0 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 B030293 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.328 NC1=CC(Br)=CC2=CC=CN=C12 B048496 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 O=C1NC(=S)NC2=CC=CC=C12 B049692 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.1081 ClC1=NC=NC2=CC=CC=C21 B039416 [1,0,0,0,0,0|1,0,0]=2 4 B12R2.1081 OC1=NC=NC2=C1C=CC=C2 B047245 [1,0,0,0,0,0|1,0,0]=2 5 B12R2.1081 SC1=NC=NC2=C1C=CC=C2 B016343 [1,0,0,0,0,0|1,0,0]=2 6 B14R2.1019 O=C1NC(CCl)=NC2=CC=CC=C12 B049389 [0,1,0,0,0,0|2,0,1]=4 7 B14R2.1146 CC1=NC2=C(C=CC=C2)C(C#N)=C1 B049333 [0,1,0,0,0,0|2,0,1]=4 8 B14R2.1146 CC1=NC2=C(C=CC=C2)C(CN)=C1 B049337 [0,1,0,0,0,0|2,0,0]=3 9 B14R2.8045 CC1=CC=CC2=C1N=C(C)C=C2Cl B050585 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.8045 CC1=CC=CC2=C1N=C(C)C=C2O B050487 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.8188 CN1C(=O)C2=CC=CC=C2N=C1S B020693 [0,1,0,0,0,0|2,0,1]=4 12 B14R2.8188 NN1C(=O)C2=CC=CC=C2N=C1S B020621 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.8235 CC1=CC(O)=NC2=C1C=C(N)C=C2 B028519 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.8235 CC1=CC2=C(C=C1)N=C(C)C=C2Cl B050690 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.8235 CC1=CC2=C(C=C1)N=C(C)C=C2O B050406 [0,1,0,0,0,0|3,0,0]=4 16 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 B000495 [0,0,0,0,1,0|2,0,0]=3 17 B11R1.222 N\C(=N/O)C1=CC=CC=C1F B034860 [1,0,1,0,0,0|2,0,0]=4 18 B13R2.57 C(=O)C1=NC2=CC=CC=C2C=C1 B046312 [1,1,0,0,0,0|2,0,0]=4 19 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 B049270 [1,1,0,0,0,0|1,0,1]=4 20 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 B029665 [1,1,0,0,0,0|1,0,0]=3 21 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 B041296 [1,1,0,0,0,0|2,0,0]=4 22 B13R2.155 NC1=NC2=C(C=C1)C=CC(O)=N2 B050770 [1,1,0,0,0,0|2,0,0]=4 23 B13R2.1613 N#CC1=C2C=CC=CC2=CC=N1 B049269 [1,1,0,0,0,0|1,0,1]=4 24 B13R2.1613 NCC1=NC=CC2=CC=CC=C21 B049485 [1,1,0,0,0,0|1,0,0]=3 25 B13R2.45 N#CC1=C(N)C2=C(C=CC=C2)O1 B050460 [0,1,0,0,1,0|1,0,1]=4 26 B13R2.135 CCN1C(N)=NC2=C1C=CC=C2 B000434 [0,1,0,0,1,0|2,0,0]=4 27 B15R2.21243 CN1C(=O)C2=CC=CC=C2N=C1NN B020783 [0,2,0,0,0,0|1,0,1]=4 28 B15R2.21243 NNC1=NC2=CC=CC=C2C(=O)N1N B020691 [0,2,0,0,0,0|1,0,1]=4 29 B13R2.26 NCCC1=NC2=CC=CC=C2N1 B039401 [0,0,1,1,0,0|1,0,1]=4 30 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 B000316 [0,0,1,1,0,0|2,0,0]=4 31 B13R2.10 NC1=NN=C(C2=CC=CC=C2)S1 B014342 [0,0,1,1,0,0|1,0,1]=4 32 B13R2.10 O=C1C=C(C2=CC=CC=C2)NN1 B028741 [0,0,1,1,0,0|2,0,0]=4 33 B13R2.5569 O=C(O)C1=CC=CC2=C1N=CN2 B050560 [0,0,1,1,0,0|2,0,0]=4 34 B11R2.1 NC1=NNC2=C1C=CC=C2 B047143 [1,0,0,0,1,0|1,0,0]=3 35 B11R2.1 NC1=NNC2=NC=CC=C12 B040979 [1,0,0,0,1,0|2,0,0]=4 36 B11R2.10 ClC1=NC2=CC=CC=C2N1 B028974 [1,0,0,0,1,0|1,0,1]=4 37 B11R2.10 NC1=NC2=CC=CC=C2O1 B039652 [1,0,0,0,1,0|1,0,0]=3 38 B11R2.10 NC1=NN2C=CC=NC2=C1 B039119 [1,0,0,0,1,0|2,0,0]=4 39 B11R2.10 NC1=NN2C=CC=NC2=N1 B022919 [1,0,0,0,1,0|2,0,0]=4 40 B11R2.10 NC1=NN2C=CC=NC2=N1 B039059 [1,0,0,0,1,0|2,0,0]=4 41 B13R1.45 C\C(=N/NC(N)=O)C1=CC=CC=C1 B029846 [0,0,1,0,0,1|2,0,0]=4