0 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 4029774 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.3683 O=C1CCC2=CC(F)=CC=C2N1 4043551 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 4108320 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.24 NC1=CC=C2N=CC=NC2=C1 4100080 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.2332 O=CC1=NC2=CC=C(Cl)C=C2C=C1 4003791 [0,1,0,0,0,0|2,0,0]=3 6 B14R2.2332 O=CC1=NC2=CC=C(F)C=C2C=C1 4003789 [0,1,0,0,0,0|2,0,0]=3 7 B14R2.8235 CC1=CC(=O)NC2=C1C=C(Br)C=C2 6183322 [0,1,0,0,0,0|2,0,0]=3 8 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(Cl)C=C12 4040513 [0,1,0,0,0,0|3,0,0]=4 9 B14R2.8235 CC1=CC(Cl)=NC2=CC=C(F)C=C12 4033831 [0,1,0,0,0,0|3,0,0]=4 10 B14R2.8235 CC1=CC(N)=C2NC(=O)CCC2=C1 4039896 [0,1,0,0,0,0|1,0,2]=4 11 B14R2.8235 CC1=NC2=C(C=C(Br)C=C2)C(O)=C1 4031252 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(N)=C1 4029729 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(Cl)=C1 4043187 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 4023670 [0,0,1,0,0,0|2,0,1]=4 15 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 3015627 [0,0,1,0,0,0|2,0,1]=4 16 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 3001595 [0,0,1,0,0,0|1,0,1]=3 17 B12R1.226 NC1=CC(OCC(=O)O)=CC=C1 4027053 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,0,1,0,0,0|1,0,0]=2 19 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 3013974 [0,0,1,0,0,0|2,0,1]=4 20 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 5871696 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 4032446 [0,0,1,0,0,0|2,0,1]=4 22 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N 4028039 [0,0,1,0,0,0|2,0,1]=4 23 B12R2.606 BrC1=CC2=C(C=C1)SC(I)=C2 4108275 [0,0,0,0,1,0|2,1,0]=4 24 B12R2.606 CC1=CC2=C(C=C1)NC(Cl)=N2 4043856 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.606 CC1=CC2=C(C=C1)OC(N)=N2 4007276 [0,0,0,0,1,0|2,0,0]=3 26 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4013733 [0,0,0,0,1,0|2,0,0]=3 27 B12R2.606 CC1=CC=C2N=C(N)OC2=C1 4035547 [0,0,0,0,1,0|3,0,0]=4 28 B12R2.606 CC1=CC=C2NC(N)=NC2=C1 4036156 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 4035617 [0,0,0,0,1,0|1,0,0]=2 30 B12R2.606 CC1=NC2=CC(Br)=CC=C2O1 4003334 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 4021865 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.606 NC1=CC=C2NC(=O)OC2=C1 4031340 [0,0,0,0,1,0|3,0,0]=4 33 B12R2.606 NC1=NC2=CC(F)=CC=C2O1 4035497 [0,0,0,0,1,0|3,0,0]=4 34 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 4004197 [0,0,0,0,1,0|2,0,1]=4 35 B12R2.606 O=C1NC2=CC=C(F)C=C2O1 4041178 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 4003733 [0,0,0,0,1,0|2,0,0]=3 37 B12R2.612 CC1=CC2=C(C=C1)C(I)=NN2 4046881 [0,0,0,0,1,0|3,0,0]=4 38 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 9072049 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 4031120 [0,0,0,0,1,0|2,0,1]=4 40 B11R1.1 C=CCOC1=CC=C(N)C=C1 4023587 [1,0,1,0,0,0|1,0,1]=4 41 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [1,0,1,0,0,0|1,0,1]=4 42 B13R1.133 CC1=CC=C(NC(=O)C(=O)O)C=C1 4031042 [0,1,1,0,0,0|2,0,0]=4 43 B13R1.148 O=C(O)C(=O)NC1=CC(Cl)=CC=C1 4030253 [0,1,1,0,0,0|2,0,0]=4 44 B13R1.148 O=C(O)C(=O)NC1=CC=CC(F)=C1 4026865 [0,1,1,0,0,0|2,0,0]=4 45 B13R1.643 COC1=CC=CC(SCC(=O)O)=C1 4045170 [0,1,1,0,0,0|1,0,1]=4 46 B13R1.893 CC1=CC=C(Cl)C(OCC(=O)O)=C1 3013793 [0,1,1,0,0,0|1,0,1]=4 47 B13R1.3420 CC1=CC(C)=CC(CCC(=O)O)=C1 4003119 [0,1,1,0,0,0|0,0,2]=4 48 B13R1.3420 CC1=CC(C)=CC(OCC(=O)O)=C1 3013808 [0,1,1,0,0,0|1,0,1]=4 49 B13R1.2872 C\C(C=O)=C/C1=CC(Cl)=CC=C1O 4012334 [0,1,1,0,0,0|1,0,0]=3 50 B13R2.32 CC1=C(O)C2=NC=CC=C2C=C1 5175128 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.32 CC1=C(O)C=CC2=CC=CC=C21 4021629 [1,1,0,0,0,0|1,0,1]=4 52 B13R2.57 N#CC1=CC=C2C=CC=CC2=N1 4045173 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.57 NCC1=CC2=CC=CC=C2N=C1 4100510 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.57 NCC1=CC2=CC=CN=C2C=C1 4004342 [1,1,0,0,0,0|1,0,0]=3 55 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 4102058 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.57 O=CC1=CC=C2C=CC=NC2=C1 4300501 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 4038499 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.155 NC1=NC2=C(C=CC(=O)N2)C=C1 4027370 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.155 O=C1C=CC2=CC=C(Br)C=C2N1 4037918 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.155 OC1=CC=C2C=CC(Cl)=NC2=C1 4037458 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.162 CC1=CC=C2N=CC=C(O)C2=C1 4040203 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 4029008 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.162 ClC1=CC=NC2=CC=C(Br)C=C12 4043700 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 4041500 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.162 NC1=CC=NC2=C1C=C(Cl)C=C2 4014445 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 4029606 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 CC1=CC(Br)=NC2=CC=CC=C12 4049766 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.328 ClC1=CC(Br)=C2N=CC=CC2=C1 4108967 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.328 ClC1=CC(Cl)=NC2=CC=CC=C12 4043546 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.328 O=C1C=C(Cl)C2=CC=CC=C2N1 4001693 [1,1,0,0,0,0|1,0,0]=3 71 B13R2.328 OC1=CC2=CC=CC=C2C(Br)=C1 4038940 [1,1,0,0,0,0|1,0,1]=4 72 B13R2.369 OC1=NC2=CC=CC=C2C=C1Br 4032198 [1,1,0,0,0,0|1,0,1]=4 73 B13R2.5179 CC1=CC=C2C(N)=CC=CC2=N1 4100117 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2N1 4037741 [1,1,0,0,0,0|1,0,0]=3 75 B13R2.2121 CC1=CC2=CC(CN)=CC=C2N1 4002867 [0,1,0,0,1,0|2,0,0]=4 76 B13R2.2121 NCC1=CC2=C(C=C1)NC(=O)N2 4002866 [0,1,0,0,1,0|2,0,0]=4 77 B13R2.3028 CC1=CC=C2NC(=O)C(N)C2=C1 4011503 [0,1,0,0,1,0|1,0,1]=4 78 B13R2.3028 CN1C(=O)OC2=C1C=C(N)C=C2 4035426 [0,1,0,0,1,0|2,0,0]=4 79 B13R2.13083 CC1=C(N)C=C2NC(=O)NC2=C1 4031542 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.662 CC1=CC=C2C(C=O)=CNC2=C1 4029672 [0,1,0,0,1,0|1,0,0]=3 81 B13R2.2130 CN1C=CC2=CC(C=O)=CC=C21 4027626 [0,1,0,0,1,0|2,0,0]=4 82 B15R2.1754 C(=O)C1=CC2=CC=C(C)C=C2N=C1Cl 5808379 [0,2,0,0,0,0|2,0,0]=4 83 B15R2.1754 CC1=CC=C2C=C(C=O)C(O)=NC2=C1 6951607 [0,2,0,0,0,0|2,0,0]=4 84 B15R2.2713 CC1=CC=C2NC(CCl)=CC(=O)C2=C1 4028305 [0,2,0,0,0,0|2,0,0]=4 85 B15R2.21329 CCC1=CC=C2N=C(Cl)C=C(C)C2=C1 4032063 [0,2,0,0,0,0|2,0,0]=4 86 B15R2.21329 CCC1=CC=C2NC(=O)C=C(C)C2=C1 4032589 [0,2,0,0,0,0|1,0,0]=3 87 B15R2.21329 COC1=CC2=C(N)C=C(C)N=C2C=C1 5175472 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.59732 CC1=CC(C)=C2N=C(C)C=C(N)C2=C1 4028429 [0,2,0,0,0,0|2,0,0]=4 89 B15R2.59733 CC1=CC(=O)OC2=CC(C)=C(N)C=C12 4002622 [0,2,0,0,0,0|1,0,0]=3 90 B15R2.1824 CC1=CC=C2N=C(Cl)C(C=O)=CC2=C1 4009767 [0,2,0,0,0,0|2,0,0]=4 91 B15R2.1824 CC1=CC=C2N=C(O)C(C=O)=CC2=C1 6954225 [0,2,0,0,0,0|1,0,1]=4 92 B15R2.62227 CC1=NC2=CC(C)=C(C)C=C2NC1=O 4043049 [0,2,0,0,0,0|2,0,0]=4 93 B13R2.371 CC1=CC=C(N)C2=CC=CN=C12 4041467 [0,0,1,1,0,0|2,0,0]=4 94 B13R2.371 CC1=CC=C(O)C2=C1C=CC=N2 5511450 [0,0,1,1,0,0|2,0,0]=4 95 B11R1.75 CN1C=C(\C=C\C(=O)O)C=N1 4001627 [0,0,1,0,1,0|2,0,0]=4 96 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [1,0,0,0,1,0|1,0,1]=4 97 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [1,0,0,0,1,0|2,0,0]=4 98 B11R2.36 CC1=CC=C2NN=CC2=C1 4028132 [1,0,0,0,1,0|2,0,0]=4 99 B13R1.14 CC1=CC=C(OCC(=O)NN)C=C1 3015213 [0,0,1,0,0,1|2,0,0]=4 100 B13R1.164 CC1=CC(Br)=C(OCC(N)=O)C=C1 6083304 [0,0,1,0,0,1|2,0,0]=4 101 B13R2.33 O=C1COC2=CC=CC=C2CN1 4027041 [1,0,0,0,0,1|1,0,1]=4