0 B17R2.25462 CC(=O)N/N=C/C1=CNC2=C1C=C(C=C2)Br Z49617860 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)F Z1220452176 [0,0,0,0,0,0|1,0,0]=1 2 B16R2.36 CC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395416 [1,0,0,0,0,0|0,0,0]=1 3 B16R2.36 CC(=O)NCCC1CCC2=C1C=CC=C2 Z2282823925 [1,0,0,0,0,0|1,0,2]=4 4 B16R2.36 N=C(N)NCCC1=CNC2=C1C=CC=C2 Z1089997728 [1,0,0,0,0,0|2,0,0]=3 5 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 Z56754864 [1,0,0,0,0,0|2,0,0]=3 6 B16R2.36 O=C(O)CCCC1=CSC2=C1C=CC=C2 Z370714626 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.36 O=C(O)CCCC1=NNC2=C1C=CC=C2 Z1509682641 [1,0,0,0,0,0|3,0,0]=4 8 B18R2.40892 CS(=O)(=O)NCCC1=CNC2=C1C=C(C=C2)F Z1230766157 [0,1,0,0,0,0|2,0,0]=3 9 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C Z1191880499 [0,1,0,0,0,0|0,0,0]=1 10 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N Z1196462057 [0,1,0,0,0,0|1,0,0]=2 11 B18R2.746213 C=CC(=O)NCCC1=CNC2=C1C=C(C=C2)C Z3587465786 [0,1,0,0,0,0|1,0,1]=3 12 B18R2.746213 C=CC(=O)NCCC1=CSC2=C1C=C(C=C2)Cl Z3816903016 [0,1,0,0,0,0|2,0,1]=4 13 B18R2.746213 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl Z1274619383 [0,1,0,0,0,0|1,0,0]=2 14 B18R2.746213 O=C(CCl)NCCC1=CSC2=C1C=C(C=C2)Cl Z3952174899 [0,1,0,0,0,0|2,0,0]=3 15 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O Z1276694079 [0,0,0,0,1,0|2,0,0]=3 16 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Br Z4439411857 [0,0,0,0,1,0|3,0,0]=4 17 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N Z4606621023 [0,0,0,0,1,0|3,0,0]=4 18 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)Br Z1509618627 [0,0,0,0,1,0|2,0,0]=3 19 B17R1.1120 CC(=O)NCCNC(=O)NC1=CC=C(C=C1)Br Z409537042 [0,1,1,0,0,0|2,0,0]=4 20 B17R1.1120 CC(=O)NCCNC(=O)NC1=CC=C(C=C1)C Z44586986 [0,1,1,0,0,0|2,0,0]=4 21 B17R1.1120 CC(=O)NCCNC(=O)NC1=CC=C(C=C1)Cl Z44586960 [0,1,1,0,0,0|2,0,0]=4 22 B17R1.1120 CC(=O)NCCNC(=O)NC1=CC=C(C=C1)F Z44586974 [0,1,1,0,0,0|2,0,0]=4 23 B17R1.1120 CC(=O)NCCNC(=O)NC1=CC=C(C=C1)I Z409803342 [0,1,1,0,0,0|2,0,0]=4 24 B17R1.1120 CC(=O)NCCNC(=S)NC1=CC=C(C=C1)C Z45916318 [0,1,1,0,0,0|2,0,0]=4 25 B17R2.4 CCC(=O)NCCC1=CNC2=C1C=CC=C2 Z26395465 [1,1,0,0,0,0|0,0,0]=2 26 B17R2.4 CN/C(=N/CCC1=CNC2=C1C=CC=C2)/N Z1127393610 [1,1,0,0,0,0|1,0,1]=4 27 B17R2.4 CNC(=O)NCCC1=CSC2=C1C=CC=C2 Z513560640 [1,1,0,0,0,0|1,0,0]=3 28 B17R2.4 CNC(=S)NCCC1=CNC2=C1C=CC=C2 Z45830904 [1,1,0,0,0,0|0,1,0]=3 29 B17R2.4 COC(=O)NCCN1C=NC2=C1C=CC=C2 Z934800016 [1,1,0,0,0,0|1,0,1]=4 30 B17R2.4 NCC(=O)NCCC1=CNC2=C1C=CC=C2 Z1449765636 [1,1,0,0,0,0|0,0,0]=2 31 B17R2.4 O=C(CCl)NCCC1=CNC2=C1C=CC=C2 Z57396119 [1,1,0,0,0,0|0,0,0]=2 32 B17R2.4 O=C(CCl)NCCC1=NSC2=C1C=CC=C2 Z2596802663 [1,1,0,0,0,0|2,0,0]=4 33 B17R2.16 NC(CCC1=CNC2=C1C=CC=C2)C(=O)O Z3681285360 [1,1,0,0,0,0|2,0,0]=4 34 B17R2.3451 CC(=O)NCCN1C=CC2=C1C=CC(=C2)Cl Z2076980741 [1,1,0,0,0,0|2,0,0]=4 35 B17R2.5025 CC(=O)N/N=C/C1=C(NC2=C1C=CC=C2)C Z54320049 [1,1,0,0,0,0|1,0,1]=4 36 B17R2.5025 CC(=O)NCCN1C(=O)OC2=C1C=CC=C2 Z1144243859 [1,1,0,0,0,0|2,0,0]=4 37 B17R2.25461 NC(CC1=CNC2=C1C=C(C=C2)Br)C(=O)O Z1255605966 [0,1,0,0,1,0|2,0,0]=4 38 B17R2.25461 N[C@@H](CC1=CNC2=C1C=C(C=C2)O)C(=O)O Z2044741046 [0,1,0,0,1,0|1,0,0]=3 39 B19R2.1397894 C=CC(=O)NCCCC1=CNC2=C1C=C(C=C2)F Z2285378082 [0,1,0,0,0,1|1,0,1]=4 40 B19R2.195242 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C Z1316790959 [0,2,0,0,0,0|1,0,0]=3 41 B19R2.1645485 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)OC Z1196462077 [0,2,0,0,0,0|0,0,0]=2 42 B19R2.2087503 C=CC(=O)NCCC1=C(NC2=C1C=C(C=C2)F)C Z3490366125 [0,2,0,0,0,0|1,0,1]=4 43 B19R2.1140324 C=CC(=O)NC(C)CC1=CNC2=C1C=C(C=C2)F Z3490365619 [0,2,0,0,0,0|1,0,1]=4 44 B19R2.1407040 C=CC(=O)NCCC1=CNC2=C1C=C(C=C2Cl)F Z3816902559 [0,2,0,0,0,0|1,0,1]=4 45 B19R2.1407040 O=C(CCl)NCCC1=CNC2=C(C=C(C=C12)Cl)F Z2763292682 [0,2,0,0,0,0|1,0,0]=3 46 B19R2.1407040 O=C(CCl)NCCC1=CNC2=C1C=C(C=C2Cl)F Z3887631348 [0,2,0,0,0,0|1,0,0]=3 47 B19R2.1701655 CC#CC(=O)NCCC1=CSC2=C1C=C(C=C2)Cl Z3952174900 [0,2,0,0,0,0|2,0,0]=4 48 B17R2.37536 CC(=O)NCCC1=CN2C=CC=C(C2=N1)C Z1318879709 [0,0,1,1,0,0|2,0,0]=4 49 B17R3.26 O=C1CC(CN1)C2=CNC3=C2C=CC=C3 Z1509155775 [1,0,0,1,0,0|0,0,0]=2 50 B17R3.66024 CC(=O)N1CCN2C1=NC3=C2C=CC=C3 Z57170606 [1,0,0,1,0,0|1,0,1]=4 51 B17R3.284867 CC1=CC2=C(C=C1)NC3=C2CCCC3=O Z57395674 [1,0,0,1,0,0|2,0,0]=4 52 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Br Z1203159928 [1,0,0,1,0,0|2,0,0]=4 53 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Cl Z1203160010 [1,0,0,1,0,0|2,0,0]=4 54 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)F Z1259157514 [1,0,0,1,0,0|2,0,0]=4 55 B15R2.6 CC(=O)CCC1=C2C=CC=CC2=NN1 Z1638523280 [1,0,0,0,1,0|1,0,1]=4 56 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 Z276142282 [1,0,0,0,1,0|0,0,0]=2 57 B15R2.6 NC(=O)CCC1=CNC2=C1C=CC=C2 Z33546345 [1,0,0,0,1,0|1,0,0]=3 58 B15R2.6 O=C(O)CCC1=CCC2=C1C=CC=C2 Z1262514880 [1,0,0,0,1,0|2,0,0]=4 59 B15R2.6 O=C(O)CCC1=CNC2=C1C=CC=C2 Z104482518 [1,0,0,0,1,0|1,0,0]=3 60 B15R2.6 O=C(O)CCC1=CSC2=C1C=CC=C2 Z995104750 [1,0,0,0,1,0|2,0,0]=4 61 B15R2.9410 CC(=O)NC1=NNC2=C1C=C(C=C2)F Z1098710697 [0,0,0,0,2,0|2,0,0]=4 62 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O Z1255489555 [0,0,0,0,2,0|1,0,1]=4 63 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [0,0,0,0,2,0|2,0,0]=4 64 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [0,0,0,0,2,0|2,0,0]=4 65 B17R2.5669 CC(=O)NCCC1=CC2=C(C=CC=C2)C=C1 Z384256698 [1,0,0,0,0,1|1,0,0]=3 66 B17R2.291558 CC(=O)NCCC1=C2N=CC=CC2=CC=C1 Z257401884 [1,0,0,0,0,1|2,0,0]=4