0 B13R2.57 N#CC1=NC2=C(C=CC=C2)C=C1 2820568 [1,0,0,0,0,0|2,0,1]=4 1 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 2224568 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 2224641 [1,0,0,0,0,0|2,0,0]=3 3 B13R2.57 NNC1=CC=C2C=CC=CC2=N1 0138210067 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 2830630 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.57 O=CC1=NC2=C(C=CC=C2)C=C1 2821489 [1,0,0,0,0,0|2,0,1]=4 6 B15R2.352 N#CCCC1=CC=C2C=CC=CC2=N1 3338615 [0,1,0,0,0,0|2,0,1]=4 7 B15R2.352 N#CCOC1=CC2=CC=CC=C2C=C1 7012350677 [0,1,0,0,0,0|0,0,1]=2 8 B15R2.888 ClCCC1=CC2=CC=CC=C2N=C1Cl 1049754 [0,1,0,0,0,0|3,0,0]=4 9 B15R2.888 NCCC1=CC2=CC=CC=C2NC1=O 1048832 [0,1,0,0,0,0|3,0,0]=4 10 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 0109850006 [0,1,0,0,0,0|1,0,0]=2 11 B15R2.1601 COC(=O)C1=CC=C2C=NC=CC2=C1 6923426 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.1601 O=C(CBr)C1=CC2=C(C=CC=C2)C=C1 2740322 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.1601 O=C(CO)C1=CC2=CC=CC=C2C=C1 8511667 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 2849134 [0,0,1,0,0,0|2,0,1]=4 15 B13R1.42 CCOC(=O)COC1=CC=CC=C1 2849583 [0,0,1,0,0,0|2,0,1]=4 16 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 22430693 [0,0,1,0,0,0|1,0,0]=2 17 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 5916708 [0,0,1,0,0,0|2,0,0]=3 18 B13R1.384 CCOC1=CC=C(O)C(\C=N\O)=C1 11639196 [0,0,1,0,0,0|3,0,0]=4 19 B15R3.4266 C1=CC=C2N=C3NCCC3=CC2=C1 7020431182 [0,0,0,1,0,0|2,0,0]=3 20 B15R3.4266 C1=CC=C2N=C3OCCC3=CC2=C1 1113846 [0,0,0,1,0,0|1,0,0]=2 21 B13R2.1 NCCC1=CNC2=C1C=CC=C2 2832112 [0,0,0,0,1,0|3,0,0]=4 22 B13R2.1 NCCC1=COC2=CC=CC=C12 1499599 [0,0,0,0,1,0|3,0,0]=4 23 B13R2.26 CCSC1=NC2=CC=CC=C2N1 7016000491 [0,0,0,0,1,0|2,1,0]=4 24 B13R2.26 NCCC1=CC2=C(C=CC=C2)O1 1178796 [0,0,0,0,1,0|3,0,0]=4 25 B13R2.449 NCCC1=CC=C2NC=CC2=C1 3742121 [0,0,0,0,1,0|3,0,0]=4 26 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 11186114 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.32 CCOC(=O)CC1=CC=CC=C1 1902606 [1,0,1,0,0,0|1,0,1]=4 28 B12R1.270 C=CCC1=C(O)C=CC(OC)=C1 1392493 [1,0,1,0,0,0|1,0,1]=4 29 B12R1.286 CCOC1=CC(C=O)=C(O)C=C1 2833348 [1,0,1,0,0,0|2,0,0]=4 30 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 1361118 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 6871429 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.24 CC1=CC2=C(C=C1)N=CC=N2 5012760 [2,0,0,0,0,0|2,0,0]=4 33 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [2,0,0,0,0,0|0,0,0]=2 34 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [2,0,0,0,0,0|1,0,0]=3 36 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [2,0,0,0,0,0|1,0,1]=4 37 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 2819404 [2,0,0,0,0,0|1,0,0]=3 38 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [2,0,0,0,0,0|0,0,0]=2 39 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [2,0,0,0,0,0|0,1,0]=3 40 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 1784001 [0,1,1,0,0,0|1,0,1]=4 41 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)N=C1 6850297 [0,1,1,0,0,0|2,0,0]=4 42 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 7211740013 [0,1,1,0,0,0|1,0,0]=3 43 B14R2.134 NCC1=CC2=CC(F)=CC=C2C=N1 6935824 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.142 CCC1=CC=C2N=CC=C(O)C2=C1 0109850018 [1,1,0,0,0,0|1,0,0]=3 45 B14R2.781 CC(=O)C1=CC2=C(C=CC=C2)C=C1 2843791 [1,1,0,0,0,0|0,0,1]=3 46 B14R2.781 O=C(Cl)C1=CC2=C(C=CC=C2)C=C1 2895519 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.781 O=C(O)C1=CC2=C(C=CC=C2)C=C1 2845130 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.1128 CCC1=CC2=CC=CC=C2NC1=O 22430484 [1,1,0,0,0,0|1,0,0]=3 49 B14R2.1128 NCC1=CC2=CC=CC=C2NC1=O 1048787 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 1522010 [1,1,0,0,0,0|1,0,0]=3 51 B14R2.2332 COC1=CC2=C(C=C1)C=C(N)C=N2 1436707 [1,1,0,0,0,0|1,0,0]=3 52 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 1597912 [0,1,0,0,1,0|1,0,1]=4 53 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 1149857 [0,1,0,0,1,0|2,0,0]=4 54 B14R2.6400 CCOC1=CC2=C(C=C1)N=C(N)S2 0127460006 [0,1,0,0,1,0|2,0,0]=4 55 B14R2.6400 CCOC1=CC=C2NC(S)=NC2=C1 5012895 [0,1,0,0,1,0|2,0,0]=4 56 B14R2.6412 CCOC1=CC=C2C(=O)COC2=C1 1104771 [0,1,0,0,1,0|1,0,1]=4 57 B16R2.477 NC(=S)COC1=CC=C2C=CC=CC2=C1 7020293029 [0,2,0,0,0,0|0,0,1]=3 58 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2N=N1 7563727 [0,2,0,0,0,0|2,0,0]=4 59 B16R2.5347 O=C(CCl)NC1=CC2=C(C=CC=C2)C=C1 2980077 [0,2,0,0,0,0|1,0,1]=4 60 B16R2.107862 CCOC1=CC=C2N=C(C)C=C(C)C2=C1 4396070 [0,2,0,0,0,0|1,0,0]=3 61 B16R2.107862 CCOC1=CC=C2N=C(C)C=C(Cl)C2=C1 7020420381 [0,2,0,0,0,0|1,0,0]=3 62 B16R2.22859 CC(C)OC1=CC=C2C(=O)NC=CC2=C1 1522014 [0,2,0,0,0,0|1,0,0]=3 63 B16R2.28256 CCOC1=CC=C2C=CC=CC2=C1C=O 7014792364 [0,2,0,0,0,0|0,0,0]=2 64 B14R2.7150 CNCC1=C2C=CC=CC2=CC=C1 2992588 [0,0,1,1,0,0|2,0,0]=4 65 B16R3.2754 OC1=C2CCCC2=NC3=CC=CC=C31 7010260184 [0,1,0,1,0,0|2,0,0]=4 66 B16R3.10840 CC1=CC=C2C=C3CCNC3=NC2=C1 7020431184 [0,1,0,1,0,0|2,0,0]=4 67 B16R3.10840 CC1=CC=C2N=C3NCCC3=CC2=C1 7020431183 [0,1,0,1,0,0|2,0,0]=4 68 B16R3.10840 FC1=CC=C2C=C3CCNC3=NC2=C1 3353947 [0,1,0,1,0,0|2,0,0]=4 69 B16R3.27813 CC1=C2N=C3NCCC3=CC2=CC=C1 7020431185 [0,1,0,1,0,0|2,0,0]=4 70 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 2832924 [0,0,1,0,1,0|1,0,1]=4 71 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 1867347 [0,0,1,0,1,0|2,0,0]=4 72 B12R2.1 NCC1=CNC2=CC=CC=C12 7020690230 [1,0,0,0,1,0|2,0,0]=4 73 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 2214407 [1,0,0,0,1,0|2,0,0]=4 74 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 2828881 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.44 COC1=CC2=C(C=C1)SC=N2 5023581 [1,0,0,0,1,0|2,0,0]=4 76 B12R2.44 COC1=CC=C2N=CNC2=C1 1088555 [1,0,0,0,1,0|2,0,0]=4 77 B12R2.44 COC1=CC=C2NC=CC2=C1 1270757 [1,0,0,0,1,0|1,0,0]=3 78 B12R2.44 COC1=CC=C2NC=NC2=C1 1088556 [1,0,0,0,1,0|2,0,0]=4 79 B12R2.44 COC1=NC2=C(C=C1)NC=C2 5750841 [1,0,0,0,1,0|2,0,0]=4