0 B20R3.263426 ClC1=NC2=CC(=CC=C2C=C1C3=CC=CC=C3)Br BBO000583 [0,0,0,0,0,0|3,0,0]=3 1 B20R3.263426 OC1=NC2=CC(=CC=C2C=C1C3=CC=CC=C3)Br BBO000584 [0,0,0,0,0,0|2,0,1]=3 2 B19R3.291 CC1=C(OC2=C(O1)C=CC=C2)C3=NC=CC=C3 S119768 [1,0,0,0,0,0|3,0,0]=4 3 B19R3.291 CC1=NC2=NC=CC=C2C=C1C3=CC=CC=C3 T144177 [1,0,0,0,0,0|3,0,0]=4 4 B19R3.291 ClC1=NC2=C(C=CC=C2)N=C1C3=CC=CC=C3 PH009713 [1,0,0,0,0,0|3,0,0]=4 5 B19R3.291 ClC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3 BBO000734 [1,0,0,0,0,0|2,0,0]=3 6 B19R3.291 N=C1OC2=C(C=CC=C2)C=C1C3=CC=CC=C3 S956783 [1,0,0,0,0,0|1,0,0]=2 7 B19R3.291 N=C1OC2=C(C=CC=C2)C=C1C3=CC=CC=C3 S959774 [1,0,0,0,0,0|1,0,0]=2 8 B19R3.291 N=C1OC2=C(C=CC=C2)C=C1C3=CC=CC=C3 S959936 [1,0,0,0,0,0|1,0,0]=2 9 B19R3.291 N=C1OC2=C(C=CC=C2)C=C1C3=CC=CC=C3 S959944 [1,0,0,0,0,0|1,0,0]=2 10 B19R3.291 NC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3 BBO000068 [1,0,0,0,0,0|2,0,0]=3 11 B19R3.291 O=C1NC2=C(C=CC=C2)N=C1C3=CC=CC=C3 PH006824 [1,0,0,0,0,0|2,0,0]=3 12 B19R3.291 O=C1NC2=C(C=CC=C2)OC1C3=CC=CC=C3 PH000212 [1,0,0,0,0,0|2,0,1]=4 13 B19R3.291 O=C1NC2=C(C=CC=C2)SC1C3=CC=CC=C3 PH003237 [1,0,0,0,0,0|2,0,1]=4 14 B19R3.291 O=C1OC2=C(C=C1C3=CC=NC=C3)N=CC=C2 PH009164 [1,0,0,0,0,0|2,0,0]=3 15 B19R3.291 O=C1OC2=C(C=CC=C2)C=C1C3=CC=CC=C3 S393266 [1,0,0,0,0,0|0,0,0]=1 16 B19R3.291 O=C1OC2=C(C=CC=C2)C=C1C3=CC=CN=C3 PH008958 [1,0,0,0,0,0|1,0,0]=2 17 B19R3.291 O=C1OC2=C(C=CC=C2)N=C1C3=CC=CC=C3 PH009063 [1,0,0,0,0,0|1,0,0]=2 18 B19R3.291 O=C1SC2=C(C=CC=C2)NC1C3=CC=CC=C3 PH001342 [1,0,0,0,0,0|1,1,1]=4 19 B19R3.55010 CC1=CC2=C(C=C1)N=C(C=N2)C3=CC=CC=C3 BOG00212 [1,0,0,0,0,0|3,0,0]=4 20 B19R3.55010 ClC1=CC2=C(C=C1)C=C(C=N2)C3=CC=CC=C3 S770604 [1,0,0,0,0,0|2,0,0]=3 21 B21R3.144628 O=C1OC2=CC(=CC=C2C=C1C3=CC=C(C=C3)Cl)O PH017227 [0,1,0,0,0,0|0,0,0]=1 22 B21R3.150833 O=C1OC2=CC(=CC=C2C=C1C3=CC(=CC=C3)Cl)O PH017226 [0,1,0,0,0,0|0,0,0]=1 23 B21R3.756581 COC1=CC=C2C=C(C(=NC2=C1)Cl)C3=CC=CC=C3 BBO000581 [0,1,0,0,0,0|2,0,0]=3 24 B21R3.7155661 CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=CC=C3 L256854 [0,1,0,0,0,0|1,0,0]=2 25 B19R2.151568 CC1=CC=C(C=C1)/C=C(/C(=O)O)\C2=CC=CC=C2 PH002487 [0,0,1,0,0,0|1,0,0]=2 26 B19R2.151568 CC1=CC=C(C=C1)OC(C(=O)O)C2=CC=CC=C2 PH011059 [0,0,1,0,0,0|2,0,1]=4 27 B19R2.151568 O=C(O)/C(=C/C1=CC=C(C=C1)Cl)/C2=CC=CC=C2 PH002489 [0,0,1,0,0,0|1,0,0]=2 28 B19R2.151568 O=C(O)C(=CC1=CC=C(C=C1)O)C2=CC=CC=C2 S351172 [0,0,1,0,0,0|0,0,0]=1 29 B19R2.151568 O=C(O)C(CC1=CC=C(C=C1)O)C2=CC=CC=C2 S351199 [0,0,1,0,0,0|0,0,2]=3 30 B19R2.151568 O=C(O)C(OC1=CC=C(C=C1)Cl)C2=CC=CC=C2 PH011009 [0,0,1,0,0,0|2,0,1]=4 31 B19R2.151568 O=C([O-])C(CC1=CC=C(C=C1)O)C2=CC=CC=C2 S401285 [0,0,1,0,0,0|0,0,3]=4 32 B18R2.6467 O=C(C=CC1=CC(=CC=C1)O)C2=CC=CC=C2 S288047 [1,0,1,0,0,0|2,0,0]=4 33 B18R2.6478 O=C(NC1=CC=CC=C1)NC2=CC(=CC=C2)O R645524 [1,0,1,0,0,0|2,0,0]=4 34 B18R2.3983 O=C(NC1=CC=CC=C1)OC2=CC=CC=C2Cl S392960 [1,0,1,0,0,0|2,0,0]=4 35 B18R2.4111 CC(=O)/C(=C\C1=CC=CC=C1)/C2=CC=CC=C2 S149187 [1,0,1,0,0,0|1,0,0]=3 36 B18R2.4111 O=C(O)/C(=C/C1=CC=CC=C1)/C2=CC=CC=C2 S149055 [1,0,1,0,0,0|0,0,0]=2 37 B18R2.4111 O=C(O)C(CC1=CC=CC=C1)C2=CC=CC=C2 PH011608 [1,0,1,0,0,0|0,0,2]=4 38 B18R2.4111 O=[N+]([O-])/C(=C\C1=CC=CC=C1)/C2=CC=CC=C2 T329991 [1,0,1,0,0,0|1,0,1]=4 39 B20R2.6237 COC1=CC=C(C=C1)/C=C(/C(=O)O)\C2=CC=CC=C2 OTV000223 [0,1,1,0,0,0|0,0,0]=2 40 B20R2.6237 COC1=CC=C(C=C1)OC(C(=O)O)C2=CC=CC=C2 PH018722 [0,1,1,0,0,0|1,0,1]=4 41 B20R2.68271 CC1=CC=C(C=C1)/C=C(/C(=O)O)\C2=CC=C(C=C2)Cl PH002495 [0,1,1,0,0,0|1,0,0]=3 42 B20R2.239519 CC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/S(=O)(=O)O T164186 [0,1,1,0,0,0|2,0,0]=4 43 B20R3.5464 NC1=CC=CC(=C1)C2=CC3=C(C=CC=C3)OC2=O R702528 [1,1,0,0,0,0|0,0,0]=2 44 B20R3.13141 ClC1=NC2=CC=CC=C2C(=C1C3=CC=CC=C3)Cl PH017685 [1,1,0,0,0,0|2,0,0]=4 45 B20R3.13141 N1C(=O)N(C(=O)C2=C1C=CC=C2)C3=CC=CC=C3 S365815 [1,1,0,0,0,0|2,0,0]=4 46 B20R3.13141 O=C1CC2=C(C=CC=C2)C(=O)N1C3=CC=CC=C3 PH004206 [1,1,0,0,0,0|2,0,0]=4 47 B20R3.13141 O=C1OC2=C(C=CC=C2)C(=C1C3=CC=CC=C3)O S927759 [1,1,0,0,0,0|0,0,0]=2 48 B20R3.19290 O=C1OC2=C(C=CC=C2)C=C1C3=CC=C(C=C3)F PH007849 [1,1,0,0,0,0|0,0,0]=2 49 B20R3.263381 CC1=CC=C2N=C(C(=CC2=C1)C3=CC=CC=C3)Cl BBO000260 [1,1,0,0,0,0|2,0,0]=4 50 B20R3.263381 ClC1=NC2=CC=C(C=C2C=C1C3=CC=CC=C3)Br BBO000268 [1,1,0,0,0,0|2,0,0]=4 51 B20R3.263381 NC1=NC2=CC=C(C=C2C=C1C3=CC=CC=C3)Br BBO000559 [1,1,0,0,0,0|2,0,0]=4 52 B20R3.263381 O=C1OC2=C(C=C(C=C2)Br)C=C1C3=CC=CN=C3 PH003991 [1,1,0,0,0,0|1,0,0]=3 53 B20R3.263381 O=C1OC2=C(C=C(C=C2)Cl)C=C1C3=CC=NC=C3 PH006304 [1,1,0,0,0,0|1,0,0]=3 54 B20R3.263381 O=C1OC2=C(C=C(C=C2)Cl)N=C1C3=CC=CC=C3 PH006315 [1,1,0,0,0,0|1,0,0]=3 55 B20R3.263381 OC1=NC2=CC=C(C=C2C=C1C3=CC=CC=C3)F BBO000582 [1,1,0,0,0,0|1,0,1]=4 56 B20R3.277675 O=C1C(=COC2=C1C=CC(=C2)O)C3=CC=CC=C3 OTV000035 [1,1,0,0,0,0|0,0,0]=2 57 B20R3.277098 NC1=CC=C2C(=O)N(C(=O)C2=C1)C3=CC=CC=C3 OTV000810 [0,1,0,0,1,0|2,0,0]=4 58 B22R3.11063907 CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC3=CC=CC=C3 R508551 [0,1,0,0,0,1|0,0,0]=2 59 B22R3.15015 COC1=CC=C(C=C1)C2=CC3=CC=C(C=C3OC2=O)O PH017230 [0,2,0,0,0,0|0,0,0]=2 60 B22R3.5326982 CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)F L256889 [0,2,0,0,0,0|1,0,0]=3 61 B22R3.5326982 CC1=C(C(=O)OC2=CC(=CC=C12)O)C3=CC=C(C=C3)Br PH017231 [0,2,0,0,0,0|0,0,0]=2 62 B22R3.5326982 CC1=C(C(=O)OC2=CC(=CC=C12)O)C3=CC=C(C=C3)Cl PH017233 [0,2,0,0,0,0|0,0,0]=2 63 B22R3.11656952 O=C1OC2=CC(=CC=C2C=C1C3=CC=C(C=C3Cl)Cl)O PH017232 [0,2,0,0,0,0|0,0,0]=2 64 B22R3.41031239 O=C1OC2=C(C=C1C3=CC=C(C=C3)O)C(=CC(=C2)O)O PH006752 [0,2,0,0,0,0|0,0,0]=2 65 B22R3.11063905 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C)C3=CC=CC=C3 L256862 [0,2,0,0,0,0|1,0,0]=3 66 B22R3.11063905 CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)O)C3=CC=CC=C3 R906387 [0,2,0,0,0,0|1,0,0]=3 67 B22R3.18103706 COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CN=C3)C PH006411 [0,2,0,0,0,0|1,0,0]=3 68 B22R3.18103706 COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC=CC=C3 L256781 [0,2,0,0,0,0|1,0,0]=3 69 B22R3.75535164 CC1=C(C(=O)OC2=CC(=CC=C12)O)C3=CC=CC=C3Cl PH017229 [0,2,0,0,0,0|0,0,0]=2 70 B22R3.75535164 CC1=CC=CC=C1C2=C(OC3=C(C2=O)C=CC(=C3)O)C L256625 [0,2,0,0,0,0|1,0,0]=3 71 B20R3.407772 O=C\1NC2=C(/C1=N/C3=CC=C(C=C3)O)C=CC=C2 R365971 [0,0,1,1,0,0|2,0,0]=4 72 B20R4.1699069 C1=CC2=C(C=C1)C=C3C(=C2)OC4=C3C=CC=C4 S456667 [1,0,0,1,0,0|1,0,1]=4 73 B18R2.6461 CC1=CC(=CC=C1)C(=O)C(=O)C2=CC=CC=C2 PH007406 [0,0,1,0,1,0|2,0,0]=4 74 B18R2.6539 CC1=CC=C(C(=C1)OC(=O)C2=CC=CC=C2)C S84604 [0,0,1,0,1,0|1,0,1]=4 75 B18R2.9267 CC1=CC=C(C=C1)C(C(=O)O)C2=CC=CC=C2 PH009728 [0,0,1,0,1,0|1,0,1]=4 76 B18R2.9267 O=C(O)C(C1=CC=CC=C1)C2=CC=C(C=C2)Cl PH009879 [0,0,1,0,1,0|1,0,1]=4 77 B18R3.111 CC1=C2C=CC=CN2C=C1C3=CC=CC=C3 PH009241 [1,0,0,0,1,0|2,0,0]=4 78 B18R3.111 O=C1C2=C(C=CC=C2)CC1C3=CC=CC=C3 S670359 [1,0,0,0,1,0|0,0,2]=4 79 B18R3.182 O=C1CC2=C(N1C3=CC=CC=C3)C=CC=C2 PH005146 [1,0,0,0,1,0|2,0,0]=4 80 B18R3.182 O=C1NC2=C(C1C3=CC=CC=C3)C=CC=C2 PH000161 [1,0,0,0,1,0|1,0,1]=4 81 B18R3.182 O=C1OC2=CC=CC=C2C1C3=CC=CC=C3 PH009448 [1,0,0,0,1,0|0,0,1]=3 82 B18R3.182 O=C1SC2=C(N1C3=CC=CC=C3)C=CC=C2 S512397 [1,0,0,0,1,0|1,1,0]=4 83 B18R3.6367 O=C1OC2=C(C=CC=C2)C=C1C3=CC=CS3 PH007847 [1,0,0,0,1,0|1,0,0]=3 84 B18R3.32722 N1C(=CC2=C1C=CC(=C2)C)C3=CC=CC=C3 S432563 [1,0,0,0,1,0|2,0,0]=4 85 B18R3.32722 NC1=CC2=C(C=C1)OC(=C2)C3=CC=CC=C3 CDS022132 [1,0,0,0,1,0|2,0,0]=4 86 B20R3.12909 O=C1CC(=NC2=C(N1)C=CC=C2)C3=CC=CC=C3 R664138 [1,0,0,0,0,1|2,0,0]=4 87 B20R3.5787 CC1=CC2=C(C=C1)C(CC(=O)O2)C3=CC=CC=C3 PH009477 [0,0,0,0,1,1|1,0,1]=4 88 B20R3.5787 O=C1C=C(C2=C(O1)C=C(C=C2)O)C3=CC=NC=C3 PH004213 [0,0,0,0,1,1|1,0,0]=3 89 B20R3.93401 O=C\1C2=C(C=CC(=C2)Cl)O/C1=C/C3=CC=CC=C3 T151696 [0,0,0,0,1,1|2,0,0]=4