0 B16R2.12021 CC1=C(C2=C(N1)C=CC(=C2)Br)CC(=O)O Z381031930 [1,0,0,0,0,0|1,0,0]=2 1 B16R2.12021 CC1=C(C2=C(N1)C=CC(=C2)F)CC(=O)O Z335243288 [1,0,0,0,0,0|1,0,0]=2 2 B16R2.12021 O=C(O)CC1C(=O)NC2=C1C=C(C=C2)F Z1251197787 [1,0,0,0,0,0|2,0,1]=4 3 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N Z407486572 [1,0,0,0,0,0|1,0,0]=2 4 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)O Z385472506 [1,0,0,0,0,0|0,0,0]=1 5 B16R2.42567 COC1=CC2=C(C=C1)ON=C2CC(=O)O Z1508929123 [1,0,0,0,0,0|2,0,0]=3 6 B18R2.173875 COC1=CC2=C(C=C1)NC(=O)C2(O)CC(=O)C Z1763358890 [0,1,0,0,0,0|2,0,1]=4 7 B16R1.4 COC1=CC=C(C=C1)NC(=O)CCC(=O)O Z56176917 [0,0,1,0,0,0|1,0,1]=3 8 B18R3.174331 COC1=CC2=C(C=C1)NC3=C2CC(=O)CC3 Z1259157723 [0,0,0,1,0,0|1,0,0]=2 9 B18R3.174331 COC1=CC2=C(C=C1)NC3=C2CC(CC3)C Z1259160715 [0,0,0,1,0,0|2,0,1]=4 10 B18R3.174331 COC1=CC2=C(C=C1)NC3=C2CC(CC3)N Z1259158328 [0,0,0,1,0,0|2,0,1]=4 11 B16R2.7527 COC1=CC2=C(C=C1)NC(=C2C(=O)O)C Z415735012 [0,0,0,0,1,0|0,0,0]=1 12 B16R2.7527 COC1=CC2=C(C=C1)NC(C2C(=O)O)C Z3793158368 [0,0,0,0,1,0|0,0,2]=3 13 B16R2.7527 COC1=CC2=C(C=C1)OC(=C2C(=O)O)C Z87002128 [0,0,0,0,1,0|1,0,0]=2 14 B16R2.7527 COC1=NN2C(=NC(=C2C(=O)O)C)C=C1 Z1508936082 [0,0,0,0,1,0|2,0,1]=4 15 B15R1.4 COC1=CC=C(C=C1)NCCCC(=O)O Z285672774 [1,0,1,0,0,0|0,0,2]=4 16 B15R1.111 O=C(O)/C=C/C(=O)NC1=CC=C(C=C1)O Z56176687 [1,0,1,0,0,0|1,0,1]=4 17 B15R1.1882 COC1=CC(=C(C=C1)C=O)OCC(=O)O Z826536098 [1,0,1,0,0,0|2,0,0]=4 18 B15R1.1882 COC1=CC(=C(C=C1)OC)/C=C/C(=O)O Z57040478 [1,0,1,0,0,0|1,0,1]=4 19 B15R1.1882 COC1=CC(=C(C=C1)OC)CCC(=O)O Z278160294 [1,0,1,0,0,0|1,0,1]=4 20 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)N Z339563896 [2,0,0,0,0,0|1,0,0]=3 21 B15R2.993 CC1=C(C2=C(N1)C=CC=C2)CC(=O)O Z335447192 [2,0,0,0,0,0|0,0,0]=2 22 B15R2.993 CC1=C(C2=C(O1)C=CC=C2)CC(=O)O Z1262521044 [2,0,0,0,0,0|1,0,0]=3 23 B15R2.993 CC1=CC2=C(N1CC(=O)O)C=CC=C2 Z104341874 [2,0,0,0,0,0|2,0,0]=4 24 B15R2.993 CC1=NC2=C(N1CC(=O)O)C=CC=C2 Z56812811 [2,0,0,0,0,0|1,0,1]=4 25 B15R2.993 O=C(O)/C=C\1/C(=O)NC2=C1C=CC=C2 Z56827367 [2,0,0,0,0,0|1,0,1]=4 26 B15R2.993 O=C(O)CC1=C(SC2=C1C=CC=C2)Br Z3681807548 [2,0,0,0,0,0|2,0,0]=4 27 B15R2.993 O=C(O)CC1C(=O)NC2=C1C=CC=C2 Z336080924 [2,0,0,0,0,0|1,0,1]=4 28 B15R2.993 O=C(O)CN1C(=O)NC2=C1C=CC=C2 Z431996746 [2,0,0,0,0,0|2,0,0]=4 29 B15R2.9410 CC1=CC2=C(C=C1)N=CN2CC(=O)O Z1945984220 [2,0,0,0,0,0|1,0,1]=4 30 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(=O)O Z1138836786 [2,0,0,0,0,0|0,0,0]=2 31 B15R2.9410 CC1=CC2=C(C=C1)OC=C2CC(=O)O Z57906221 [2,0,0,0,0,0|1,0,0]=3 32 B15R2.9410 O=C(O)CC1=CNC2=C1C=C(C=C2)Cl Z1162450206 [2,0,0,0,0,0|1,0,0]=3 33 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Br Z1434712888 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.9410 O=C(O)CC1=CSC2=C1C=C(C=C2)Cl Z1269130758 [2,0,0,0,0,0|2,0,0]=4 35 B15R2.56717 CC1=CC2=C(C=C1)NC(=C2CCN)C Z1198153447 [2,0,0,0,0,0|1,0,1]=4 36 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CC#N Z410711518 [2,0,0,0,0,0|1,0,1]=4 37 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCN Z336079372 [2,0,0,0,0,0|1,0,1]=4 38 B15R2.4800 COC1=CC2=C(C=C1)NC(=C2C=O)C Z1198171728 [2,0,0,0,0,0|0,0,0]=2 39 B15R2.4800 COC1=CC\2=C(C=C1)NC(=O)/C2=N/O Z276142266 [2,0,0,0,0,0|2,0,0]=4 40 B17R1.197 COC(=O)CCC(=O)NC1=CC=C(C=C1)OC Z56968131 [0,1,1,0,0,0|1,0,1]=4 41 B17R2.1094320 CNC(=O)CC1=C(NC2=C1C=C(C=C2)C)C Z339447390 [1,1,0,0,0,0|1,0,0]=3 42 B17R2.1094320 CNC(=O)CC1=C(NC2=C1C=C(C=C2)F)C Z339447386 [1,1,0,0,0,0|2,0,0]=4 43 B17R2.1146278 CC(C)C1=CC2=C(C=C1)OC=C2CC(=O)O Z57906711 [1,1,0,0,0,0|2,0,0]=4 44 B17R2.1146278 O=C(O)CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-] Z978942518 [1,1,0,0,0,0|2,0,0]=4 45 B17R2.46683 CCOC1=CC2=C(C=C1)OC(=C2C(=O)O)C Z275255888 [0,1,0,0,1,0|1,0,0]=3 46 B17R2.412707 COC1=CC2=C(C=C1)N(C(=C2C(=O)C)C)C Z57003643 [0,1,0,0,1,0|1,0,0]=3 47 B17R2.412707 COC1=CC2=C(C=C1)N(C(=C2C(=O)O)C)C Z57396004 [0,1,0,0,1,0|0,0,0]=2 48 B17R2.64915 COC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C Z276377472 [0,0,1,1,0,0|0,0,2]=4 49 B17R2.11800 COC1=CC2=C(C=C1)NC(=C2C=O)C(=O)O Z1508941220 [0,0,1,1,0,0|1,0,1]=4 50 B17R2.12011 COC1=CC2=C(C=CC=C2CC(=O)O)C=C1 Z1501269085 [0,0,1,1,0,0|1,0,1]=4 51 B17R2.64948 COC1=CC2=C(C=C1)N=C(C(=C2)C(=O)O)C Z57080380 [0,0,1,1,0,0|0,0,2]=4 52 B17R3.31627 CC1=CC2=C(C=C1)NC3=C2CC(=O)CC3 Z1259157699 [1,0,0,1,0,0|1,0,0]=3 53 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCCC3 Z1259160710 [1,0,0,1,0,0|1,0,1]=4 54 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 Z2574931994 [1,0,0,1,0,0|1,0,1]=4 55 B15R1.5 COC1=CC=C(C=C1)C(=O)CCC(=O)O Z285137194 [0,0,1,0,1,0|1,0,1]=4 56 B15R1.5 COC1=CC=C(C=C1)C(=O)NCC(=O)O Z56922151 [0,0,1,0,1,0|2,0,0]=4 57 B15R1.204 COC1=CC=C(C=C1)NC(=O)CC(=O)C Z56876415 [0,0,1,0,1,0|2,0,0]=4 58 B15R2.7204 CC(=O)C1=C(OC2=C1C=C(C=C2)O)C Z57082103 [1,0,0,0,1,0|2,0,0]=4 59 B15R2.7204 CC1=C(C2=C(N1)C=CC(=C2)Cl)C(=O)O Z1259160835 [1,0,0,0,1,0|1,0,0]=3 60 B15R2.7204 CC1=C(C2=C(N1)C=CC(=C2)F)C(=O)O Z1198337972 [1,0,0,0,1,0|1,0,0]=3 61 B15R2.7204 CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)O Z1198156880 [1,0,0,0,1,0|0,0,0]=2 62 B15R2.7204 CC1=C(C2=C(O1)C=CC(=C2)O)C(=O)O Z275255660 [1,0,0,0,1,0|1,0,0]=3 63 B15R2.7204 CC1=C(C2=C(S1)C=CC(=C2)Br)C(=O)O Z1993701655 [1,0,0,0,1,0|2,0,0]=4 64 B15R2.7204 CC1=C(C2=C(S1)C=CC(=C2)Cl)C(=O)O Z1993701565 [1,0,0,0,1,0|2,0,0]=4 65 B15R2.7204 CC1=C(C2=C(S1)C=CC(=C2)F)C(=O)O Z3243566454 [1,0,0,0,1,0|2,0,0]=4 66 B15R2.3137 CCC1=CC2=C(C=C1)OC=C2C(=O)O Z1267805716 [1,0,0,0,1,0|2,0,0]=4 67 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(=O)C Z382706504 [1,0,0,0,1,0|1,0,0]=3 68 B15R2.3137 COC1=CC2=C(C=C1)NC=C2C(=O)O Z385370196 [1,0,0,0,1,0|0,0,0]=2 69 B15R2.3137 COC1=CC2=C(C=C1)NN=C2C(=O)N Z1198323509 [1,0,0,0,1,0|2,0,0]=4 70 B15R2.3137 COC1=CC2=C(C=C1)NN=C2C(=O)O Z1198163383 [1,0,0,0,1,0|1,0,0]=3 71 B15R2.3137 COC1=CC2=C(C=C1)OC=C2C(=O)O Z1255489710 [1,0,0,0,1,0|1,0,0]=3 72 B15R2.3137 COC1=NC2=C(C=C1)NN=C2C(=O)O Z4695690930 [1,0,0,0,1,0|2,0,0]=4 73 B15R2.3137 N#CC1=CC2=C(C=C1)NC=C2C(=O)O Z1198266516 [1,0,0,0,1,0|2,0,0]=4 74 B17R1.196 COC1=CC=C(C=C1)NC(=O)CSCC(=O)O Z19691850 [0,0,1,0,0,1|1,0,1]=4 75 B17R1.196 COC1=CC=C(C=C1)NC(=O)NCCC(=O)O Z227832742 [0,0,1,0,0,1|1,0,1]=4 76 B17R1.6237 COC1=CC(=CC=C1)C(CC(=O)O)NC(=O)C Z1143253489 [0,0,1,0,0,1|1,0,1]=4 77 B17R2.186597 O=C(O)CC1=CC(=O)OC2=C1C=C(C=C2)O Z905065810 [1,0,0,0,0,1|2,0,0]=4 78 B17R2.2777 COC1=CC2=C(C=C1)C(C(=O)N2)CC(=O)O Z1251197773 [0,0,0,0,1,1|1,0,1]=4