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O=C(CC1OCCC2=C1C=CC=C2)NC3=CC=CC=C3 Z1210015222 [0,0,1,0,0,0|3,0,0]=4 12 B22R3.797 O=C(NC1=CC=CC=C1)NC2CCOC3=C2C=CC=C3 Z135048696 [0,0,1,0,0,0|2,0,0]=3 13 B22R3.797 O=C(NC1=CC=CC=C1)NC2CCSC3=C2C=CC=C3 Z135048838 [0,0,1,0,0,0|2,0,0]=3 14 B22R3.797 O=C(NC1=CC=NC=C1)NC2CCOC3=C2C=CC=C3 Z447597510 [0,0,1,0,0,0|3,0,0]=4 15 B22R3.797 O=C(NC1=CC=NC=C1)NC2CCSC3=C2C=CC=C3 Z447605946 [0,0,1,0,0,0|3,0,0]=4 16 B22R3.797 O=C(NC1=CN=CC=C1)NC2CCOC3=C2C=CC=C3 Z166693384 [0,0,1,0,0,0|3,0,0]=4 17 B22R3.797 O=C(NC1=CN=CC=C1)NC2CCSC3=C2C=CC=C3 Z166694112 [0,0,1,0,0,0|3,0,0]=4 18 B22R3.797 O=C(NC1=NC=CC=C1)NC2CCOC3=C2C=CC=C3 Z447597516 [0,0,1,0,0,0|3,0,0]=4 19 B22R3.797 O=C(NC1=NC=CC=C1)NC2CCSC3=C2C=CC=C3 Z447605952 [0,0,1,0,0,0|3,0,0]=4 20 B22R3.797 S=C(NC1=CN=CC=C1)NC2CCCC3=C2C=CC=C3 Z45831028 [0,0,1,0,0,0|2,0,0]=3 21 B22R3.816194 CCOC1=C(C=CC=C1)CSC2=NC3=C(N2)C=CC=C3 Z19650761 [0,0,1,0,0,0|2,0,0]=3 22 B22R3.3018238 C1=CC=C(C=C1)CC/C=N/NC2=NC3=C(N2)C=CC=C3 Z44868932 [0,0,1,0,0,0|1,0,1]=3 23 B22R3.3018238 C1=CC=C(C=C1)CSCCNC2=NC3=C(O2)C=CC=C3 Z271497430 [0,0,1,0,0,0|2,0,0]=3 24 B22R3.3768459 COC1=C(C=CC=C1)C(=O)NC2=NC3=C(N2)C=CC=C3 Z27666165 [0,0,1,0,0,0|2,0,1]=4 25 B22R3.3768459 CSC1=C(C=CC=C1)C(=O)NC2=NC3=C(N2)C=CC=C3 Z27665122 [0,0,1,0,0,0|2,0,1]=4 26 B22R4.4503 C1=CC2=C(C=C1)C(CC2)NC3=NC4=C(S3)C=CC=C4 Z196164918 [0,0,0,0,1,0|1,0,0]=2 27 B22R4.4503 C1=CC2=C(C=C1)N(CC2)CC3=NC4=C(O3)C=CC=C4 Z103730946 [0,0,0,0,1,0|3,0,0]=4 28 B24R4.1620053 C1=CC2=C(C=C1)OC(=N2)CN3CCCSC4=C3C=CC=C4 Z103881866 [0,0,0,0,0,1|3,0,0]=4 29 B24R4.1620053 C1=CC2=C(C=C1)SC(=N2)CN3CCCSC4=C3C=CC=C4 Z106012552 [0,0,0,0,0,1|3,0,0]=4 30 B24R4.1620726 C1=CC2=C(C=C1)/C(=N/NC3=NC4=C(N3)C=CC=C4)/CCC2 Z44868847 [0,0,0,0,0,1|0,0,1]=2 31 B24R4.1620726 C1=CC2=C(C=C1)OC(=C2)CNC3CCOC4=C3C=CC=C4 Z738894512 [0,0,0,0,0,1|3,0,0]=4 32 B24R4.6842361 C1=CC2=C(C=C1)N=C(C=N2)NC3CCOC4=C3C=CC=C4 Z246346074 [0,0,0,0,0,1|1,0,1]=3 33 B21R3.75855 COC1=C(C=CC=C1)CNC2=NC3=C(O2)C=CC=C3 Z244390140 [1,0,1,0,0,0|2,0,0]=4 34 B21R3.75855 COC1=C(C=CC=C1)CSC2=NC3=C(N2)C=CC=C3 Z19650394 [1,0,1,0,0,0|2,0,0]=4 35 B21R3.75855 OCC1=C(C=CC=C1)CNC2=NC3=C(S2)C=CC=C3 Z786278576 [1,0,1,0,0,0|2,0,0]=4 36 B21R3.3965166 CC(SC1=NC2=C(N1)C=CC=C2)C3=C(C=CC=C3)Cl Z19650760 [1,0,1,0,0,0|2,0,0]=4 37 B21R3.3965166 CC1=C(C=CC=C1)C(=O)NC2=NC3=C(N2)C=CC=C3 Z27666266 [1,0,1,0,0,0|1,0,1]=4 38 B23R3.1471 CC1=CC=C(C=C1)NC(=O)NC2CCOC3=C2C=CC=C3 Z135048664 [0,1,1,0,0,0|2,0,0]=4 39 B23R3.1471 CC1=CC=C(C=C1)NC(=O)NC2CCSC3=C2C=CC=C3 Z135048806 [0,1,1,0,0,0|2,0,0]=4 40 B23R3.1471 O=C(CC1=CC=C(C=C1)Cl)NC2CCCC3=C2C=CC=C3 Z26397792 [0,1,1,0,0,0|2,0,0]=4 41 B23R3.1471 O=C(NC1=CC=C(C=C1)Cl)NC2CCSC3=C2C=CC=C3 Z135048786 [0,1,1,0,0,0|2,0,0]=4 42 B23R3.1471 O=C(NC1=CC=C(C=C1)F)NC2CCSC3=C2C=CC=C3 Z135048798 [0,1,1,0,0,0|2,0,0]=4 43 B23R3.17033 CC1=C(C=CC=C1)CC(=O)NC2CCCC3=C2C=CC=C3 Z51728090 [0,1,1,0,0,0|2,0,0]=4 44 B23R3.17033 O=C(CC1=C(C=CC=C1)Cl)NC2CCCC3=C2C=CC=C3 Z26396386 [0,1,1,0,0,0|2,0,0]=4 45 B23R3.17033 O=C(CC1=C(C=CC=C1)F)NC2CCCC3=C2C=CC=C3 Z26397851 [0,1,1,0,0,0|2,0,0]=4 46 B23R3.17033 O=C(NC1=C(C=CC=C1)F)NC2CCOC3=C2C=CC=C3 Z219650108 [0,1,1,0,0,0|2,0,0]=4 47 B23R3.17033 O=C(NC1=C(C=CC=C1)F)NC2CCSC3=C2C=CC=C3 Z219650994 [0,1,1,0,0,0|2,0,0]=4 48 B23R3.44114 CC1=CC(=CC=C1)NC(=O)NC2CCSC3=C2C=CC=C3 Z135048802 [0,1,1,0,0,0|2,0,0]=4 49 B23R3.44114 CC1=CC(=CC=C1)NC(=S)NC2CCSC3=C2C=CC=C3 Z54645535 [0,1,1,0,0,0|2,0,0]=4 50 B23R3.44114 NC1=CC(=CC=C1)CC(=O)NC2CCCC3=C2C=CC=C3 Z992267286 [0,1,1,0,0,0|2,0,0]=4 51 B23R3.44114 O=C(CC1=CC=CC(=C1)F)NC2CCCC3=C2C=CC=C3 Z26396370 [0,1,1,0,0,0|2,0,0]=4 52 B23R3.44114 O=C(CC1=CC=CC(=C1)F)N[C@@H]2CCCC3=C2C=CC=C3 Z3953592905 [0,1,1,0,0,0|2,0,0]=4 53 B23R3.44114 O=C(NC1=CC=CC(=C1)Cl)NC2CCSC3=C2C=CC=C3 Z135048788 [0,1,1,0,0,0|2,0,0]=4 54 B23R3.145231 O=C(NC1=CC=CC=C1)NC2CCSC3=C2C=C(C=C3)Cl Z166721902 [0,1,1,0,0,0|2,0,0]=4 55 B23R3.145231 O=C(NC1=CC=CC=C1)NC2CCSC3=C2C=C(C=C3)F Z135255936 [0,1,1,0,0,0|2,0,0]=4 56 B23R3.674964 O=C(NC1=CC=CC=C1)NC2CCSC3=C(C=CC=C23)F Z166722118 [0,1,1,0,0,0|2,0,0]=4 57 B23R3.941732 CN(C(=O)NC1=CC=CC=C1)C2CCCC3=C2C=CC=C3 Z53120218 [0,1,1,0,0,0|1,0,0]=3 58 B23R3.1419781 CCOCC1=C(C=CC=C1)CNC2=NC3=C(O2)C=CC=C3 Z357942228 [0,1,1,0,0,0|1,0,0]=3 59 B23R3.20144624 CCOC1=C(C=CC=C1)C(=O)NC2=NC3=C(N2)C=CC=C3 Z27666296 [0,1,1,0,0,0|1,0,1]=4 60 B23R3.20144624 COCC1=C(C=CC=C1)C(=O)NC2=NC3=C(N2)C=CC=C3 Z363069962 [0,1,1,0,0,0|1,0,1]=4 61 B23R3.51075 CN(CCCNC1=NC2=C(O1)C=CC=C2)C3=CC=CC=C3 Z271359728 [0,1,1,0,0,0|2,0,0]=4 62 B23R3.1338538 CC1=CC=C(C=C1)OCCCSC2=NC3=C(N2)C=CC=C3 Z111716126 [0,1,1,0,0,0|2,0,0]=4 63 B23R3.1338538 ClC1=CC=C(C=C1)OCCCSC2=NC3=C(N2)C=CC=C3 Z111716128 [0,1,1,0,0,0|2,0,0]=4 64 B23R3.3559244 OC(CNC1=NC2=C(O1)C=CC=C2)COC3=CC=CC=C3 Z397833346 [0,1,1,0,0,0|2,0,0]=4 65 B23R3.7932701 CC1=CC(=CC=C1)OCCCSC2=NC3=C(N2)C=CC=C3 Z57841686 [0,1,1,0,0,0|2,0,0]=4 66 B23R4.54437 O[C@H]1CC2=C([C@H]1NC3=NC4=C(O3)C=CC=C4)C=CC=C2 Z805460560 [0,1,0,0,1,0|1,0,0]=3 67 B23R4.54437 O[C@H]1CC2=C([C@H]1NC3=NC4=C(S3)C=CC=C4)C=CC=C2 Z805460900 [0,1,0,0,1,0|1,0,0]=3 68 B25R4.25845884 FC1=CC2=C(C=C1)OCCCC2NC3=NC4=C(O3)C=CC=C4 Z805450584 [0,1,0,0,0,1|1,0,0]=3 69 B25R4.4917548 CN(CC1=NC2=C(O1)C=CC=C2)C3CCCC4=C3C=CC=C4 Z103748798 [0,1,0,0,0,1|1,0,0]=3 70 B25R4.4917548 O=C(NC1=NC2=C(S1)C=CC=C2)C3CCCC4=C3C=CC=C4 Z300224338 [0,1,0,0,0,1|1,0,0]=3 71 B25R4.18943647 FC1=CC\2=C(C=C1)SCC/C2=N\NC3=NC4=C(N3)C=CC=C4 Z44868516 [0,1,0,0,0,1|1,0,1]=4 72 B25R4.441814131 O=C(NC1CCCC2=C1C=CC=C2)C3=CN4C=CC=CC4=N3 Z26398224 [0,1,0,0,0,1|2,0,0]=4 73 B25R4.441814131 O=C(NC1CCOC2=C1C=CC=C2)C3=CC4=C(N3)C=CC=C4 Z73329523 [0,1,0,0,0,1|2,0,0]=4 74 B25R4.441814131 O=C(NC1CCSC2=C1C=CC=C2)C3=CC4=C(N3)C=CC=C4 Z73332158 [0,1,0,0,0,1|2,0,0]=4 75 B25R4.43302066 CN1C(=NC2=C1C=CC=C2)CN3CCCC4=C3C=CC=C4N Z2444796660 [0,2,0,0,0,0|2,0,0]=4 76 B21R2.13144 O=C(NCCCCC1=CC=CC=C1)NC2=CC=CC=C2 Z56766876 [0,0,2,0,0,0|1,0,0]=3 77 B21R2.13144 O=C(NCCCOC1=CC=CC=C1)NC2=CC=CC=C2 Z135246182 [0,0,2,0,0,0|2,0,0]=4 78 B21R2.13144 O=C(NCCCSC1=CC=CC=C1)NC2=CC=CC=C2 Z44579369 [0,0,2,0,0,0|2,0,0]=4 79 B21R2.14186 COCC1=C(C=CC=C1)CNC(=O)NC2=CC=CC=C2 Z339887778 [0,0,2,0,0,0|2,0,0]=4 80 B23R4.6109 C1=CC2=CN=C(N2C=C1)SC3CCCC4=C3C=CC=C4 Z424821900 [0,0,1,1,0,0|1,0,0]=3 81 B23R4.6109 C1=CC2=NN=C(N2C=C1)SC3CCCC4=C3C=CC=C4 Z424818518 [0,0,1,1,0,0|2,0,0]=4 82 B23R4.5382 C1=CC(=CN=C1)C2CCCN2C3=NC4=C(N3)C=CC=C4 Z1541913802 [0,0,1,1,0,0|1,0,0]=3 83 B23R4.1519793 C1=CC(=CN=C1)C(NC2=NC3=C(O2)C=CC=C3)C4CC4 Z1527055846 [0,0,1,1,0,0|2,0,0]=4 84 B23R4.1541696 C1=CC2=C(C=C1)/C(=N\NC3=NC4=C(N3)C=CC=C4)/CC2 Z44868867 [0,0,1,1,0,0|1,0,1]=4 85 B21R3.24493 O=C(NC1=CC=CC=C1)C2CCCC3=C2C=CC=C3 Z300137256 [0,0,1,0,1,0|1,0,0]=3 86 B21R3.24493 O=C(NC1=CC=CC=C1)C2CCOC3=C2C=CC=C3 Z1096208113 [0,0,1,0,1,0|2,0,0]=4 87 B21R3.24493 O=C(NC1=CC=CC=C1)C2OCCC3=C2C=CC=C3 Z1238619794 [0,0,1,0,1,0|2,0,0]=4 88 B21R3.24497 O=C(NC1=CN=CC=C1)NC2CCC3=C2C=CC=C3 Z196020158 [0,0,1,0,1,0|2,0,0]=4 89 B21R3.521193 O=C(NC1CCCC2=C1C=CC=C2)C3=CC=CC=C3 Z26397709 [0,0,1,0,1,0|1,0,0]=3 90 B21R3.521193 O=C(NC1CCCC2=C1C=CC=C2)C3=CC=NC=C3 Z26397651 [0,0,1,0,1,0|2,0,0]=4 91 B21R3.521193 O=C(NC1CCCC2=C1C=CC=C2)C3=CN=CC=C3 Z26397660 [0,0,1,0,1,0|2,0,0]=4 92 B21R3.521193 O=C(NC1CCOC2=C1C=CC=C2)C3=CC=CC=C3 Z54647113 [0,0,1,0,1,0|2,0,0]=4 93 B21R3.521193 O=C(NC1CCSC2=C1C=CC=C2)C3=CC=CC=C3 Z54644659 [0,0,1,0,1,0|2,0,0]=4 94 B21R3.525 OC1=C(C=CC=C1)CNC2CCCC3=C2C=CC=C3 Z335523170 [0,0,1,0,1,0|1,0,1]=4 95 B21R3.2429969 C1=CC=C(C=C1)OCCSC2=NC3=C(N2)C=CC=C3 Z19649713 [0,0,1,0,1,0|2,0,0]=4 96 B21R3.2429969 C1=CC=C(C=C1)SCCNC2=NC3=C(O2)C=CC=C3 Z271510680 [0,0,1,0,1,0|2,0,0]=4 97 B21R4.68891 C1=CC2=C(C=C1)N(CC2)C3=NC4=C(O3)C=CC=C4 Z641408428 [0,0,0,0,2,0|2,0,0]=4 98 B23R3.3783 O=C(CCC1=CC=CC=C1)NC2CCCC3=C2C=CC=C3 Z26397717 [0,0,1,0,0,1|2,0,0]=4 99 B23R3.3783 O=C(COC1=CC=CC=C1)NC2CCCC3=C2C=CC=C3 Z19735211 [0,0,1,0,0,1|2,0,0]=4 100 B23R3.3783 O=C(NCC1=CC=CC=C1)NC2CCCC3=C2C=CC=C3 Z123990524 [0,0,1,0,0,1|1,0,0]=3 101 B23R3.3783 O=C(NCC1=CN=CC=C1)NC2CCCC3=C2C=CC=C3 Z166704912 [0,0,1,0,0,1|2,0,0]=4 102 B23R3.3783 S=C(NCC1=CC=CC=C1)NC2CCCC3=C2C=CC=C3 Z45831000 [0,0,1,0,0,1|1,0,0]=3 103 B23R3.3783 S=C(NNC1=NC=CC=C1)N[C@@H]2CCCC3=C2C=CC=C3 Z3032605007 [0,0,1,0,0,1|2,0,0]=4 104 B23R3.939383 O=C(NC1=CC=NC=C1)NC2CCCOC3=C2C=CC=C3 Z983918132 [0,0,1,0,0,1|2,0,0]=4 105 B23R3.421212 CCOC1=C(C=CC=C1)/C=N/NC2=NC3=C(N2)C=CC=C3 Z44868839 [0,0,1,0,0,1|1,0,1]=4 106 B23R3.3869082 C1=CC=C(C=C1)COCCCNC2=NC3=C(S2)C=CC=C3 Z128201094 [0,0,1,0,0,1|1,0,0]=3 107 B23R3.3869082 C1=CC=C(C=C1)OCCCCNC2=NC3=C(O2)C=CC=C3 Z244394952 [0,0,1,0,0,1|1,0,0]=3 108 B23R3.27290673 COC1=C(C=CC=C1)/C(=N/NC2=NC3=C(N2)C=CC=C3)/C Z44868757 [0,0,1,0,0,1|1,0,1]=4 109 B23R3.27290673 COC1=C(C=CC=C1)C(C)NCC2=NC3=C(S2)C=CC=C3 Z55005964 [0,0,1,0,0,1|2,0,0]=4 110 B23R4.1529622 C1=CC2=C(C=C1)N=C(N=C2)NC3CSC4=C3C=CC=C4 Z3401859662 [0,0,0,0,1,1|1,0,1]=4 111 B25R4.9214497 C1=CC2=C(C=C1)/C(=N\NC3=NC4=C(N3)C=CC=C4)/CCCC2 Z44868621 [0,0,0,0,0,2|0,0,1]=3 112 B25R4.1701907 C1=CC2=C(C=C1)N(CCC2)CCNC3=NC4=C(O3)C=CC=C4 Z729847298 [0,0,0,0,0,2|2,0,0]=4