0 B22R3.1075 Cc1cc(n[nH]c1=O)SCc2cccc3c2cccc3 62a_100011261445_100012187101 [0,0,0,0,0,0|2,0,0]=2 1 B22R3.1075 Cc1cc(n[nH]c1=O)SCc2cccc3c2ccnc3 62a_100016989825_100012187101 [0,0,0,0,0,0|3,0,0]=3 2 B22R3.1075 Cc1cc(n[nH]c1=O)SCc2ccnc3c2cccc3 62a_100015192512_100012187101 [0,0,0,0,0,0|3,0,0]=3 3 B22R3.1075 Cc1cc(n[nH]c1=O)SCc2nccc3c2cccc3 62a_100000033776_100012187101 [0,0,0,0,0,0|3,0,0]=3 4 B22R3.1075 Cc1cc(ncc1Br)CNc2cccc3c2cccc3 207a_100000185869_100009814806 [0,0,0,0,0,0|4,0,0]=4 5 B22R3.1075 Cc1cc(ncc1Br)OCc2cccc3c2cccc3 34a_100000766222_100011261445 [0,0,0,0,0,0|4,0,0]=4 6 B22R3.1075 Cc1cc(ncc1Br)SCc2cccc3c2cccc3 62a_100011261445_100012356354 [0,0,0,0,0,0|4,0,0]=4 7 B22R3.1075 Cc1cc(ncc1Br)SCc2cccc3c2cccc3 62a_100012356354_100000188474 [0,0,0,0,0,0|4,0,0]=4 8 B22R3.1075 Cc1cc(ncc1Cl)OCc2cccc3c2cccc3 34a_200000085746_100011261445 [0,0,0,0,0,0|4,0,0]=4 9 B22R3.1075 Cc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100009818257_100000188474 [0,0,0,0,0,0|4,0,0]=4 10 B22R3.1075 Cc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100011261445_100009818257 [0,0,0,0,0,0|4,0,0]=4 11 B22R3.1075 Cc1cc(ncc1N)SCc2cccc3c2cccc3 62a_100000067204_100000188474 [0,0,0,0,0,0|4,0,0]=4 12 B22R3.1075 Cc1cc(ncc1N)SCc2cccc3c2cccc3 62a_100011261445_100000067204 [0,0,0,0,0,0|4,0,0]=4 13 B22R3.1075 Cc1cc(ncc1O)SCc2cccc3c2cccc3 62a_100011261445_100000692680 [0,0,0,0,0,0|3,0,1]=4 14 B22R3.1075 Cc1cc(nnc1N)SCc2cccc3c2cccc3 62a_100011261445_100153394926 [0,0,0,0,0,0|3,0,1]=4 15 B22R3.1075 Cc1cc(nnc1N)SCc2cccc3c2cccc3 62a_100153394926_100000188474 [0,0,0,0,0,0|3,0,1]=4 16 B22R3.1075 Cc1ccc(cc1O)NCc2cccc3c2cccc3 270302a_100000759471_100000210074 [0,0,0,0,0,0|4,0,0]=4 17 B22R3.1075 Cc1ccc(cc1O)NCc2cccc3c2cccc3 34a_100000759471_100011261445 [0,0,0,0,0,0|4,0,0]=4 18 B22R3.1075 Cc1ccc(cc1O)NCc2cccc3c2cccc3 7a_100000759471_100011261445 [0,0,0,0,0,0|4,0,0]=4 19 B22R3.1075 Cc1ccc(cc1O)SCc2cccc3c2cccc3 62a_100000685420_100000188474 [0,0,0,0,0,0|4,0,0]=4 20 B22R3.1075 Cc1ccc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100000685420 [0,0,0,0,0,0|4,0,0]=4 21 B22R3.1075 Cc1cnc(cc1Br)CNc2cccc3c2cccc3 207a_100000185869_100010174032 [0,0,0,0,0,0|4,0,0]=4 22 B22R3.1075 Cc1cnc(cc1Br)OCc2cccc3c2cccc3 34a_100009831917_100011261445 [0,0,0,0,0,0|4,0,0]=4 23 B22R3.1075 Cc1cnc(cc1C)SCc2cccc3c2cccc3 62a_100009850809_100000188474 [0,0,0,0,0,0|4,0,0]=4 24 B22R3.1075 Cc1cnc(cc1C)SCc2cccc3c2cccc3 62a_100011261445_100009850809 [0,0,0,0,0,0|4,0,0]=4 25 B22R3.1075 Cc1cnc(cc1F)NCc2cccc3c2cccc3 27a_100000753325_100009841206 [0,0,0,0,0,0|4,0,0]=4 26 B22R3.1075 Cc1cnc(cc1F)SCc2cccc3c2cccc3 62a_100009841206_100000188474 [0,0,0,0,0,0|4,0,0]=4 27 B22R3.1075 Cc1cnc(cc1F)SCc2cccc3c2cccc3 62a_100011261445_100009841206 [0,0,0,0,0,0|4,0,0]=4 28 B22R3.1075 Cc1cnc(cc1N)SCc2cccc3c2cccc3 62a_100000126663_100000188474 [0,0,0,0,0,0|4,0,0]=4 29 B22R3.1075 Cc1cnc(cc1N)SCc2cccc3c2cccc3 62a_100011261445_100000126663 [0,0,0,0,0,0|4,0,0]=4 30 B22R3.1075 Cc1cnc(cc1O)SCc2cccc3c2cccc3 62a_100000704368_100000188474 [0,0,0,0,0,0|3,0,0]=3 31 B22R3.1075 Cc1cnc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100000704368 [0,0,0,0,0,0|3,0,0]=3 32 B22R3.1075 Cc1cnc(cc1O)SCc2cccc3c2ccnc3 62a_100000704368_100016989825 [0,0,0,0,0,0|4,0,0]=4 33 B22R3.1075 Cc1cnc(cc1O)SCc2cccc3c2ccnc3 62a_100016989825_100000704368 [0,0,0,0,0,0|4,0,0]=4 34 B22R3.1075 Cc1cnc(cc1O)SCc2cccc3c2nccc3 62a_100000704368_100000241032 [0,0,0,0,0,0|4,0,0]=4 35 B22R3.1075 Cc1cnc(cc1O)SCc2ccnc3c2cccc3 62a_100000704368_100015192512 [0,0,0,0,0,0|4,0,0]=4 36 B22R3.1075 Cc1cnc(cc1O)SCc2ccnc3c2cccc3 62a_100015192512_100000704368 [0,0,0,0,0,0|4,0,0]=4 37 B22R3.1075 Cc1cnc(cc1O)SCc2nccc3c2cccc3 62a_100000033776_100000704368 [0,0,0,0,0,0|4,0,0]=4 38 B22R3.1075 Cc1cnc(cc1O)SCc2nccc3c2cccc3 62a_100000704368_100000033776 [0,0,0,0,0,0|4,0,0]=4 39 B22R3.1075 Cc1nc(c[nH]c1=O)SCc2cccc3c2cccc3 62a_100010363809_100000188474 [0,0,0,0,0,0|4,0,0]=4 40 B22R3.1075 Cc1nc(c[nH]c1=O)SCc2cccc3c2cccc3 62a_100011261445_100010363809 [0,0,0,0,0,0|4,0,0]=4 41 B22R3.1075 Cc1ncc(cc1O)SCc2cccc3c2cccc3 62a_100009864810_100000188474 [0,0,0,0,0,0|3,0,1]=4 42 B22R3.1075 Cc1ncc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100009864810 [0,0,0,0,0,0|3,0,1]=4 43 B22R3.1075 Clc1cc(ncc1Br)OCc2cccc3c2cccc3 34a_100010369989_100011261445 [0,0,0,0,0,0|4,0,0]=4 44 B22R3.1075 Clc1cnc(cc1Cl)OCc2cccc3c2cccc3 34a_200000099200_100011261445 [0,0,0,0,0,0|4,0,0]=4 45 B22R3.1075 Cn1cc(ncc1=O)SCc2cccc3c2cccc3 62a_100009843036_100000188474 [0,0,0,0,0,0|4,0,0]=4 46 B22R3.1075 Cn1cc(ncc1=O)SCc2cccc3c2cccc3 62a_100011261445_100009843036 [0,0,0,0,0,0|4,0,0]=4 47 B22R3.1075 Nc1cc(n[nH]c1=O)SCc2cccc3c2cccc3 62a_100011261445_100000102183 [0,0,0,0,0,0|2,0,0]=2 48 B22R3.1075 Nc1cc(n[nH]c1=O)SCc2cccc3c2ccnc3 62a_100016989825_100000102183 [0,0,0,0,0,0|3,0,0]=3 49 B22R3.1075 Nc1cc(n[nH]c1=O)SCc2ccnc3c2cccc3 62a_100015192512_100000102183 [0,0,0,0,0,0|3,0,0]=3 50 B22R3.1075 Nc1cc(n[nH]c1=O)SCc2nccc3c2cccc3 62a_100000033776_100000102183 [0,0,0,0,0,0|3,0,0]=3 51 B22R3.1075 Nc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100000126464_100000188474 [0,0,0,0,0,0|4,0,0]=4 52 B22R3.1075 Nc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100011261445_100000126464 [0,0,0,0,0,0|4,0,0]=4 53 B22R3.1075 Nc1cc(ncc1O)SCc2cccc3c2cccc3 62a_100009819941_100000188474 [0,0,0,0,0,0|3,0,1]=4 54 B22R3.1075 Nc1cc(ncc1O)SCc2cccc3c2cccc3 62a_100011261445_100009819941 [0,0,0,0,0,0|3,0,1]=4 55 B22R3.1075 Nc1ccc(cc1O)SCc2cccc3c2cccc3 62a_100000739049_100000188474 [0,0,0,0,0,0|4,0,0]=4 56 B22R3.1075 Nc1ccc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100000739049 [0,0,0,0,0,0|4,0,0]=4 57 B22R3.1075 Nc1cnc(cc1N)SCc2cccc3c2cccc3 62a_100000067514_100000188474 [0,0,0,0,0,0|4,0,0]=4 58 B22R3.1075 Nc1cnc(cc1N)SCc2cccc3c2cccc3 62a_100011261445_100000067514 [0,0,0,0,0,0|4,0,0]=4 59 B22R3.1075 Nc1ncc(cc1O)SCc2cccc3c2cccc3 62a_100009819042_100000188474 [0,0,0,0,0,0|3,0,1]=4 60 B22R3.1075 Nc1ncc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100009819042 [0,0,0,0,0,0|3,0,1]=4 61 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2cccc3c2cccc3 62a_100010125443_100000188474 [0,0,0,0,0,0|3,0,0]=3 62 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2cccc3c2cccc3 62a_100011261445_100010125443 [0,0,0,0,0,0|3,0,0]=3 63 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2cccc3c2ccnc3 62a_100010125443_100016989825 [0,0,0,0,0,0|4,0,0]=4 64 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2cccc3c2ccnc3 62a_100016989825_100010125443 [0,0,0,0,0,0|4,0,0]=4 65 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2cccc3c2nccc3 62a_100010125443_100000241032 [0,0,0,0,0,0|4,0,0]=4 66 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2ccnc3c2cccc3 62a_100010125443_100015192512 [0,0,0,0,0,0|4,0,0]=4 67 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2ccnc3c2cccc3 62a_100015192512_100010125443 [0,0,0,0,0,0|4,0,0]=4 68 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2nccc3c2cccc3 62a_100000033776_100010125443 [0,0,0,0,0,0|4,0,0]=4 69 B22R3.1075 O=c1[nH]cc(cc1Br)SCc2nccc3c2cccc3 62a_100010125443_100000033776 [0,0,0,0,0,0|4,0,0]=4 70 B22R3.1075 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cccc3 207a_100000185869_100000051075 [0,0,0,0,0,0|3,0,0]=3 71 B22R3.1075 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cccn3 207a_100000183906_100000051075 [0,0,0,0,0,0|4,0,0]=4 72 B22R3.1075 O=c1[nH]cc(cc1Cl)CNc2cccc3c2ccnc3 207a_100000210097_100000051075 [0,0,0,0,0,0|4,0,0]=4 73 B22R3.1075 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cncc3 207a_100000065885_100000051075 [0,0,0,0,0,0|4,0,0]=4 74 B22R3.1075 O=c1[nH]cc(cc1Cl)CNc2cccc3c2nccc3 207a_100000181377_100000051075 [0,0,0,0,0,0|4,0,0]=4 75 B22R3.1075 O=c1[nH]cc(cc1F)SCc2cccc3c2cccc3 62a_100000723523_100000188474 [0,0,0,0,0,0|3,0,0]=3 76 B22R3.1075 O=c1[nH]cc(cc1F)SCc2cccc3c2cccc3 62a_100011261445_100000723523 [0,0,0,0,0,0|3,0,0]=3 77 B22R3.1075 O=c1[nH]cc(cc1F)SCc2cccc3c2ccnc3 62a_100000723523_100016989825 [0,0,0,0,0,0|4,0,0]=4 78 B22R3.1075 O=c1[nH]cc(cc1F)SCc2cccc3c2ccnc3 62a_100016989825_100000723523 [0,0,0,0,0,0|4,0,0]=4 79 B22R3.1075 O=c1[nH]cc(cc1F)SCc2cccc3c2nccc3 62a_100000723523_100000241032 [0,0,0,0,0,0|4,0,0]=4 80 B22R3.1075 O=c1[nH]cc(cc1F)SCc2ccnc3c2cccc3 62a_100000723523_100015192512 [0,0,0,0,0,0|4,0,0]=4 81 B22R3.1075 O=c1[nH]cc(cc1F)SCc2ccnc3c2cccc3 62a_100015192512_100000723523 [0,0,0,0,0,0|4,0,0]=4 82 B22R3.1075 O=c1[nH]cc(cc1F)SCc2nccc3c2cccc3 62a_100000033776_100000723523 [0,0,0,0,0,0|4,0,0]=4 83 B22R3.1075 O=c1[nH]cc(cc1F)SCc2nccc3c2cccc3 62a_100000723523_100000033776 [0,0,0,0,0,0|4,0,0]=4 84 B22R3.1075 O=c1[nH]cc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100009814561 [0,0,0,0,0,0|2,0,0]=2 85 B22R3.1075 O=c1[nH]cc(cc1O)SCc2cccc3c2ccnc3 62a_100016989825_100009814561 [0,0,0,0,0,0|3,0,0]=3 86 B22R3.1075 O=c1[nH]cc(cc1O)SCc2ccnc3c2cccc3 62a_100015192512_100009814561 [0,0,0,0,0,0|3,0,0]=3 87 B22R3.1075 O=c1[nH]cc(cc1O)SCc2nccc3c2cccc3 62a_100000033776_100009814561 [0,0,0,0,0,0|3,0,0]=3 88 B22R3.1075 Oc1cc(ccc1Br)SCc2cccc3c2cccc3 62a_100011261445_100012356990 [0,0,0,0,0,0|4,0,0]=4 89 B22R3.1075 Oc1cc(ccc1Br)SCc2cccc3c2cccc3 62a_100012356990_100000188474 [0,0,0,0,0,0|4,0,0]=4 90 B22R3.1075 Oc1cc(ccc1Cl)NCc2cccc3c2cccc3 270302a_100011934209_100000210074 [0,0,0,0,0,0|4,0,0]=4 91 B22R3.1075 Oc1cc(ccc1Cl)NCc2cccc3c2cccc3 34a_100011934209_100011261445 [0,0,0,0,0,0|4,0,0]=4 92 B22R3.1075 Oc1cc(ccc1Cl)SCc2cccc3c2cccc3 62a_100011261445_100011356854 [0,0,0,0,0,0|4,0,0]=4 93 B22R3.1075 Oc1cc(ccc1Cl)SCc2cccc3c2cccc3 62a_100011356854_100000188474 [0,0,0,0,0,0|4,0,0]=4 94 B22R3.1075 Oc1cc(ccc1F)NCc2cccc3c2cccc3 270302a_100012017398_100000210074 [0,0,0,0,0,0|4,0,0]=4 95 B22R3.1075 Oc1cc(ccc1F)NCc2cccc3c2cccc3 34a_100012017398_100011261445 [0,0,0,0,0,0|4,0,0]=4 96 B22R3.1075 Oc1cc(ccc1F)NCc2cccc3c2cccc3 7a_100012017398_100011261445 [0,0,0,0,0,0|4,0,0]=4 97 B22R3.1075 Oc1cc(ccc1F)SCc2cccc3c2cccc3 62a_100000686035_100000188474 [0,0,0,0,0,0|4,0,0]=4 98 B22R3.1075 Oc1cc(ccc1F)SCc2cccc3c2cccc3 62a_100011261445_100000686035 [0,0,0,0,0,0|4,0,0]=4 99 B22R3.1075 Oc1cc(cnc1F)SCc2cccc3c2cccc3 62a_100009819871_100000188474 [0,0,0,0,0,0|3,0,1]=4 100 B22R3.1075 Oc1cc(cnc1F)SCc2cccc3c2cccc3 62a_100011261445_100009819871 [0,0,0,0,0,0|3,0,1]=4 101 B22R3.1075 Oc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100009854642_100000188474 [0,0,0,0,0,0|3,0,0]=3 102 B22R3.1075 Oc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100011261445_100009854642 [0,0,0,0,0,0|3,0,0]=3 103 B22R3.1075 Oc1cc(ncc1F)SCc2cccc3c2ccnc3 62a_100009854642_100016989825 [0,0,0,0,0,0|4,0,0]=4 104 B22R3.1075 Oc1cc(ncc1F)SCc2cccc3c2ccnc3 62a_100016989825_100009854642 [0,0,0,0,0,0|4,0,0]=4 105 B22R3.1075 Oc1cc(ncc1F)SCc2cccc3c2nccc3 62a_100009854642_100000241032 [0,0,0,0,0,0|4,0,0]=4 106 B22R3.1075 Oc1cc(ncc1F)SCc2ccnc3c2cccc3 62a_100009854642_100015192512 [0,0,0,0,0,0|4,0,0]=4 107 B22R3.1075 Oc1cc(ncc1F)SCc2ccnc3c2cccc3 62a_100015192512_100009854642 [0,0,0,0,0,0|4,0,0]=4 108 B22R3.1075 Oc1cc(ncc1F)SCc2nccc3c2cccc3 62a_100000033776_100009854642 [0,0,0,0,0,0|4,0,0]=4 109 B22R3.1075 Oc1cc(ncc1F)SCc2nccc3c2cccc3 62a_100009854642_100000033776 [0,0,0,0,0,0|4,0,0]=4 110 B22R3.1075 Oc1ccc(cc1O)NCc2cccc3c2cccc3 34a_100102946323_100011261445 [0,0,0,0,0,0|3,0,1]=4 111 B22R3.1075 Oc1ccc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100009813601 [0,0,0,0,0,0|3,0,1]=4 112 B22R3.1075 Oc1nc(ncc1F)NCc2cccc3c2cccc3 27a_100000753325_100011995740 [0,0,0,0,0,0|4,0,0]=4 113 B22R3.1075 Oc1nc(ncc1F)SCc2cccc3c2cccc3 62a_100011261445_100011995740 [0,0,0,0,0,0|4,0,0]=4 114 B21R3.863 Brc1ccc(nc1)CNc2cccc3c2cccc3 207a_100000185869_100000754260 [1,0,0,0,0,0|3,0,0]=4 115 B21R3.863 Brc1ccc(nc1)CNc2cccc3c2cccc3 34a_100000185869_100000702658 [1,0,0,0,0,0|3,0,0]=4 116 B21R3.863 Brc1ccc(nc1)COc2cccc3c2cccc3 34a_100000210388_100000702658 [1,0,0,0,0,0|3,0,0]=4 117 B21R3.863 Brc1ccc(nc1)COc2cccc3c2cccc3 7a_100000210388_100000702658 [1,0,0,0,0,0|3,0,0]=4 118 B21R3.863 Brc1ccc(nc1)CSc2cccc3c2cccc3 62a_100000702658_100000210605 [1,0,0,0,0,0|3,0,0]=4 119 B21R3.863 Brc1ccc(nc1)NCc2cccc3c2cccc3 27a_100000753325_100000686858 [1,0,0,0,0,0|3,0,0]=4 120 B21R3.863 Brc1ccc(nc1)SCc2cccc3c2cccc3 62a_100000686858_100000188474 [1,0,0,0,0,0|3,0,0]=4 121 B21R3.863 Brc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100000686858 [1,0,0,0,0,0|3,0,0]=4 122 B21R3.863 Cc1ccc(nc1)CNc2cccc3c2cccc3 207a_100000185869_100000050478 [1,0,0,0,0,0|3,0,0]=4 123 B21R3.863 Cc1ccc(nc1)CNc2cccc3c2cccc3 34a_100000185869_100000691093 [1,0,0,0,0,0|3,0,0]=4 124 B21R3.863 Cc1ccc(nc1)COc2cccc3c2cccc3 34a_100000210388_100000691093 [1,0,0,0,0,0|3,0,0]=4 125 B21R3.863 Cc1ccc(nc1)COc2cccc3c2cccc3 7a_100000210388_100000691093 [1,0,0,0,0,0|3,0,0]=4 126 B21R3.863 Cc1ccc(nc1)CSc2cccc3c2cccc3 62a_100000691093_100000210605 [1,0,0,0,0,0|3,0,0]=4 127 B21R3.863 Cc1ccc(nc1)OCc2cccc3c2cccc3 34a_100000759353_100011261445 [1,0,0,0,0,0|3,0,0]=4 128 B21R3.863 Cc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011192072_100000188474 [1,0,0,0,0,0|3,0,0]=4 129 B21R3.863 Cc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100000754016 [1,0,0,0,0,0|3,0,0]=4 130 B21R3.863 Cc1ccc(nn1)NCc2cccc3c2cccc3 27a_100000753325_100000744512 [1,0,0,0,0,0|2,0,1]=4 131 B21R3.863 Cc1ccc(nn1)SCc2cccc3c2cccc3 62a_100000744512_100000188474 [1,0,0,0,0,0|2,0,1]=4 132 B21R3.863 Cc1ccc(nn1)SCc2cccc3c2cccc3 62a_100011261445_100000744512 [1,0,0,0,0,0|2,0,1]=4 133 B21R3.863 Clc1ccc(nc1)CNc2cccc3c2cccc3 207a_100000185869_100011361569 [1,0,0,0,0,0|3,0,0]=4 134 B21R3.863 Clc1ccc(nc1)CNc2cccc3c2cccc3 34a_100000185869_100012066911 [1,0,0,0,0,0|3,0,0]=4 135 B21R3.863 Clc1ccc(nc1)COc2cccc3c2cccc3 34a_100000210388_100012066911 [1,0,0,0,0,0|3,0,0]=4 136 B21R3.863 Clc1ccc(nc1)COc2cccc3c2cccc3 7a_100000210388_100012066911 [1,0,0,0,0,0|3,0,0]=4 137 B21R3.863 Clc1ccc(nc1)CSc2cccc3c2cccc3 62a_100012066911_100000210605 [1,0,0,0,0,0|3,0,0]=4 138 B21R3.863 Clc1ccc(nc1)OCc2cccc3c2cccc3 34a_100011215309_100011261445 [1,0,0,0,0,0|3,0,0]=4 139 B21R3.863 Clc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100011356976 [1,0,0,0,0,0|3,0,0]=4 140 B21R3.863 Clc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011356976_100000188474 [1,0,0,0,0,0|3,0,0]=4 141 B21R3.863 Clc1ccc(nn1)CNc2cccc3c2cccc3 34a_100000185869_100016992710 [1,0,0,0,0,0|2,0,1]=4 142 B21R3.863 Clc1ccc(nn1)COc2cccc3c2cccc3 34a_100000210388_100016992710 [1,0,0,0,0,0|2,0,1]=4 143 B21R3.863 Clc1ccc(nn1)COc2cccc3c2cccc3 7a_100000210388_100016992710 [1,0,0,0,0,0|2,0,1]=4 144 B21R3.863 Clc1ccc(nn1)CSc2cccc3c2cccc3 62a_100016992710_100000210605 [1,0,0,0,0,0|2,0,1]=4 145 B21R3.863 Clc1ccc(nn1)SCc2cccc3c2cccc3 62a_100000068654_100000188474 [1,0,0,0,0,0|2,0,1]=4 146 B21R3.863 Clc1ccc(nn1)SCc2cccc3c2cccc3 62a_100011261445_100000068654 [1,0,0,0,0,0|2,0,1]=4 147 B21R3.863 Fc1ccc(nc1)CNc2cccc3c2cccc3 207a_100000185869_100011934744 [1,0,0,0,0,0|3,0,0]=4 148 B21R3.863 Fc1ccc(nc1)CNc2cccc3c2cccc3 34a_100000185869_100000703193 [1,0,0,0,0,0|3,0,0]=4 149 B21R3.863 Fc1ccc(nc1)COc2cccc3c2cccc3 34a_100000210388_100000703193 [1,0,0,0,0,0|3,0,0]=4 150 B21R3.863 Fc1ccc(nc1)COc2cccc3c2cccc3 7a_100000210388_100000703193 [1,0,0,0,0,0|3,0,0]=4 151 B21R3.863 Fc1ccc(nc1)CSc2cccc3c2cccc3 62a_100000703193_100000210605 [1,0,0,0,0,0|3,0,0]=4 152 B21R3.863 Fc1ccc(nc1)OCc2cccc3c2cccc3 34a_100000742473_100011261445 [1,0,0,0,0,0|3,0,0]=4 153 B21R3.863 Fc1ccc(nc1)SCc2cccc3c2cccc3 62a_100000744514_100000188474 [1,0,0,0,0,0|3,0,0]=4 154 B21R3.863 Fc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100000744514 [1,0,0,0,0,0|3,0,0]=4 155 B21R3.863 Nc1ccc(nc1)OCc2cccc3c2cccc3 34a_100000729260_100011261445 [1,0,0,0,0,0|3,0,0]=4 156 B21R3.863 Nc1ccc(nc1)SCc2cccc3c2cccc3 62a_100000737798_100000188474 [1,0,0,0,0,0|3,0,0]=4 157 B21R3.863 Nc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100000737798 [1,0,0,0,0,0|3,0,0]=4 158 B21R3.863 Nc1ccc(nn1)SCc2cccc3c2cccc3 62a_100010219413_100000188474 [1,0,0,0,0,0|2,0,1]=4 159 B21R3.863 Nc1ccc(nn1)SCc2cccc3c2cccc3 62a_100011261445_100010219413 [1,0,0,0,0,0|2,0,1]=4 160 B21R3.863 O=c1ccc(c[nH]1)OCc2cccc3c2cccc3 34a_100000075641_100011261445 [1,0,0,0,0,0|2,0,0]=3 161 B21R3.863 O=c1ccc(c[nH]1)OCc2cccc3c2ccnc3 34a_100000075641_100016989825 [1,0,0,0,0,0|3,0,0]=4 162 B21R3.863 O=c1ccc(c[nH]1)OCc2cccc3c2nccc3 34a_100000075641_100000241032 [1,0,0,0,0,0|3,0,0]=4 163 B21R3.863 O=c1ccc(c[nH]1)OCc2ccnc3c2cccc3 34a_100000075641_100015192512 [1,0,0,0,0,0|3,0,0]=4 164 B21R3.863 O=c1ccc(c[nH]1)OCc2nccc3c2cccc3 34a_100000075641_100000033776 [1,0,0,0,0,0|3,0,0]=4 165 B21R3.863 O=c1ccc(c[nH]1)SCc2cccc3c2cccc3 62a_100000212171_100000188474 [1,0,0,0,0,0|2,0,0]=3 166 B21R3.863 O=c1ccc(c[nH]1)SCc2cccc3c2cccc3 62a_100011261445_100000212171 [1,0,0,0,0,0|2,0,0]=3 167 B21R3.863 O=c1ccc(c[nH]1)SCc2cccc3c2ccnc3 62a_100000212171_100016989825 [1,0,0,0,0,0|3,0,0]=4 168 B21R3.863 O=c1ccc(c[nH]1)SCc2cccc3c2ccnc3 62a_100016989825_100000212171 [1,0,0,0,0,0|3,0,0]=4 169 B21R3.863 O=c1ccc(c[nH]1)SCc2cccc3c2nccc3 62a_100000212171_100000241032 [1,0,0,0,0,0|3,0,0]=4 170 B21R3.863 O=c1ccc(c[nH]1)SCc2ccnc3c2cccc3 62a_100000212171_100015192512 [1,0,0,0,0,0|3,0,0]=4 171 B21R3.863 O=c1ccc(c[nH]1)SCc2ccnc3c2cccc3 62a_100015192512_100000212171 [1,0,0,0,0,0|3,0,0]=4 172 B21R3.863 O=c1ccc(c[nH]1)SCc2nccc3c2cccc3 62a_100000033776_100000212171 [1,0,0,0,0,0|3,0,0]=4 173 B21R3.863 O=c1ccc(c[nH]1)SCc2nccc3c2cccc3 62a_100000212171_100000033776 [1,0,0,0,0,0|3,0,0]=4 174 B21R3.863 O=c1ccc(n[nH]1)CNc2cccc3c2cccc3 207a_100000185869_100011361533 [1,0,0,0,0,0|1,0,0]=2 175 B21R3.863 O=c1ccc(n[nH]1)CNc2cccc3c2cccn3 207a_100000183906_100011361533 [1,0,0,0,0,0|2,0,0]=3 176 B21R3.863 O=c1ccc(n[nH]1)CNc2cccc3c2ccnc3 207a_100000210097_100011361533 [1,0,0,0,0,0|2,0,0]=3 177 B21R3.863 O=c1ccc(n[nH]1)CNc2cccc3c2cncc3 207a_100000065885_100011361533 [1,0,0,0,0,0|2,0,0]=3 178 B21R3.863 O=c1ccc(n[nH]1)CNc2cccc3c2cnnc3 207a_100000087653_100011361533 [1,0,0,0,0,0|3,0,0]=4 179 B21R3.863 O=c1ccc(n[nH]1)CNc2cccc3c2nccc3 207a_100000181377_100011361533 [1,0,0,0,0,0|2,0,0]=3 180 B21R3.863 O=c1ccc(n[nH]1)CNc2cccc3c2nccn3 207a_100011996443_100011361533 [1,0,0,0,0,0|3,0,0]=4 181 B21R3.863 O=c1ccc(n[nH]1)SCc2cccc3c2cccc3 62a_100009820020_100000188474 [1,0,0,0,0,0|1,0,0]=2 182 B21R3.863 O=c1ccc(n[nH]1)SCc2cccc3c2cccc3 62a_100011261445_100009820020 [1,0,0,0,0,0|1,0,0]=2 183 B21R3.863 O=c1ccc(n[nH]1)SCc2cccc3c2ccnc3 62a_100009820020_100016989825 [1,0,0,0,0,0|2,0,0]=3 184 B21R3.863 O=c1ccc(n[nH]1)SCc2cccc3c2ccnc3 62a_100016989825_100009820020 [1,0,0,0,0,0|2,0,0]=3 185 B21R3.863 O=c1ccc(n[nH]1)SCc2cccc3c2nccc3 62a_100009820020_100000241032 [1,0,0,0,0,0|2,0,0]=3 186 B21R3.863 O=c1ccc(n[nH]1)SCc2ccnc3c2cccc3 62a_100009820020_100015192512 [1,0,0,0,0,0|2,0,0]=3 187 B21R3.863 O=c1ccc(n[nH]1)SCc2ccnc3c2cccc3 62a_100015192512_100009820020 [1,0,0,0,0,0|2,0,0]=3 188 B21R3.863 O=c1ccc(n[nH]1)SCc2nccc3c2cccc3 62a_100000033776_100009820020 [1,0,0,0,0,0|2,0,0]=3 189 B21R3.863 O=c1ccc(n[nH]1)SCc2nccc3c2cccc3 62a_100009820020_100000033776 [1,0,0,0,0,0|2,0,0]=3 190 B21R3.863 O=c1ncc(c[nH]1)SCc2cccc3c2cccc3 62a_100011261445_102495366499 [1,0,0,0,0,0|3,0,0]=4 191 B21R3.863 O=c1ncc(c[nH]1)SCc2cccc3c2cccc3 62a_102495366499_100000188474 [1,0,0,0,0,0|3,0,0]=4 192 B21R3.863 Oc1ccc(nc1)SCc2cccc3c2cccc3 62a_100000685995_100000188474 [1,0,0,0,0,0|2,0,1]=4 193 B21R3.863 Oc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100000744096 [1,0,0,0,0,0|2,0,1]=4 194 B21R3.21578 Brc1ccnc(c1)CNc2cccc3c2cccc3 34a_100000185869_100010173614 [1,0,0,0,0,0|3,0,0]=4 195 B21R3.21578 Brc1ccnc(c1)COc2cccc3c2cccc3 34a_100000210388_100010173614 [1,0,0,0,0,0|3,0,0]=4 196 B21R3.21578 Brc1ccnc(c1)COc2cccc3c2cccc3 7a_100000210388_100010173614 [1,0,0,0,0,0|3,0,0]=4 197 B21R3.21578 Brc1ccnc(c1)CSc2cccc3c2cccc3 62a_100010173614_100000210605 [1,0,0,0,0,0|3,0,0]=4 198 B21R3.21578 Cc1ccnc(c1)CNc2cccc3c2cccc3 207a_100000185869_100011361488 [1,0,0,0,0,0|3,0,0]=4 199 B21R3.21578 Cc1ccnc(c1)CNc2cccc3c2cccc3 34a_100000185869_100000718516 [1,0,0,0,0,0|3,0,0]=4 200 B21R3.21578 Cc1ccnc(c1)COc2cccc3c2cccc3 34a_100000210388_100000718516 [1,0,0,0,0,0|3,0,0]=4 201 B21R3.21578 Cc1ccnc(c1)COc2cccc3c2cccc3 7a_100000210388_100000718516 [1,0,0,0,0,0|3,0,0]=4 202 B21R3.21578 Cc1ccnc(c1)CSc2cccc3c2cccc3 62a_100000718516_100000210605 [1,0,0,0,0,0|3,0,0]=4 203 B21R3.21578 Cc1ccnc(c1)SCc2cccc3c2cccc3 62a_100000750283_100000188474 [1,0,0,0,0,0|3,0,0]=4 204 B21R3.21578 Cc1ccnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100000750283 [1,0,0,0,0,0|3,0,0]=4 205 B21R3.21578 Cc1cnnc(c1)NCc2cccc3c2cccc3 27a_100000753325_100000070100 [1,0,0,0,0,0|2,0,1]=4 206 B21R3.21578 Cc1cnnc(c1)OCc2cccc3c2cccc3 34a_100000766097_100011261445 [1,0,0,0,0,0|2,0,1]=4 207 B21R3.21578 Cc1cnnc(c1)SCc2cccc3c2cccc3 62a_100000070100_100000188474 [1,0,0,0,0,0|2,0,1]=4 208 B21R3.21578 Cc1cnnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100000070100 [1,0,0,0,0,0|2,0,1]=4 209 B21R3.21578 Clc1ccnc(c1)CNc2cccc3c2cccc3 34a_100000185869_100016988179 [1,0,0,0,0,0|3,0,0]=4 210 B21R3.21578 Clc1ccnc(c1)COc2cccc3c2cccc3 34a_100000210388_100016988179 [1,0,0,0,0,0|3,0,0]=4 211 B21R3.21578 Clc1ccnc(c1)COc2cccc3c2cccc3 7a_100000210388_100016988179 [1,0,0,0,0,0|3,0,0]=4 212 B21R3.21578 Clc1ccnc(c1)CSc2cccc3c2cccc3 62a_100016988179_100000210605 [1,0,0,0,0,0|3,0,0]=4 213 B21R3.21578 Clc1ccnc(c1)SCc2cccc3c2cccc3 62a_100010167805_100000188474 [1,0,0,0,0,0|3,0,0]=4 214 B21R3.21578 Clc1ccnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100010167805 [1,0,0,0,0,0|3,0,0]=4 215 B21R3.21578 Fc1ccnc(c1)NCc2cccc3c2cccc3 27a_100000753325_100000764206 [1,0,0,0,0,0|3,0,0]=4 216 B21R3.21578 Fc1ccnc(c1)SCc2cccc3c2cccc3 62a_100000764206_100000188474 [1,0,0,0,0,0|3,0,0]=4 217 B21R3.21578 Fc1ccnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100000764206 [1,0,0,0,0,0|3,0,0]=4 218 B21R3.21578 Nc1ccnc(c1)SCc2cccc3c2cccc3 62a_100009814236_100000188474 [1,0,0,0,0,0|3,0,0]=4 219 B21R3.21578 Nc1ccnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100009814236 [1,0,0,0,0,0|3,0,0]=4 220 B21R3.21578 Nc1cnnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100011996757 [1,0,0,0,0,0|2,0,1]=4 221 B21R3.21578 Nc1cnnc(c1)SCc2cccc3c2cccc3 62a_100011996757_100000188474 [1,0,0,0,0,0|2,0,1]=4 222 B21R3.21578 Oc1cc(ncn1)NCc2cccc3c2cccc3 27a_100000753325_100000765262 [1,0,0,0,0,0|3,0,0]=4 223 B21R3.21578 Oc1cc(ncn1)SCc2cccc3c2cccc3 62a_100011261445_100000765262 [1,0,0,0,0,0|3,0,0]=4 224 B21R3.21578 Oc1cccc(c1)CNc2cccc3c2cccc3 207a_100000185869_100000188321 [1,0,0,0,0,0|3,0,0]=4 225 B21R3.21578 Oc1cccc(c1)CNc2cccc3c2cccc3 34a_100000185869_100011660834 [1,0,0,0,0,0|3,0,0]=4 226 B21R3.21578 Oc1cccc(c1)COc2cccc3c2cccc3 34a_100000210388_100011660834 [1,0,0,0,0,0|3,0,0]=4 227 B21R3.21578 Oc1cccc(c1)COc2cccc3c2cccc3 7a_100000210388_100000084143 [1,0,0,0,0,0|3,0,0]=4 228 B21R3.21578 Oc1cccc(c1)CSc2cccc3c2cccc3 62a_100011660834_100000210605 [1,0,0,0,0,0|3,0,0]=4 229 B21R3.21578 Oc1cccc(c1)NCc2cccc3c2cccc3 270302a_100000210217_100000210074 [1,0,0,0,0,0|3,0,0]=4 230 B21R3.21578 Oc1cccc(c1)NCc2cccc3c2cccc3 34a_100000210217_100011261445 [1,0,0,0,0,0|3,0,0]=4 231 B21R3.21578 Oc1cccc(c1)SCc2cccc3c2cccc3 62a_100011261445_100000211634 [1,0,0,0,0,0|3,0,0]=4 232 B21R3.21578 Oc1ccnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100000762945 [1,0,0,0,0,0|2,0,0]=3 233 B21R3.21578 Oc1ccnc(c1)SCc2cccc3c2ccnc3 62a_100016989825_100000762945 [1,0,0,0,0,0|3,0,0]=4 234 B21R3.21578 Oc1ccnc(c1)SCc2ccnc3c2cccc3 62a_100015192512_100000762945 [1,0,0,0,0,0|3,0,0]=4 235 B21R3.21578 Oc1ccnc(c1)SCc2nccc3c2cccc3 62a_100000033776_100000762945 [1,0,0,0,0,0|3,0,0]=4 236 B21R3.21578 Oc1ccnc(n1)NCc2cccc3c2cccc3 27a_100000753325_100011649813 [1,0,0,0,0,0|3,0,0]=4 237 B21R3.21578 Oc1ccnc(n1)SCc2cccc3c2cccc3 62a_100011261445_100011649813 [1,0,0,0,0,0|3,0,0]=4 238 B21R3.21578 Oc1cncc(c1)CNc2cccc3c2cccc3 207a_100000185869_100012187055 [1,0,0,0,0,0|2,0,1]=4 239 B21R3.21578 Oc1cncc(c1)SCc2cccc3c2cccc3 62a_100000754920_100000188474 [1,0,0,0,0,0|2,0,1]=4 240 B21R3.21578 Oc1cncc(c1)SCc2cccc3c2cccc3 62a_100011261445_100000754920 [1,0,0,0,0,0|2,0,1]=4 241 B21R3.21578 Oc1cnnc(c1)SCc2cccc3c2cccc3 62a_100011261445_200010734679 [1,0,0,0,0,0|1,0,1]=3 242 B21R3.21578 Oc1cnnc(c1)SCc2cccc3c2ccnc3 62a_100016989825_200010734679 [1,0,0,0,0,0|2,0,1]=4 243 B21R3.21578 Oc1cnnc(c1)SCc2ccnc3c2cccc3 62a_100015192512_200010734679 [1,0,0,0,0,0|2,0,1]=4 244 B21R3.21578 Oc1cnnc(c1)SCc2nccc3c2cccc3 62a_100000033776_200010734679 [1,0,0,0,0,0|2,0,1]=4 245 B23R3.4816 COc1cnc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100010264082 [0,1,0,0,0,0|2,0,1]=4 246 B23R3.4816 Cc1cc(ncc1C=O)SCc2cccc3c2cccc3 62a_100000085382_100000188474 [0,1,0,0,0,0|3,0,0]=4 247 B23R3.4816 Cc1cc(ncc1C=O)SCc2cccc3c2cccc3 62a_100011261445_100000085382 [0,1,0,0,0,0|3,0,0]=4 248 B23R3.4816 Nc1cc(ncc1C=O)SCc2cccc3c2cccc3 62a_100000050503_100000188474 [0,1,0,0,0,0|3,0,0]=4 249 B23R3.4816 Nc1cc(ncc1C=O)SCc2cccc3c2cccc3 62a_100011261445_100000050503 [0,1,0,0,0,0|3,0,0]=4 250 B23R3.4816 O=Cc1ccc(cc1O)SCc2cccc3c2cccc3 62a_100011261445_100011277552 [0,1,0,0,0,0|3,0,0]=4 251 B23R3.4816 O=Cc1ccc(cc1O)SCc2cccc3c2cccc3 62a_100011277552_100000188474 [0,1,0,0,0,0|3,0,0]=4 252 B23R3.5589 COc1cc(c[nH]c1=O)SCc2cccc3c2cccc3 62a_100011261445_100010125397 [0,1,0,0,0,0|2,0,0]=3 253 B23R3.5589 COc1cc(c[nH]c1=O)SCc2cccc3c2ccnc3 62a_100016989825_100010125397 [0,1,0,0,0,0|3,0,0]=4 254 B23R3.5589 COc1cc(c[nH]c1=O)SCc2ccnc3c2cccc3 62a_100015192512_100010125397 [0,1,0,0,0,0|3,0,0]=4 255 B23R3.5589 COc1cc(c[nH]c1=O)SCc2nccc3c2cccc3 62a_100000033776_100010125397 [0,1,0,0,0,0|3,0,0]=4 256 B23R3.5589 COc1cc(ncc1C)SCc2cccc3c2cccc3 62a_100010067687_100000188474 [0,1,0,0,0,0|3,0,0]=4 257 B23R3.5589 COc1cc(ncc1C)SCc2cccc3c2cccc3 62a_100011261445_100010067687 [0,1,0,0,0,0|3,0,0]=4 258 B23R3.5589 COc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100011261445_200010136270 [0,1,0,0,0,0|3,0,0]=4 259 B23R3.5589 COc1cc(ncc1F)SCc2cccc3c2cccc3 62a_200010136270_100000188474 [0,1,0,0,0,0|3,0,0]=4 260 B23R3.5589 COc1cc(ncc1N)SCc2cccc3c2cccc3 62a_100009887741_100000188474 [0,1,0,0,0,0|3,0,0]=4 261 B23R3.5589 COc1cc(ncc1N)SCc2cccc3c2cccc3 62a_100011261445_100009887741 [0,1,0,0,0,0|3,0,0]=4 262 B23R3.5589 COc1cc(nnc1N)SCc2cccc3c2cccc3 62a_100000688033_100000188474 [0,1,0,0,0,0|2,0,1]=4 263 B23R3.5589 COc1cc(nnc1N)SCc2cccc3c2cccc3 62a_100011261445_100000688033 [0,1,0,0,0,0|2,0,1]=4 264 B23R3.5589 OCc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100000081974_100000188474 [0,1,0,0,0,0|3,0,0]=4 265 B23R3.5589 OCc1cc(ncc1F)SCc2cccc3c2cccc3 62a_100011261445_100000081974 [0,1,0,0,0,0|3,0,0]=4 266 B23R3.152399 Cc1c(c[nH]c(=O)c1N)SCc2cccc3c2cccc3 62a_100010163742_100000188474 [0,1,0,0,0,0|3,0,0]=4 267 B23R3.152399 Cc1c(c[nH]c(=O)c1N)SCc2cccc3c2cccc3 62a_100011261445_100010163742 [0,1,0,0,0,0|3,0,0]=4 268 B23R3.165125 O=c1[nH]cc(cc1Cl)CNc2cccc3c2ccc(c3)Br 207a_100010090037_100000051075 [0,1,0,0,0,0|3,0,0]=4 269 B23R3.165125 O=c1[nH]cc(cc1Cl)CNc2cccc3c2ccc(c3)Br 270302a_100010090037_100000051075 [0,1,0,0,0,0|3,0,0]=4 270 B23R3.290397 Cc1cc(cn(c1=O)C)SCc2cccc3c2cccc3 62a_100011261445_100011830242 [0,1,0,0,0,0|3,0,0]=4 271 B23R3.290397 Cc1cc(cn(c1=O)C)SCc2cccc3c2cccc3 62a_100011830242_100000188474 [0,1,0,0,0,0|3,0,0]=4 272 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2cccc3c2cccc3 62a_100010988966_100000188474 [0,1,0,0,0,0|2,0,0]=3 273 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2cccc3c2cccc3 62a_100011261445_100010988966 [0,1,0,0,0,0|2,0,0]=3 274 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2cccc3c2ccnc3 62a_100010988966_100016989825 [0,1,0,0,0,0|3,0,0]=4 275 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2cccc3c2ccnc3 62a_100016989825_100010988966 [0,1,0,0,0,0|3,0,0]=4 276 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2cccc3c2nccc3 62a_100010988966_100000241032 [0,1,0,0,0,0|3,0,0]=4 277 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2ccnc3c2cccc3 62a_100010988966_100015192512 [0,1,0,0,0,0|3,0,0]=4 278 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2ccnc3c2cccc3 62a_100015192512_100010988966 [0,1,0,0,0,0|3,0,0]=4 279 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2nccc3c2cccc3 62a_100000033776_100010988966 [0,1,0,0,0,0|3,0,0]=4 280 B23R3.290397 Cc1cc(nn(c1=O)C)SCc2nccc3c2cccc3 62a_100010988966_100000033776 [0,1,0,0,0,0|3,0,0]=4 281 B23R3.290397 Cn1cc(cc(c1=O)F)SCc2cccc3c2cccc3 62a_100010749421_100000188474 [0,1,0,0,0,0|3,0,0]=4 282 B23R3.290397 Cn1cc(cc(c1=O)F)SCc2cccc3c2cccc3 62a_100011261445_100010749421 [0,1,0,0,0,0|3,0,0]=4 283 B23R3.290397 Cn1cc(cc(c1=O)N)SCc2cccc3c2cccc3 62a_100011261445_106446545582 [0,1,0,0,0,0|3,0,0]=4 284 B23R3.290397 Cn1cc(cc(c1=O)N)SCc2cccc3c2cccc3 62a_106446545582_100000188474 [0,1,0,0,0,0|3,0,0]=4 285 B23R3.820624 Cc1[nH]c(=O)c(cc1SCc2cccc3c2cccc3)N 62a_100010126670_100000188474 [0,1,0,0,0,0|3,0,0]=4 286 B23R3.820624 Cc1[nH]c(=O)c(cc1SCc2cccc3c2cccc3)N 62a_100011261445_100010126670 [0,1,0,0,0,0|3,0,0]=4 287 B23R3.1310504 Cc1cc(c2ccccc2n1)CSc3c[nH]c(=O)c(c3)O 62a_100000755639_100009814561 [0,1,0,0,0,0|3,0,0]=4 288 B23R3.1310504 Cc1cc(c2ccccc2n1)CSc3cc(c(=O)[nH]n3)C 62a_100000755639_100012187101 [0,1,0,0,0,0|3,0,0]=4 289 B23R3.1310504 Cc1cc(c2ccccc2n1)CSc3cc(c(=O)[nH]n3)N 62a_100000755639_100000102183 [0,1,0,0,0,0|3,0,0]=4 290 B23R3.1310504 Cc1cc(n[nH]c1=O)SCc2cc(nc3c2cccc3)Cl 62a_200010137201_100012187101 [0,1,0,0,0,0|3,0,0]=4 291 B23R3.1310504 Nc1cc(n[nH]c1=O)SCc2cc(nc3c2cccc3)Cl 62a_200010137201_100000102183 [0,1,0,0,0,0|3,0,0]=4 292 B23R3.1310504 O=c1[nH]cc(cc1Cl)CNc2cc(cc3c2cccc3)Br 207a_100010171453_100000051075 [0,1,0,0,0,0|3,0,0]=4 293 B23R3.1310504 O=c1[nH]cc(cc1Cl)CNc2cc(cc3c2cccc3)Br 270302a_100010171453_100000051075 [0,1,0,0,0,0|3,0,0]=4 294 B23R3.1310504 O=c1[nH]cc(cc1O)SCc2cc(nc3c2cccc3)Cl 62a_200010137201_100009814561 [0,1,0,0,0,0|3,0,0]=4 295 B23R3.1310812 Cc1ccc2ccccc2c1CSc3c[nH]c(=O)c(c3)Br 62a_100000689653_100010125443 [0,1,0,0,0,0|3,0,0]=4 296 B23R3.1310812 Cc1ccc2ccccc2c1CSc3c[nH]c(=O)c(c3)Br 62a_100010125443_100000689653 [0,1,0,0,0,0|3,0,0]=4 297 B23R3.1310812 Cc1ccc2ccccc2c1CSc3c[nH]c(=O)c(c3)F 62a_100000689653_100000723523 [0,1,0,0,0,0|3,0,0]=4 298 B23R3.1310812 Cc1ccc2ccccc2c1CSc3c[nH]c(=O)c(c3)F 62a_100000723523_100000689653 [0,1,0,0,0,0|3,0,0]=4 299 B23R3.1310812 Cc1ccc2ccccc2c1CSc3c[nH]c(=O)c(c3)O 62a_100000689653_100009814561 [0,1,0,0,0,0|2,0,0]=3 300 B23R3.1310812 Cc1ccc2ccccc2c1CSc3cc(c(=O)[nH]n3)C 62a_100000689653_100012187101 [0,1,0,0,0,0|2,0,0]=3 301 B23R3.1310812 Cc1ccc2ccccc2c1CSc3cc(c(=O)[nH]n3)N 62a_100000689653_100000102183 [0,1,0,0,0,0|2,0,0]=3 302 B23R3.1310812 Cc1ccc2ccccc2c1CSc3cc(c(cn3)F)O 62a_100000689653_100009854642 [0,1,0,0,0,0|3,0,0]=4 303 B23R3.1310812 Cc1ccc2ccccc2c1CSc3cc(c(cn3)F)O 62a_100009854642_100000689653 [0,1,0,0,0,0|3,0,0]=4 304 B23R3.1310812 Cc1ccc2ccccc2c1NCc3c[nH]c(=O)c(c3)Cl 207a_100000688109_100000051075 [0,1,0,0,0,0|3,0,0]=4 305 B23R3.1310812 Cc1cnc(cc1O)SCc2c(ccc3c2cccc3)C 62a_100000689653_100000704368 [0,1,0,0,0,0|3,0,0]=4 306 B23R3.1310812 Cc1cnc(cc1O)SCc2c(ccc3c2cccc3)C 62a_100000704368_100000689653 [0,1,0,0,0,0|3,0,0]=4 307 B23R3.8053458 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cc(cc3)Br 207a_100010090012_100000051075 [0,1,0,0,0,0|3,0,0]=4 308 B23R3.8053458 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cc(cc3)Br 270302a_100010090012_100000051075 [0,1,0,0,0,0|3,0,0]=4 309 B23R3.16114850 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cccc3Br 207a_100009816864_100000051075 [0,1,0,0,0,0|3,0,0]=4 310 B23R3.16114850 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cccc3Br 270302a_100009816864_100000051075 [0,1,0,0,0,0|3,0,0]=4 311 B23R3.16114850 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cccc3Cl 207a_100000077128_100000051075 [0,1,0,0,0,0|3,0,0]=4 312 B23R3.16114850 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cccc3Cl 270302a_100000077128_100000051075 [0,1,0,0,0,0|3,0,0]=4 313 B23R3.16114850 O=c1[nH]cc(cc1Cl)CNc2cccc3c2cccc3O 207a_100000210686_100000051075 [0,1,0,0,0,0|3,0,0]=4 314 B23R3.24525962 Cc1cc(n[nH]c1=O)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100012187101 [0,1,0,0,0,0|2,0,0]=3 315 B23R3.24525962 Cc1cc(n[nH]c1=O)SCc2ccc(c3c2cccc3)C 62a_100012073487_100012187101 [0,1,0,0,0,0|2,0,0]=3 316 B23R3.24525962 Cc1cc(n[nH]c1=O)SCc2ccc(c3c2cccc3)F 62a_100011988723_100012187101 [0,1,0,0,0,0|2,0,0]=3 317 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3c[nH]c(=O)c(c3)Br 62a_100010125443_100012073487 [0,1,0,0,0,0|3,0,0]=4 318 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3c[nH]c(=O)c(c3)Br 62a_100012073487_100010125443 [0,1,0,0,0,0|3,0,0]=4 319 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3c[nH]c(=O)c(c3)F 62a_100000723523_100012073487 [0,1,0,0,0,0|3,0,0]=4 320 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3c[nH]c(=O)c(c3)F 62a_100012073487_100000723523 [0,1,0,0,0,0|3,0,0]=4 321 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3c[nH]c(=O)c(c3)O 62a_100012073487_100009814561 [0,1,0,0,0,0|2,0,0]=3 322 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3cc(c(=O)[nH]n3)N 62a_100012073487_100000102183 [0,1,0,0,0,0|2,0,0]=3 323 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3cc(c(cn3)F)O 62a_100009854642_100012073487 [0,1,0,0,0,0|3,0,0]=4 324 B23R3.24525962 Cc1ccc(c2c1cccc2)CSc3cc(c(cn3)F)O 62a_100012073487_100009854642 [0,1,0,0,0,0|3,0,0]=4 325 B23R3.24525962 Cc1cnc(cc1O)SCc2ccc(c3c2cccc3)Br 62a_100000704368_100012352185 [0,1,0,0,0,0|3,0,0]=4 326 B23R3.24525962 Cc1cnc(cc1O)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100000704368 [0,1,0,0,0,0|3,0,0]=4 327 B23R3.24525962 Cc1cnc(cc1O)SCc2ccc(c3c2cccc3)C 62a_100000704368_100012073487 [0,1,0,0,0,0|3,0,0]=4 328 B23R3.24525962 Cc1cnc(cc1O)SCc2ccc(c3c2cccc3)C 62a_100012073487_100000704368 [0,1,0,0,0,0|3,0,0]=4 329 B23R3.24525962 Cc1cnc(cc1O)SCc2ccc(c3c2cccc3)F 62a_100000704368_100011988723 [0,1,0,0,0,0|3,0,0]=4 330 B23R3.24525962 Cc1cnc(cc1O)SCc2ccc(c3c2cccc3)F 62a_100011988723_100000704368 [0,1,0,0,0,0|3,0,0]=4 331 B23R3.24525962 Nc1cc(n[nH]c1=O)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100000102183 [0,1,0,0,0,0|2,0,0]=3 332 B23R3.24525962 Nc1cc(n[nH]c1=O)SCc2ccc(c3c2cccc3)F 62a_100011988723_100000102183 [0,1,0,0,0,0|2,0,0]=3 333 B23R3.24525962 O=c1[nH]cc(cc1Br)SCc2ccc(c3c2cccc3)Br 62a_100010125443_100012352185 [0,1,0,0,0,0|3,0,0]=4 334 B23R3.24525962 O=c1[nH]cc(cc1Br)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100010125443 [0,1,0,0,0,0|3,0,0]=4 335 B23R3.24525962 O=c1[nH]cc(cc1Br)SCc2ccc(c3c2cccc3)F 62a_100010125443_100011988723 [0,1,0,0,0,0|3,0,0]=4 336 B23R3.24525962 O=c1[nH]cc(cc1Br)SCc2ccc(c3c2cccc3)F 62a_100011988723_100010125443 [0,1,0,0,0,0|3,0,0]=4 337 B23R3.24525962 O=c1[nH]cc(cc1Cl)CNc2ccc(c3c2cccc3)Br 207a_100000766797_100000051075 [0,1,0,0,0,0|3,0,0]=4 338 B23R3.24525962 O=c1[nH]cc(cc1Cl)CNc2ccc(c3c2cccc3)Br 270302a_100000766797_100000051075 [0,1,0,0,0,0|3,0,0]=4 339 B23R3.24525962 O=c1[nH]cc(cc1Cl)CNc2ccc(c3c2cccc3)Cl 207a_100011216319_100000051075 [0,1,0,0,0,0|3,0,0]=4 340 B23R3.24525962 O=c1[nH]cc(cc1Cl)CNc2ccc(c3c2cccc3)Cl 270302a_100011216319_100000051075 [0,1,0,0,0,0|3,0,0]=4 341 B23R3.24525962 O=c1[nH]cc(cc1Cl)CNc2ccc(c3c2cccc3)F 207a_100011988692_100000051075 [0,1,0,0,0,0|3,0,0]=4 342 B23R3.24525962 O=c1[nH]cc(cc1Cl)CNc2ccc(c3c2cccc3)F 270302a_100011988692_100000051075 [0,1,0,0,0,0|3,0,0]=4 343 B23R3.24525962 O=c1[nH]cc(cc1F)SCc2ccc(c3c2cccc3)Br 62a_100000723523_100012352185 [0,1,0,0,0,0|3,0,0]=4 344 B23R3.24525962 O=c1[nH]cc(cc1F)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100000723523 [0,1,0,0,0,0|3,0,0]=4 345 B23R3.24525962 O=c1[nH]cc(cc1F)SCc2ccc(c3c2cccc3)F 62a_100000723523_100011988723 [0,1,0,0,0,0|3,0,0]=4 346 B23R3.24525962 O=c1[nH]cc(cc1F)SCc2ccc(c3c2cccc3)F 62a_100011988723_100000723523 [0,1,0,0,0,0|3,0,0]=4 347 B23R3.24525962 O=c1[nH]cc(cc1O)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100009814561 [0,1,0,0,0,0|2,0,0]=3 348 B23R3.24525962 O=c1[nH]cc(cc1O)SCc2ccc(c3c2cccc3)F 62a_100011988723_100009814561 [0,1,0,0,0,0|2,0,0]=3 349 B23R3.24525962 Oc1cc(ncc1F)SCc2ccc(c3c2cccc3)Br 62a_100009854642_100012352185 [0,1,0,0,0,0|3,0,0]=4 350 B23R3.24525962 Oc1cc(ncc1F)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100009854642 [0,1,0,0,0,0|3,0,0]=4 351 B23R3.24525962 Oc1cc(ncc1F)SCc2ccc(c3c2cccc3)F 62a_100009854642_100011988723 [0,1,0,0,0,0|3,0,0]=4 352 B23R3.24525962 Oc1cc(ncc1F)SCc2ccc(c3c2cccc3)F 62a_100011988723_100009854642 [0,1,0,0,0,0|3,0,0]=4 353 B23R3.130097790 Cc1cccc2c1c(ccc2)NCc3c[nH]c(=O)c(c3)Cl 207a_100009841044_100000051075 [0,1,0,0,0,0|3,0,0]=4 354 B23R3.130097790 Cc1cccc2c1c(ccc2)NCc3c[nH]c(=O)c(c3)Cl 270302a_100009841044_100000051075 [0,1,0,0,0,0|3,0,0]=4 355 B23R3.130097790 O=c1[nH]cc(cc1Cl)CNc2cccc3c2c(ccc3)Br 207a_100010002837_100000051075 [0,1,0,0,0,0|3,0,0]=4 356 B23R3.130097790 O=c1[nH]cc(cc1Cl)CNc2cccc3c2c(ccc3)Br 270302a_100010002837_100000051075 [0,1,0,0,0,0|3,0,0]=4 357 B23R3.130097790 O=c1[nH]cc(cc1Cl)CNc2cccc3c2c(ccc3)Cl 207a_100009857565_100000051075 [0,1,0,0,0,0|3,0,0]=4 358 B23R3.130097790 O=c1[nH]cc(cc1Cl)CNc2cccc3c2c(ccc3)Cl 270302a_100009857565_100000051075 [0,1,0,0,0,0|3,0,0]=4 359 B23R3.130097790 O=c1[nH]cc(cc1Cl)CNc2cccc3c2c(ccc3)F 207a_100009878580_100000051075 [0,1,0,0,0,0|3,0,0]=4 360 B23R3.130097790 O=c1[nH]cc(cc1Cl)CNc2cccc3c2c(ccc3)F 270302a_100009878580_100000051075 [0,1,0,0,0,0|3,0,0]=4 361 B21R2.7548695 NC(=O)C(=O)NN=CCCc1cncc2c1cccc2 4a_100000211141_200012088193 [0,0,1,0,0,0|2,0,1]=4 362 B21R2.25117337 C=CC(=O)NCC(=O)CCc1cccc2c1cccc2 1458a_200011222540_100011290781 [0,0,1,0,0,0|3,0,0]=4 363 B21R3.835 Cc1cc(n[nH]c1=O)Sc2cccc3c2cccn3 62a_100011290932_100012187101 [0,0,0,0,1,0|3,0,0]=4 364 B21R3.835 Cc1cc(n[nH]c1=O)Sc2cccc3c2ccnc3 62a_100000186358_100012187101 [0,0,0,0,1,0|3,0,0]=4 365 B21R3.835 Cc1cc(n[nH]c1=O)Sc2cccc3c2cncc3 62a_100000685578_100012187101 [0,0,0,0,1,0|3,0,0]=4 366 B21R3.835 Cc1cc(n[nH]c1=O)Sc2ccnc3c2cccc3 62a_100011458314_100012187101 [0,0,0,0,1,0|3,0,0]=4 367 B21R3.835 Cc1cc(n[nH]c1=O)Sc2cncc3c2cccc3 62a_100000187577_100012187101 [0,0,0,0,1,0|3,0,0]=4 368 B21R3.835 Cc1cc(n[nH]c1=O)Sc2nccc3c2cccc3 62a_100011934041_100012187101 [0,0,0,0,1,0|3,0,0]=4 369 B21R3.835 Cc1cnc(cc1O)Sc2cccc3c2cccc3 62a_100000704368_100000210605 [0,0,0,0,1,0|3,0,0]=4 370 B21R3.835 Nc1cc(n[nH]c1=O)Sc2cccc3c2cccn3 62a_100011290932_100000102183 [0,0,0,0,1,0|3,0,0]=4 371 B21R3.835 Nc1cc(n[nH]c1=O)Sc2cccc3c2ccnc3 62a_100000186358_100000102183 [0,0,0,0,1,0|3,0,0]=4 372 B21R3.835 Nc1cc(n[nH]c1=O)Sc2cccc3c2cncc3 62a_100000685578_100000102183 [0,0,0,0,1,0|3,0,0]=4 373 B21R3.835 Nc1cc(n[nH]c1=O)Sc2ccnc3c2cccc3 62a_100011458314_100000102183 [0,0,0,0,1,0|3,0,0]=4 374 B21R3.835 Nc1cc(n[nH]c1=O)Sc2cncc3c2cccc3 62a_100000187577_100000102183 [0,0,0,0,1,0|3,0,0]=4 375 B21R3.835 Nc1cc(n[nH]c1=O)Sc2nccc3c2cccc3 62a_100011934041_100000102183 [0,0,0,0,1,0|3,0,0]=4 376 B21R3.835 O=c1[nH]cc(cc1Br)Sc2cccc3c2cccc3 62a_100010125443_100000210605 [0,0,0,0,1,0|3,0,0]=4 377 B21R3.835 O=c1[nH]cc(cc1F)Sc2cccc3c2cccc3 62a_100000723523_100000210605 [0,0,0,0,1,0|3,0,0]=4 378 B21R3.835 O=c1[nH]cc(cc1O)Sc2cccc3c2cccn3 62a_100011290932_100009814561 [0,0,0,0,1,0|3,0,0]=4 379 B21R3.835 O=c1[nH]cc(cc1O)Sc2cccc3c2ccnc3 62a_100000186358_100009814561 [0,0,0,0,1,0|3,0,0]=4 380 B21R3.835 O=c1[nH]cc(cc1O)Sc2cccc3c2cncc3 62a_100000685578_100009814561 [0,0,0,0,1,0|3,0,0]=4 381 B21R3.835 O=c1[nH]cc(cc1O)Sc2ccnc3c2cccc3 62a_100011458314_100009814561 [0,0,0,0,1,0|3,0,0]=4 382 B21R3.835 O=c1[nH]cc(cc1O)Sc2cncc3c2cccc3 62a_100000187577_100009814561 [0,0,0,0,1,0|3,0,0]=4 383 B21R3.835 O=c1[nH]cc(cc1O)Sc2nccc3c2cccc3 62a_100011934041_100009814561 [0,0,0,0,1,0|3,0,0]=4 384 B21R3.835 Oc1cc(ncc1F)Sc2cccc3c2cccc3 62a_100009854642_100000210605 [0,0,0,0,1,0|3,0,0]=4 385 B21R3.29689 Cc1cc(n[nH]c1=O)SCc2csc3c2cccc3 62a_200000742921_100012187101 [0,0,0,0,1,0|3,0,0]=4 386 B21R3.29689 Nc1cc(n[nH]c1=O)SCc2csc3c2cccc3 62a_200000742921_100000102183 [0,0,0,0,1,0|3,0,0]=4 387 B21R3.29689 O=c1[nH]cc(cc1O)SCc2csc3c2cccc3 62a_200000742921_100009814561 [0,0,0,0,1,0|3,0,0]=4 388 B21R3.43482 Cc1[nH]nc(c1C)SCc2cccc3c2cccc3 62a_100011261445_100015309786 [0,0,0,0,1,0|3,0,0]=4 389 B21R3.43482 Cc1[nH]nc(c1C)SCc2cccc3c2cccc3 62a_100015309786_100000188474 [0,0,0,0,1,0|3,0,0]=4 390 B21R3.43482 Cn1c(n[nH]c1=O)COc2cccc3c2cccc3 7a_100000210388_100010408635 [0,0,0,0,1,0|3,0,0]=4 391 B21R3.43482 Cn1c(n[nH]c1=O)CSc2cccc3c2cccc3 62a_100010408635_100000210605 [0,0,0,0,1,0|3,0,0]=4 392 B23R3.65601 Cc1cc(n[nH]c1=O)SCCc2cccc3c2cccc3 62a_100011290781_100012187101 [0,0,0,0,0,1|1,0,0]=2 393 B23R3.65601 Cc1cc(ncc1Br)CNCc2cccc3c2cccc3 207a_100000753325_100009814806 [0,0,0,0,0,1|3,0,0]=4 394 B23R3.65601 Cc1cc(ncc1Br)CNCc2cccc3c2cccc3 270004a_100000753325_100009814806 [0,0,0,0,0,1|3,0,0]=4 395 B23R3.65601 Cc1cc(ncc1Br)COCc2cccc3c2cccc3 34a_200010713146_100011261445 [0,0,0,0,0,1|3,0,0]=4 396 B23R3.65601 Cc1cc(ncc1Br)OCCc2cccc3c2cccc3 34a_100000766222_100011290781 [0,0,0,0,0,1|3,0,0]=4 397 B23R3.65601 Cc1cc(ncc1Br)SCCc2cccc3c2cccc3 62a_100011290781_100012356354 [0,0,0,0,0,1|3,0,0]=4 398 B23R3.65601 Cc1cc(ncc1Br)SCCc2cccc3c2cccc3 62a_100012356354_100011290781 [0,0,0,0,0,1|3,0,0]=4 399 B23R3.65601 Cc1cc(ncc1Cl)OCCc2cccc3c2cccc3 34a_200000085746_100011290781 [0,0,0,0,0,1|3,0,0]=4 400 B23R3.65601 Cc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100009818257_100011290781 [0,0,0,0,0,1|3,0,0]=4 401 B23R3.65601 Cc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100011290781_100009818257 [0,0,0,0,0,1|3,0,0]=4 402 B23R3.65601 Cc1cc(ncc1N)SCCc2cccc3c2cccc3 62a_100000067204_100011290781 [0,0,0,0,0,1|3,0,0]=4 403 B23R3.65601 Cc1cc(ncc1N)SCCc2cccc3c2cccc3 62a_100011290781_100000067204 [0,0,0,0,0,1|3,0,0]=4 404 B23R3.65601 Cc1cc(ncc1O)SCCc2cccc3c2cccc3 62a_100011290781_100000692680 [0,0,0,0,0,1|2,0,1]=4 405 B23R3.65601 Cc1cc(nnc1N)SCCc2cccc3c2cccc3 62a_100011290781_100153394926 [0,0,0,0,0,1|2,0,1]=4 406 B23R3.65601 Cc1cc(nnc1N)SCCc2cccc3c2cccc3 62a_100153394926_100011290781 [0,0,0,0,0,1|2,0,1]=4 407 B23R3.65601 Cc1ccc(cc1O)NCCc2cccc3c2cccc3 34a_100000759471_100011290781 [0,0,0,0,0,1|3,0,0]=4 408 B23R3.65601 Cc1ccc(cc1O)NCCc2cccc3c2cccc3 7a_100000759471_100011290781 [0,0,0,0,0,1|3,0,0]=4 409 B23R3.65601 Cc1ccc(cc1O)SCCc2cccc3c2cccc3 62a_100000685420_100011290781 [0,0,0,0,0,1|3,0,0]=4 410 B23R3.65601 Cc1ccc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100000685420 [0,0,0,0,0,1|3,0,0]=4 411 B23R3.65601 Cc1cnc(cc1Br)CNCc2cccc3c2cccc3 207a_100000753325_100010174032 [0,0,0,0,0,1|3,0,0]=4 412 B23R3.65601 Cc1cnc(cc1Br)CNCc2cccc3c2cccc3 270004a_100000753325_100010174032 [0,0,0,0,0,1|3,0,0]=4 413 B23R3.65601 Cc1cnc(cc1Br)COCc2cccc3c2cccc3 34a_100010113723_100011261445 [0,0,0,0,0,1|3,0,0]=4 414 B23R3.65601 Cc1cnc(cc1Br)COCc2cccc3c2cccc3 7a_100010113723_100011261445 [0,0,0,0,0,1|3,0,0]=4 415 B23R3.65601 Cc1cnc(cc1Br)OCCc2cccc3c2cccc3 34a_100009831917_100011290781 [0,0,0,0,0,1|3,0,0]=4 416 B23R3.65601 Cc1cnc(cc1C)SCCc2cccc3c2cccc3 62a_100009850809_100011290781 [0,0,0,0,0,1|3,0,0]=4 417 B23R3.65601 Cc1cnc(cc1C)SCCc2cccc3c2cccc3 62a_100011290781_100009850809 [0,0,0,0,0,1|3,0,0]=4 418 B23R3.65601 Cc1cnc(cc1Cl)COCc2cccc3c2cccc3 34a_200000144627_100011261445 [0,0,0,0,0,1|3,0,0]=4 419 B23R3.65601 Cc1cnc(cc1Cl)COCc2cccc3c2cccc3 7a_200000144627_100011261445 [0,0,0,0,0,1|3,0,0]=4 420 B23R3.65601 Cc1cnc(cc1F)NCCc2cccc3c2cccc3 27a_100000751862_100009841206 [0,0,0,0,0,1|3,0,0]=4 421 B23R3.65601 Cc1cnc(cc1F)SCCc2cccc3c2cccc3 62a_100009841206_100011290781 [0,0,0,0,0,1|3,0,0]=4 422 B23R3.65601 Cc1cnc(cc1F)SCCc2cccc3c2cccc3 62a_100011290781_100009841206 [0,0,0,0,0,1|3,0,0]=4 423 B23R3.65601 Cc1cnc(cc1N)SCCc2cccc3c2cccc3 62a_100000126663_100011290781 [0,0,0,0,0,1|3,0,0]=4 424 B23R3.65601 Cc1cnc(cc1N)SCCc2cccc3c2cccc3 62a_100011290781_100000126663 [0,0,0,0,0,1|3,0,0]=4 425 B23R3.65601 Cc1cnc(cc1O)SCCc2cccc3c2cccc3 62a_100000704368_100011290781 [0,0,0,0,0,1|2,0,0]=3 426 B23R3.65601 Cc1cnc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100000704368 [0,0,0,0,0,1|2,0,0]=3 427 B23R3.65601 Cc1nc(c[nH]c1=O)SCCc2cccc3c2cccc3 62a_100010363809_100011290781 [0,0,0,0,0,1|3,0,0]=4 428 B23R3.65601 Cc1nc(c[nH]c1=O)SCCc2cccc3c2cccc3 62a_100011290781_100010363809 [0,0,0,0,0,1|3,0,0]=4 429 B23R3.65601 Cc1ncc(cc1O)SCCc2cccc3c2cccc3 62a_100009864810_100011290781 [0,0,0,0,0,1|2,0,1]=4 430 B23R3.65601 Cc1ncc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100009864810 [0,0,0,0,0,1|2,0,1]=4 431 B23R3.65601 Clc1cc(ncc1Br)OCCc2cccc3c2cccc3 34a_100010369989_100011290781 [0,0,0,0,0,1|3,0,0]=4 432 B23R3.65601 Clc1cnc(cc1Cl)OCCc2cccc3c2cccc3 34a_200000099200_100011290781 [0,0,0,0,0,1|3,0,0]=4 433 B23R3.65601 Cn1cc(ncc1=O)SCCc2cccc3c2cccc3 62a_100009843036_100011290781 [0,0,0,0,0,1|3,0,0]=4 434 B23R3.65601 Cn1cc(ncc1=O)SCCc2cccc3c2cccc3 62a_100011290781_100009843036 [0,0,0,0,0,1|3,0,0]=4 435 B23R3.65601 Nc1cc(n[nH]c1=O)SCCc2cccc3c2cccc3 62a_100011290781_100000102183 [0,0,0,0,0,1|1,0,0]=2 436 B23R3.65601 Nc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100000126464_100011290781 [0,0,0,0,0,1|3,0,0]=4 437 B23R3.65601 Nc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100011290781_100000126464 [0,0,0,0,0,1|3,0,0]=4 438 B23R3.65601 Nc1cc(ncc1O)SCCc2cccc3c2cccc3 62a_100009819941_100011290781 [0,0,0,0,0,1|2,0,1]=4 439 B23R3.65601 Nc1cc(ncc1O)SCCc2cccc3c2cccc3 62a_100011290781_100009819941 [0,0,0,0,0,1|2,0,1]=4 440 B23R3.65601 Nc1ccc(cc1O)SCCc2cccc3c2cccc3 62a_100000739049_100011290781 [0,0,0,0,0,1|3,0,0]=4 441 B23R3.65601 Nc1ccc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100000739049 [0,0,0,0,0,1|3,0,0]=4 442 B23R3.65601 Nc1cnc(cc1N)SCCc2cccc3c2cccc3 62a_100000067514_100011290781 [0,0,0,0,0,1|3,0,0]=4 443 B23R3.65601 Nc1cnc(cc1N)SCCc2cccc3c2cccc3 62a_100011290781_100000067514 [0,0,0,0,0,1|3,0,0]=4 444 B23R3.65601 Nc1ncc(cc1O)SCCc2cccc3c2cccc3 62a_100009819042_100011290781 [0,0,0,0,0,1|2,0,1]=4 445 B23R3.65601 Nc1ncc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100009819042 [0,0,0,0,0,1|2,0,1]=4 446 B23R3.65601 O=c1[nH]cc(cc1Br)SCCc2cccc3c2cccc3 62a_100010125443_100011290781 [0,0,0,0,0,1|2,0,0]=3 447 B23R3.65601 O=c1[nH]cc(cc1Br)SCCc2cccc3c2cccc3 62a_100011290781_100010125443 [0,0,0,0,0,1|2,0,0]=3 448 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2cccc3 207a_100000753325_100000051075 [0,0,0,0,0,1|2,0,0]=3 449 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2cccc3 270004a_100000753325_100000051075 [0,0,0,0,0,1|2,0,0]=3 450 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2cccn3 207a_100020628785_100000051075 [0,0,0,0,0,1|3,0,0]=4 451 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2cccn3 270004a_100020628785_100000051075 [0,0,0,0,0,1|3,0,0]=4 452 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2ccnc3 207a_100011757365_100000051075 [0,0,0,0,0,1|3,0,0]=4 453 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2ccnc3 270004a_100011757365_100000051075 [0,0,0,0,0,1|3,0,0]=4 454 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2nccc3 207a_100011195829_100000051075 [0,0,0,0,0,1|3,0,0]=4 455 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2cccc3c2nccc3 270004a_100011195829_100000051075 [0,0,0,0,0,1|3,0,0]=4 456 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2ccnc3c2cccc3 207a_100015187208_100000051075 [0,0,0,0,0,1|3,0,0]=4 457 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2ccnc3c2cccc3 270004a_100015187208_100000051075 [0,0,0,0,0,1|3,0,0]=4 458 B23R3.65601 O=c1[nH]cc(cc1Cl)CNCc2nccc3c2cccc3 270004a_100000735229_100000051075 [0,0,0,0,0,1|3,0,0]=4 459 B23R3.65601 O=c1[nH]cc(cc1F)SCCc2cccc3c2cccc3 62a_100000723523_100011290781 [0,0,0,0,0,1|2,0,0]=3 460 B23R3.65601 O=c1[nH]cc(cc1F)SCCc2cccc3c2cccc3 62a_100011290781_100000723523 [0,0,0,0,0,1|2,0,0]=3 461 B23R3.65601 O=c1[nH]cc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100009814561 [0,0,0,0,0,1|1,0,0]=2 462 B23R3.65601 Oc1cc(ccc1Br)SCCc2cccc3c2cccc3 62a_100011290781_100012356990 [0,0,0,0,0,1|3,0,0]=4 463 B23R3.65601 Oc1cc(ccc1Br)SCCc2cccc3c2cccc3 62a_100012356990_100011290781 [0,0,0,0,0,1|3,0,0]=4 464 B23R3.65601 Oc1cc(ccc1Cl)CNCc2cccc3c2cccc3 34a_100020636435_100011261445 [0,0,0,0,0,1|3,0,0]=4 465 B23R3.65601 Oc1cc(ccc1Cl)NCCc2cccc3c2cccc3 34a_100011934209_100011290781 [0,0,0,0,0,1|3,0,0]=4 466 B23R3.65601 Oc1cc(ccc1Cl)SCCc2cccc3c2cccc3 62a_100011290781_100011356854 [0,0,0,0,0,1|3,0,0]=4 467 B23R3.65601 Oc1cc(ccc1Cl)SCCc2cccc3c2cccc3 62a_100011356854_100011290781 [0,0,0,0,0,1|3,0,0]=4 468 B23R3.65601 Oc1cc(ccc1F)CNCc2cccc3c2cccc3 207a_100160469508_100000210074 [0,0,0,0,0,1|3,0,0]=4 469 B23R3.65601 Oc1cc(ccc1F)CNCc2cccc3c2cccc3 270004a_100160469508_100000210074 [0,0,0,0,0,1|3,0,0]=4 470 B23R3.65601 Oc1cc(ccc1F)CNCc2cccc3c2cccc3 34a_100160469508_100011261445 [0,0,0,0,0,1|3,0,0]=4 471 B23R3.65601 Oc1cc(ccc1F)NCCc2cccc3c2cccc3 34a_100012017398_100011290781 [0,0,0,0,0,1|3,0,0]=4 472 B23R3.65601 Oc1cc(ccc1F)NCCc2cccc3c2cccc3 7a_100012017398_100011290781 [0,0,0,0,0,1|3,0,0]=4 473 B23R3.65601 Oc1cc(ccc1F)SCCc2cccc3c2cccc3 62a_100000686035_100011290781 [0,0,0,0,0,1|3,0,0]=4 474 B23R3.65601 Oc1cc(ccc1F)SCCc2cccc3c2cccc3 62a_100011290781_100000686035 [0,0,0,0,0,1|3,0,0]=4 475 B23R3.65601 Oc1cc(cnc1F)SCCc2cccc3c2cccc3 62a_100009819871_100011290781 [0,0,0,0,0,1|2,0,1]=4 476 B23R3.65601 Oc1cc(cnc1F)SCCc2cccc3c2cccc3 62a_100011290781_100009819871 [0,0,0,0,0,1|2,0,1]=4 477 B23R3.65601 Oc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100009854642_100011290781 [0,0,0,0,0,1|2,0,0]=3 478 B23R3.65601 Oc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100011290781_100009854642 [0,0,0,0,0,1|2,0,0]=3 479 B23R3.65601 Oc1ccc(cc1O)CCOc2cccc3c2cccc3 7a_100000210388_200010393615 [0,0,0,0,0,1|2,0,1]=4 480 B23R3.65601 Oc1ccc(cc1O)CNCc2cccc3c2cccc3 34a_100000010075_100011261445 [0,0,0,0,0,1|2,0,1]=4 481 B23R3.65601 Oc1ccc(cc1O)NCCc2cccc3c2cccc3 34a_100102946323_100011290781 [0,0,0,0,0,1|2,0,1]=4 482 B23R3.65601 Oc1ccc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100009813601 [0,0,0,0,0,1|2,0,1]=4 483 B23R3.65601 Oc1nc(ncc1F)NCCc2cccc3c2cccc3 27a_100000751862_100011995740 [0,0,0,0,0,1|3,0,0]=4 484 B23R3.65601 Oc1nc(ncc1F)SCCc2cccc3c2cccc3 62a_100011290781_100011995740 [0,0,0,0,0,1|3,0,0]=4 485 B20R3.2720 c1ccc(nc1)CNc2cccc3c2cccc3 207a_100000185869_100000209966 [2,0,0,0,0,0|2,0,0]=4 486 B20R3.2720 c1ccc(nc1)CNc2cccc3c2cccc3 34a_100000185869_100000721315 [2,0,0,0,0,0|2,0,0]=4 487 B20R3.2720 c1ccc(nc1)COc2cccc3c2cccc3 34a_100000210388_100000721315 [2,0,0,0,0,0|2,0,0]=4 488 B20R3.2720 c1ccc(nc1)COc2cccc3c2cccc3 7a_100000210388_100000721315 [2,0,0,0,0,0|2,0,0]=4 489 B20R3.2720 c1ccc(nc1)CSc2cccc3c2cccc3 62a_100000721315_100000210605 [2,0,0,0,0,0|2,0,0]=4 490 B20R3.2720 c1ccc(nc1)SCc2cccc3c2cccc3 62a_100011216584_100000188474 [2,0,0,0,0,0|2,0,0]=4 491 B20R3.2720 c1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100011216584 [2,0,0,0,0,0|2,0,0]=4 492 B20R3.2720 c1cnnc(c1)CNc2cccc3c2cccc3 34a_100000185869_100016990269 [2,0,0,0,0,0|1,0,1]=4 493 B20R3.2720 c1cnnc(c1)COc2cccc3c2cccc3 34a_100000210388_100016990269 [2,0,0,0,0,0|1,0,1]=4 494 B20R3.2720 c1cnnc(c1)COc2cccc3c2cccc3 7a_100000210388_100016990269 [2,0,0,0,0,0|1,0,1]=4 495 B20R3.2720 c1cnnc(c1)CSc2cccc3c2cccc3 62a_100016990269_100000210605 [2,0,0,0,0,0|1,0,1]=4 496 B20R3.2720 c1cnnc(c1)NCc2cccc3c2cccc3 27a_100000753325_100016991348 [2,0,0,0,0,0|1,0,1]=4 497 B20R3.2720 c1cnnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100016991348 [2,0,0,0,0,0|1,0,1]=4 498 B20R3.2720 c1cnnc(c1)SCc2cccc3c2cccc3 62a_100016991348_100000188474 [2,0,0,0,0,0|1,0,1]=4 499 B22R2.34797131 C=C(C)C(=O)NCC(=O)CCc1cccc2c1cccc2 1458a_100000076187_100011290781 [0,1,1,0,0,0|2,0,0]=4 500 B22R3.314 O=Cc1ccc(nc1)SCc2cccc3c2cccc3 62a_100000766901_100000188474 [1,1,0,0,0,0|2,0,0]=4 501 B22R3.314 O=Cc1ccc(nc1)SCc2cccc3c2cccc3 62a_100011261445_100000766901 [1,1,0,0,0,0|2,0,0]=4 502 B22R3.314 O=Cc1ccc(nn1)SCc2cccc3c2cccc3 62a_100000044651_100000188474 [1,1,0,0,0,0|1,0,1]=4 503 B22R3.314 O=Cc1ccc(nn1)SCc2cccc3c2cccc3 62a_100011261445_100000044651 [1,1,0,0,0,0|1,0,1]=4 504 B22R3.32389 Cc1cc(=O)[nH]nc1SCc2cccc3c2cccc3 62a_100011261445_100000081757 [1,1,0,0,0,0|1,0,0]=3 505 B22R3.32389 Cc1cc(=O)[nH]nc1SCc2cccc3c2ccnc3 62a_100016989825_100000081757 [1,1,0,0,0,0|2,0,0]=4 506 B22R3.32389 Cc1cc(=O)[nH]nc1SCc2ccnc3c2cccc3 62a_100015192512_100000081757 [1,1,0,0,0,0|2,0,0]=4 507 B22R3.32389 Cc1cc(=O)[nH]nc1SCc2nccc3c2cccc3 62a_100000033776_100000081757 [1,1,0,0,0,0|2,0,0]=4 508 B22R3.32389 Nc1[nH]c(=O)ccc1SCc2cccc3c2cccc3 62a_100009884077_100000188474 [1,1,0,0,0,0|2,0,0]=4 509 B22R3.32389 O=c1[nH]nc(c(=O)[nH]1)NCc2cccc3c2cccc3 27a_100000753325_100000181694 [1,1,0,0,0,0|2,0,0]=4 510 B22R3.32389 O=c1[nH]nc(c(=O)[nH]1)SCc2cccc3c2cccc3 62a_100011261445_100000181694 [1,1,0,0,0,0|2,0,0]=4 511 B22R3.32389 O=c1cc(c(c[nH]1)SCc2cccc3c2cccc3)F 62a_100011261445_100015631685 [1,1,0,0,0,0|2,0,0]=4 512 B22R3.32389 O=c1cc(c(c[nH]1)SCc2cccc3c2cccc3)F 62a_100015631685_100000188474 [1,1,0,0,0,0|2,0,0]=4 513 B22R3.46700 C[n+]1cccc2c1cccc2NCc3ccc(=O)[nH]n3 207a_200021579679_100011361533 [1,1,0,0,0,0|2,0,0]=4 514 B22R3.46700 Cc1ccnc2c1cccc2NCc3ccc(=O)[nH]n3 207a_100011934384_100011361533 [1,1,0,0,0,0|2,0,0]=4 515 B22R3.46700 O=c1ccc(n[nH]1)CNc2cccc3c2cc[nH]c3=O 207a_100000080576_100011361533 [1,1,0,0,0,0|2,0,0]=4 516 B22R3.46700 O=c1ccc(n[nH]1)CNc2cccc3c2cccc3Br 207a_100009816864_100011361533 [1,1,0,0,0,0|1,0,0]=3 517 B22R3.46700 O=c1ccc(n[nH]1)CNc2cccc3c2cccc3Cl 207a_100000077128_100011361533 [1,1,0,0,0,0|1,0,0]=3 518 B22R3.46700 O=c1ccc(n[nH]1)CNc2cccc3c2cccc3O 207a_100000210686_100011361533 [1,1,0,0,0,0|1,0,0]=3 519 B22R3.1028474 Cc1cc(c2ccccc2n1)CSc3ccc(=O)[nH]n3 62a_100000755639_100009820020 [1,1,0,0,0,0|2,0,0]=4 520 B22R3.1028474 Cc1cc(c2ccccc2n1)CSc3ccc(=O)[nH]n3 62a_100009820020_100000755639 [1,1,0,0,0,0|2,0,0]=4 521 B22R3.1028474 O=c1ccc(n[nH]1)CNc2cc(cc3c2cccc3)Br 207a_100010171453_100011361533 [1,1,0,0,0,0|1,0,0]=3 522 B22R3.1028474 O=c1ccc(n[nH]1)CNc2cc(cc3c2cccn3)Br 207a_200010263263_100011361533 [1,1,0,0,0,0|2,0,0]=4 523 B22R3.1028474 O=c1ccc(n[nH]1)CNc2cc(cc3c2nccc3)Br 207a_100009814519_100011361533 [1,1,0,0,0,0|2,0,0]=4 524 B22R3.1028474 O=c1ccc(n[nH]1)CNc2cc(cc3c2nccc3)Cl 207a_100000026717_100011361533 [1,1,0,0,0,0|2,0,0]=4 525 B22R3.1028474 O=c1ccc(n[nH]1)CNc2cc(cc3c2nccc3)F 207a_100000088212_100011361533 [1,1,0,0,0,0|2,0,0]=4 526 B22R3.1028474 O=c1ccc(n[nH]1)SCc2cc(nc3c2cccc3)Cl 62a_100009820020_200010137201 [1,1,0,0,0,0|2,0,0]=4 527 B22R3.1028474 O=c1ccc(n[nH]1)SCc2cc(nc3c2cccc3)Cl 62a_200010137201_100009820020 [1,1,0,0,0,0|2,0,0]=4 528 B22R3.1028474 O=c1ccc(n[nH]1)SCc2cc(nc3c2cccc3)O 62a_100009820020_100000187625 [1,1,0,0,0,0|2,0,0]=4 529 B22R3.1028798 Cc1ccc2ccccc2c1COc3ccc(=O)[nH]c3 34a_100000075641_100000689653 [1,1,0,0,0,0|2,0,0]=4 530 B22R3.1028798 Cc1ccc2ccccc2c1CSc3ccc(=O)[nH]c3 62a_100000212171_100000689653 [1,1,0,0,0,0|2,0,0]=4 531 B22R3.1028798 Cc1ccc2ccccc2c1CSc3ccc(=O)[nH]c3 62a_100000689653_100000212171 [1,1,0,0,0,0|2,0,0]=4 532 B22R3.1028798 Cc1ccc2ccccc2c1CSc3ccc(=O)[nH]n3 62a_100000689653_100009820020 [1,1,0,0,0,0|1,0,0]=3 533 B22R3.1028798 Cc1ccc2ccccc2c1CSc3ccc(=O)[nH]n3 62a_100009820020_100000689653 [1,1,0,0,0,0|1,0,0]=3 534 B22R3.1028798 Cc1ccc2ccccc2c1NCc3ccc(=O)[nH]n3 207a_100000688109_100011361533 [1,1,0,0,0,0|1,0,0]=3 535 B22R3.1028798 Cc1ccc2cccnc2c1NCc3ccc(=O)[nH]n3 207a_100000065890_100011361533 [1,1,0,0,0,0|2,0,0]=4 536 B22R3.1028798 Cc1ccc2ncccc2c1NCc3ccc(=O)[nH]n3 207a_100011933972_100011361533 [1,1,0,0,0,0|2,0,0]=4 537 B22R3.1028996 Cc1ccc2cccc(c2n1)NCc3ccc(=O)[nH]n3 207a_100000019871_100011361533 [1,1,0,0,0,0|2,0,0]=4 538 B22R3.1028996 O=c1ccc(n[nH]1)CNc2cccc3c2cc(cc3)Br 207a_100010090012_100011361533 [1,1,0,0,0,0|1,0,0]=3 539 B22R3.1028996 O=c1ccc(n[nH]1)CNc2cccc3c2cc(cn3)Br 207a_100010264086_100011361533 [1,1,0,0,0,0|2,0,0]=4 540 B22R3.1028997 Cc1cccc2c1c(ccc2)NCc3ccc(=O)[nH]n3 207a_100009841044_100011361533 [1,1,0,0,0,0|1,0,0]=3 541 B22R3.1028997 Cc1cncc2c1c(ccc2)NCc3ccc(=O)[nH]n3 207a_100009845824_100011361533 [1,1,0,0,0,0|2,0,0]=4 542 B22R3.1028997 O=c1ccc(n[nH]1)CNc2cccc3c2[n+](ccc3)[O-] 207a_200000070183_100011361533 [1,1,0,0,0,0|2,0,0]=4 543 B22R3.1028997 O=c1ccc(n[nH]1)CNc2cccc3c2c(ccc3)Br 207a_100010002837_100011361533 [1,1,0,0,0,0|1,0,0]=3 544 B22R3.1028997 O=c1ccc(n[nH]1)CNc2cccc3c2c(ccc3)Cl 207a_100009857565_100011361533 [1,1,0,0,0,0|1,0,0]=3 545 B22R3.1028997 O=c1ccc(n[nH]1)CNc2cccc3c2c(ccc3)F 207a_100009878580_100011361533 [1,1,0,0,0,0|1,0,0]=3 546 B22R3.1028997 O=c1ccc(n[nH]1)CNc2cccc3c2c(cnc3)Br 207a_100000720362_100011361533 [1,1,0,0,0,0|2,0,0]=4 547 B22R3.15336736 Cc1ccc2c(cccc2n1)NCc3ccc(=O)[nH]n3 207a_106741707140_100011361533 [1,1,0,0,0,0|2,0,0]=4 548 B22R3.15336736 O=c1ccc(n[nH]1)CNc2cccc3c2ccc(c3)Br 207a_100010090037_100011361533 [1,1,0,0,0,0|1,0,0]=3 549 B22R3.15336736 O=c1ccc(n[nH]1)CNc2cccc3c2ncc(c3)Br 207a_100000702407_100011361533 [1,1,0,0,0,0|2,0,0]=4 550 B22R3.15336736 O=c1ccc(n[nH]1)CNc2cccc3c2ncc(c3)I 207a_100010214492_100011361533 [1,1,0,0,0,0|2,0,0]=4 551 B22R3.15337337 Cc1ccc(c2c1cccc2)COc3ccc(=O)[nH]c3 34a_100000075641_100012073487 [1,1,0,0,0,0|2,0,0]=4 552 B22R3.15337337 Cc1ccc(c2c1cccc2)CSc3ccc(=O)[nH]c3 62a_100000212171_100012073487 [1,1,0,0,0,0|2,0,0]=4 553 B22R3.15337337 Cc1ccc(c2c1cccc2)CSc3ccc(=O)[nH]c3 62a_100012073487_100000212171 [1,1,0,0,0,0|2,0,0]=4 554 B22R3.15337337 Cc1ccc(c2c1cccc2)CSc3ccc(=O)[nH]n3 62a_100009820020_100012073487 [1,1,0,0,0,0|1,0,0]=3 555 B22R3.15337337 Cc1ccc(c2c1cccc2)CSc3ccc(=O)[nH]n3 62a_100012073487_100009820020 [1,1,0,0,0,0|1,0,0]=3 556 B22R3.15337337 Cc1ccc(c2c1nccc2)NCc3ccc(=O)[nH]n3 207a_100000736242_100011361533 [1,1,0,0,0,0|2,0,0]=4 557 B22R3.15337337 O=c1ccc(c[nH]1)OCc2ccc(c3c2cccc3)Br 34a_100000075641_100012352185 [1,1,0,0,0,0|2,0,0]=4 558 B22R3.15337337 O=c1ccc(c[nH]1)OCc2ccc(c3c2cccc3)F 34a_100000075641_100011988723 [1,1,0,0,0,0|2,0,0]=4 559 B22R3.15337337 O=c1ccc(c[nH]1)SCc2ccc(c3c2cccc3)Br 62a_100000212171_100012352185 [1,1,0,0,0,0|2,0,0]=4 560 B22R3.15337337 O=c1ccc(c[nH]1)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100000212171 [1,1,0,0,0,0|2,0,0]=4 561 B22R3.15337337 O=c1ccc(c[nH]1)SCc2ccc(c3c2cccc3)F 62a_100000212171_100011988723 [1,1,0,0,0,0|2,0,0]=4 562 B22R3.15337337 O=c1ccc(c[nH]1)SCc2ccc(c3c2cccc3)F 62a_100011988723_100000212171 [1,1,0,0,0,0|2,0,0]=4 563 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2cccc3)Br 207a_100000766797_100011361533 [1,1,0,0,0,0|1,0,0]=3 564 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2cccc3)Cl 207a_100011216319_100011361533 [1,1,0,0,0,0|1,0,0]=3 565 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2cccc3)F 207a_100011988692_100011361533 [1,1,0,0,0,0|1,0,0]=3 566 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2cccn3)Br 207a_100012360041_100011361533 [1,1,0,0,0,0|2,0,0]=4 567 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2cccn3)Cl 207a_100000746469_100011361533 [1,1,0,0,0,0|2,0,0]=4 568 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2cccn3)F 207a_102125277280_100011361533 [1,1,0,0,0,0|2,0,0]=4 569 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2ccnc3)Br 207a_200012344021_100011361533 [1,1,0,0,0,0|2,0,0]=4 570 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2ccnc3)Cl 207a_100012183343_100011361533 [1,1,0,0,0,0|2,0,0]=4 571 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2cncc3)Br 207a_100011218454_100011361533 [1,1,0,0,0,0|2,0,0]=4 572 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2nccc3)Br 207a_100000726955_100011361533 [1,1,0,0,0,0|2,0,0]=4 573 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2nccc3)Cl 207a_100000736140_100011361533 [1,1,0,0,0,0|2,0,0]=4 574 B22R3.15337337 O=c1ccc(n[nH]1)CNc2ccc(c3c2nccc3)I 207a_100012970284_100011361533 [1,1,0,0,0,0|2,0,0]=4 575 B22R3.15337337 O=c1ccc(n[nH]1)SCc2ccc(c3c2cccc3)Br 62a_100009820020_100012352185 [1,1,0,0,0,0|1,0,0]=3 576 B22R3.15337337 O=c1ccc(n[nH]1)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100009820020 [1,1,0,0,0,0|1,0,0]=3 577 B22R3.15337337 O=c1ccc(n[nH]1)SCc2ccc(c3c2cccc3)F 62a_100009820020_100011988723 [1,1,0,0,0,0|1,0,0]=3 578 B22R3.15337337 O=c1ccc(n[nH]1)SCc2ccc(c3c2cccc3)F 62a_100011988723_100009820020 [1,1,0,0,0,0|1,0,0]=3 579 B22R3.15337337 O=c1ccc(n[nH]1)SCc2ccc(c3c2cccn3)O 62a_100009820020_100000683097 [1,1,0,0,0,0|2,0,0]=4 580 B22R3.31718 Oc1ccnc(c1F)SCc2cccc3c2cccc3 62a_100009876375_100000188474 [1,1,0,0,0,0|2,0,0]=4 581 B22R3.31718 Oc1ccnc(c1F)SCc2cccc3c2cccc3 62a_100011261445_100009876375 [1,1,0,0,0,0|2,0,0]=4 582 B22R3.59600 COc1ccnc(c1)CNc2cccc3c2cccc3 207a_100000185869_100000087537 [1,1,0,0,0,0|2,0,0]=4 583 B22R3.59600 COc1ccnc(c1)CNc2cccc3c2cccc3 34a_100000185869_100000752681 [1,1,0,0,0,0|2,0,0]=4 584 B22R3.59600 COc1ccnc(c1)COc2cccc3c2cccc3 34a_100000210388_100000752681 [1,1,0,0,0,0|2,0,0]=4 585 B22R3.59600 COc1ccnc(c1)COc2cccc3c2cccc3 7a_100000210388_100000752681 [1,1,0,0,0,0|2,0,0]=4 586 B22R3.59600 COc1ccnc(c1)CSc2cccc3c2cccc3 62a_100000752681_100000210605 [1,1,0,0,0,0|2,0,0]=4 587 B22R3.59600 COc1ccnc(c1)SCc2cccc3c2cccc3 62a_100009817693_100000188474 [1,1,0,0,0,0|2,0,0]=4 588 B22R3.59600 COc1ccnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100011216251 [1,1,0,0,0,0|2,0,0]=4 589 B22R3.59600 COc1cnnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100000087634 [1,1,0,0,0,0|1,0,1]=4 590 B22R3.59600 OCc1ccnc(c1)SCc2cccc3c2cccc3 62a_100009814636_100000188474 [1,1,0,0,0,0|2,0,0]=4 591 B22R3.59600 OCc1ccnc(c1)SCc2cccc3c2cccc3 62a_100011261445_100009814636 [1,1,0,0,0,0|2,0,0]=4 592 B22R3.5442447 Cc1ccc(c2c1cccc2)CSc3cc(ccn3)O 62a_100012073487_100000762945 [1,1,0,0,0,0|2,0,0]=4 593 B22R3.5442447 Cc1ccc(c2c1cccc2)CSc3cc(cnn3)O 62a_100012073487_200010734679 [1,1,0,0,0,0|1,0,1]=4 594 B22R3.5442447 Oc1ccnc(c1)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100000762945 [1,1,0,0,0,0|2,0,0]=4 595 B22R3.5442447 Oc1ccnc(c1)SCc2ccc(c3c2cccc3)F 62a_100011988723_100000762945 [1,1,0,0,0,0|2,0,0]=4 596 B22R3.5442447 Oc1cnnc(c1)SCc2ccc(c3c2cccc3)Br 62a_100012352185_200010734679 [1,1,0,0,0,0|1,0,1]=4 597 B22R3.5442447 Oc1cnnc(c1)SCc2ccc(c3c2cccc3)F 62a_100011988723_200010734679 [1,1,0,0,0,0|1,0,1]=4 598 B22R3.5442950 Cc1ccc2ccccc2c1CSc3cc(ccn3)O 62a_100000689653_100000762945 [1,1,0,0,0,0|2,0,0]=4 599 B22R3.5442950 Cc1ccc2ccccc2c1CSc3cc(cnn3)O 62a_100000689653_200010734679 [1,1,0,0,0,0|1,0,1]=4 600 B22R3.593210 Cc1cc(nn(c1=O)C)Sc2cccc3c2cccc3 62a_100010988966_100000210605 [0,1,0,0,1,0|2,0,0]=4 601 B22R3.1019225 Cc1cc(n[nH]c1=O)Sc2cc(cc3c2cccc3)N 62a_100010089974_100012187101 [0,1,0,0,1,0|2,0,0]=4 602 B22R3.1019225 Nc1cc(c2ccccc2c1)Sc3c[nH]c(=O)c(c3)O 62a_100010089974_100009814561 [0,1,0,0,1,0|2,0,0]=4 603 B22R3.1019225 Nc1cc(c2ccccc2c1)Sc3cc(c(=O)[nH]n3)N 62a_100010089974_100000102183 [0,1,0,0,1,0|2,0,0]=4 604 B22R3.1019563 Cc1cc(n[nH]c1=O)Sc2c(ccc3c2cccc3)Br 62a_100010090040_100012187101 [0,1,0,0,1,0|2,0,0]=4 605 B22R3.1019563 Cc1cc(n[nH]c1=O)Sc2c(ccc3c2cccc3)N 62a_100000705303_100012187101 [0,1,0,0,1,0|2,0,0]=4 606 B22R3.1019563 Cc1ccc2ccccc2c1Sc3c[nH]c(=O)c(c3)O 62a_100000759710_100009814561 [0,1,0,0,1,0|2,0,0]=4 607 B22R3.1019563 Cc1ccc2ccccc2c1Sc3cc(c(=O)[nH]n3)C 62a_100000759710_100012187101 [0,1,0,0,1,0|2,0,0]=4 608 B22R3.1019563 Cc1ccc2ccccc2c1Sc3cc(c(=O)[nH]n3)N 62a_100000759710_100000102183 [0,1,0,0,1,0|2,0,0]=4 609 B22R3.1019563 Nc1cc(n[nH]c1=O)Sc2c(ccc3c2cccc3)Br 62a_100010090040_100000102183 [0,1,0,0,1,0|2,0,0]=4 610 B22R3.1019563 Nc1ccc2ccccc2c1Sc3c[nH]c(=O)c(c3)O 62a_100000705303_100009814561 [0,1,0,0,1,0|2,0,0]=4 611 B22R3.1019563 Nc1ccc2ccccc2c1Sc3cc(c(=O)[nH]n3)N 62a_100000705303_100000102183 [0,1,0,0,1,0|2,0,0]=4 612 B22R3.1019563 O=c1[nH]cc(cc1O)Sc2c(ccc3c2cccc3)Br 62a_100010090040_100009814561 [0,1,0,0,1,0|2,0,0]=4 613 B22R3.10328304 Cc1cc(n[nH]c1=O)Sc2cccc3c2cccc3F 62a_100009817034_100012187101 [0,1,0,0,1,0|2,0,0]=4 614 B22R3.10328304 Cc1cc(n[nH]c1=O)Sc2cccc3c2cccc3N 62a_100009816864_100012187101 [0,1,0,0,1,0|2,0,0]=4 615 B22R3.10328304 Nc1cc(n[nH]c1=O)Sc2cccc3c2cccc3F 62a_100009817034_100000102183 [0,1,0,0,1,0|2,0,0]=4 616 B22R3.10328304 Nc1cc(n[nH]c1=O)Sc2cccc3c2cccc3N 62a_100009816864_100000102183 [0,1,0,0,1,0|2,0,0]=4 617 B22R3.10328304 Nc1cccc2c1cccc2Sc3c[nH]c(=O)c(c3)O 62a_100009816864_100009814561 [0,1,0,0,1,0|2,0,0]=4 618 B22R3.10328304 O=c1[nH]cc(cc1O)Sc2cccc3c2cccc3F 62a_100009817034_100009814561 [0,1,0,0,1,0|2,0,0]=4 619 B22R3.15268404 Cc1cc(n[nH]c1=O)Sc2ccc(c3c2cccc3)Br 62a_100012339872_100012187101 [0,1,0,0,1,0|2,0,0]=4 620 B22R3.15268404 Cc1cc(n[nH]c1=O)Sc2ccc(c3c2cccc3)C 62a_100011215156_100012187101 [0,1,0,0,1,0|2,0,0]=4 621 B22R3.15268404 Cc1cc(n[nH]c1=O)Sc2ccc(c3c2cccc3)F 62a_100011218216_100012187101 [0,1,0,0,1,0|2,0,0]=4 622 B22R3.15268404 Cc1cc(n[nH]c1=O)Sc2ccc(c3c2cccc3)N 62a_100000766797_100012187101 [0,1,0,0,1,0|2,0,0]=4 623 B22R3.15268404 Cc1ccc(c2c1cccc2)Sc3c[nH]c(=O)c(c3)O 62a_100011215156_100009814561 [0,1,0,0,1,0|2,0,0]=4 624 B22R3.15268404 Cc1ccc(c2c1cccc2)Sc3cc(c(=O)[nH]n3)N 62a_100011215156_100000102183 [0,1,0,0,1,0|2,0,0]=4 625 B22R3.15268404 Nc1cc(n[nH]c1=O)Sc2ccc(c3c2cccc3)Br 62a_100012339872_100000102183 [0,1,0,0,1,0|2,0,0]=4 626 B22R3.15268404 Nc1cc(n[nH]c1=O)Sc2ccc(c3c2cccc3)F 62a_100011218216_100000102183 [0,1,0,0,1,0|2,0,0]=4 627 B22R3.15268404 Nc1cc(n[nH]c1=O)Sc2ccc(c3c2cccc3)N 62a_100000766797_100000102183 [0,1,0,0,1,0|2,0,0]=4 628 B22R3.15268404 Nc1ccc(c2c1cccc2)Sc3c[nH]c(=O)c(c3)O 62a_100000766797_100009814561 [0,1,0,0,1,0|2,0,0]=4 629 B22R3.15268404 O=c1[nH]cc(cc1O)Sc2ccc(c3c2cccc3)Br 62a_100012339872_100009814561 [0,1,0,0,1,0|2,0,0]=4 630 B22R3.15268404 O=c1[nH]cc(cc1O)Sc2ccc(c3c2cccc3)F 62a_100011218216_100009814561 [0,1,0,0,1,0|2,0,0]=4 631 B22R3.71386666 Cc1cc(n[nH]c1=O)Sc2cccc3c2c(ccc3)Br 62a_100010243825_100012187101 [0,1,0,0,1,0|2,0,0]=4 632 B22R3.71386666 Cc1cc(n[nH]c1=O)Sc2cccc3c2c(ccc3)F 62a_100010177852_100012187101 [0,1,0,0,1,0|2,0,0]=4 633 B22R3.71386666 Cc1cc(n[nH]c1=O)Sc2cccc3c2c(ccc3)N 62a_100010002837_100012187101 [0,1,0,0,1,0|2,0,0]=4 634 B22R3.71386666 Nc1cc(n[nH]c1=O)Sc2cccc3c2c(ccc3)Br 62a_100010243825_100000102183 [0,1,0,0,1,0|2,0,0]=4 635 B22R3.71386666 Nc1cc(n[nH]c1=O)Sc2cccc3c2c(ccc3)F 62a_100010177852_100000102183 [0,1,0,0,1,0|2,0,0]=4 636 B22R3.71386666 Nc1cc(n[nH]c1=O)Sc2cccc3c2c(ccc3)N 62a_100010002837_100000102183 [0,1,0,0,1,0|2,0,0]=4 637 B22R3.71386666 Nc1cccc2c1c(ccc2)Sc3c[nH]c(=O)c(c3)O 62a_100010002837_100009814561 [0,1,0,0,1,0|2,0,0]=4 638 B22R3.71386666 O=c1[nH]cc(cc1O)Sc2cccc3c2c(ccc3)Br 62a_100010243825_100009814561 [0,1,0,0,1,0|2,0,0]=4 639 B22R3.71386666 O=c1[nH]cc(cc1O)Sc2cccc3c2c(ccc3)F 62a_100010177852_100009814561 [0,1,0,0,1,0|2,0,0]=4 640 B24R3.1192 CN(Cc1c[nH]c(=O)c(c1)Cl)Cc2cccc3c2cccc3 270004a_100000741213_100000051075 [0,1,0,0,0,1|2,0,0]=4 641 B24R3.7243 COc1cc(c[nH]c1=O)SCCc2cccc3c2cccc3 62a_100011290781_100010125397 [0,1,0,0,0,1|1,0,0]=3 642 B24R3.7243 COc1cc(ncc1Br)COCc2cccc3c2cccc3 34a_100010999569_100011261445 [0,1,0,0,0,1|2,0,0]=4 643 B24R3.7243 COc1cc(ncc1C)SCCc2cccc3c2cccc3 62a_100010067687_100011290781 [0,1,0,0,0,1|2,0,0]=4 644 B24R3.7243 COc1cc(ncc1C)SCCc2cccc3c2cccc3 62a_100011290781_100010067687 [0,1,0,0,0,1|2,0,0]=4 645 B24R3.7243 COc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100011290781_200010136270 [0,1,0,0,0,1|2,0,0]=4 646 B24R3.7243 COc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_200010136270_100011290781 [0,1,0,0,0,1|2,0,0]=4 647 B24R3.7243 COc1cc(ncc1N)SCCc2cccc3c2cccc3 62a_100009887741_100011290781 [0,1,0,0,0,1|2,0,0]=4 648 B24R3.7243 COc1cc(ncc1N)SCCc2cccc3c2cccc3 62a_100011290781_100009887741 [0,1,0,0,0,1|2,0,0]=4 649 B24R3.7243 COc1cc(nnc1N)SCCc2cccc3c2cccc3 62a_100000688033_100011290781 [0,1,0,0,0,1|1,0,1]=4 650 B24R3.7243 COc1cc(nnc1N)SCCc2cccc3c2cccc3 62a_100011290781_100000688033 [0,1,0,0,0,1|1,0,1]=4 651 B24R3.7243 OCc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100000081974_100011290781 [0,1,0,0,0,1|2,0,0]=4 652 B24R3.7243 OCc1cc(ncc1F)SCCc2cccc3c2cccc3 62a_100011290781_100000081974 [0,1,0,0,0,1|2,0,0]=4 653 B24R3.263211 Cc1[nH]c(=O)c(cc1SCCc2cccc3c2cccc3)N 62a_100010126670_100011290781 [0,1,0,0,0,1|2,0,0]=4 654 B24R3.263211 Cc1[nH]c(=O)c(cc1SCCc2cccc3c2cccc3)N 62a_100011290781_100010126670 [0,1,0,0,0,1|2,0,0]=4 655 B24R3.266461 Cc1c(c[nH]c(=O)c1N)SCCc2cccc3c2cccc3 62a_100010163742_100011290781 [0,1,0,0,0,1|2,0,0]=4 656 B24R3.266461 Cc1c(c[nH]c(=O)c1N)SCCc2cccc3c2cccc3 62a_100011290781_100010163742 [0,1,0,0,0,1|2,0,0]=4 657 B24R3.1026467 C[C@H](NCc1c[nH]c(=O)c(c1)Cl)c2cccc3c2cccc3 207a_100011830313_100000051075 [0,1,0,0,0,1|2,0,0]=4 658 B24R3.1026467 C[C@H](NCc1c[nH]c(=O)c(c1)Cl)c2cccc3c2cccc3 270004a_100011830313_100000051075 [0,1,0,0,0,1|2,0,0]=4 659 B24R3.1026467 Cc1cc(n[nH]c1=O)SCC(=O)c2cccc3c2cccc3 62a_100000211450_100012187101 [0,1,0,0,0,1|1,0,1]=4 660 B24R3.1026467 Nc1cc(n[nH]c1=O)SCC(=O)c2cccc3c2cccc3 62a_100000211450_100000102183 [0,1,0,0,0,1|1,0,1]=4 661 B24R3.1026467 O=C(CSc1c[nH]c(=O)c(c1)O)c2cccc3c2cccc3 62a_100000211450_100009814561 [0,1,0,0,0,1|1,0,1]=4 662 B24R3.2133988 COc1cnc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100010264082 [0,1,0,0,0,1|1,0,1]=4 663 B24R3.2133988 Cc1cc(ncc1C=O)SCCc2cccc3c2cccc3 62a_100000085382_100011290781 [0,1,0,0,0,1|2,0,0]=4 664 B24R3.2133988 Cc1cc(ncc1C=O)SCCc2cccc3c2cccc3 62a_100011290781_100000085382 [0,1,0,0,0,1|2,0,0]=4 665 B24R3.2133988 Nc1cc(ncc1C=O)SCCc2cccc3c2cccc3 62a_100000050503_100011290781 [0,1,0,0,0,1|2,0,0]=4 666 B24R3.2133988 Nc1cc(ncc1C=O)SCCc2cccc3c2cccc3 62a_100011290781_100000050503 [0,1,0,0,0,1|2,0,0]=4 667 B24R3.2133988 O=Cc1ccc(cc1O)SCCc2cccc3c2cccc3 62a_100011277552_100011290781 [0,1,0,0,0,1|2,0,0]=4 668 B24R3.2133988 O=Cc1ccc(cc1O)SCCc2cccc3c2cccc3 62a_100011290781_100011277552 [0,1,0,0,0,1|2,0,0]=4 669 B24R3.23470396 Cc1cc(cn(c1=O)C)SCCc2cccc3c2cccc3 62a_100011290781_100011830242 [0,1,0,0,0,1|2,0,0]=4 670 B24R3.23470396 Cc1cc(cn(c1=O)C)SCCc2cccc3c2cccc3 62a_100011830242_100011290781 [0,1,0,0,0,1|2,0,0]=4 671 B24R3.23470396 Cc1cc(nn(c1=O)C)SCCc2cccc3c2cccc3 62a_100010988966_100011290781 [0,1,0,0,0,1|1,0,0]=3 672 B24R3.23470396 Cc1cc(nn(c1=O)C)SCCc2cccc3c2cccc3 62a_100011290781_100010988966 [0,1,0,0,0,1|1,0,0]=3 673 B24R3.23470396 Cn1cc(cc(c1=O)F)SCCc2cccc3c2cccc3 62a_100010749421_100011290781 [0,1,0,0,0,1|2,0,0]=4 674 B24R3.23470396 Cn1cc(cc(c1=O)F)SCCc2cccc3c2cccc3 62a_100011290781_100010749421 [0,1,0,0,0,1|2,0,0]=4 675 B24R3.23470396 Cn1cc(cc(c1=O)N)SCCc2cccc3c2cccc3 62a_100011290781_106446545582 [0,1,0,0,0,1|2,0,0]=4 676 B24R3.23470396 Cn1cc(cc(c1=O)N)SCCc2cccc3c2cccc3 62a_106446545582_100011290781 [0,1,0,0,0,1|2,0,0]=4 677 B24R3.37539346 O=c1[nH]cc(cc1Cl)CNCc2ccc(c3c2cccc3)Br 207a_100016995114_100000051075 [0,1,0,0,0,1|2,0,0]=4 678 B24R3.37539346 O=c1[nH]cc(cc1Cl)CNCc2ccc(c3c2cccc3)Br 270004a_100016995114_100000051075 [0,1,0,0,0,1|2,0,0]=4 679 B24R3.2133842 COc1cc(ncc1C=O)SCc2cccc3c2cccc3 62a_100009846838_100000188474 [0,2,0,0,0,0|2,0,0]=4 680 B24R3.2133842 COc1cc(ncc1C=O)SCc2cccc3c2cccc3 62a_100011261445_100009846838 [0,2,0,0,0,0|2,0,0]=4 681 B24R3.5874393 COc1cc(c[nH]c1=O)SCc2c(ccc3c2cccc3)C 62a_100000689653_100010125397 [0,2,0,0,0,0|2,0,0]=4 682 B24R3.69808646 COc1cc(c[nH]c1=O)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100010125397 [0,2,0,0,0,0|2,0,0]=4 683 B24R3.69808646 COc1cc(c[nH]c1=O)SCc2ccc(c3c2cccc3)C 62a_100012073487_100010125397 [0,2,0,0,0,0|2,0,0]=4 684 B24R3.69808646 COc1cc(c[nH]c1=O)SCc2ccc(c3c2cccc3)F 62a_100011988723_100010125397 [0,2,0,0,0,0|2,0,0]=4 685 B24R3.279176 Cc1ccc2ccccc2c1CSc3cc(c(=O)n(n3)C)C 62a_100000689653_100010988966 [0,2,0,0,0,0|2,0,0]=4 686 B24R3.279176 Cc1ccc2ccccc2c1CSc3cc(c(=O)n(n3)C)C 62a_100010988966_100000689653 [0,2,0,0,0,0|2,0,0]=4 687 B24R3.25209560 Cc1cc(nn(c1=O)C)SCc2ccc(c3c2cccc3)Br 62a_100010988966_100012352185 [0,2,0,0,0,0|2,0,0]=4 688 B24R3.25209560 Cc1cc(nn(c1=O)C)SCc2ccc(c3c2cccc3)Br 62a_100012352185_100010988966 [0,2,0,0,0,0|2,0,0]=4 689 B24R3.25209560 Cc1cc(nn(c1=O)C)SCc2ccc(c3c2cccc3)C 62a_100010988966_100012073487 [0,2,0,0,0,0|2,0,0]=4 690 B24R3.25209560 Cc1cc(nn(c1=O)C)SCc2ccc(c3c2cccc3)C 62a_100012073487_100010988966 [0,2,0,0,0,0|2,0,0]=4 691 B24R3.25209560 Cc1cc(nn(c1=O)C)SCc2ccc(c3c2cccc3)F 62a_100010988966_100011988723 [0,2,0,0,0,0|2,0,0]=4 692 B24R3.25209560 Cc1cc(nn(c1=O)C)SCc2ccc(c3c2cccc3)F 62a_100011988723_100010988966 [0,2,0,0,0,0|2,0,0]=4 693 B22R3.1010764 Cc1cc(n[nH]c1=O)SCc2ccc3ccccc3c2 62a_100011216711_100012187101 [0,0,1,1,0,0|2,0,0]=4 694 B22R3.1010764 Nc1cc(n[nH]c1=O)SCc2ccc3ccccc3c2 62a_100011216711_100000102183 [0,0,1,1,0,0|2,0,0]=4 695 B22R3.1010764 O=c1[nH]cc(cc1O)SCc2ccc3ccccc3c2 62a_100011216711_100009814561 [0,0,1,1,0,0|2,0,0]=4 696 B20R3.153 O=c1ccc(c[nH]1)Sc2cccc3c2cccc3 62a_100000212171_100000210605 [1,0,0,0,1,0|2,0,0]=4 697 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2cccc3 62a_100009820020_100000210605 [1,0,0,0,1,0|1,0,0]=3 698 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2cccn3 62a_100009820020_100011290932 [1,0,0,0,1,0|2,0,0]=4 699 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2cccn3 62a_100011290932_100009820020 [1,0,0,0,1,0|2,0,0]=4 700 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2ccnc3 62a_100000186358_100009820020 [1,0,0,0,1,0|2,0,0]=4 701 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2ccnc3 62a_100009820020_100000186358 [1,0,0,0,1,0|2,0,0]=4 702 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2cncc3 62a_100000685578_100009820020 [1,0,0,0,1,0|2,0,0]=4 703 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2cncc3 62a_100009820020_100000685578 [1,0,0,0,1,0|2,0,0]=4 704 B20R3.153 O=c1ccc(n[nH]1)Sc2cccc3c2nccc3 62a_100009820020_100011215545 [1,0,0,0,1,0|2,0,0]=4 705 B20R3.153 O=c1ccc(n[nH]1)Sc2ccnc3c2cccc3 62a_100009820020_100011215880 [1,0,0,0,1,0|2,0,0]=4 706 B20R3.153 O=c1ccc(n[nH]1)Sc2ccnc3c2cccc3 62a_100011458314_100009820020 [1,0,0,0,1,0|2,0,0]=4 707 B20R3.153 O=c1ccc(n[nH]1)Sc2cncc3c2cccc3 62a_100000187577_100009820020 [1,0,0,0,1,0|2,0,0]=4 708 B20R3.153 O=c1ccc(n[nH]1)Sc2cncc3c2cccc3 62a_100009820020_100000187577 [1,0,0,0,1,0|2,0,0]=4 709 B20R3.153 O=c1ccc(n[nH]1)Sc2nccc3c2cccc3 62a_100009820020_100011934041 [1,0,0,0,1,0|2,0,0]=4 710 B20R3.153 O=c1ccc(n[nH]1)Sc2nccc3c2cccc3 62a_100011934041_100009820020 [1,0,0,0,1,0|2,0,0]=4 711 B20R3.644 O=c1ccc(n[nH]1)SCc2csc3c2cccc3 62a_100009820020_200000742921 [1,0,0,0,1,0|2,0,0]=4 712 B20R3.644 O=c1ccc(n[nH]1)SCc2csc3c2cccc3 62a_200000742921_100009820020 [1,0,0,0,1,0|2,0,0]=4 713 B20R3.5155 Cc1cc(n[nH]1)SCc2cccc3c2cccc3 62a_100009819999_100000188474 [1,0,0,0,1,0|2,0,0]=4 714 B20R3.5155 Cc1cc(n[nH]1)SCc2cccc3c2cccc3 62a_100011261445_100009819999 [1,0,0,0,1,0|2,0,0]=4 715 B20R3.5155 Nc1cc(n[nH]1)SCc2cccc3c2cccc3 62a_100009822546_100000188474 [1,0,0,0,1,0|2,0,0]=4 716 B20R3.5155 Nc1cc(n[nH]1)SCc2cccc3c2cccc3 62a_100011261445_100009822546 [1,0,0,0,1,0|2,0,0]=4 717 B20R3.5155 O=c1[nH]nc([nH]1)COc2cccc3c2cccc3 7a_100000210388_100000754189 [1,0,0,0,1,0|2,0,0]=4 718 B20R3.19885 O=c1ccc(n[nH]1)CNc2cccc3c2[nH]cc3 207a_100000685717_100011361533 [1,0,0,0,1,0|2,0,0]=4 719 B20R3.19885 O=c1ccc(n[nH]1)CNc2cccc3c2cc[nH]3 207a_100011218720_100011361533 [1,0,0,0,1,0|2,0,0]=4 720 B20R3.19885 O=c1ccc(n[nH]1)CNc2cccc3c2ccs3 207a_100020628958_100011361533 [1,0,0,0,1,0|2,0,0]=4 721 B20R3.19885 O=c1ccc(n[nH]1)SCc2cccc3c2scc3 62a_100009820020_100009816938 [1,0,0,0,1,0|2,0,0]=4 722 B20R3.418 Brc1c[nH]nc1SCc2cccc3c2cccc3 62a_100011261445_100015839836 [1,0,0,0,1,0|2,0,0]=4 723 B20R3.418 Brc1c[nH]nc1SCc2cccc3c2cccc3 62a_100015839836_100000188474 [1,0,0,0,1,0|2,0,0]=4 724 B20R3.418 Cc1c[nH]nc1SCc2cccc3c2cccc3 62a_100009871783_100000188474 [1,0,0,0,1,0|2,0,0]=4 725 B20R3.418 Cc1c[nH]nc1SCc2cccc3c2cccc3 62a_100011261445_100009871783 [1,0,0,0,1,0|2,0,0]=4 726 B20R3.418 Clc1c[nH]nc1CNc2cccc3c2cccc3 207a_100000185869_100000040271 [1,0,0,0,1,0|2,0,0]=4 727 B20R3.418 Nc1c[nH]nc1SCc2cccc3c2cccc3 62a_100010894806_100000188474 [1,0,0,0,1,0|2,0,0]=4 728 B20R3.418 Nc1c[nH]nc1SCc2cccc3c2cccc3 62a_100011261445_100010894806 [1,0,0,0,1,0|2,0,0]=4 729 B20R3.19261 Cc1cc(n[nH]c1=O)c2cccc3c2cccc3 271570a_100000693802_100012187101 [0,0,0,0,2,0|1,0,0]=3 730 B20R3.19261 Cc1cc(n[nH]c1=O)c2cccc3c2cccn3 271570a_100012617998_100012187101 [0,0,0,0,2,0|2,0,0]=4 731 B20R3.19261 Cc1cc(n[nH]c1=O)c2cccc3c2ccnc3 271570a_100011345432_100012187101 [0,0,0,0,2,0|2,0,0]=4 732 B20R3.19261 Cc1cc(n[nH]c1=O)c2cccc3c2cncc3 271570a_100012360459_100012187101 [0,0,0,0,2,0|2,0,0]=4 733 B20R3.19261 Cc1cc(n[nH]c1=O)c2cccc3c2nccc3 271570a_100011217423_100012187101 [0,0,0,0,2,0|2,0,0]=4 734 B20R3.19261 Cc1cc(n[nH]c1=O)c2ccnc3c2cccc3 271570a_100010158573_100012187101 [0,0,0,0,2,0|2,0,0]=4 735 B20R3.19261 Cc1cc(n[nH]c1=O)c2cncc3c2cccc3 271570a_100012350599_100012187101 [0,0,0,0,2,0|2,0,0]=4 736 B20R3.19261 Cc1cnc(cc1O)c2cccc3c2cccc3 271570a_100000693802_100000704368 [0,0,0,0,2,0|2,0,0]=4 737 B20R3.19261 Nc1cc(n[nH]c1=O)c2cccc3c2cccc3 271570a_100000693802_100000102183 [0,0,0,0,2,0|1,0,0]=3 738 B20R3.19261 Nc1cc(n[nH]c1=O)c2cccc3c2cccn3 271570a_100012617998_100000102183 [0,0,0,0,2,0|2,0,0]=4 739 B20R3.19261 Nc1cc(n[nH]c1=O)c2cccc3c2ccnc3 271570a_100011345432_100000102183 [0,0,0,0,2,0|2,0,0]=4 740 B20R3.19261 Nc1cc(n[nH]c1=O)c2cccc3c2cncc3 271570a_100012360459_100000102183 [0,0,0,0,2,0|2,0,0]=4 741 B20R3.19261 Nc1cc(n[nH]c1=O)c2cccc3c2nccc3 271570a_100011217423_100000102183 [0,0,0,0,2,0|2,0,0]=4 742 B20R3.19261 Nc1cc(n[nH]c1=O)c2ccnc3c2cccc3 271570a_100010158573_100000102183 [0,0,0,0,2,0|2,0,0]=4 743 B20R3.19261 Nc1cc(n[nH]c1=O)c2cncc3c2cccc3 271570a_100012350599_100000102183 [0,0,0,0,2,0|2,0,0]=4 744 B20R3.19261 O=c1[nH]cc(cc1Br)c2cccc3c2cccc3 271570a_100000693802_100010125443 [0,0,0,0,2,0|2,0,0]=4 745 B20R3.19261 O=c1[nH]cc(cc1F)c2cccc3c2cccc3 271570a_100000693802_100000723523 [0,0,0,0,2,0|2,0,0]=4 746 B20R3.19261 O=c1[nH]cc(cc1O)c2cccc3c2cccc3 271570a_100000693802_100009814561 [0,0,0,0,2,0|1,0,0]=3 747 B20R3.19261 O=c1[nH]cc(cc1O)c2cccc3c2cccn3 271570a_100012617998_100009814561 [0,0,0,0,2,0|2,0,0]=4 748 B20R3.19261 O=c1[nH]cc(cc1O)c2cccc3c2ccnc3 271570a_100011345432_100009814561 [0,0,0,0,2,0|2,0,0]=4 749 B20R3.19261 O=c1[nH]cc(cc1O)c2cccc3c2cncc3 271570a_100012360459_100009814561 [0,0,0,0,2,0|2,0,0]=4 750 B20R3.19261 O=c1[nH]cc(cc1O)c2cccc3c2nccc3 271570a_100011217423_100009814561 [0,0,0,0,2,0|2,0,0]=4 751 B20R3.19261 O=c1[nH]cc(cc1O)c2ccnc3c2cccc3 271570a_100010158573_100009814561 [0,0,0,0,2,0|2,0,0]=4 752 B20R3.19261 O=c1[nH]cc(cc1O)c2cncc3c2cccc3 271570a_100012350599_100009814561 [0,0,0,0,2,0|2,0,0]=4 753 B20R3.19261 Oc1cc(ncc1F)c2cccc3c2cccc3 271570a_100000693802_100009854642 [0,0,0,0,2,0|2,0,0]=4 754 B22R3.1189 Brc1ccc(nc1)CNCc2cccc3c2cccc3 207a_100000753325_100000754260 [1,0,0,0,0,1|2,0,0]=4 755 B22R3.1189 Brc1ccc(nc1)CNCc2cccc3c2cccc3 270004a_100000753325_100000754260 [1,0,0,0,0,1|2,0,0]=4 756 B22R3.1189 Brc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100000753325_100000702658 [1,0,0,0,0,1|2,0,0]=4 757 B22R3.1189 Brc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100015188789_100011261445 [1,0,0,0,0,1|2,0,0]=4 758 B22R3.1189 Brc1ccc(nc1)COCc2cccc3c2cccc3 34a_100000754261_100011261445 [1,0,0,0,0,1|2,0,0]=4 759 B22R3.1189 Brc1ccc(nc1)COCc2cccc3c2cccc3 34a_100011216843_100000702658 [1,0,0,0,0,1|2,0,0]=4 760 B22R3.1189 Brc1ccc(nc1)COCc2cccc3c2cccc3 7a_100011216843_100000702658 [1,0,0,0,0,1|2,0,0]=4 761 B22R3.1189 Brc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100000702658_100000188474 [1,0,0,0,0,1|2,0,0]=4 762 B22R3.1189 Brc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100011261445_100000702658 [1,0,0,0,0,1|2,0,0]=4 763 B22R3.1189 Brc1ccc(nc1)NCCc2cccc3c2cccc3 27a_100000751862_100000686858 [1,0,0,0,0,1|2,0,0]=4 764 B22R3.1189 Brc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100000686858_100011290781 [1,0,0,0,0,1|2,0,0]=4 765 B22R3.1189 Brc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011290781_100000686858 [1,0,0,0,0,1|2,0,0]=4 766 B22R3.1189 Cc1ccc(nc1)CNCc2cccc3c2cccc3 207a_100000753325_100000050478 [1,0,0,0,0,1|2,0,0]=4 767 B22R3.1189 Cc1ccc(nc1)CNCc2cccc3c2cccc3 270004a_100000753325_100000050478 [1,0,0,0,0,1|2,0,0]=4 768 B22R3.1189 Cc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100000753325_100000691093 [1,0,0,0,0,1|2,0,0]=4 769 B22R3.1189 Cc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100015187455_100011261445 [1,0,0,0,0,1|2,0,0]=4 770 B22R3.1189 Cc1ccc(nc1)COCc2cccc3c2cccc3 34a_100011216843_100000691093 [1,0,0,0,0,1|2,0,0]=4 771 B22R3.1189 Cc1ccc(nc1)COCc2cccc3c2cccc3 34a_100012001401_100011261445 [1,0,0,0,0,1|2,0,0]=4 772 B22R3.1189 Cc1ccc(nc1)COCc2cccc3c2cccc3 7a_100011216843_100000691093 [1,0,0,0,0,1|2,0,0]=4 773 B22R3.1189 Cc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100000691093_100000188474 [1,0,0,0,0,1|2,0,0]=4 774 B22R3.1189 Cc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100011261445_100000691093 [1,0,0,0,0,1|2,0,0]=4 775 B22R3.1189 Cc1ccc(nc1)OCCc2cccc3c2cccc3 34a_100000759353_100011290781 [1,0,0,0,0,1|2,0,0]=4 776 B22R3.1189 Cc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011192072_100011290781 [1,0,0,0,0,1|2,0,0]=4 777 B22R3.1189 Cc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011290781_100000754016 [1,0,0,0,0,1|2,0,0]=4 778 B22R3.1189 Cc1ccc(nn1)NCCc2cccc3c2cccc3 27a_100000751862_100000744512 [1,0,0,0,0,1|1,0,1]=4 779 B22R3.1189 Cc1ccc(nn1)SCCc2cccc3c2cccc3 62a_100000744512_100011290781 [1,0,0,0,0,1|1,0,1]=4 780 B22R3.1189 Cc1ccc(nn1)SCCc2cccc3c2cccc3 62a_100011290781_100000744512 [1,0,0,0,0,1|1,0,1]=4 781 B22R3.1189 Clc1ccc(nc1)CNCc2cccc3c2cccc3 207a_100000753325_100011361569 [1,0,0,0,0,1|2,0,0]=4 782 B22R3.1189 Clc1ccc(nc1)CNCc2cccc3c2cccc3 270004a_100000697193_100000210074 [1,0,0,0,0,1|2,0,0]=4 783 B22R3.1189 Clc1ccc(nc1)CNCc2cccc3c2cccc3 270004a_100000753325_100011361569 [1,0,0,0,0,1|2,0,0]=4 784 B22R3.1189 Clc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100000697193_100011261445 [1,0,0,0,0,1|2,0,0]=4 785 B22R3.1189 Clc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100000753325_100012066911 [1,0,0,0,0,1|2,0,0]=4 786 B22R3.1189 Clc1ccc(nc1)COCc2cccc3c2cccc3 34a_100000703999_100011261445 [1,0,0,0,0,1|2,0,0]=4 787 B22R3.1189 Clc1ccc(nc1)COCc2cccc3c2cccc3 34a_100011216843_100012066911 [1,0,0,0,0,1|2,0,0]=4 788 B22R3.1189 Clc1ccc(nc1)COCc2cccc3c2cccc3 7a_100011216843_100012066911 [1,0,0,0,0,1|2,0,0]=4 789 B22R3.1189 Clc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100011261445_100000697101 [1,0,0,0,0,1|2,0,0]=4 790 B22R3.1189 Clc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100012066911_100000188474 [1,0,0,0,0,1|2,0,0]=4 791 B22R3.1189 Clc1ccc(nc1)OCCc2cccc3c2cccc3 34a_100011215309_100011290781 [1,0,0,0,0,1|2,0,0]=4 792 B22R3.1189 Clc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011290781_100011356976 [1,0,0,0,0,1|2,0,0]=4 793 B22R3.1189 Clc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011356976_100011290781 [1,0,0,0,0,1|2,0,0]=4 794 B22R3.1189 Clc1ccc(nn1)CNCc2cccc3c2cccc3 270004a_100000753325_100000044651 [1,0,0,0,0,1|1,0,1]=4 795 B22R3.1189 Clc1ccc(nn1)CNCc2cccc3c2cccc3 34a_100000753325_100016992710 [1,0,0,0,0,1|1,0,1]=4 796 B22R3.1189 Clc1ccc(nn1)COCc2cccc3c2cccc3 34a_100011216843_100016992710 [1,0,0,0,0,1|1,0,1]=4 797 B22R3.1189 Clc1ccc(nn1)COCc2cccc3c2cccc3 7a_100011216843_100016992710 [1,0,0,0,0,1|1,0,1]=4 798 B22R3.1189 Clc1ccc(nn1)CSCc2cccc3c2cccc3 62a_100011261445_100016992710 [1,0,0,0,0,1|1,0,1]=4 799 B22R3.1189 Clc1ccc(nn1)CSCc2cccc3c2cccc3 62a_100016992710_100000188474 [1,0,0,0,0,1|1,0,1]=4 800 B22R3.1189 Clc1ccc(nn1)SCCc2cccc3c2cccc3 62a_100000068654_100011290781 [1,0,0,0,0,1|1,0,1]=4 801 B22R3.1189 Clc1ccc(nn1)SCCc2cccc3c2cccc3 62a_100011290781_100000068654 [1,0,0,0,0,1|1,0,1]=4 802 B22R3.1189 Fc1ccc(nc1)CNCc2cccc3c2cccc3 207a_100000753325_100011934744 [1,0,0,0,0,1|2,0,0]=4 803 B22R3.1189 Fc1ccc(nc1)CNCc2cccc3c2cccc3 270004a_100000753325_100011934744 [1,0,0,0,0,1|2,0,0]=4 804 B22R3.1189 Fc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100000753325_100000703193 [1,0,0,0,0,1|2,0,0]=4 805 B22R3.1189 Fc1ccc(nc1)CNCc2cccc3c2cccc3 34a_100020620131_100011261445 [1,0,0,0,0,1|2,0,0]=4 806 B22R3.1189 Fc1ccc(nc1)COCc2cccc3c2cccc3 34a_100011216843_100000703193 [1,0,0,0,0,1|2,0,0]=4 807 B22R3.1189 Fc1ccc(nc1)COCc2cccc3c2cccc3 34a_100011999454_100011261445 [1,0,0,0,0,1|2,0,0]=4 808 B22R3.1189 Fc1ccc(nc1)COCc2cccc3c2cccc3 7a_100011216843_100000703193 [1,0,0,0,0,1|2,0,0]=4 809 B22R3.1189 Fc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100000703193_100000188474 [1,0,0,0,0,1|2,0,0]=4 810 B22R3.1189 Fc1ccc(nc1)CSCc2cccc3c2cccc3 62a_100011261445_100000703193 [1,0,0,0,0,1|2,0,0]=4 811 B22R3.1189 Fc1ccc(nc1)OCCc2cccc3c2cccc3 34a_100000742473_100011290781 [1,0,0,0,0,1|2,0,0]=4 812 B22R3.1189 Fc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100000744514_100011290781 [1,0,0,0,0,1|2,0,0]=4 813 B22R3.1189 Fc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011290781_100000744514 [1,0,0,0,0,1|2,0,0]=4 814 B22R3.1189 Nc1ccc(nc1)COCc2cccc3c2cccc3 34a_100011998161_100011261445 [1,0,0,0,0,1|2,0,0]=4 815 B22R3.1189 Nc1ccc(nc1)OCCc2cccc3c2cccc3 34a_100000729260_100011290781 [1,0,0,0,0,1|2,0,0]=4 816 B22R3.1189 Nc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100000737798_100011290781 [1,0,0,0,0,1|2,0,0]=4 817 B22R3.1189 Nc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011290781_100000737798 [1,0,0,0,0,1|2,0,0]=4 818 B22R3.1189 Nc1ccc(nn1)SCCc2cccc3c2cccc3 62a_100010219413_100011290781 [1,0,0,0,0,1|1,0,1]=4 819 B22R3.1189 Nc1ccc(nn1)SCCc2cccc3c2cccc3 62a_100011290781_100010219413 [1,0,0,0,0,1|1,0,1]=4 820 B22R3.1189 O=c1ccc(c[nH]1)COCc2cccc3c2cccc3 34a_100011999846_100011261445 [1,0,0,0,0,1|1,0,0]=3 821 B22R3.1189 O=c1ccc(c[nH]1)COCc2cccc3c2ccnc3 34a_100011999846_100016989825 [1,0,0,0,0,1|2,0,0]=4 822 B22R3.1189 O=c1ccc(c[nH]1)COCc2cccc3c2nccc3 34a_100011999846_100000241032 [1,0,0,0,0,1|2,0,0]=4 823 B22R3.1189 O=c1ccc(c[nH]1)COCc2ccnc3c2cccc3 34a_100011999846_100015192512 [1,0,0,0,0,1|2,0,0]=4 824 B22R3.1189 O=c1ccc(c[nH]1)COCc2nccc3c2cccc3 34a_100011999846_100000033776 [1,0,0,0,0,1|2,0,0]=4 825 B22R3.1189 O=c1ccc(c[nH]1)OCCc2cccc3c2cccc3 34a_100000075641_100011290781 [1,0,0,0,0,1|1,0,0]=3 826 B22R3.1189 O=c1ccc(c[nH]1)SCCc2cccc3c2cccc3 62a_100000212171_100011290781 [1,0,0,0,0,1|1,0,0]=3 827 B22R3.1189 O=c1ccc(c[nH]1)SCCc2cccc3c2cccc3 62a_100011290781_100000212171 [1,0,0,0,0,1|1,0,0]=3 828 B22R3.1189 O=c1ccc(n[nH]1)C=NNc2cccc3c2cccc3 4a_100000006939_100011361533 [1,0,0,0,0,1|1,0,1]=4 829 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2cccc3 207a_100000753325_100011361533 [1,0,0,0,0,1|0,0,0]=2 830 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2cccc3 270004a_100000753325_100011361533 [1,0,0,0,0,1|0,0,0]=2 831 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2cccn3 207a_100020628785_100011361533 [1,0,0,0,0,1|1,0,0]=3 832 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2cccn3 270004a_100020628785_100011361533 [1,0,0,0,0,1|1,0,0]=3 833 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2ccnc3 207a_100011757365_100011361533 [1,0,0,0,0,1|1,0,0]=3 834 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2ccnc3 270004a_100011757365_100011361533 [1,0,0,0,0,1|1,0,0]=3 835 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2nccc3 207a_100011195829_100011361533 [1,0,0,0,0,1|1,0,0]=3 836 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2nccc3 270004a_100011195829_100011361533 [1,0,0,0,0,1|1,0,0]=3 837 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2nccn3 207a_100012184304_100011361533 [1,0,0,0,0,1|2,0,0]=4 838 B22R3.1189 O=c1ccc(n[nH]1)CNCc2cccc3c2nccn3 270004a_100012184304_100011361533 [1,0,0,0,0,1|2,0,0]=4 839 B22R3.1189 O=c1ccc(n[nH]1)CNCc2ccnc3c2cccc3 207a_100015187208_100011361533 [1,0,0,0,0,1|1,0,0]=3 840 B22R3.1189 O=c1ccc(n[nH]1)CNCc2ccnc3c2cccc3 270004a_100015187208_100011361533 [1,0,0,0,0,1|1,0,0]=3 841 B22R3.1189 O=c1ccc(n[nH]1)CNCc2nccc3c2cccc3 270004a_100000735229_100011361533 [1,0,0,0,0,1|1,0,0]=3 842 B22R3.1189 O=c1ccc(n[nH]1)SCCc2cccc3c2cccc3 62a_100009820020_100011290781 [1,0,0,0,0,1|0,0,0]=2 843 B22R3.1189 O=c1ccc(n[nH]1)SCCc2cccc3c2cccc3 62a_100011290781_100009820020 [1,0,0,0,0,1|0,0,0]=2 844 B22R3.1189 O=c1ncc(c[nH]1)SCCc2cccc3c2cccc3 62a_100011290781_102495366499 [1,0,0,0,0,1|2,0,0]=4 845 B22R3.1189 O=c1ncc(c[nH]1)SCCc2cccc3c2cccc3 62a_102495366499_100011290781 [1,0,0,0,0,1|2,0,0]=4 846 B22R3.1189 Oc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100000685995_100011290781 [1,0,0,0,0,1|1,0,1]=4 847 B22R3.1189 Oc1ccc(nc1)SCCc2cccc3c2cccc3 62a_100011290781_100000744096 [1,0,0,0,0,1|1,0,1]=4 848 B22R3.31857 Brc1ccnc(c1)CNCc2cccc3c2cccc3 270004a_100000753325_100009818557 [1,0,0,0,0,1|2,0,0]=4 849 B22R3.31857 Brc1ccnc(c1)CNCc2cccc3c2cccc3 34a_100000753325_100010173614 [1,0,0,0,0,1|2,0,0]=4 850 B22R3.31857 Brc1ccnc(c1)COCc2cccc3c2cccc3 34a_100011216843_100010173614 [1,0,0,0,0,1|2,0,0]=4 851 B22R3.31857 Brc1ccnc(c1)COCc2cccc3c2cccc3 7a_100011216843_100010173614 [1,0,0,0,0,1|2,0,0]=4 852 B22R3.31857 Brc1ccnc(c1)CSCc2cccc3c2cccc3 62a_100010173614_100000188474 [1,0,0,0,0,1|2,0,0]=4 853 B22R3.31857 Brc1ccnc(c1)CSCc2cccc3c2cccc3 62a_100011261445_100010173614 [1,0,0,0,0,1|2,0,0]=4 854 B22R3.31857 Cc1ccnc(c1)CNCc2cccc3c2cccc3 207a_100000753325_100011361488 [1,0,0,0,0,1|2,0,0]=4 855 B22R3.31857 Cc1ccnc(c1)CNCc2cccc3c2cccc3 270004a_100000753325_100011361488 [1,0,0,0,0,1|2,0,0]=4 856 B22R3.31857 Cc1ccnc(c1)CNCc2cccc3c2cccc3 34a_100000753325_100000718516 [1,0,0,0,0,1|2,0,0]=4 857 B22R3.31857 Cc1ccnc(c1)COCc2cccc3c2cccc3 34a_100011216843_100000718516 [1,0,0,0,0,1|2,0,0]=4 858 B22R3.31857 Cc1ccnc(c1)COCc2cccc3c2cccc3 34a_100011998357_100011261445 [1,0,0,0,0,1|2,0,0]=4 859 B22R3.31857 Cc1ccnc(c1)COCc2cccc3c2cccc3 7a_100011216843_100000718516 [1,0,0,0,0,1|2,0,0]=4 860 B22R3.31857 Cc1ccnc(c1)CSCc2cccc3c2cccc3 62a_100000718516_100000188474 [1,0,0,0,0,1|2,0,0]=4 861 B22R3.31857 Cc1ccnc(c1)CSCc2cccc3c2cccc3 62a_100011261445_100000718516 [1,0,0,0,0,1|2,0,0]=4 862 B22R3.31857 Cc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100000750283_100011290781 [1,0,0,0,0,1|2,0,0]=4 863 B22R3.31857 Cc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100000750283 [1,0,0,0,0,1|2,0,0]=4 864 B22R3.31857 Cc1cnnc(c1)COCc2cccc3c2cccc3 34a_100016212594_100011261445 [1,0,0,0,0,1|1,0,1]=4 865 B22R3.31857 Cc1cnnc(c1)NCCc2cccc3c2cccc3 27a_100000751862_100000070100 [1,0,0,0,0,1|1,0,1]=4 866 B22R3.31857 Cc1cnnc(c1)OCCc2cccc3c2cccc3 34a_100000766097_100011290781 [1,0,0,0,0,1|1,0,1]=4 867 B22R3.31857 Cc1cnnc(c1)SCCc2cccc3c2cccc3 62a_100000070100_100011290781 [1,0,0,0,0,1|1,0,1]=4 868 B22R3.31857 Cc1cnnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100000070100 [1,0,0,0,0,1|1,0,1]=4 869 B22R3.31857 Clc1ccnc(c1)CNCc2cccc3c2cccc3 270004a_100000753325_100011998288 [1,0,0,0,0,1|2,0,0]=4 870 B22R3.31857 Clc1ccnc(c1)CNCc2cccc3c2cccc3 34a_100000753325_100016988179 [1,0,0,0,0,1|2,0,0]=4 871 B22R3.31857 Clc1ccnc(c1)COCc2cccc3c2cccc3 34a_100000748867_100011261445 [1,0,0,0,0,1|2,0,0]=4 872 B22R3.31857 Clc1ccnc(c1)COCc2cccc3c2cccc3 34a_100011216843_100016988179 [1,0,0,0,0,1|2,0,0]=4 873 B22R3.31857 Clc1ccnc(c1)COCc2cccc3c2cccc3 7a_100011216843_100016988179 [1,0,0,0,0,1|2,0,0]=4 874 B22R3.31857 Clc1ccnc(c1)CSCc2cccc3c2cccc3 62a_100011261445_100016988179 [1,0,0,0,0,1|2,0,0]=4 875 B22R3.31857 Clc1ccnc(c1)CSCc2cccc3c2cccc3 62a_100016988179_100000188474 [1,0,0,0,0,1|2,0,0]=4 876 B22R3.31857 Clc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100010167805_100011290781 [1,0,0,0,0,1|2,0,0]=4 877 B22R3.31857 Clc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100010167805 [1,0,0,0,0,1|2,0,0]=4 878 B22R3.31857 Fc1ccnc(c1)NCCc2cccc3c2cccc3 27a_100000751862_100000764206 [1,0,0,0,0,1|2,0,0]=4 879 B22R3.31857 Fc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100000764206_100011290781 [1,0,0,0,0,1|2,0,0]=4 880 B22R3.31857 Fc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100000764206 [1,0,0,0,0,1|2,0,0]=4 881 B22R3.31857 Nc1ccnc(c1)COCc2cccc3c2cccc3 34a_100000692640_100011261445 [1,0,0,0,0,1|2,0,0]=4 882 B22R3.31857 Nc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100009814236_100011290781 [1,0,0,0,0,1|2,0,0]=4 883 B22R3.31857 Nc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100009814236 [1,0,0,0,0,1|2,0,0]=4 884 B22R3.31857 Nc1cnnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100011996757 [1,0,0,0,0,1|1,0,1]=4 885 B22R3.31857 Nc1cnnc(c1)SCCc2cccc3c2cccc3 62a_100011996757_100011290781 [1,0,0,0,0,1|1,0,1]=4 886 B22R3.31857 Oc1cc(ncn1)NCCc2cccc3c2cccc3 27a_100000751862_100000765262 [1,0,0,0,0,1|2,0,0]=4 887 B22R3.31857 Oc1cc(ncn1)SCCc2cccc3c2cccc3 62a_100011290781_100000765262 [1,0,0,0,0,1|2,0,0]=4 888 B22R3.31857 Oc1cccc(c1)CNCc2cccc3c2cccc3 207a_100000743036_100000210074 [1,0,0,0,0,1|2,0,0]=4 889 B22R3.31857 Oc1cccc(c1)CNCc2cccc3c2cccc3 207a_100000753325_100000188321 [1,0,0,0,0,1|2,0,0]=4 890 B22R3.31857 Oc1cccc(c1)CNCc2cccc3c2cccc3 2230a_100000743036_100011261445 [1,0,0,0,0,1|2,0,0]=4 891 B22R3.31857 Oc1cccc(c1)CNCc2cccc3c2cccc3 270004a_100000743036_100000210074 [1,0,0,0,0,1|2,0,0]=4 892 B22R3.31857 Oc1cccc(c1)CNCc2cccc3c2cccc3 270004a_100000753325_100000188321 [1,0,0,0,0,1|2,0,0]=4 893 B22R3.31857 Oc1cccc(c1)CNCc2cccc3c2cccc3 34a_100000743036_100011261445 [1,0,0,0,0,1|2,0,0]=4 894 B22R3.31857 Oc1cccc(c1)CNCc2cccc3c2cccc3 34a_100000753325_100011660834 [1,0,0,0,0,1|2,0,0]=4 895 B22R3.31857 Oc1cccc(c1)COCc2cccc3c2cccc3 34a_100011216843_100011660834 [1,0,0,0,0,1|2,0,0]=4 896 B22R3.31857 Oc1cccc(c1)COCc2cccc3c2cccc3 7a_100011216843_100000084143 [1,0,0,0,0,1|2,0,0]=4 897 B22R3.31857 Oc1cccc(c1)CSCc2cccc3c2cccc3 62a_100011261445_100011660834 [1,0,0,0,0,1|2,0,0]=4 898 B22R3.31857 Oc1cccc(c1)CSCc2cccc3c2cccc3 62a_100011660834_100000188474 [1,0,0,0,0,1|2,0,0]=4 899 B22R3.31857 Oc1cccc(c1)NCCc2cccc3c2cccc3 34a_100000210217_100011290781 [1,0,0,0,0,1|2,0,0]=4 900 B22R3.31857 Oc1cccc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100000211634 [1,0,0,0,0,1|2,0,0]=4 901 B22R3.31857 Oc1ccnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100000762945 [1,0,0,0,0,1|1,0,0]=3 902 B22R3.31857 Oc1ccnc(n1)NCCc2cccc3c2cccc3 27a_100000751862_100011649813 [1,0,0,0,0,1|2,0,0]=4 903 B22R3.31857 Oc1ccnc(n1)SCCc2cccc3c2cccc3 62a_100011290781_100011649813 [1,0,0,0,0,1|2,0,0]=4 904 B22R3.31857 Oc1cncc(c1)CNCc2cccc3c2cccc3 207a_100000753325_100012187055 [1,0,0,0,0,1|1,0,1]=4 905 B22R3.31857 Oc1cncc(c1)CNCc2cccc3c2cccc3 270004a_100000753325_100012187055 [1,0,0,0,0,1|1,0,1]=4 906 B22R3.31857 Oc1cncc(c1)SCCc2cccc3c2cccc3 62a_100000754920_100011290781 [1,0,0,0,0,1|1,0,1]=4 907 B22R3.31857 Oc1cncc(c1)SCCc2cccc3c2cccc3 62a_100011290781_100000754920 [1,0,0,0,0,1|1,0,1]=4 908 B22R3.31857 Oc1cnnc(c1)SCCc2cccc3c2cccc3 62a_100011290781_200010734679 [1,0,0,0,0,1|0,0,1]=3 909 B24R3.89584 Cc1cc(n[nH]c1=O)SCCOc2cccc3c2cccc3 62a_100000745918_100012187101 [0,0,0,0,0,2|1,0,0]=3 910 B24R3.89584 Cc1cnc(cc1O)SCCOc2cccc3c2cccc3 62a_100000704368_100000745918 [0,0,0,0,0,2|2,0,0]=4 911 B24R3.89584 Cc1cnc(cc1O)SCCOc2cccc3c2cccc3 62a_100000745918_100000704368 [0,0,0,0,0,2|2,0,0]=4 912 B24R3.89584 Nc1cc(n[nH]c1=O)SCCOc2cccc3c2cccc3 62a_100000745918_100000102183 [0,0,0,0,0,2|1,0,0]=3 913 B24R3.89584 O=c1[nH]cc(cc1Br)SCCOc2cccc3c2cccc3 62a_100000745918_100010125443 [0,0,0,0,0,2|2,0,0]=4 914 B24R3.89584 O=c1[nH]cc(cc1Br)SCCOc2cccc3c2cccc3 62a_100010125443_100000745918 [0,0,0,0,0,2|2,0,0]=4 915 B24R3.89584 O=c1[nH]cc(cc1Cl)CNCCc2cccc3c2cccc3 207a_100000751862_100000051075 [0,0,0,0,0,2|2,0,0]=4 916 B24R3.89584 O=c1[nH]cc(cc1Cl)CNCCc2cccc3c2cccc3 270004a_100000751862_100000051075 [0,0,0,0,0,2|2,0,0]=4 917 B24R3.89584 O=c1[nH]cc(cc1F)SCCOc2cccc3c2cccc3 62a_100000723523_100000745918 [0,0,0,0,0,2|2,0,0]=4 918 B24R3.89584 O=c1[nH]cc(cc1F)SCCOc2cccc3c2cccc3 62a_100000745918_100000723523 [0,0,0,0,0,2|2,0,0]=4 919 B24R3.89584 O=c1[nH]cc(cc1O)SCCOc2cccc3c2cccc3 62a_100000745918_100009814561 [0,0,0,0,0,2|1,0,0]=3 920 B24R3.89584 Oc1cc(ncc1F)SCCOc2cccc3c2cccc3 62a_100000745918_100009854642 [0,0,0,0,0,2|2,0,0]=4 921 B24R3.89584 Oc1cc(ncc1F)SCCOc2cccc3c2cccc3 62a_100009854642_100000745918 [0,0,0,0,0,2|2,0,0]=4