0 B22R4.4058 c1ccc(cc1)c2nn3c(s2)nnc3c4ccco4 Amb1153542 [0,0,0,0,0,0|2,1,0]=3 1 B22R4.4058 c1ccc(cn1)c2nn3c(s2)nnc3c4cccs4 Amb1088629 [0,0,0,0,0,0|1,0,0]=1 2 B22R4.4058 c1ccc(cn1)c2nn3c(s2)nnc3c4cscc4 Amb12805880 [0,0,0,0,0,0|3,0,0]=3 3 B23R4.14740 Brc1ccc(s1)c2nnc3n2nc(s3)c4cccnc4 Amb16197860 [0,1,0,0,0,0|1,0,0]=2 4 B23R4.14740 Brc1ccc(s1)c2nnc3n2nc(s3)c4ccncc4 Amb16198078 [0,1,0,0,0,0|3,0,0]=4 5 B23R4.14740 Brc1ccc(s1)c2nnc3n2nc(s3)c4cnccn4 Amb16198621 [0,1,0,0,0,0|0,0,0]=1 6 B23R4.14740 C[n]1cc(c[n]1)-c2[n][n]c3[s]c([n][n]32)-c4c[n]cc[n]4 Amb19881644 [0,1,0,0,0,0|3,0,0]=4 7 B23R4.14740 Cc1[nH]nc(c1)c2nnc3n2nc(s3)c4cccnc4 Amb10233177 [0,1,0,0,0,0|3,0,0]=4 8 B23R4.14903 Brc1ccc(cc1)c2nn3c(s2)nnc3c4ccco4 Amb1093062 [0,1,0,0,0,0|2,1,0]=4 9 B23R4.14903 Brc1ccc(cc1)c2nn3c(s2)nnc3c4cccs4 Amb2153106 [0,1,0,0,0,0|2,0,0]=3 10 B23R4.14903 Clc1ccc(cc1)c2nn3c(s2)nnc3c4ccco4 Amb1093063 [0,1,0,0,0,0|2,1,0]=4 11 B23R4.14903 Fc1ccc(cc1)c2nn3c(s2)nnc3c4cccs4 Amb1087270 [0,1,0,0,0,0|2,0,0]=3 12 B23R4.14903 Nc1ccc(cc1)c2nn3c(s2)nnc3c4ccco4 Amb17193686 [0,1,0,0,0,0|2,1,0]=4 13 B23R4.14903 Nc1ccc(cc1)c2nn3c(s2)nnc3c4cccs4 Amb17193687 [0,1,0,0,0,0|2,0,0]=3 14 B23R4.15491 Brc1cccc(c1)c2nn3c(s2)nnc3c4cccs4 Amb1098851 [0,1,0,0,0,0|2,0,0]=3 15 B23R4.25412 Cc1[n][n][s]c1-c2[n][n]c3[s]c([n][n]23)-c4c[n]ccc4 Amb19873513 [0,1,0,0,0,0|3,0,0]=4 16 B23R4.25412 Cc1[n][n][s]c1-c2[n][n]c3[s]c([n][n]32)-c4c[n]cc[n]4 Amb21923667 [0,1,0,0,0,0|2,0,0]=3 17 B23R4.26761 Ic1ccccc1c2sc3n(n2)c(nn3)c4cccs4 Amb1951084 [0,1,0,0,0,0|2,0,0]=3 18 B23R4.26761 Nc1ccccc1c2sc3n(n2)c(nn3)c4ccco4 Amb17193655 [0,1,0,0,0,0|2,1,0]=4 19 B23R4.26761 Nc1ccccc1c2sc3n(n2)c(nn3)c4cccs4 Amb17193654 [0,1,0,0,0,0|2,0,0]=3 20 B21R3.24455 O=C(Nc1[n][n]c(o1)-c2ccc[s]2)c3c[n]cc[n]3 Amb21939965 [0,0,1,0,0,0|3,0,0]=4 21 B21R3.215311 Cn1c(SCc2ccccn2)nnc1c3cccs3 Amb218120 [0,0,1,0,0,0|2,0,1]=4 22 B21R3.215311 Nn1c(SCc2cccnc2)nnc1c3cccs3 Amb11270213 [0,0,1,0,0,0|1,0,2]=4 23 B21R4.3047 c1coc(c1)c2nnc3n2nc(s3)c4[nH]ncc4 Amb10083329 [0,0,0,0,1,0|1,1,0]=3 24 B21R4.3047 c1coc(c1)c2nnc3n2nc(s3)c4csnn4 Amb10080905 [0,0,0,0,1,0|2,1,0]=4 25 B21R4.3047 c1coc(c1)c2sc3n(n2)c(nn3)c4ccco4 Amb1257217 [0,0,0,0,1,0|1,1,0]=3 26 B21R4.3047 c1csc(c1)c2nnc3n2nc(s3)c4[nH]ncc4 Amb10082376 [0,0,0,0,1,0|1,0,0]=2 27 B21R4.3047 c1csc(c1)c2nnc3n2nc(s3)c4csnn4 Amb10079533 [0,0,0,0,1,0|2,0,0]=3 28 B21R4.3047 s1ccc(c1)c2nnc3n2nc(s3)c4[nH]ncc4 Amb19141999 [0,0,0,0,1,0|3,0,0]=4 29 B21R4.3047 s1ccc(c1)c2nnc3n2nc(s3)c4cccs4 Amb12805872 [0,0,0,0,1,0|3,0,0]=4 30 B21R4.3047 s1ccc(c1)c2sc3n(n2)c(nn3)c4ccco4 Amb1100981 [0,0,0,0,1,0|1,1,0]=3 31 B21R4.3047 s1ccc(c1)c2sc3n(n2)c(nn3)c4cccs4 Amb1101168 [0,0,0,0,1,0|1,0,0]=2 32 B21R4.3047 s1ccc(c1)c2sc3n(n2)c(nn3)c4ccsc4 Amb12805873 [0,0,0,0,1,0|3,0,0]=4 33 B23R4.5416 c1[n]cccc1-c2[n]c3[n]ccc(-c4ccc[s]4)[n]3[n]2 Amb19926064 [0,0,0,0,0,1|3,0,0]=4 34 B23R4.5532 c1ccc(cn1)c2nn3c(s2)nnc3c4cnccn4 Amb1090708 [0,0,0,0,0,1|2,0,0]=3 35 B23R4.5532 c1cnc(cn1)c2nn3c(s2)nnc3c4cnccn4 Amb1090769 [0,0,0,0,0,1|1,0,0]=2 36 B23R4.1518649 c1ccc(cc1)Nc2nn3c(s2)nnc3c4cccs4 Amb1093128 [0,0,0,0,0,1|2,0,0]=3 37 B22R3.670471 Sc1nnc(n1\N=C\c2ccccc2O)c3cccs3 Amb2410829 [0,1,1,0,0,0|2,0,0]=4 38 B22R3.1028784 Cc1ccc(cc1)\C=N\n2c(S)nnc2c3cccs3 Amb2410823 [0,1,1,0,0,0|2,0,0]=4 39 B22R3.1028784 Fc1ccc(cc1)\C=N\n2c(S)nnc2c3cccs3 Amb2410801 [0,1,1,0,0,0|2,0,0]=4 40 B22R3.10819 Cc1ccc(s1)c2nnc([nH]2)NC(=O)c3cnccn3 Amb15634213 [0,1,1,0,0,0|2,0,0]=4 41 B22R4.9494 Brc1ccc(s1)c2nn3c(s2)nnc3c4ccco4 Amb19136378 [0,1,0,0,1,0|1,1,0]=4 42 B22R4.9494 Brc1ccc(s1)c2nn3c(s2)nnc3c4cccs4 Amb13781552 [0,1,0,0,1,0|1,0,0]=3 43 B22R4.9494 Cc1[nH]nc(c1)c2nn3c(s2)nnc3c4ccco4 Amb1101169 [0,1,0,0,1,0|1,1,0]=4 44 B22R4.9494 Cc1[nH]nc(c1)c2nn3c(s2)nnc3c4cccs4 Amb1093113 [0,1,0,0,1,0|1,0,0]=3 45 B22R4.9494 Cc1cc([n]o1)-c2[n][n]3c([n][n]c3-c4ccc[s]4)[s]2 Amb22014685 [0,1,0,0,1,0|1,0,0]=3 46 B22R4.9494 Cc1cc([n]o1)-c2[n][n]3c([n][n]c3-c4ccco4)[s]2 Amb22015021 [0,1,0,0,1,0|1,1,0]=4 47 B22R4.9494 Cc1cc(o[n]1)-c2[n][n]3c([n][n]c3-c4ccc[s]4)[s]2 Amb22034138 [0,1,0,0,1,0|1,0,0]=3 48 B22R4.9494 Cc1cc(o[n]1)-c2[n][n]3c([n][n]c3-c4ccco4)[s]2 Amb22013413 [0,1,0,0,1,0|1,1,0]=4 49 B22R4.9494 Cc1coc(n1)c2nn3c(s2)nnc3c4ccco4 Amb15772598 [0,1,0,0,1,0|1,1,0]=4 50 B22R4.9494 Cc1coc(n1)c2nn3c(s2)nnc3c4cccs4 Amb15772701 [0,1,0,0,1,0|1,0,0]=3 51 B22R4.9494 Cc1occ(n1)c2nn3c(s2)nnc3c4ccco4 Amb16198727 [0,1,0,0,1,0|1,1,0]=4 52 B22R4.9494 Cc1occ(n1)c2nn3c(s2)nnc3c4cccs4 Amb16193975 [0,1,0,0,1,0|1,0,0]=3 53 B22R4.9494 Cn1ncc(c1)c2nn3c(s2)nnc3c4ccco4 Amb12806658 [0,1,0,0,1,0|1,1,0]=4 54 B22R4.9494 Cn1ncc(c1)c2nn3c(s2)nnc3c4cccs4 Amb13782910 [0,1,0,0,1,0|1,0,0]=3 55 B22R4.9614 Brc1ccc(s1)c2nnc3n2nc(s3)c4ccco4 Amb16197736 [0,1,0,0,1,0|1,0,0]=3 56 B22R4.9614 Brc1ccc(s1)c2nnc3n2nc(s3)c4ccn[nH]4 Amb16194381 [0,1,0,0,1,0|1,0,0]=3 57 B22R4.9614 Brc1ccc(s1)c2nnc3n2nc(s3)c4cscc4 Amb16197488 [0,1,0,0,1,0|1,0,0]=3 58 B22R4.9614 Brc1ccc(s1)c2nnc3n2nc(s3)c4csnn4 Amb16199077 [0,1,0,0,1,0|2,0,0]=4 59 B22R4.16186 Brc1c[nH]nc1c2nn3c(s2)nnc3c4ccco4 Amb10080914 [0,1,0,0,1,0|1,1,0]=4 60 B22R4.16186 Brc1c[nH]nc1c2nn3c(s2)nnc3c4cccs4 Amb10080340 [0,1,0,0,1,0|1,0,0]=3 61 B22R4.16186 Brc1cn[nH]c1c2nn3c(s2)nnc3c4ccco4 Amb10239731 [0,1,0,0,1,0|1,1,0]=4 62 B22R4.16186 Cc1[nH]ncc1c2nn3c(s2)nnc3c4ccco4 Amb19136261 [0,1,0,0,1,0|1,1,0]=4 63 B22R4.16186 Cc1[nH]ncc1c2nn3c(s2)nnc3c4cccs4 Amb16197163 [0,1,0,0,1,0|1,0,0]=3 64 B22R4.16186 Cc1nnsc1c2nn3c(s2)nnc3c4cccs4 Amb10075797 [0,1,0,0,1,0|2,0,0]=4 65 B22R4.16186 Clc1c[nH][n]c1-c2[n][n]3c([n][n]c3[s]2)-c4ccc[s]4 Amb19927367 [0,1,0,0,1,0|1,0,0]=3 66 B22R4.16186 Clc1cn[nH]c1c2nn3c(s2)nnc3c4ccco4 Amb19145970 [0,1,0,0,1,0|1,1,0]=4 67 B22R4.16186 Cn1nccc1c2sc3n(n2)c(nn3)c4ccco4 Amb10793992 [0,1,0,0,1,0|1,1,0]=4 68 B22R4.16186 Cn1nccc1c2sc3n(n2)c(nn3)c4cccs4 Amb10793993 [0,1,0,0,1,0|1,0,0]=3 69 B24R4.22342 Cc1ccc(cn1)c2nn3c(s2)nnc3c4ccccn4 Amb10072915 [0,1,0,0,0,1|2,0,0]=4 70 B24R4.22513 Clc1ccc(cc1)c2nnc3n2nc(s3)c4cnccn4 Amb1090231 [0,1,0,0,0,1|1,0,0]=3 71 B24R4.23545 Brc1cccc(c1)c2nnc3n2nc(s3)c4cccnc4 Amb2548275 [0,1,0,0,0,1|2,0,0]=4 72 B24R4.23545 Fc1cccc(c1)c2nnc3n2nc(s3)c4ccccn4 Amb1098959 [0,1,0,0,0,1|2,0,0]=4 73 B24R4.23545 Fc1cccc(c1)c2nnc3n2nc(s3)c4cccnc4 Amb1098474 [0,1,0,0,0,1|2,0,0]=4 74 B24R4.23545 Fc1cccc(c1)c2nnc3n2nc(s3)c4cnccn4 Amb1098961 [0,1,0,0,0,1|1,0,0]=3 75 B24R4.40926 Cc1ccccc1c2nnc3n2nc(s3)c4cnccn4 Amb1919025 [0,1,0,0,0,1|1,0,0]=3 76 B24R4.40926 Clc1ccccc1c2nnc3n2nc(s3)c4cnccn4 Amb10078586 [0,1,0,0,0,1|1,0,0]=3 77 B24R4.40926 Fc1ccccc1c2nnc3n2nc(s3)c4cccnc4 Amb12806091 [0,1,0,0,0,1|2,0,0]=4 78 B24R4.40926 Fc1ccccc1c2nnc3n2nc(s3)c4cnccn4 Amb13779342 [0,1,0,0,0,1|1,0,0]=3 79 B24R4.129166 Clc1ccc(cc1)Nc2nn3c(s2)nnc3c4cccs4 Amb1093508 [0,1,0,0,0,1|2,0,0]=4 80 B24R4.129166 Fc1ccc(cc1)Cc2nn3c(s2)nnc3c4cccs4 Amb10083638 [0,1,0,0,0,1|2,0,0]=4 81 B24R4.80395 CC1Sc2nnc(n2N=C1c3ccccc3)c4cccs4 Amb2413481 [0,1,0,0,0,1|2,0,0]=4 82 B24R4.2018213 Brc1ccc(cc1)C2=Nn3c(SC2)nnc3c4cccs4 Amb1086872 [0,1,0,0,0,1|2,0,0]=4 83 B24R4.2018213 Cc1ccc(cc1)C2=Nn3c(SC2)nnc3c4cccs4 Amb16521744 [0,1,0,0,0,1|2,0,0]=4 84 B24R4.3323471 C[n]1[n]c(C)cc1-c2[n][n]c3[s]c([n][n]23)-c4c[n]cc[n]4 Amb22013174 [0,2,0,0,0,0|2,0,0]=4 85 B24R4.2404 COc1ccc(cc1)c2nn3c(s2)nnc3c4cccs4 Amb1087666 [0,2,0,0,0,0|2,0,0]=4 86 B24R4.127564 Cc1ccc(cc1C)c2nn3c(s2)nnc3c4cccs4 Amb1951083 [0,2,0,0,0,0|2,0,0]=4 87 B24R4.127564 Clc1ccc(cc1Cl)c2nn3c(s2)nnc3c4cccs4 Amb1951085 [0,2,0,0,0,0|2,0,0]=4 88 B24R4.3844814 Clc1ccc(c(c1)Cl)c2nn3c(s2)nnc3c4cccs4 Amb1086877 [0,2,0,0,0,0|2,0,0]=4 89 B24R4.3844814 Fc1ccc(c(c1)F)c2nn3c(s2)nnc3c4cccs4 Amb1100275 [0,2,0,0,0,0|2,0,0]=4 90 B24R4.10320 COc1cccc(c1)c2nn3c(s2)nnc3c4cccs4 Amb1951086 [0,2,0,0,0,0|2,0,0]=4 91 B24R4.2128220 Clc1ccc(c(c1)c2sc3n(n2)c(nn3)c4cccs4)Cl Amb2153107 [0,2,0,0,0,0|2,0,0]=4 92 B24R4.2128220 Fc1ccc(c(c1)c2sc3n(n2)c(nn3)c4cccs4)F Amb1100276 [0,2,0,0,0,0|2,0,0]=4 93 B24R4.2060147 C[n]1[n]cc(Cl)c1-c2[n][n]c3[s]c([n][n]32)-c4c[n]cc[n]4 Amb22013683 [0,2,0,0,0,0|2,0,0]=4 94 B24R4.17845475 Fc1cccc(c1c2sc3n(n2)c(nn3)c4cccs4)Cl Amb13779632 [0,2,0,0,0,0|2,0,0]=4 95 B20R3.96004 Sc1nnc(n1\N=C\c2ccco2)c3cccs3 Amb2413473 [0,0,1,0,1,0|1,0,0]=3 96 B20R3.96004 Sc1nnc(n1\N=C\c2cccs2)c3cccs3 Amb2413474 [0,0,1,0,1,0|1,0,0]=3 97 B22R3.11965 Sc1nnc(n1N=Cc2ccccn2)c3ccccc3 Amb1822861 [0,0,1,0,0,1|2,0,0]=4 98 B22R3.11965 Sc1nnc(n1N=Cc2cccnc2)c3ccccc3 Amb1823258 [0,0,1,0,0,1|2,0,0]=4 99 B22R4.1466417 c1csc(c1)C2=Nn3c(SC2)nnc3c4cccs4 Amb2335072 [0,0,0,0,1,1|1,0,0]=3 100 B24R4.1585474 c1ccc(cn1)\C=C\c2nn3c(s2)nnc3c4cccs4 Amb1087988 [0,0,0,0,0,2|1,0,0]=3