0 B14R3.49 C1=CC2=C(C=C1)C3=C(N2)CCC3 Z57479476 [0,0,0,0,0,0|2,0,2]=4 1 B14R3.49 C1=CC2=C(C=C1)C3=CN=NN3C2 Z1255493961 [0,0,0,0,0,0|3,0,1]=4 2 B14R3.49 C1=CC2=C(C=C1)N3C=NN=C3S2 Z56791559 [0,0,0,0,0,0|3,0,1]=4 3 B14R3.49 C1=CC2=C(C=C1)N3CCCC3=N2 Z1198156372 [0,0,0,0,0,0|3,0,1]=4 4 B14R3.49 C1=CC2=C(C=C1)N3CCNC3=N2 Z56854350 [0,0,0,0,0,0|3,0,1]=4 5 B15R3.173 C[N+]1=C2SC=CN2C3=C1C=CC=C3 Z56791623 [0,1,0,0,0,0|2,0,1]=4 6 B15R3.2009 NC1=NC2=C(S1)CC3=C2C=CC=C3 Z240125452 [0,1,0,0,0,0|3,0,0]=4 7 B15R3.10083 O=C1CCC2=NC3=C(N12)C=CC=C3 Z56822198 [0,1,0,0,0,0|3,0,0]=4 8 B15R3.10083 O=C1CSC2=NC3=C(N12)C=CC=C3 Z56791219 [0,1,0,0,0,0|2,0,0]=3 9 B13R2.1 CNCC1=CSC2=C1C=CC=C2 Z415728090 [0,0,1,0,0,0|2,0,1]=4 10 B13R2.15 BrC1=CNN=C1C2=CC=CC=C2 Z815438332 [0,0,1,0,0,0|3,0,0]=4 11 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 Z1201618222 [0,0,1,0,0,0|2,0,0]=3 12 B13R2.15 NC1=C(C=NN1)C2=CC=CC=C2 Z57912392 [0,0,1,0,0,0|1,0,2]=4 13 B13R2.15 NC1=C(C=NO1)C2=CC=CC=C2 Z815305358 [0,0,1,0,0,0|0,1,2]=4 14 B13R2.15 OC1=CNN=C1C2=CC=CC=C2 Z4464308114 [0,0,1,0,0,0|3,0,0]=4 15 B13R2.15 OC1=NNC=C1C2=CC=CC=C2 Z1216819909 [0,0,1,0,0,0|2,0,0]=3 16 B13R2.18 BrC1=C(C=CC=C1)C2=NNC=C2 Z815437676 [0,0,1,0,0,0|3,0,0]=4 17 B13R2.18 BrC1=C(N=CC=C1)C2=CNN=C2 Z2528341941 [0,0,1,0,0,0|3,0,0]=4 18 B13R2.18 CC1=C(C=CC=C1)C2=CCNC2 Z1574940622 [0,0,1,0,0,0|2,0,1]=4 19 B13R2.18 CC1=C(C=CC=C1)C2=CNN=C2 Z1255416867 [0,0,1,0,0,0|2,0,0]=3 20 B13R2.18 FC1=C(C=CC=C1)C2=CCNC2 Z1262614248 [0,0,1,0,0,0|2,0,1]=4 21 B13R2.18 FC1=C(C=CC=C1)C2=CNC=N2 Z5197783771 [0,0,1,0,0,0|3,0,0]=4 22 B13R2.18 FC1=C(C=CC=C1)C2=CNN=N2 Z1216827977 [0,0,1,0,0,0|3,0,0]=4 23 B13R2.18 OC1=C(C=CC=C1)C2=CNN=C2 Z3770193454 [0,0,1,0,0,0|2,0,0]=3 24 B13R2.26 C=CCC1=NC2=C(N1)C=CC=C2 Z1465029498 [0,0,1,0,0,0|3,0,0]=4 25 B13R2.26 CCSC1=NC2=C(N1)C=CC=C2 Z53833332 [0,0,1,0,0,0|2,0,1]=4 26 B13R2.26 CCSC1=NC2=C(S1)C=CC=C2 Z19653777 [0,0,1,0,0,0|2,0,1]=4 27 B13R2.26 CNCC1=CC2=C(N1)C=CC=C2 Z951182360 [0,0,1,0,0,0|1,0,2]=4 28 B13R2.26 CNCC1=CC2=C(O1)C=CC=C2 Z102767382 [0,0,1,0,0,0|2,0,1]=4 29 B13R2.26 CNCC1=NC2=C(N1)C=CC=C2 Z235362791 [0,0,1,0,0,0|2,0,1]=4 30 B13R2.26 CNCC1=NC2=C(S1)C=CC=C2 Z94601322 [0,0,1,0,0,0|2,0,1]=4 31 B13R2.45 CN1C(=NC2=C1C=CC=C2)CN Z90121772 [0,0,1,0,0,0|2,0,1]=4 32 B13R2.45 CSC1=NC2=C(N1C)C=CC=C2 Z15478802 [0,0,1,0,0,0|2,0,1]=4 33 B13R2.45 CSC1=NC2=C(N1N)C=CC=C2 Z56798009 [0,0,1,0,0,0|3,0,0]=4 34 B13R2.45 NCC1=C(C2=C(S1)C=CC=C2)Br Z2934526529 [0,0,1,0,0,0|3,0,0]=4 35 B13R2.64 C1=CC=C(C=C1)CC2=CNC=C2 Z1198723699 [0,0,1,0,0,0|2,0,0]=3 36 B13R2.64 C1=CC=C(C=C1)CC2=CNC=N2 Z1262562584 [0,0,1,0,0,0|3,0,0]=4 37 B13R2.64 C1=CC=C(C=C1)CC2=CNN=C2 Z4958664297 [0,0,1,0,0,0|3,0,0]=4 38 B13R2.135 CC1=C(C2=C(N1)C=CC=C2)C=O Z57197606 [0,0,1,0,0,0|2,0,1]=4 39 B13R2.135 CC1=C(C2=C(O1)C=CC=C2)C=O Z56767617 [0,0,1,0,0,0|3,0,0]=4 40 B13R2.135 CC1=C(C2=C(S1)C=CC=C2)C=O Z1162445919 [0,0,1,0,0,0|3,0,0]=4 41 B13R2.135 CC1=C(C2=C(S1)C=CC=C2)CN Z3357888122 [0,0,1,0,0,0|2,0,1]=4 42 B13R2.135 CC1=C(N2C=CC=CC2=N1)C=O Z56792097 [0,0,1,0,0,0|3,0,0]=4 43 B13R2.135 CCN1C(=NC2=C1C=CC=C2)S Z56896246 [0,0,1,0,0,0|2,0,1]=4 44 B13R2.135 CN1N=C2C=CC=CC2=C1C=O Z1201620676 [0,0,1,0,0,0|3,0,0]=4 45 B13R2.135 N/N=C\1/C(=O)NC2=C1C=CC=C2 Z56788834 [0,0,1,0,0,0|1,1,1]=4 46 B13R2.135 NCC1=C(SC2=C1C=CC=C2)Br Z4601667795 [0,0,1,0,0,0|2,0,1]=4 47 B13R2.135 O=CC1=C(N=C2N1C=CC=C2)Cl Z56792098 [0,0,1,0,0,0|3,0,0]=4 48 B13R2.135 O=CC1=C(NC2=C1C=CC=C2)Cl Z89264872 [0,0,1,0,0,0|2,0,1]=4 49 B13R2.135 O=CC1=C(OC2=C1C=CC=C2)Cl Z336080876 [0,0,1,0,0,0|3,0,0]=4 50 B13R2.135 O=CC1=C(SC2=C1C=CC=C2)Br Z1939450369 [0,0,1,0,0,0|3,0,0]=4 51 B15R3.3 C1=CC2=C(C=C1)C3=C(C2)C=CC=C3 Z57127470 [0,0,0,0,0,1|3,0,0]=4 52 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)C=CC=C3 Z104472702 [0,0,0,0,0,1|2,0,1]=4 53 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)C=CC=N3 Z1255388395 [0,0,0,0,0,1|2,0,1]=4 54 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CCNC3 Z203053856 [0,0,0,0,0,1|1,0,2]=4 55 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)CNCC3 Z1526503389 [0,0,0,0,0,1|1,0,2]=4 56 B15R3.3 C1=CC2=C(C=C1)C3=C(N2)N=CC=C3 Z3234909647 [0,0,0,0,0,1|2,0,1]=4 57 B15R3.3 C1=CC2=C(C=C1)C3=C(O2)C=CC=C3 Z57127512 [0,0,0,0,0,1|3,0,0]=4 58 B15R3.3 C1=CC2=C(C=C1)C3=C(S2)C=CC=C3 Z104477204 [0,0,0,0,0,1|3,0,0]=4 59 B15R3.1739 C1=CC2=C(C=C1)C3=NNC=C3CC2 Z3227034312 [0,0,0,0,0,1|3,0,0]=4 60 B15R3.4266 C1=CC2=NC3=C(N=C2C=C1)NN=C3 Z1255361208 [0,0,0,0,0,1|1,0,1]=3 61 B12R2.1 C=CN1C=NC2=C1C=CC=C2 Z87001578 [1,0,1,0,0,0|2,0,0]=4 62 B12R2.1 NCC1=C2C=CC=CN2N=C1 Z2065464373 [1,0,1,0,0,0|1,0,1]=4 63 B12R2.1 NCC1=CN=C2N1C=CC=C2 Z3234882063 [1,0,1,0,0,0|1,0,1]=4 64 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [1,0,1,0,0,0|1,0,1]=4 65 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [1,0,1,0,0,0|1,1,0]=4 66 B12R2.1 O=CC1=C2C=CC=CN2N=C1 Z1123806715 [1,0,1,0,0,0|1,1,0]=4 67 B12R2.1 O=CC1=CN=C2N1C=CC=C2 Z727564760 [1,0,1,0,0,0|1,1,0]=4 68 B12R2.1 O=CC1=CNC2=C1C=CC=C2 Z56785575 [1,0,1,0,0,0|0,1,1]=4 69 B12R2.1 O=CC1=COC2=C1C=CC=C2 Z1197879644 [1,0,1,0,0,0|1,1,0]=4 70 B12R2.1 O=CC1=CSC2=C1C=CC=C2 Z199535912 [1,0,1,0,0,0|1,1,0]=4 71 B12R2.2 C1=CC(=CN=C1)C2=CNN=C2 Z2867273019 [1,0,1,0,0,0|2,0,0]=4 72 B12R2.2 C1=CC(=CN=C1)C2=CSC=C2 Z1198170949 [1,0,1,0,0,0|2,0,0]=4 73 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [1,0,1,0,0,0|1,0,1]=4 74 B12R2.2 C1=CC=C(C=C1)C2=CNN=C2 Z56940955 [1,0,1,0,0,0|1,0,0]=3 75 B12R2.2 C1=CN=C(C=C1)C2=CNC=C2 Z575764746 [1,0,1,0,0,0|2,0,0]=4 76 B12R2.2 C1=CN=C(C=C1)C2=CNN=C2 Z5388738634 [1,0,1,0,0,0|2,0,0]=4 77 B12R2.32 CNC1=NC2=C(N1)C=CC=C2 Z56767838 [1,0,1,0,0,0|1,0,1]=4 78 B12R2.32 CNC1=NC2=C(O1)C=CC=C2 Z235341203 [1,0,1,0,0,0|1,0,1]=4 79 B12R2.32 CNC1=NC2=C(S1)C=CC=C2 Z235344695 [1,0,1,0,0,0|1,0,1]=4 80 B12R2.32 CSC1=NC2=C(N1)C=CC=C2 Z53833331 [1,0,1,0,0,0|1,0,1]=4 81 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 Z2106601624 [1,0,1,0,0,0|1,0,1]=4 82 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 Z57206121 [1,0,1,0,0,0|2,0,0]=4 83 B12R2.32 NCC1=CN2C=CC=CC2=N1 Z90668419 [1,0,1,0,0,0|2,0,0]=4 84 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 Z104479710 [1,0,1,0,0,0|2,0,0]=4 85 B12R2.32 NCC1=NC2=C(O1)C=CC=C2 Z2106602610 [1,0,1,0,0,0|2,0,0]=4 86 B12R2.32 NCC1=NC2=C(S1)C=CC=C2 Z166630948 [1,0,1,0,0,0|2,0,0]=4 87 B12R2.32 NNC1=NC2=C(N1)C=CC=C2 Z57087494 [1,0,1,0,0,0|2,0,0]=4 88 B12R2.32 NNC1=NC2=C(O1)C=CC=C2 Z56801289 [1,0,1,0,0,0|2,0,0]=4 89 B12R2.32 NNC1=NC2=C(S1)C=CC=C2 Z56756340 [1,0,1,0,0,0|2,0,0]=4 90 B12R2.18 CC1=NC2=C(N1N)C=CC=C2 Z119919218 [1,0,1,0,0,0|2,0,0]=4 91 B12R2.18 CN1C(=NC2=C1C=CC=C2)S Z56891250 [1,0,1,0,0,0|1,0,1]=4 92 B12R2.18 CN1N=C2C=CC=CC2=C1N Z4958191038 [1,0,1,0,0,0|2,0,0]=4 93 B12R2.18 NC1=NC2=C(N1N)C=CC=C2 Z56788891 [1,0,1,0,0,0|2,0,0]=4 94 B14R2.95 CNC(=O)C1=CNC2=C1C=CC=C2 Z234895483 [0,1,1,0,0,0|1,0,1]=4 95 B14R2.95 CNC(=O)C1=CSC2=C1C=CC=C2 Z203065944 [0,1,1,0,0,0|2,0,0]=4 96 B14R2.95 CNC(=O)N1C=NC2=C1C=CC=C2 Z1509163297 [0,1,1,0,0,0|2,0,0]=4 97 B14R2.95 NNC(=O)C1=CNC2=C1C=CC=C2 Z56955973 [0,1,1,0,0,0|1,0,1]=4 98 B14R2.95 O=C(NO)C1=CNC2=C1C=CC=C2 Z88293955 [0,1,1,0,0,0|0,1,1]=4 99 B14R2.14 N#CC1=CNC=C1C2=CC=CC=C2 Z1198155843 [0,1,1,0,0,0|1,0,1]=4 100 B14R2.14 O=CC1=NNC=C1C2=CC=CC=C2 Z586251400 [0,1,1,0,0,0|2,0,0]=4 101 B14R2.269 NC1=NNC=C1C2=CC(=CC=C2)F Z3221691129 [0,1,1,0,0,0|1,0,1]=4 102 B14R2.277 CC1=NNC(=C1C2=CC=CC=C2)N Z57683679 [0,1,1,0,0,0|2,0,0]=4 103 B14R2.598 CN1C=C(C(=N1)N)C2=CC=CC=C2 Z1262627267 [0,1,1,0,0,0|1,0,1]=4 104 B14R2.926 OC1=NNC=C1C2=CC=C(C=C2)Br Z2751343387 [0,1,1,0,0,0|2,0,0]=4 105 B14R2.98 O=CC1=C(C=CC=C1)C2=CSC=C2 Z1201622735 [0,1,1,0,0,0|2,0,0]=4 106 B14R2.256 CN1C=C(C=N1)C2=C(C=CC=C2)Cl Z1251359841 [0,1,1,0,0,0|2,0,0]=4 107 B14R2.306 CC1=C(C=C(C=C1)N)C2=CSC=C2 Z2755163882 [0,1,1,0,0,0|2,0,0]=4 108 B14R2.739 NC1=CC(=C(C=C1)C2=CNN=C2)Cl Z4082874548 [0,1,1,0,0,0|2,0,0]=4 109 B14R2.67 C=CCSC1=NC2=C(N1)C=CC=C2 Z54336807 [0,1,1,0,0,0|2,0,0]=4 110 B14R2.72 OC1=CC=C(C=C1)CC2=CC=CS2 Z1513807995 [0,1,1,0,0,0|2,0,0]=4 111 B14R2.642 CN1N=C2C=CC=CC2=C1C(=N)N Z2903677136 [0,1,1,0,0,0|2,0,0]=4 112 B14R2.642 CN1N=C2C=CC=CC2=C1C(=O)N Z1724114279 [0,1,1,0,0,0|2,0,0]=4 113 B16R3.3329 O=C1NC=NC2=C1OC3=C2C=CC=C3 Z62452555 [0,1,0,0,0,1|2,0,0]=4 114 B16R3.3329 O=C1NN=CC2=C1NC3=C2C=CC=C3 Z235362551 [0,1,0,0,0,1|1,0,1]=4 115 B16R3.3329 O=C1NN=CC2=C1OC3=C2C=CC=C3 Z1198269757 [0,1,0,0,0,1|2,0,0]=4 116 B16R3.27838 O=C1NC=NC2=C1C3=C(N2)C=CC=C3 Z1255488551 [0,1,0,0,0,1|1,0,1]=4 117 B16R3.13490 O=C1NC2=C(C=CS2)C3=C1C=CC=C3 Z1269205479 [0,1,0,0,0,1|1,0,1]=4 118 B16R3.17428 CN1N=CC2=C1N=C3C=CC=CC3=C2 Z56935404 [0,1,0,0,0,1|1,0,1]=4 119 B16R3.17428 NC1=NNC2=C1C=C3C=CC=CC3=N2 Z57164775 [0,1,0,0,0,1|1,0,1]=4 120 B16R3.17428 O=C1NCC2=C1N=C3C=CC=CC3=C2 Z1509143160 [0,1,0,0,0,1|1,0,1]=4 121 B14R2.112 N/N=C/C1=NC2=C(C=CC=C2)N=C1 Z2583440170 [0,0,1,0,0,1|1,0,1]=4 122 B14R2.92 CSC1=C(C2=C(C=CC=C2)N=C1)Cl Z1278923835 [0,0,1,0,0,1|2,0,0]=4 123 B14R2.1019 CC1=C2C=CC=CC2=NC(=N1)CN Z993055580 [0,0,1,0,0,1|1,0,1]=4 124 B14R2.1019 NCC1=NC2=C(C=CC=C2)C(=C1)O Z2718761409 [0,0,1,0,0,1|2,0,0]=4 125 B14R2.1128 CSC1=C(N=C2C=CC=CC2=N1)C Z275686238 [0,0,1,0,0,1|1,0,1]=4 126 B14R2.101 C1=CC=C(C=C1)/N=C/C2=CSC=C2 Z54090420 [0,0,1,0,0,1|2,0,0]=4 127 B14R2.101 C1=CC=C(C=C1)COC2=NNC=C2 Z2235789778 [0,0,1,0,0,1|2,0,0]=4 128 B14R2.1146 CC1=NC2=C(C=CC=C2)C(=C1)C=O Z1079442348 [0,0,1,0,0,1|2,0,0]=4 129 B14R2.1146 CC1=NC2=C(C=CC=C2)C(=C1)CN Z381785612 [0,0,1,0,0,1|1,0,1]=4 130 B14R2.1146 CNC1=C2C=CC=CC2=NC(=N1)S Z57046981 [0,0,1,0,0,1|2,0,0]=4 131 B16R3.1720 C1=CC2=NC3=C(C=CC=C3)N=C2C=C1 Z104474738 [0,0,0,0,0,2|2,0,0]=4