0 B14R2.8239 NC1=C(Cl)N=C2C=C(Br)C=CC2=C1 AT13210 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.155 CC1=CC=C2C=CC(N)=NC2=C1 98094 [1,0,0,0,0,0|1,0,1]=3 2 B13R2.155 CC1=NC2=CC(N)=CC=C2C=C1 AT13264 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.155 CC1=NC=C2C=CC(Br)=CC2=C1 D79825 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.155 NC1=CC=C2C=CC(Br)=CC2=C1 AT10621 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.155 O=C1C=CC2=CN=C(Br)C=C2N1 F30751 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.155 O=C1C=CC2=CN=C(F)C=C2N1 F30754 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.369 CC1=CC2=CC=CC=C2C=C1N D88160 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.3683 CC1=CC=C2C=C(Br)C=NC2=N1 AC8565 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.3683 CC1=CC=C2N=C(O)C=CC2=N1 89272 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.3683 FC1=CN=C2C=C(Cl)C=CC2=C1 AT16383 [1,0,0,0,0,0|2,0,1]=4 12 B13R2.3683 OC1=CN=C2C=C(Br)C=NC2=C1 K10128 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.3683 OC1=CN=C2C=C(Cl)C=NC2=C1 K10131 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.3683 OC1=CN=C2C=C(F)C=NC2=C1 K10132 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.3683 OC1=NN=C2C=C(Br)C=CC2=C1 AT20864 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.1007 CN1C(=O)C(N)=CC2=CN=C(Cl)C=C21 AT15848 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.1754 O=CC1=CC2=C(C=C(Br)C=C2)NC1=O AT24321 [0,1,0,0,0,0|1,0,1]=3 18 B15R2.1754 O=CC1=CC2=C(C=C(Cl)C=C2)NC1=O AT24323 [0,1,0,0,0,0|1,0,1]=3 19 B15R2.21336 COC1=CC2=C(C=C1)N=C(Cl)C(=O)N2 C91180 [0,1,0,0,0,0|2,0,0]=3 20 B15R2.21336 CSC1=NC2=C(C=N1)C=C(C)C(=O)N2 P13975 [0,1,0,0,0,0|3,0,0]=4 21 B15R2.59733 OC1=CC2=C(Cl)C=C(Br)C=C2C=C1Br D75985 [0,1,0,0,0,0|3,0,0]=4 22 B13R1.148 CC1=CC=CC(CC(=O)C(=O)O)=C1 C92166 [0,0,1,0,0,0|2,0,0]=3 23 B13R2.3028 O=C1SC2=C(C=C(Cl)C=C2)C1=O AT25623 [0,0,0,0,1,0|2,0,1]=4 24 B13R2.5190 CC1=CC2=C(C=C1)[C@H](N)C(=O)N2 W10069 [0,0,0,0,1,0|1,0,1]=3 25 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 C75569 [0,0,0,0,1,0|3,0,0]=4 26 B12R1.21 O=C(O)\C=C\C1=CC=C(I)C=C1 D74777 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.127 CC1=CC(CC(=O)O)=C(I)C=C1 AT25201 [1,0,1,0,0,0|2,0,0]=4 28 B12R2.24 IC1=CC2=NC=CC=C2C=C1 F13952 [2,0,0,0,0,0|1,0,1]=4 29 B12R2.24 OC1=CC2=NC=CC=C2N=C1 F53687 [2,0,0,0,0,0|1,0,1]=4 30 B12R2.24 [2H]C1=CC2=CC=CC=C2N=C1 AC4553 [2,0,0,0,0,0|1,0,1]=4 31 B12R2.24 [2H]C1=CC=C2C=CC=NC2=C1 AC4557 [2,0,0,0,0,0|1,0,1]=4 32 B12R2.24 [2H]C1=NC2=CC=CC=C2C=C1 AC4552 [2,0,0,0,0,0|1,0,1]=4 33 B14R2.134 CC1=CC=C2C=CC(C#N)=CC2=C1 AC9023 [1,1,0,0,0,0|2,0,0]=4 34 B14R2.134 CC1=CC=C2C=CC(CBr)=CC2=C1 91802 [1,1,0,0,0,0|2,0,0]=4 35 B14R2.134 CC1=CC=C2C=CC(CO)=CC2=C1 91804 [1,1,0,0,0,0|1,0,1]=4 36 B14R2.134 COC1=CC2=C(C=C1)NCC(=O)N2 AT16885 [1,1,0,0,0,0|1,0,1]=4 37 B14R2.134 O=CC1=NC2=CC(O)=CC=C2C=C1 AT13267 [1,1,0,0,0,0|1,0,1]=4 38 B14R2.4513 O=C1C=CC2=CC=C(F)C(Br)=C2N1 D73567 [1,1,0,0,0,0|1,0,0]=3 39 B14R2.29365 CC1=CC(Br)=C2NCC(=O)NC2=C1 C92876 [1,1,0,0,0,0|1,0,1]=4 40 B14R2.29365 NC1=CC(F)=CC2=C1C=CC(=O)N2 57859 [1,1,0,0,0,0|1,0,0]=3 41 B14R2.29365 O=C1C=CC2=C(Br)C=C(F)C=C2N1 57861 [1,1,0,0,0,0|1,0,0]=3 42 B14R2.1128 N#CC1=NC2=C(C=CC=C2)NC1=O E70195 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.28472 CC1=CC2=C(NC1=O)C(Cl)=NC=C2 D73553 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.28472 CC1=CC2=CC=CC(Br)=C2NC1=O D73563 [1,1,0,0,0,0|1,0,0]=3 45 B14R2.28472 CC1=CC=CC2=C1NC(=O)C(=O)N2 F31282 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.2332 CC1=CC=C2C=C(CO)C=CC2=C1 AT10299 [1,1,0,0,0,0|1,0,0]=3 47 B14R2.2332 COC1=CC2=CC=C(N)C=C2N=C1 K10179 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.2332 [2H]C1=CC=C2C=C(OC)C=CC2=C1 AC6596 [1,1,0,0,0,0|2,0,0]=4 49 B14R2.29369 OC1=CN=C2C(=C1)C=CC(F)=C2F 73639 [1,1,0,0,0,0|1,0,1]=4 50 B16R2.1461 COC1=C(C=O)C=C2C=C(Br)C=CC2=C1 97913 [0,2,0,0,0,0|2,0,0]=4 51 B14R2.4529 CC(=O)C1=CC2=C(C=C(Br)C=C2)O1 D73260 [0,0,1,1,0,0|2,0,0]=4 52 B14R2.4529 CC(=O)C1=CC2=C(C=C(C)C=C2)O1 D73256 [0,0,1,1,0,0|1,0,0]=3 53 B14R2.4529 CC(=O)C1=CC2=C(C=C(F)C=C2)O1 D73263 [0,0,1,1,0,0|2,0,0]=4 54 B12R2.606 CC1=CC2=C(C=N1)CC(=O)N2 D72985 [1,0,0,0,1,0|1,0,1]=4 55 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O C14907 [1,0,0,0,1,0|1,0,1]=4