0 B18R3.15 C1=CC(=CC=N1)C2=CC=C(S2)C3=NOC=C3 MCULE-5828699124 [0,0,0,0,0,0|3,0,0]=3 1 B18R3.15 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CS3 MCULE-2469148423 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.15 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=NN3 MCULE-7091781516 [0,0,0,0,0,0|2,0,2]=4 3 B18R3.15 C1=CC=C(C=C1)C2=NC=C(S2)C3=CC=NO3 MCULE-6834128261 [0,0,0,0,0,0|1,0,1]=2 4 B18R3.15 C1=CC=C(C=C1)C2=NC=C(S2)C3=NNC=C3 MCULE-9091986717 [0,0,0,0,0,0|0,0,0]=0 5 B18R3.15 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CS3 MCULE-8651688760 [0,0,0,0,0,0|3,1,0]=4 6 B18R3.15 C1=CC=C(C=C1)C2=NNC(=C2)C3=CC=NN3 MCULE-3344565997 [0,0,0,0,0,0|2,0,2]=4 7 B18R3.15 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CN3 MCULE-1733891817 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.15 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CO3 MCULE-9416173746 [0,0,0,0,0,0|4,0,0]=4 9 B18R3.15 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CS3 MCULE-1229609544 [0,0,0,0,0,0|4,0,0]=4 10 B18R3.15 C1=CC=C(C=C1)C2=NOC(=N2)C3=CNN=N3 MCULE-5418824200 [0,0,0,0,0,0|3,0,1]=4 11 B18R3.15 C1=CC=C(C=C1)C2=NOC(=N2)C3=CSN=N3 MCULE-5304540414 [0,0,0,0,0,0|3,0,1]=4 12 B18R3.15 C1=CN=C(C=C1)C2=NC=C(S2)C3=CC=NN3 MCULE-6486441050 [0,0,0,0,0,0|1,0,2]=3 13 B18R3.15 C1=CN=CC(=C1)C2=NC=C(S2)C3=CC=NN3 MCULE-9171329573 [0,0,0,0,0,0|1,0,2]=3 14 B19R3.82 CC1=CC(=NN1)C2=NC(=NO2)C3=CC=CC=C3 MCULE-7072513540 [0,1,0,0,0,0|2,0,0]=3 15 B19R3.82 CC1=CC(=NN1)C2=NC(=NO2)C3=CC=NC=C3 MCULE-3781764091 [0,1,0,0,0,0|3,0,0]=4 16 B19R3.86 ClC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=NO3 MCULE-2022407485 [0,1,0,0,0,0|1,0,1]=3 17 B19R3.86 FC1=CC=C(C=C1)C2=NOC(=N2)C3=NNC=C3 MCULE-8531375038 [0,1,0,0,0,0|2,0,0]=3 18 B19R3.3874 CC1=C(C=C(O1)C2=CC=CC=C2)C3=NNC=C3 MCULE-8109965404 [0,1,0,0,0,0|2,0,0]=3 19 B19R3.3874 CC1=C(SC(=N1)C2=CC=CC=C2)C3=NNC=C3 MCULE-9127744976 [0,1,0,0,0,0|0,0,0]=1 20 B19R3.3874 CC1=C(SC(=N1)C2=CC=CC=N2)C3=CC=NN3 MCULE-2948924058 [0,1,0,0,0,0|1,0,2]=4 21 B19R3.3874 CC1=C(SC(=N1)C2=CC=CN=C2)C3=NNC=C3 MCULE-7038991884 [0,1,0,0,0,0|1,0,0]=2 22 B19R3.3874 CC1=C(SC(=N1)C2=CC=NC=C2)C3=NNC=C3 MCULE-8428343688 [0,1,0,0,0,0|1,0,0]=2 23 B19R3.3874 CC1=NN(C=C1C2=NNC=C2)C3=CC=CC=C3 MCULE-8537278340 [0,1,0,0,0,0|2,0,0]=3 24 B17R2.5714 O=C(NN=CC1=CC=CC=C1)C2=NNC=C2 MCULE-1153186261 [0,0,1,0,0,0|1,1,0]=3 25 B17R3.6 C1=CC(=NN1)C2=CC=C(S2)C3=NOC=C3 MCULE-7062451253 [0,0,0,0,1,0|3,0,0]=4 26 B17R3.6 C1=CSC(=C1)C2=NC=C(S2)C3=CC=NN3 MCULE-1669166860 [0,0,0,0,1,0|1,0,2]=4 27 B17R3.6 C1=CSC(=C1)C2=NC=C(S2)C3=CC=NO3 MCULE-3297937018 [0,0,0,0,1,0|2,0,1]=4 28 B17R3.6 C1=C[Se]C(=C1)C2=CN=C(S2)C3=CC=C[Se]3 MCULE-6641126848 [0,0,0,0,1,0|3,0,0]=4 29 B19R3.24 C1=CC(=CC(=C1)C2=CC=NC=C2)C3=NNC=C3 MCULE-1925400397 [0,0,0,0,0,1|3,0,0]=4 30 B19R3.24 C1=CC(=CC(=C1)C2=CC=NC=C2)C3=NNC=C3 MCULE-6103054675 [0,0,0,0,0,1|3,0,0]=4 31 B19R3.24 C1=CN=C(C=C1)C2=CC=CC(=C2)C3=NNC=C3 MCULE-8823561938 [0,0,0,0,0,1|3,0,0]=4 32 B19R3.24 C1=CN=C(C=C1)C2=CC=CC(=C2)C3=NNC=C3 MCULE-9457838624 [0,0,0,0,0,1|3,0,0]=4 33 B19R3.24 C1=CN=CC(=C1)C2=CC=CC(=C2)C3=NNC=C3 MCULE-6620050799 [0,0,0,0,0,1|3,0,0]=4 34 B19R3.27 C1=CC(=CC=N1)C2=NC=C(S2)C3=NC=NC=C3 MCULE-4194769144 [0,0,0,0,0,1|1,0,1]=3 35 B19R3.27 C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=CC=C3 MCULE-8824092374 [0,0,0,0,0,1|3,0,0]=4 36 B19R3.27 C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3 MCULE-2869194238 [0,0,0,0,0,1|2,1,0]=4 37 B19R3.27 C1=CC=C(C=C1)C2=CN=C(S2)C3=CC=CC=C3 MCULE-6080173359 [0,0,0,0,0,1|2,0,0]=3 38 B19R3.27 C1=CC=C(C=C1)C2=NC(=CS2)C3=CC=CN=C3 MCULE-4072493383 [0,0,0,0,0,1|3,0,0]=4 39 B19R3.27 C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CN=C3 MCULE-2433162134 [0,0,0,0,0,1|2,1,0]=4 40 B19R3.27 C1=CC=C(C=C1)C2=NN=C(O2)C3=NC=CC=C3 MCULE-6414163062 [0,0,0,0,0,1|2,1,0]=4 41 B19R3.27 C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=CC=C3 MCULE-6886994983 [0,0,0,0,0,1|3,0,0]=4 42 B19R3.27 C1=CC=C(C=C1)C2=NN=C(S2)C3=CC=NC=C3 MCULE-3190904938 [0,0,0,0,0,1|2,0,1]=4 43 B19R3.27 C1=CC=C(C=C1)C2=NNC(=C2)C3=NC=CC=C3 MCULE-6834449386 [0,0,0,0,0,1|3,0,0]=4 44 B19R3.27 C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=CC=N3 MCULE-9632991911 [0,0,0,0,0,1|3,0,0]=4 45 B19R3.27 C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=N3 MCULE-3532728416 [0,0,0,0,0,1|3,0,0]=4 46 B19R3.27 C1=CC=C(C=C1)C2=NOC(=N2)C3=CN=CC=C3 MCULE-6461965165 [0,0,0,0,0,1|3,0,0]=4 47 B19R3.27 C1=CC=C(C=C1)C2=NOC(=N2)C3=CN=CC=N3 MCULE-4318856501 [0,0,0,0,0,1|3,0,0]=4 48 B19R3.27 C1=CN=CC(=C1)C2=NN=C(S2)C3=CC=CN=C3 MCULE-4018463555 [0,0,0,0,0,1|3,0,0]=4 49 B19R3.2481 C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NNC=C3 MCULE-7145874038 [0,0,0,0,0,1|2,0,0]=3 50 B16R2.141 CC(=NO)C1=CN=C(S1)C2=CC=CC=C2 MCULE-3873785468 [1,0,1,0,0,0|1,0,1]=4 51 B16R2.2257 C1=CC=C(C=C1)C=CC=CC2=NNC=C2 MCULE-6348020313 [1,0,1,0,0,0|1,0,0]=3 52 B18R2.3732 CN1C=CC(=N1)C(=O)NN=CC2=CC=CC=C2 MCULE-7184582914 [0,1,1,0,0,0|1,1,0]=4 53 B18R2.3989 O=C(NN=CC1=CC=CC=C1Cl)C2=NNC=C2 MCULE-8445122466 [0,1,1,0,0,0|1,1,0]=4 54 B18R2.8984 O=C(NN=CC1=CC=C(C=C1)O)C2=NNC=C2 MCULE-3722885857 [0,1,1,0,0,0|1,1,0]=4 55 B20R3.152 ClC1=CC=C(C=C1)C2=NC=C(S2)C3=NC=NC=C3 MCULE-7222868056 [0,1,0,0,0,1|0,0,1]=3 56 B20R3.155 CC1=C(SC(=N1)C2=CC=NC=C2)C3=NC=NC=C3 MCULE-5902873759 [0,1,0,0,0,1|1,0,1]=4 57 B20R3.155 NC1=C(SC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 MCULE-9101265144 [0,1,0,0,0,1|2,0,0]=4 58 B20R3.155 OC1=C(SC(=N1)C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4306694672 [0,1,0,0,0,1|2,0,0]=4 59 B20R3.160 NC1=NC(=CC=N1)C2=CN=C(S2)C3=CC=CC=C3 MCULE-4530163127 [0,1,0,0,0,1|0,0,1]=3 60 B20R3.160 NC1=NC(=CC=N1)C2=CN=C(S2)C3=CC=CN=C3 MCULE-1682421302 [0,1,0,0,0,1|1,0,1]=4 61 B20R3.160 NC1=NC(=CC=N1)C2=CN=C(S2)C3=NC=CC=C3 MCULE-8364898932 [0,1,0,0,0,1|1,0,1]=4 62 B20R3.160 NC1=NC=CC(=N1)C2=CN=C(S2)C3=CC=NC=C3 MCULE-3810923400 [0,1,0,0,0,1|1,0,1]=4 63 B20R3.264 NC1=CC=CC=C1C2=NC=C(S2)C3=CC=CC=C3 MCULE-1846721422 [0,1,0,0,0,1|2,0,0]=4 64 B20R3.242093 O=C1N=C(SC1=CC2=CC=CS2)C3=CC=CC=C3 MCULE-8702887172 [0,1,0,0,0,1|2,0,0]=4 65 B20R3.116 FC1=C(C=CC(=C1)C2=NNC=C2)C3=CC=CC=C3 MCULE-8403948359 [0,1,0,0,0,1|2,0,0]=4 66 B20R3.5157 CC1=CC(=NN1)C2=CC=C(C=C2)C3=CC=CC=C3 MCULE-7108332646 [0,1,0,0,0,1|2,0,0]=4 67 B20R3.5157 NC1=CC(=NN1)C2=CC=C(C=C2)C3=CC=CC=C3 MCULE-4977109944 [0,1,0,0,0,1|2,0,0]=4 68 B20R3.5236 CC1=CC(=NN1)C2=NC(=NO2)C3=CC=CC=C3Cl MCULE-2732539539 [0,2,0,0,0,0|2,0,0]=4 69 B20R3.5236 CC1=CC(=NN1)C2=NC(=NO2)C3=CC=CC=C3F MCULE-9269056227 [0,2,0,0,0,0|2,0,0]=4 70 B20R3.5236 CN1C=CC(=N1)C2=NN=C(O2)C3=C(C=CC=C3)Cl MCULE-3166591986 [0,2,0,0,0,0|1,1,0]=4 71 B20R3.5305 CC1=CC(=NN1)C2=NC(=NO2)C3=CC=C(C=C3)Cl MCULE-5675581468 [0,2,0,0,0,0|2,0,0]=4 72 B20R3.5305 CN1C=CC(=N1)C2=NC(=NO2)C3=CC=C(C=C3)F MCULE-6991159978 [0,2,0,0,0,0|2,0,0]=4 73 B20R3.5305 ClC1=CC=C(C=C1)C2=NC=C(S2)C3=CC=C(S3)Br MCULE-5019150477 [0,2,0,0,0,0|2,0,0]=4 74 B20R3.5471 CC1=CC(=NN1)C2=NC(=NO2)C3=CC=CC(=C3)Cl MCULE-1230746136 [0,2,0,0,0,0|2,0,0]=4 75 B20R3.11934 CN1C=C(C(=N1)C2=NN=C(O2)C3=CC=CC=C3)Br MCULE-2734083594 [0,2,0,0,0,0|1,1,0]=4 76 B20R3.402644 CC1=C(C=C(O1)C2=CC=C(C=C2)Cl)C3=NNC=C3 MCULE-4112919983 [0,2,0,0,0,0|2,0,0]=4 77 B20R3.402644 CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C3=NNC=C3 MCULE-1210741770 [0,2,0,0,0,0|0,0,0]=2 78 B20R3.402644 CC1=CC=C(C=C1)C2=NC(=C(S2)C3=CC=NN3)C MCULE-6134671047 [0,2,0,0,0,0|0,0,2]=4 79 B20R3.70 COC1=CC(=CC=C1)C2=NC=C(S2)C3=NC=CN3 MCULE-6219708925 [0,2,0,0,0,0|2,0,0]=4 80 B20R3.91640 CC1=C(SC(=N1)C2=CC(=CC=C2)Cl)C3=CC=NN3 MCULE-7969084096 [0,2,0,0,0,0|0,0,2]=4 81 B20R3.7789 CC1=C(SC(=N1)C2=CC=CC=C2)C3=CC=NN3C MCULE-4696946595 [0,2,0,0,0,0|0,0,2]=4 82 B20R3.97152 CC1=C(SC(=N1)C2=C(C=CC=C2)Cl)C3=CC=NN3 MCULE-1021737119 [0,2,0,0,0,0|0,0,2]=4 83 B18R3.64 C1=CN(C=C1)C2=NC=C(C=C2)C3=NNC=C3 MCULE-9398501209 [0,0,0,0,1,1|2,0,0]=4 84 B20R3.2719 C1=CC=C(C=C1)NC2=NN=C(S2)C3=CN=CC=C3 MCULE-6577327003 [0,0,0,0,0,2|2,0,0]=4 85 B20R3.2719 C1=CC=C(C=C1)NC2=NN=C(S2)C3=NC=CN=C3 MCULE-2438020999 [0,0,0,0,0,2|2,0,0]=4 86 B20R3.2719 C1=CC=C(C=C1)SC2=CC=C(S2)C3=NC=CC=C3 MCULE-2169599056 [0,0,0,0,0,2|2,0,0]=4 87 B20R3.40 C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=NNC=C3 MCULE-4229534516 [0,0,0,0,0,2|2,0,0]=4 88 B20R3.2730 C(#CC1=CC=C(S1)C2=NNC=C2)C3=CC=CC=C3 MCULE-2524145050 [0,0,0,0,0,2|1,0,0]=3 89 B20R3.2730 C1=CC=C(C=C1)CCC2=NOC(=N2)C3=NNC=C3 MCULE-6328502296 [0,0,0,0,0,2|2,0,0]=4