1068186142 [1,0,1,0,0,0|1,0,0]=3 30 B13R1.464 CCNC(=O)C1=C(C=CC=C1)C=O Z1068186392 [1,0,1,0,0,0|1,0,1]=4 31 B13R1.547 COC(=O)C1=C(C=CC=C1)C(=O)O Z1080376828 [1,0,1,0,0,0|2,0,0]=4 32 B13R2.32 CC1=C(C2=C(C=C1)C=NC=C2)N Z1255428312 [2,0,0,0,0,0|2,0,0]=4 33 B13R2.32 CC1=C(C2=C(C=C1)N=CC=C2)Br Z1269157629 [2,0,0,0,0,0|2,0,0]=4 34 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)Br Z1251333005 [2,0,0,0,0,0|1,0,0]=3 35 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)O Z1255419170 [2,0,0,0,0,0|0,0,1]=3 36 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)Cl Z1198219341 [2,0,0,0,0,0|2,0,0]=4 37 B13R2.32 CC1=C(C2=C(C=CC=C2)N=C1)O Z1198219340 [2,0,0,0,0,0|1,0,1]=4 38 B13R2.32 CC1=C(C2=C(C=CC=N2)C=C1)Br Z1269219117 [2,0,0,0,0,0|2,0,0]=4 39 B13R2.32 CC1=C(C2=C(C=CC=N2)C=C1)C Z1198725580 [2,0,0,0,0,0|2,0,0]=4 40 B13R2.32 CC1=C(C2=C(C=CC=N2)C=C1)Cl Z212170818 [2,0,0,0,0,0|2,0,0]=4 41 B13R2.32 CC1=C(C2=C(C=CC=N2)C=C1)F Z1617987132 [2,0,0,0,0,0|2,0,0]=4 42 B13R2.32 CC1=C2C=CC=CC2=CC=C1Br Z1269169594 [2,0,0,0,0,0|2,0,0]=4 43 B13R2.32 CC1=CNC2=C(C1=N)C=CC=C2 Z1601555079 [2,0,0,0,0,0|2,0,0]=4 44 B13R2.32 CC1=COC2=C(C1=O)C=CC=C2 Z425469204 [2,0,0,0,0,0|1,0,0]=3 45 B13R2.32 ClC1=C(C2=C(C=CC=C2)C=C1)Br Z1269176087 [2,0,0,0,0,0|2,0,0]=4 46 B13R2.32 FC1=C2C=CC=CC2=CC=C1I Z1269152380 [2,0,0,0,0,0|2,0,0]=4 47 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)O Z2689265962 [2,0,0,0,0,0|1,0,1]=4 48 B13R2.32 O=C1C(=COC2=C1C=CC=C2)I Z1269128046 [2,0,0,0,0,0|2,0,0]=4 49 B13R2.32 O=C1C=CC2=C(C1=O)C=CC=C2 Z324553598 [2,0,0,0,0,0|1,0,0]=3 50 B13R2.32 OC1=C(C2=C(C=CC=C2)C=C1)Br Z56913130 [2,0,0,0,0,0|2,0,0]=4 51 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br Z1269199494 [2,0,0,0,0,0|1,0,1]=4 52 B13R2.32 OC1=C2C=CC=CC2=CC=C1Cl Z1255445829 [2,0,0,0,0,0|1,0,1]=4 53 B13R2.32 OC1=C2C=CC=CC2=CC=C1F Z1198170673 [2,0,0,0,0,0|1,0,1]=4 54 B13R2.328 CC1=CC(=NC2=C1C=CC=C2)C Z276653744 [2,0,0,0,0,0|2,0,0]=4 55 B13R2.328 CC1=CC(=O)C2=C(N1)C=CC=C2 Z445211720 [2,0,0,0,0,0|1,0,0]=3 56 B13R2.328 CC1=CC2=C(C=CC=C2)C(=C1)Br Z1269179491 [2,0,0,0,0,0|1,0,0]=3 57 B13R2.328 CC1=CC2=C(C=CC=C2)C(=C1)N Z1255367543 [2,0,0,0,0,0|1,0,0]=3 58 B13R2.328 CC1=CC2=C(C=CC=N2)C(=O)O1 Z3247541294 [2,0,0,0,0,0|2,0,0]=4 59 B13R2.328 CC1=CC2=C(C=CN=C2)C(=C1)C Z1198725426 [2,0,0,0,0,0|2,0,0]=4 60 B13R2.328 CC1=CC2=C(C=NC=C2)C(=C1)Br Z1486027533 [2,0,0,0,0,0|2,0,0]=4 61 B13R2.328 CC1=CC2=C(C=NC=C2)C(=C1)C Z1198725429 [2,0,0,0,0,0|2,0,0]=4 62 B13R2.328 CC1=CC2=C(C=NC=C2)C(=C1)Cl Z3003060989 [2,0,0,0,0,0|2,0,0]=4 63 B13R2.328 CC1=CC2=C(N=CC=C2)C(=C1)Br Z1269148017 [2,0,0,0,0,0|2,0,0]=4 64 B13R2.328 CC1=CC2=C(N=CC=C2)C(=C1)Cl Z1255505901 [2,0,0,0,0,0|2,0,0]=4 65 B13R2.328 CC1=CC2=C(N=CC=C2)C(=C1)F Z361894826 [2,0,0,0,0,0|2,0,0]=4 66 B13R2.328 CC1=CC2=C(N=CC=C2)C(=C1)N Z1198168673 [2,0,0,0,0,0|2,0,0]=4 67 B13R2.328 CC1=NC(=C2C=CC=CC2=C1)N Z1216821851 [2,0,0,0,0,0|2,0,0]=4 68 B13R2.328 CC1=NC(=C2C=CC=CC2=C1)O Z1622825502 [2,0,0,0,0,0|1,0,1]=4 69 B13R2.328 CC1=NC2=C(C=CC=C2)C(=C1)Br Z428348886 [2,0,0,0,0,0|2,0,0]=4 70 B13R2.328 CC1=NC2=C(C=CC=C2)C(=C1)N Z56851231 [2,0,0,0,0,0|2,0,0]=4 71 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 Z56895688 [2,0,0,0,0,0|2,0,0]=4 72 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 Z96091926 [2,0,0,0,0,0|2,0,0]=4 73 B13R2.328 FC1=C2C=CC=CC2=CC(=C1)I Z1269135316 [2,0,0,0,0,0|2,0,0]=4 74 B13R2.328 NC1=C2C=CC=CC2=CC(=C1)Cl Z4385055020 [2,0,0,0,0,0|2,0,0]=4 75 B13R2.328 NC1=CC2=C(C=CC=C2)C(=C1)O Z2680629853 [2,0,0,0,0,0|1,0,1]=4 76 B13R2.328 NC1=CC2=C(C=CC=C2)C(=O)N1 Z278202458 [2,0,0,0,0,0|2,0,0]=4 77 B13R2.328 O=C1NC(=CC2=C1C=CC=C2)Cl Z325999716 [2,0,0,0,0,0|2,0,0]=4 78 B13R2.328 O=C1OC(=CC2=C1C=CC=C2)Cl Z1198723772 [2,0,0,0,0,0|2,0,0]=4 79 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O Z1198149533 [2,0,0,0,0,0|1,0,1]=4 80 B13R2.371 CN1C=CC(=O)C2=C1C=CC=C2 Z1198151716 [2,0,0,0,0,0|2,0,0]=4 81 B13R2.371 ClC1=C2C=CC=CC2=C(C=C1)Br Z1269212799 [2,0,0,0,0,0|2,0,0]=4 82 B13R2.371 ClC1=C2C=CC=CC2=C(C=C1)Cl Z1198151285 [2,0,0,0,0,0|2,0,0]=4 83 B13R2.371 FC1=C2C=CC=CC2=C(C=C1)I Z1269171164 [2,0,0,0,0,0|2,0,0]=4 84 B13R2.371 NC1=C2C=CC=CC2=C(C=C1)O Z104442670 [2,0,0,0,0,0|1,0,1]=4 85 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 Z104494806 [2,0,0,0,0,0|0,0,0]=2 86 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)Cl Z1198158985 [2,0,0,0,0,0|2,0,0]=4 87 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)F Z2932596705 [2,0,0,0,0,0|2,0,0]=4 88 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)I Z1269223291 [2,0,0,0,0,0|2,0,0]=4 89 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O Z276119362 [2,0,0,0,0,0|1,0,1]=4 90 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 Z50146004 [2,0,0,0,0,0|2,0,0]=4 91 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Br Z57204184 [2,0,0,0,0,0|1,0,1]=4 92 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Cl Z104477546 [2,0,0,0,0,0|1,0,1]=4 93 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)F Z1198279754 [2,0,0,0,0,0|1,0,1]=4 94 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O Z815299402 [2,0,0,0,0,0|0,0,2]=4 95 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)S Z1251357608 [2,0,0,0,0,0|0,1,1]=4 96 B13R2.369 CC1=C(C=C2C=CC=CC2=N1)O Z1198159959 [2,0,0,0,0,0|2,0,0]=4 97 B13R2.369 CC1=C(C=C2C=NC=CC2=C1)Br Z3300741555 [2,0,0,0,0,0|2,0,0]=4 98 B13R2.369 CC1=C(C=C2C=NC=CC2=C1)F Z1198233133 [2,0,0,0,0,0|2,0,0]=4 99 B13R2.369 CC1=C(N=C2C=CC=CC2=C1)Br Z1101437829 [2,0,0,0,0,0|2,0,0]=4 100 B13R2.369 CC1=C(N=C2C=CC=CC2=C1)Cl Z1097119565 [2,0,0,0,0,0|2,0,0]=4 101 B13R2.369 CC1=CC2=C(C=CC=C2)NC1=O Z1198181962 [2,0,0,0,0,0|2,0,0]=4 102 B15R1.38509 COC(=O)C1=C(C(=CC=C1)O)C(=O)OC Z1513804507 [0,1,1,0,0,0|2,0,0]=4 103 B15R1.38521 COC(=O)C1=C(C=C(C=C1)N)C(=O)OC Z1079174180 [0,1,1,0,0,0|2,0,0]=4 104 B15R1.38521 COC(=O)C1=C(C=C(C=C1)O)C(=O)OC Z1509565991 [0,1,1,0,0,0|2,0,0]=4 105 B15R2.6124 CC1=CC(=O)N2C=CC=CC2=C1C#N Z56865491 [1,1,0,0,0,0|2,0,0]=4 106 B15R2.6124 O=CC1=C2C=CC=CC2=C(C=C1Br)F Z1862021542 [1,1,0,0,0,0|2,0,0]=4 107 B15R2.21211 CN1C=C(C2=C(C1=O)C=NC=C2)C=O Z199468166 [1,1,0,0,0,0|2,0,0]=4 108 B15R2.274 CCC1=C(C2=C(C=CC=C2)N=C1C)Cl Z728804020 [1,1,0,0,0,0|2,0,0]=4 109 B15R2.274 CCC1=C(NC2=C(C1=N)C=CC=C2)C Z1642061026 [1,1,0,0,0,0|2,0,0]=4 110 B15R2.274 CCC1=C(NC2=C(C1=O)C=CC=C2)C Z728804794 [1,1,0,0,0,0|1,0,0]=3 111 B15R2.274 CCN1C(=O)C2=C(C=CC=C2)N=C1C Z214617946 [1,1,0,0,0,0|2,0,0]=4 112 B15R2.1007 CC1=C(C(=C2C=C(C=CC2=N1)Br)Cl)C Z727721424 [1,1,0,0,0,0|2,0,0]=4 113 B15R2.1007 CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C Z727720356 [1,1,0,0,0,0|1,0,0]=3 114 B15R2.1007 CC1=C(C(=O)C2=C(N1)C=CC(=C2)F)C Z727720290 [1,1,0,0,0,0|1,0,0]=3 115 B15R2.1007 CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C Z3752625782 [1,1,0,0,0,0|2,0,0]=4 116 B15R2.13612 CC1=C(C(=C2C=CC=C(C2=N1)Cl)Cl)C Z727721390 [1,1,0,0,0,0|2,0,0]=4 117 B15R2.13612 CC1=C(C(=C2C=CC=C(C2=N1)F)O)C Z1623872041 [1,1,0,0,0,0|1,0,1]=4 118 B15R2.13612 CC1=C(C(=O)C2=C(N1)C(=CC=C2)Cl)C Z727720294 [1,1,0,0,0,0|1,0,0]=3 119 B15R2.21243 CN1C(=O)C2=C(C=CC=C2)N=C1CCl Z164706364 [1,1,0,0,0,0|2,0,0]=4 120 B15R2.21243 CSC1=NC2=C(C=CC=C2)C(=O)N1C Z24196704 [1,1,0,0,0,0|2,0,0]=4 121 B15R2.395 CC1=C(SC=C1)C(=O)C2=CC=CC=C2 Z425400294 [0,0,1,1,0,0|2,0,0]=4 122 B15R2.4808 CC1=C(ON=C1C=O)C2=CC=CC=C2 Z2732614324 [0,0,1,1,0,0|1,0,1]=4 123 B15R2.19310 COC(=O)C1=C2C(=O)CCC2=CC=C1 Z1255448232 [0,0,1,1,0,0|1,0,1]=4 124 B13R2.3085 NN1C(=O)C2=C(C1=O)C=CC=C2 Z56922077 [1,0,0,0,1,0|2,0,0]=4 125 B15R1.3847 C=CC(=O)NC1=C(C=CC=C1)C(=O)OC Z440635160 [0,0,1,0,0,1|1,0,1]=4 126 B15R2.8448 CN1CC(=O)NC2=C(C1=O)C=CC=C2 Z1120981369 [1,0,0,0,0,1|1,0,1]=4 127 B15R2.13167 CC1NC(=O)C2=C(C=CC=C2)NC1=O Z1198161115 [1,0,0,0,0,1|1,0,1]=4