0 B11R2.2 C1=CC(=CS1)C2=CNN=C2 Z1198158858 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.2 C1=CC(=CS1)C2=NNN=N2 Z104341236 [0,0,0,0,0,0|3,0,0]=3 2 B11R2.2 C1=CC(=NN1)C2=CSC=C2 Z954552548 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.2 C1=CN(C=C1)C2=CNN=C2 Z431547710 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.2 C1=CNC(=N1)C2=CNN=C2 Z3271379694 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.2 C1=COC(=C1)C2=NN=NN2 Z235344761 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.2 C1=COC(=C1)C2=NNC=C2 Z815437680 [0,0,0,0,0,0|4,0,0]=4 7 B11R2.2 C1=CSC(=C1)C2=NNC=C2 Z111781382 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.2 C1=CSC(=C1)C2=NNN=N2 Z85921965 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.2 C1=CSC(=N1)C2=NNC=C2 Z1198150620 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.2 C1=NC(=CS1)C2=NNN=N2 Z2831778224 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.2 C1=NC=C(S1)C2=NNN=N2 Z2831778223 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.2 C1=NNC=C1C2=CNN=C2 Z56920111 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.6 CC1=NC(=CS1)C2=CNC=C2 Z1733732890 [0,1,0,0,0,0|2,0,0]=3 14 B12R2.6 CC1=NOC(=N1)C2=CNC=N2 Z4224405299 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.6 CN1C=C(C=N1)C2=CNC=C2 Z1733732889 [0,1,0,0,0,0|2,0,0]=3 16 B12R2.6 CN1C=C(C=N1)C2=NNN=N2 Z2831778233 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.6 CN1C=CC(=N1)C2=CNN=C2 Z3464836460 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.6 NC1=CC(=NN1)C2=CSC=C2 Z317042228 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.6 NC1=CC(=NO1)C2=CC=CO2 Z85918824 [0,1,0,0,0,0|3,0,0]=4 20 B12R2.6 NC1=CC(=NO1)C2=CC=CS2 Z255150032 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.6 NC1=CC(=NO1)C2=CSC=C2 Z335439000 [0,1,0,0,0,0|2,0,0]=3 22 B12R2.6 NC1=NOC(=N1)C2=COC=C2 Z1147462976 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.6 NC1=NOC(=N1)C2=CSC=C2 Z1147463067 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.10 NC1=NON=C1C2=CSC=C2 Z3182289381 [0,1,0,0,0,0|1,0,0]=2 25 B12R2.2 C1=CC(=CC=N1)C2=CN=CO2 Z1201618990 [0,0,0,0,0,1|2,0,1]=4 26 B12R2.2 C1=CC(=CC=N1)C2=CNC=N2 Z1126749700 [0,0,0,0,0,1|1,0,2]=4 27 B12R2.2 C1=CC(=CC=N1)C2=CSC=N2 Z1255497812 [0,0,0,0,0,1|2,0,1]=4 28 B12R2.2 C1=CC(=CC=N1)C2=NNN=N2 Z1623872269 [0,0,0,0,0,1|2,0,1]=4 29 B12R2.2 C1=CC(=CC=N1)N2C=NC=N2 Z3379686246 [0,0,0,0,0,1|2,0,1]=4 30 B12R2.2 C1=CC(=CN=C1)C2=CNC=N2 Z2574925769 [0,0,0,0,0,1|1,0,2]=4 31 B12R2.2 C1=CC(=CN=C1)C2=CNN=C2 Z2867273019 [0,0,0,0,0,1|2,0,1]=4 32 B12R2.2 C1=CC(=CN=C1)C2=CSC=C2 Z1198170949 [0,0,0,0,0,1|3,0,0]=4 33 B12R2.2 C1=CC(=CN=C1)C2=NNN=N2 Z85921969 [0,0,0,0,0,1|2,0,1]=4 34 B12R2.2 C1=CC(=NC=N1)C2=CNN=C2 Z1201621762 [0,0,0,0,0,1|2,0,0]=3 35 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 Z1201618668 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.2 C1=CC=C(C=C1)C2=CN=NN2 Z2798585249 [0,0,0,0,0,1|2,0,1]=4 37 B12R2.2 C1=CC=C(C=C1)C2=CN=NS2 Z1198147414 [0,0,0,0,0,1|3,0,0]=4 38 B12R2.2 C1=CC=C(C=C1)C2=CNN=C2 Z56940955 [0,0,0,0,0,1|3,0,0]=4 39 B12R2.2 C1=CC=C(C=C1)C2=NNN=N2 Z56887706 [0,0,0,0,0,1|3,0,0]=4 40 B12R2.2 C1=CC=C(C=C1)N2C=NC=N2 Z1198156169 [0,0,0,0,0,1|3,0,0]=4 41 B12R2.2 C1=CN(C=N1)C2=CN=CN=C2 Z1343129835 [0,0,0,0,0,1|2,0,1]=4 42 B12R2.2 C1=CN=C(C=C1)C2=CNC=C2 Z575764746 [0,0,0,0,0,1|2,0,0]=3 43 B12R2.2 C1=CN=C(C=C1)C2=CNC=N2 Z1198180370 [0,0,0,0,0,1|2,0,1]=4 44 B12R2.2 C1=CN=C(C=C1)C2=CNN=C2 Z5388738634 [0,0,0,0,0,1|3,0,0]=4 45 B12R2.2 C1=CN=C(C=C1)C2=CNN=N2 Z5458431771 [0,0,0,0,0,1|2,0,1]=4 46 B12R2.2 C1=CN=C(C=C1)C2=NNN=N2 Z1259155958 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.2 C1=CN=C(C=N1)C2=CNN=C2 Z5523430091 [0,0,0,0,0,1|2,0,0]=3 48 B12R2.2 C1=CN=C(C=N1)C2=NNC=C2 Z1198162976 [0,0,0,0,0,1|2,0,0]=3 49 B12R2.2 C1=CN=C(N=C1)C2=CNN=C2 Z5773070995 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.2 C1=NC=C(C=N1)C2=NNN=N2 Z2831778833 [0,0,0,0,0,1|2,0,1]=4 51 B12R2.2 C1=NC=NC(=C1)C2=NNN=N2 Z2230911301 [0,0,0,0,0,1|2,0,1]=4 52 B9R1.11 COC(=O)C1=CNC=C1 Z1203730919 [1,0,1,0,0,0|2,0,0]=4 53 B9R1.11 N/C(=N\O)/C1=CSC=C1 Z99601364 [1,0,1,0,0,0|1,0,1]=4 54 B13R2.10 NC1=CC(=NO1)C2=CC=CC=C2 Z164676856 [0,1,0,0,0,1|2,0,0]=4 55 B13R2.10 NC1=CC(=NO1)C2=CC=NC=C2 Z381219862 [0,1,0,0,0,1|1,0,1]=4 56 B13R2.10 NC1=CC(=NO1)C2=CN=CC=C2 Z381221262 [0,1,0,0,0,1|1,0,1]=4 57 B13R2.12 BrC1=CC=C(C=C1)C2=CON=C2 Z1551947616 [0,1,0,0,0,1|2,0,0]=4 58 B13R2.12 CC1=CC=C(C=C1)C2=NNN=C2 Z1255400292 [0,1,0,0,0,1|2,0,0]=4 59 B13R2.12 NC1=CC=C(C=C1)C2=NOC=C2 Z2901974733 [0,1,0,0,0,1|2,0,0]=4 60 B13R2.13 ClC1=CC(=CC=C1)C2=NOC=C2 Z1751982658 [0,1,0,0,0,1|2,0,0]=4 61 B13R2.13 ClC1=NC(=CC=N1)C2=COC=C2 Z1198234897 [0,1,0,0,0,1|2,0,0]=4 62 B13R2.13 ClC1=NC(=CC=N1)C2=CSC=C2 Z1255436870 [0,1,0,0,0,1|2,0,0]=4 63 B13R2.13 ClC1=NC=NC(=C1)C2=CSC=C2 Z1267674403 [0,1,0,0,0,1|2,0,0]=4 64 B13R2.13 NC1=CC(=CC=C1)C2=NOC=C2 Z2899597372 [0,1,0,0,0,1|2,0,0]=4 65 B13R2.15 BrC1=CNN=C1C2=NC=CN=C2 Z1205736334 [0,1,0,0,0,1|2,0,0]=4 66 B13R2.15 CC1=NON=C1C2=CC=CC=C2 Z1238570891 [0,1,0,0,0,1|1,0,0]=3 67 B13R2.15 NC1=C(C=NO1)C2=CC=CC=C2 Z815305358 [0,1,0,0,0,1|2,0,0]=4 68 B13R2.15 NC1=C(C=NO1)C2=CN=CC=C2 Z1198222546 [0,1,0,0,0,1|1,0,1]=4 69 B13R2.15 NC1=CON=C1C2=CC=CC=C2 Z3305978063 [0,1,0,0,0,1|2,0,0]=4 70 B13R2.15 NC1=NON=C1C2=CC=CC=C2 Z275367794 [0,1,0,0,0,1|1,0,0]=3 71 B13R2.15 NC1=NON=C1C2=NC=CC=C2 Z316122762 [0,1,0,0,0,1|1,0,0]=3 72 B13R2.3042 CC1=NOC(=C1C2=CNC=N2)C Z2466249459 [0,2,0,0,0,0|2,0,0]=4 73 B13R2.3042 CC1=NOC(=C1C2=CNN=C2)C Z4968726116 [0,2,0,0,0,0|2,0,0]=4 74 B11R2.106 BrC1=C2C=CNC2=CN=C1 Z1255357182 [0,0,1,1,0,0|2,0,0]=4 75 B11R2.106 BrC1=C2C=CNC2=NC=N1 Z1198178310 [0,0,1,1,0,0|2,0,0]=4 76 B11R2.106 BrC1=CC=CC2=NON=C12 Z1198638843 [0,0,1,1,0,0|2,0,0]=4 77 B11R2.106 ClC1=C2C=CNC2=NC=N1 Z857668178 [0,0,1,1,0,0|2,0,0]=4 78 B11R2.106 ClC1=CC=CC2=NON=C12 Z1255442611 [0,0,1,1,0,0|2,0,0]=4 79 B11R2.106 FC1=CC=CC2=NON=C12 Z1198162619 [0,0,1,1,0,0|2,0,0]=4 80 B11R2.106 NC1=CC=CC2=NON=C12 Z275128438 [0,0,1,1,0,0|2,0,0]=4 81 B13R2.3 C1=CC=C(C=C1)C2=NC=CN=C2 Z1198157296 [0,0,0,0,0,2|2,0,0]=4 82 B13R2.3 C1=CN=C(C=C1)C2=NC=NC=C2 Z1618100591 [0,0,0,0,0,2|2,0,0]=4 83 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [2,0,1,0,0,0|1,0,0]=4 84 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [1,1,1,0,0,0|1,0,0]=4 85 B14R2.1 N#CC1=NC=C(C=N1)C2=CNC=C2 Z4502340412 [0,2,0,0,0,1|1,0,0]=4 86 B14R2.926 CC1=CC=C(C=C1)C2=NON=C2N Z57469736 [0,2,0,0,0,1|1,0,0]=4 87 B14R2.926 NC1=NON=C1C2=CC=C(C=C2)Br Z992248566 [0,2,0,0,0,1|1,0,0]=4 88 B14R2.926 NC1=NON=C1C2=CC=C(C=C2)F Z992248572 [0,2,0,0,0,1|1,0,0]=4 89 B14R2.269 CC1=CC(=CC=C1)C2=NON=C2N Z992248548 [0,2,0,0,0,1|1,0,0]=4 90 B14R2.269 NC1=NON=C1C2=CC(=CC=C2)Br Z992248544 [0,2,0,0,0,1|1,0,0]=4 91 B14R2.269 NC1=NON=C1C2=CC(=CC=C2)Cl Z992248562 [0,2,0,0,0,1|1,0,0]=4 92 B14R2.296 CC1=C(C=CC=C1)C2=NON=C2N Z992248560 [0,2,0,0,0,1|1,0,0]=4 93 B14R2.296 NC1=NON=C1C2=C(C=CC=C2)F Z992248534 [0,2,0,0,0,1|1,0,0]=4 94 B10R2.7 C1=CC2=C(C=C1)N=[Se]=N2 Z56941035 [1,0,1,1,0,0|0,1,0]=4 95 B10R2.7 C1=CC2=C(C=C1)ON=C2 Z220335556 [1,0,1,1,0,0|1,0,0]=4 96 B10R2.7 C1=CC2=C(C=CN2)C=N1 Z1079456082 [1,0,1,1,0,0|1,0,0]=4 97 B10R2.7 C1=CC2=C(C=N1)NC=C2 Z871773918 [1,0,1,1,0,0|1,0,0]=4 98 B10R2.7 C1=CC2=C(N1)N=CN=C2 Z1741974263 [1,0,1,1,0,0|1,0,0]=4 99 B10R2.7 C1=CC2=C(N=C1)NC=C2 Z271099378 [1,0,1,1,0,0|1,0,0]=4 100 B10R2.7 C1=CC2=C(N=N1)NC=C2 Z1198313815 [1,0,1,1,0,0|0,0,0]=3 101 B10R2.7 C1=CC2=NSN=C2C=C1 Z56893124 [1,0,1,1,0,0|0,1,0]=4 102 B12R2.44 NCC1=CC2=NON=C2C=C1 Z2900166943 [0,0,1,1,0,1|0,0,1]=4 103 B12R2.44 O=CC1=CC2=NON=C2C=C1 Z1201620890 [0,0,1,1,0,1|1,0,0]=4 104 B12R2.315 NCC1=CC=CC2=NON=C12 Z3950951472 [0,1,1,1,0,0|0,0,1]=4 105 B12R2.315 O=CC1=CC=CC2=NON=C12 Z1201624165 [0,1,1,1,0,0|1,0,0]=4