0 B15R2.94 CC1=C(C=C(C=C1)C2=CC=NC=C2)N Z756099078 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.94 CC1=C(C=CC(=C1)C2=CC=CC=C2)N Z359263594 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.94 FC1=C(C=C(C=C1)C2=CN=NC=C2)Br Z4057704572 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.94 NC1=C(C=C(C=C1)C2=CC=CC=C2)Cl Z359383206 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.94 NC1=C(C=C(C=C1)C2=CC=CC=C2)F Z359264122 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.94 NC1=C(C=C(C=C1)C2=CC=CC=C2)I Z1473377749 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.94 NC1=C(C=C(C=C1)C2=CC=NC=C2)N Z1262626443 [0,0,0,0,0,0|2,0,0]=2 7 B15R2.94 NC1=C(C=CC(=C1)C2=CC=CC=C2)Cl Z1037551002 [0,0,0,0,0,0|3,0,0]=3 8 B15R2.94 NC1=C(C=NC(=N1)C2=CC=NC=C2)Br Z1272093548 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.94 OC1=C(C=C(C=C1)C2=CC=CC=C2)Cl Z104493626 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.94 OC1=C(C=C(C=C1)C2=CC=CC=C2)O Z1198148367 [0,0,0,0,0,0|3,0,1]=4 11 B14R2.21 BrC1=NN=CC(=C1)C2=CC=NC=C2 Z4309848866 [1,0,0,0,0,0|2,0,1]=4 12 B14R2.21 NC1=CC(=CC=C1)C2=CC=CC=C2 Z732776406 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.21 NC1=CC(=CC=C1)C2=CC=NC=C2 Z756099090 [1,0,0,0,0,0|1,0,0]=2 14 B14R2.21 NC1=CC(=CN=C1)C2=CC=CC=C2 Z1198164226 [1,0,0,0,0,0|1,0,1]=3 15 B14R2.21 NC1=CC(=NC=C1)C2=CC=CC=C2 Z1083217772 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.21 NC1=NC(=CN=C1)C2=CC=CC=C2 Z1198277985 [1,0,0,0,0,0|2,0,1]=4 17 B14R2.21 NC1=NC(=CN=C1)C2=CC=NC=C2 Z1255428525 [1,0,0,0,0,0|1,0,1]=3 18 B14R2.21 NC1=NC(=NC=C1)C2=CC=NC=C2 Z960787216 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.21 OC1=CC(=CC=C1)C2=CC=NC=C2 Z1255363453 [1,0,0,0,0,0|2,0,0]=3 20 B14R2.21 OC1=CC(=CN=C1)C2=CC=CC=C2 Z1198164227 [1,0,0,0,0,0|2,0,1]=4 21 B14R2.68 BrC1=CC=C(C=C1)C2=CC=CC=C2 Z57073675 [1,0,0,0,0,0|3,0,0]=4 22 B14R2.68 BrC1=CC=C(C=C1)C2=CN=NC=C2 Z3288939250 [1,0,0,0,0,0|3,0,0]=4 23 B14R2.68 NC1=CC=C(C=C1)C2=CC=CC=C2 Z56893113 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.68 NC1=CC=C(C=C1)C2=CC=NC=C2 Z756099088 [1,0,0,0,0,0|2,0,0]=3 25 B14R2.68 NC1=CN=C(C=C1)C2=CC=NC=C2 Z3989953460 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.68 NC1=NC=C(C=C1)C2=CC=CC=C2 Z363993642 [1,0,0,0,0,0|2,0,1]=4 27 B14R2.68 O=C1C=CC(=CN1)C2=NC=CC=C2 Z1190318468 [1,0,0,0,0,0|2,0,0]=3 28 B14R2.68 O=C1C=CC(=NN1)C2=CC=CC=C2 Z432063060 [1,0,0,0,0,0|2,0,0]=3 29 B14R2.68 O=C1C=CC(=NN1)C2=CN=CC=C2 Z2687549759 [1,0,0,0,0,0|3,0,0]=4 30 B14R2.68 O=C1C=CC(=NN1)C2=NC=CC=C2 Z432063086 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.68 O=C1C=NC(=CN1)C2=CC=CC=C2 Z2197092694 [1,0,0,0,0,0|2,0,0]=3 32 B14R2.68 OC1=CC=C(C=C1)C2=CC=CC=C2 Z104474848 [1,0,0,0,0,0|2,0,1]=4 33 B14R2.68 OC1=CC=C(C=C1)C2=CC=NC=C2 Z1255396278 [1,0,0,0,0,0|1,0,1]=3 34 B16R2.2279 O=CC1=C(C=C(C=C1)C2=CC=CC=C2)F Z363993276 [0,1,0,0,0,0|3,0,0]=4 35 B16R2.2279 O=CC1=C(C=C(C=C1)C2=CC=CC=C2)O Z1198344915 [0,1,0,0,0,0|3,0,0]=4 36 B16R2.2279 O=CC1=C(C=C(C=C1)C2=CC=NC=C2)F Z756099110 [0,1,0,0,0,0|2,0,0]=3 37 B16R2.2321 NC1=C(C=C(C=N1)C2=CC=NC=C2)CO Z1509527831 [0,1,0,0,0,0|2,0,1]=4 38 B16R2.2917 CC1=C(C=C(C=C1)C2=CC(=CC=C2)Cl)N Z5023858442 [0,1,0,0,0,0|3,0,0]=4 39 B16R2.2917 CC1=C(C=C(C=N1)C2=CC(=CC=C2)O)N Z1509557287 [0,1,0,0,0,0|2,0,1]=4 40 B14R1.163 C=CC(=O)NCC(=C)C1=CC=CC=C1 Z3024770297 [0,0,1,0,0,0|2,0,1]=4 41 B14R2.70 NC1=C(C=C(C=C1)C2=CC=CS2)N Z1262633780 [0,0,0,0,1,0|3,0,0]=4 42 B14R2.70 NC1=C(C=CC(=C1)C2=CC=CO2)F Z802894448 [0,0,0,0,1,0|3,0,0]=4 43 B14R2.70 NC1=C(C=CC(=C1)N2C=CC=C2)F Z594279076 [0,0,0,0,1,0|3,0,0]=4 44 B14R2.260 CN1N=C(C=C1N)C2=CC=NC=C2 Z385401392 [0,0,0,0,1,0|2,0,1]=4 45 B14R2.4514 CC1=C(NN=C1C2=CC=NC=C2)N Z385386480 [0,0,0,0,1,0|3,0,0]=4 46 B16R2.124 NC1=C(C=CC(=C1)CC2=CC=CC=C2)O Z979482406 [0,0,0,0,0,1|2,0,1]=4 47 B13R2.3 C1=CC(=CC=N1)C2=CC=NC=C2 Z57160158 [2,0,0,0,0,0|2,0,0]=4 48 B13R2.3 C1=CC(=CN=C1)C2=CC=NC=C2 Z3247744453 [2,0,0,0,0,0|0,0,1]=3 49 B13R2.3 C1=CC=C(C=C1)C2=CN=CC=C2 Z104494398 [2,0,0,0,0,0|1,0,1]=4 50 B15R2.17 O=CC1=CC(=CC=C1)C2=CC=NC=C2 Z756099114 [1,1,0,0,0,0|2,0,0]=4 51 B15R2.27 CC1=CC(=CC(=C1)N)C2=CC=NC=C2 Z1946092748 [1,1,0,0,0,0|1,0,0]=3 52 B15R2.27 FC1=CC(=CC(=C1)C2=CC=NC=C2)F Z3402197954 [1,1,0,0,0,0|2,0,0]=4 53 B15R2.27 NC1=CC(=CC(=C1)Cl)C2=CC=NC=C2 Z1999521311 [1,1,0,0,0,0|1,0,0]=3 54 B15R2.28 CC1=CC=C(C=C1)C2=CC(=CC=C2)N Z1741961703 [1,1,0,0,0,0|2,0,0]=4 55 B15R2.30 NC1=CC(=CC=C1)C2=CC(=CC=C2)Br Z1505351313 [1,1,0,0,0,0|2,0,0]=4 56 B15R2.30 NC1=CC(=CC=C1)C2=CC(=CC=C2)Cl Z784880468 [1,1,0,0,0,0|2,0,0]=4 57 B15R2.30 NC1=CC(=CC=C1)C2=CC(=NC=C2)O Z2941509237 [1,1,0,0,0,0|1,0,0]=3 58 B15R2.32 NC1=C(C(=CC=C1)C2=CC=NC=C2)F Z4368672619 [1,1,0,0,0,0|1,0,0]=3 59 B15R2.33 CC1=C(C=C(C=C1)N)C2=CC=CC=C2 Z4428928614 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.33 NC1=CC(=C(C=C1)F)C2=CC=CC=C2 Z4926924362 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.33 NC1=CC(=C(C=C1)F)C2=CC=NC=C2 Z1255388951 [1,1,0,0,0,0|1,0,0]=3 62 B15R2.33 NC1=CC(=C(C=C1)O)C2=CC=CC=C2 Z1198177221 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.332 CC1=C(C=CC=C1)C2=CC(=CC=C2)N Z3244655143 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.332 NC1=C(C=CN=C1)C2=CC(=CC=C2)F Z1365425689 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.1 NCC1=CC=C(C=C1)C2=CC=NC=C2 Z756099180 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.1 O=CC1=CC=C(C=C1)C2=CC=CC=C2 Z104477048 [1,1,0,0,0,0|2,0,0]=4 67 B15R2.1 O=CC1=CC=C(C=C1)C2=CC=NC=C2 Z756099106 [1,1,0,0,0,0|1,0,0]=3 68 B15R2.1 O=CC1=NC=C(C=C1)C2=CC=CC=C2 Z1198279782 [1,1,0,0,0,0|1,0,1]=4 69 B15R2.3 O=C1C=CC(=NN1)C2=CC=C(C=C2)Cl Z432063072 [1,1,0,0,0,0|2,0,0]=4 70 B15R2.3 O=C1C=CC(=NN1)C2=CC=C(C=C2)F Z432063102 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.308 NC1=C(C=CN=C1)C2=CC=C(C=C2)F Z1486027847 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.308 O=C1C=CC(=NN1)C2=C(C=CC=C2)F Z432063100 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.389 CC1=C(C=CC(=C1)N)C2=CC=NC=C2 Z756099094 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.389 CC1=CC(=O)NN=C1C2=CC=CC=C2 Z1013742932 [1,1,0,0,0,0|2,0,0]=4 75 B17R2.1933 CC1=C(C=C(C(=O)N1)C#N)C2=CC=NC=C2 Z1501480412 [0,2,0,0,0,0|0,0,1]=3 76 B17R2.18 NNC1=CC(=NNC1=O)C2=CC=C(C=C2)Cl Z235352947 [0,2,0,0,0,0|2,0,0]=4 77 B17R2.10468 NNC1=CC(=NNC1=O)C2=C(C=CC=C2)Cl Z235352963 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.14951 NC(=O)C1=CC(=O)C2=C(N1)C=CC=C2 Z394695232 [0,0,1,1,0,0|2,0,0]=4 79 B13R2.10 NC1=CC(=NN1)C2=CC=NC=C2 Z381217184 [1,0,0,0,1,0|1,0,0]=3 80 B13R2.10 NC1=CC(=NO1)C2=CC=NC=C2 Z381219862 [1,0,0,0,1,0|1,0,1]=4 81 B13R2.10 NC1=CN(N=C1)C2=CC=NC=C2 Z431560844 [1,0,0,0,1,0|1,0,1]=4 82 B13R2.10 NC1=NC(=CS1)C2=CC=NC=C2 Z56914823 [1,0,0,0,1,0|2,0,0]=4 83 B13R2.10 NC1=NC=C(S1)C2=CC=NC=C2 Z5256821507 [1,0,0,0,1,0|1,0,1]=4 84 B13R2.10 NC1=NN(C=C1)C2=CC=NC=C2 Z763574362 [1,0,0,0,1,0|2,0,0]=4 85 B13R2.13 NC1=CC(=CC=C1)C2=CC=CS2 Z300085968 [1,0,0,0,1,0|2,0,0]=4 86 B13R2.13 NC1=CC(=CC=C1)C2=CC=NN2 Z361993796 [1,0,0,0,1,0|2,0,0]=4 87 B13R2.13 NC1=CC(=CC=C1)C2=CC=NO2 Z339274974 [1,0,0,0,1,0|2,0,0]=4 88 B13R2.13 NC1=CC(=CC=C1)C2=CN=CO2 Z586253148 [1,0,0,0,1,0|2,0,0]=4 89 B13R2.13 NC1=CC(=CC=C1)C2=CNN=C2 Z1124713455 [1,0,0,0,1,0|2,0,0]=4 90 B13R2.13 NC1=CC(=CC=C1)C2=CSC=C2 Z1013702344 [1,0,0,0,1,0|2,0,0]=4 91 B13R2.13 NC1=CC(=CC=C1)N2C=CC=C2 Z111423526 [1,0,0,0,1,0|2,0,0]=4 92 B13R2.13 NC1=CC(=CC=C1)N2C=CN=C2 Z425799570 [1,0,0,0,1,0|2,0,0]=4 93 B13R2.13 NC1=CC(=CN=C1)C2=CC=CS2 Z1255421569 [1,0,0,0,1,0|1,0,1]=4 94 B13R2.13 NC1=CC(=CN=C1)C2=COC=C2 Z1258980861 [1,0,0,0,1,0|1,0,1]=4 95 B13R2.15 NC1=C(C=NN1)C2=CC=NC=C2 Z4907793234 [1,0,0,0,1,0|1,0,1]=4 96 B13R2.12 O=C1C=CC(=CN1)C2=NN=CO2 Z440813526 [1,0,0,0,1,0|2,0,0]=4 97 B13R2.12 O=C1C=CC(=NN1)C2=CC=CO2 Z432063108 [1,0,0,0,1,0|2,0,0]=4 98 B13R2.12 O=C1C=CC(=NN1)N2C=CN=C2 Z234896697 [1,0,0,0,1,0|2,0,0]=4 99 B15R2.31 ClC1=CC(=CC=C1)NC2=CC=NC=C2 Z1416158276 [1,0,0,0,0,1|2,0,0]=4 100 B15R2.31 IC1=CC(=CC=C1)OC2=CC=NC=C2 Z816022604 [1,0,0,0,0,1|2,0,0]=4 101 B15R2.31 NC1=CC(=CC=C1)NC2=CC=CC=C2 Z56941000 [1,0,0,0,0,1|2,0,0]=4 102 B15R2.31 NC1=CC(=CC=C1)OC2=CC=CC=C2 Z104476880 [1,0,0,0,0,1|2,0,0]=4 103 B15R2.31 NC1=CC(=CC=C1)OC2=CC=NC=C2 Z404012032 [1,0,0,0,0,1|1,0,0]=3 104 B15R2.31 NC1=CC(=CC=C1)SC2=CC=CC=C2 Z600393288 [1,0,0,0,0,1|2,0,0]=4 105 B15R2.31 OC1=CC(=CC=C1)OC2=CC=NC=C2 Z600416690 [1,0,0,0,0,1|2,0,0]=4 106 B15R2.31 OC1=CC(=CN=C1)CC2=CC=NC=C2 Z1575345248 [1,0,0,0,0,1|1,0,1]=4 107 B15R2.29 BrC1=CC=C(C=C1)OC2=CC=NC=C2 Z317257872 [1,0,0,0,0,1|2,0,0]=4 108 B15R2.29 FC1=CC=C(C=C1)SC2=CC=NC=C2 Z369730902 [1,0,0,0,0,1|2,0,0]=4 109 B15R2.29 NC1=CC=C(C=C1)CC2=CC=NC=C2 Z56755030 [1,0,0,0,0,1|2,0,0]=4 110 B15R2.29 NC1=CC=C(C=C1)OC2=CC=NC=C2 Z404011912 [1,0,0,0,0,1|2,0,0]=4 111 B15R2.29 NC1=CC=C(C=C1)SC2=CC=NC=C2 Z808246678 [1,0,0,0,0,1|2,0,0]=4 112 B15R2.29 O=C1C=CC(=NN1)OC2=CC=CC=C2 Z1862024690 [1,0,0,0,0,1|2,0,0]=4 113 B15R2.29 OC1=CC=C(C=C1)CC2=CC=NC=C2 Z1513816031 [1,0,0,0,0,1|1,0,1]=4 114 B15R2.29 OC1=CC=C(C=C1)NC2=CC=NC=C2 Z1251357826 [1,0,0,0,0,1|1,0,1]=4 115 B15R2.29 OC1=CC=C(C=C1)SC2=CC=NC=C2 Z733877538 [1,0,0,0,0,1|1,0,1]=4