0 B20R3.299095 Brc1cccc(c1)CSc2ccc3c(c2)CC=C3 62a_100000211773_200009818231 [0,0,0,0,0,0|4,0,0]=4 1 B20R3.299095 Brc1cccc(c1)CSc2ccc3c(c2)CC=C3 62a_200009818231_100000211773 [0,0,0,0,0,0|4,0,0]=4 2 B20R3.299095 Brc1cccc(c1)CSc2ccc3cc[nH]c3c2 62a_100000211773_100000743809 [0,0,0,0,0,0|3,0,0]=3 3 B20R3.299095 Brc1cccc(c1)CSc2ccc3ccoc3c2 62a_100000211773_100000759542 [0,0,0,0,0,0|4,0,0]=4 4 B20R3.299095 Brc1cccc(c1)CSc2ccc3ccsc3c2 62a_100000211773_100009888917 [0,0,0,0,0,0|4,0,0]=4 5 B20R3.299095 Brc1cccc(c1)NCc2ccc3ccsc3c2 207a_100000210019_100000112508 [0,0,0,0,0,0|4,0,0]=4 6 B20R3.299095 Brc1cccc(c1)NCc2ccc3ccsc3c2 270302a_100000210019_100000112508 [0,0,0,0,0,0|4,0,0]=4 7 B20R3.299095 Brc1cccc(n1)CSc2ccc3ccsc3c2 62a_100009889011_100009888917 [0,0,0,0,0,0|3,0,0]=3 8 B20R3.299095 Brc1cccc(n1)CSc2ccc3cscc3c2 62a_100009889011_200010760811 [0,0,0,0,0,0|4,0,0]=4 9 B20R3.299095 Brc1cccc(n1)CSc2ccc3sccc3c2 62a_100009889011_100009814439 [0,0,0,0,0,0|4,0,0]=4 10 B20R3.299095 Cc1cccc(c1)CSc2ccc3ccoc3c2 62a_100000211840_100000759542 [0,0,0,0,0,0|4,0,0]=4 11 B20R3.299095 Cc1cccc(c1)CSc2ccc3ccsc3c2 62a_100000211840_100009888917 [0,0,0,0,0,0|4,0,0]=4 12 B20R3.299095 Clc1cccc(c1)CSc2ccc3c(c2)CC=C3 62a_100000187163_200009818231 [0,0,0,0,0,0|4,0,0]=4 13 B20R3.299095 Clc1cccc(c1)CSc2ccc3c(c2)CC=C3 62a_200009818231_100000187163 [0,0,0,0,0,0|4,0,0]=4 14 B20R3.299095 Clc1cccc(c1)CSc2ccc3cc[nH]c3c2 62a_100000187163_100000743809 [0,0,0,0,0,0|3,0,0]=3 15 B20R3.299095 Clc1cccc(c1)CSc2ccc3ccoc3c2 62a_100000187163_100000759542 [0,0,0,0,0,0|4,0,0]=4 16 B20R3.299095 Clc1cccc(c1)CSc2ccc3ccsc3c2 62a_100000187163_100009888917 [0,0,0,0,0,0|4,0,0]=4 17 B20R3.299095 Clc1cccc(c1)NCc2ccc3ccsc3c2 207a_100000185859_100000112508 [0,0,0,0,0,0|4,0,0]=4 18 B20R3.299095 Clc1cccc(c1)NCc2ccc3ccsc3c2 270302a_100000185859_100000112508 [0,0,0,0,0,0|4,0,0]=4 19 B20R3.299095 Clc1cccc(n1)CSc2ccc3ccsc3c2 62a_100000086093_100009888917 [0,0,0,0,0,0|3,0,0]=3 20 B20R3.299095 Clc1cccc(n1)CSc2ccc3cscc3c2 62a_100000086093_200010760811 [0,0,0,0,0,0|4,0,0]=4 21 B20R3.299095 Clc1cccc(n1)CSc2ccc3sccc3c2 62a_100000086093_100009814439 [0,0,0,0,0,0|4,0,0]=4 22 B20R3.299095 Fc1cccc(c1)CSc2ccc3ccsc3c2 62a_100000230114_100009888917 [0,0,0,0,0,0|4,0,0]=4 23 B20R3.299095 Ic1cccc(c1)CSc2ccc3c(c2)CC=C3 62a_100011218688_200009818231 [0,0,0,0,0,0|4,0,0]=4 24 B20R3.299095 Ic1cccc(c1)CSc2ccc3c(c2)CC=C3 62a_200009818231_100011218688 [0,0,0,0,0,0|4,0,0]=4 25 B20R3.299095 Ic1cccc(c1)CSc2ccc3cc[nH]c3c2 62a_100011218688_100000743809 [0,0,0,0,0,0|3,0,0]=3 26 B20R3.299095 Ic1cccc(c1)CSc2ccc3ccoc3c2 62a_100011218688_100000759542 [0,0,0,0,0,0|4,0,0]=4 27 B20R3.299095 Ic1cccc(c1)CSc2ccc3ccsc3c2 62a_100011218688_100009888917 [0,0,0,0,0,0|4,0,0]=4 28 B20R3.299095 Ic1cccc(c1)NCc2ccc3ccsc3c2 207a_100000211102_100000112508 [0,0,0,0,0,0|4,0,0]=4 29 B20R3.299095 Ic1cccc(c1)NCc2ccc3ccsc3c2 270302a_100000211102_100000112508 [0,0,0,0,0,0|4,0,0]=4 30 B19R3.19268 c1ccc(cc1)CSc2ccc3ccsc3c2 62a_100000211182_100009888917 [1,0,0,0,0,0|3,0,0]=4 31 B21R3.140372 Brc1cc(cc(c1)CNc2ccc3cc[nH]c3c2)Br 207a_100000743810_100000719502 [0,1,0,0,0,0|3,0,0]=4 32 B21R3.140372 Brc1cc(cc(c1)CNc2ccc3cc[nH]c3c2)I 207a_100000743810_100010185649 [0,1,0,0,0,0|3,0,0]=4 33 B21R3.140372 Brc1cc(cc(c1)COc2ccc3cc[nH]c3c2)Br 34a_100000036713_100011216082 [0,1,0,0,0,0|3,0,0]=4 34 B21R3.140372 Brc1cc(cc(c1)COc2ccc3cc[nH]c3c2)I 34a_100000036713_100010146614 [0,1,0,0,0,0|3,0,0]=4 35 B21R3.140372 Brc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)Br 62a_100011216082_100000743809 [0,1,0,0,0,0|3,0,0]=4 36 B21R3.140372 Brc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)I 62a_100010146614_100000743809 [0,1,0,0,0,0|3,0,0]=4 37 B21R3.140372 Brc1cc(cc(c1)NCc2ccc3cc[nH]c3c2)Br 207a_100012047176_100011218920 [0,1,0,0,0,0|3,0,0]=4 38 B21R3.140372 Brc1cc(cc(c1)NCc2ccc3cc[nH]c3c2)Br 27a_100011912548_100009814770 [0,1,0,0,0,0|3,0,0]=4 39 B21R3.140372 Brc1cc(cc(c1)NCc2ccc3cc[nH]c3c2)I 207a_100009814763_100011218920 [0,1,0,0,0,0|3,0,0]=4 40 B21R3.140372 Cc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)Br 62a_100012348363_100000743809 [0,1,0,0,0,0|3,0,0]=4 41 B21R3.140372 Cc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)C 62a_100000181317_100000743809 [0,1,0,0,0,0|3,0,0]=4 42 B21R3.140372 Cc1cc(nc(c1)CSc2ccc3ccsc3c2)C 62a_100012357514_100009888917 [0,1,0,0,0,0|3,0,0]=4 43 B21R3.140372 Clc1cc(cc(c1)CNc2ccc3cc[nH]c3c2)Br 207a_100000743810_100011934515 [0,1,0,0,0,0|3,0,0]=4 44 B21R3.140372 Clc1cc(cc(c1)CNc2ccc3cc[nH]c3c2)Cl 207a_100000743810_100000741761 [0,1,0,0,0,0|3,0,0]=4 45 B21R3.140372 Clc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)Cl 62a_100011219208_100000743809 [0,1,0,0,0,0|3,0,0]=4 46 B21R3.140372 Clc1cc(cc(c1)NCc2ccc3cc[nH]c3c2)Br 207a_100011934539_100011218920 [0,1,0,0,0,0|3,0,0]=4 47 B21R3.140372 Clc1cc(cc(c1)NCc2ccc3cc[nH]c3c2)Cl 207a_100000210456_100011218920 [0,1,0,0,0,0|3,0,0]=4 48 B21R3.140372 Clc1cc(cc(c1)NCc2ccc3cc[nH]c3c2)I 207a_100010147676_100011218920 [0,1,0,0,0,0|3,0,0]=4 49 B21R3.140372 Fc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)Br 62a_100000766940_100000743809 [0,1,0,0,0,0|3,0,0]=4 50 B21R3.140372 Fc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)Cl 62a_100011219885_100000743809 [0,1,0,0,0,0|3,0,0]=4 51 B21R3.140372 Fc1cc(cc(c1)CSc2ccc3cc[nH]c3c2)I 62a_100010149605_100000743809 [0,1,0,0,0,0|3,0,0]=4 52 B21R3.150459 Cc1c(ccc2c1[nH]cc2)SCc3cccc(c3)Br 62a_100000211773_100009816929 [0,1,0,0,0,0|3,0,0]=4 53 B21R3.150459 Cc1c(ccc2c1[nH]cc2)SCc3cccc(c3)Cl 62a_100000187163_100009816929 [0,1,0,0,0,0|3,0,0]=4 54 B21R3.150459 Cc1c(ccc2c1[nH]cc2)SCc3cccc(c3)I 62a_100011218688_100009816929 [0,1,0,0,0,0|3,0,0]=4 55 B21R3.150459 Cc1cccc(c1)CSc2ccc3cc[nH]c3c2C 62a_100000211840_100009816929 [0,1,0,0,0,0|3,0,0]=4 56 B21R3.150460 Cn1ccc2c1cc(cc2)SCc3cccc(c3)Br 62a_100000211773_100011934912 [0,1,0,0,0,0|3,0,0]=4 57 B21R3.150460 Cn1ccc2c1cc(cc2)SCc3cccc(c3)Cl 62a_100000187163_100011934912 [0,1,0,0,0,0|3,0,0]=4 58 B21R3.150460 Cn1ccc2c1cc(cc2)SCc3cccc(c3)I 62a_100011218688_100011934912 [0,1,0,0,0,0|3,0,0]=4 59 B21R3.152175 Brc1c(cccc1COc2ccc3cc[nH]c3c2)I 34a_100000036713_100010254545 [0,1,0,0,0,0|3,0,0]=4 60 B21R3.152175 Brc1c(cccc1CSc2ccc3cc[nH]c3c2)I 62a_100010254545_100000743809 [0,1,0,0,0,0|3,0,0]=4 61 B21R3.152175 Brc1cccc(c1Br)CNc2ccc3cc[nH]c3c2 207a_100000743810_100010240334 [0,1,0,0,0,0|3,0,0]=4 62 B21R3.152175 Cc1c(cccc1CSc2ccc3cc[nH]c3c2)Br 62a_100000694682_100000743809 [0,1,0,0,0,0|3,0,0]=4 63 B21R3.152175 Cc1c(cccc1CSc2ccc3cc[nH]c3c2)Cl 62a_100012186920_100000743809 [0,1,0,0,0,0|3,0,0]=4 64 B21R3.152175 Cc1c(cccc1CSc2ccc3cc[nH]c3c2)I 62a_100010150147_100000743809 [0,1,0,0,0,0|3,0,0]=4 65 B21R3.152175 Cc1cccc(c1Br)CSc2ccc3cc[nH]c3c2 62a_200012349612_100000743809 [0,1,0,0,0,0|3,0,0]=4 66 B21R3.152175 Cc1cccc(c1C)CSc2ccc3cc[nH]c3c2 62a_100011515928_100000743809 [0,1,0,0,0,0|3,0,0]=4 67 B21R3.152175 Clc1c(cccc1CNc2ccc3cc[nH]c3c2)Br 207a_100000743810_100012362481 [0,1,0,0,0,0|3,0,0]=4 68 B21R3.152175 Clc1c(cccc1COc2ccc3cc[nH]c3c2)Br 34a_100000036713_100012349491 [0,1,0,0,0,0|3,0,0]=4 69 B21R3.152175 Clc1c(cccc1CSc2ccc3cc[nH]c3c2)Br 62a_100012349491_100000743809 [0,1,0,0,0,0|3,0,0]=4 70 B21R3.152175 Clc1c(cccc1NCc2ccc3cc[nH]c3c2)Br 207a_100000687075_100011218920 [0,1,0,0,0,0|3,0,0]=4 71 B21R3.152175 Clc1cccc(c1Br)CNc2ccc3cc[nH]c3c2 207a_100000743810_100010232083 [0,1,0,0,0,0|3,0,0]=4 72 B21R3.152175 Clc1cccc(c1Br)COc2ccc3cc[nH]c3c2 34a_100000036713_100010145525 [0,1,0,0,0,0|3,0,0]=4 73 B21R3.152175 Clc1cccc(c1Br)CSc2ccc3cc[nH]c3c2 62a_100010145525_100000743809 [0,1,0,0,0,0|3,0,0]=4 74 B21R3.152175 Clc1cccc(c1Cl)CNc2ccc3cc[nH]c3c2 207a_100000743810_100000210504 [0,1,0,0,0,0|3,0,0]=4 75 B21R3.152175 Clc1cccc(c1Cl)COc2ccc3cc[nH]c3c2 34a_100000036713_100000723366 [0,1,0,0,0,0|3,0,0]=4 76 B21R3.152175 Clc1cccc(c1Cl)CSc2ccc3cc[nH]c3c2 62a_100000720918_100000743809 [0,1,0,0,0,0|3,0,0]=4 77 B21R3.152175 Fc1c(cccc1CSc2ccc3cc[nH]c3c2)Br 62a_100012356506_100000743809 [0,1,0,0,0,0|3,0,0]=4 78 B21R3.152175 Fc1c(cccc1CSc2ccc3cc[nH]c3c2)Cl 62a_100000716733_100000743809 [0,1,0,0,0,0|3,0,0]=4 79 B21R3.152175 Fc1cccc(c1Br)CSc2ccc3cc[nH]c3c2 62a_100012351116_100000743809 [0,1,0,0,0,0|3,0,0]=4 80 B21R3.152175 Fc1cccc(c1Cl)CSc2ccc3cc[nH]c3c2 62a_100000696688_100000743809 [0,1,0,0,0,0|3,0,0]=4 81 B21R3.152175 Fc1cccc(c1I)CSc2ccc3cc[nH]c3c2 62a_100010149603_100000743809 [0,1,0,0,0,0|3,0,0]=4 82 B21R3.165554 Brc1ccc(c(c1)CNc2ccc3cc[nH]c3c2)Br 207a_100000743810_100011266429 [0,1,0,0,0,0|3,0,0]=4 83 B21R3.165554 Brc1ccc(c(c1)CNc2ccc3cc[nH]c3c2)I 207a_100000743810_100010185651 [0,1,0,0,0,0|3,0,0]=4 84 B21R3.165554 Brc1ccc(c(c1)COc2ccc3cc[nH]c3c2)Br 34a_100000036713_100011982794 [0,1,0,0,0,0|3,0,0]=4 85 B21R3.165554 Brc1ccc(c(c1)COc2ccc3cc[nH]c3c2)I 34a_100000036713_100012362523 [0,1,0,0,0,0|3,0,0]=4 86 B21R3.165554 Brc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)Br 62a_100011982794_100000743809 [0,1,0,0,0,0|3,0,0]=4 87 B21R3.165554 Brc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)I 62a_100012362523_100000743809 [0,1,0,0,0,0|3,0,0]=4 88 B21R3.165554 Brc1ccc(cc1CNc2ccc3cc[nH]c3c2)I 207a_100000743810_100010185652 [0,1,0,0,0,0|3,0,0]=4 89 B21R3.165554 Brc1ccc(cc1COc2ccc3cc[nH]c3c2)I 34a_100000036713_100012355412 [0,1,0,0,0,0|3,0,0]=4 90 B21R3.165554 Brc1ccc(cc1CSc2ccc3cc[nH]c3c2)I 62a_100012355412_100000743809 [0,1,0,0,0,0|3,0,0]=4 91 B21R3.165554 Cc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)C 62a_100000184699_100000743809 [0,1,0,0,0,0|3,0,0]=4 92 B21R3.165554 Cc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)Cl 62a_100009871730_100000743809 [0,1,0,0,0,0|3,0,0]=4 93 B21R3.165554 Cc1ccc(c(n1)CSc2ccc3ccoc3c2)Cl 62a_200009852033_100000759542 [0,1,0,0,0,0|3,0,0]=4 94 B21R3.165554 Cc1ccc(c(n1)CSc2ccc3ccsc3c2)Cl 62a_200009852033_100009888917 [0,1,0,0,0,0|3,0,0]=4 95 B21R3.165554 Cc1ccc(cc1CSc2ccc3cc[nH]c3c2)Cl 62a_100012186985_100000743809 [0,1,0,0,0,0|3,0,0]=4 96 B21R3.165554 Clc1ccc(c(c1)CNc2ccc3cc[nH]c3c2)Br 207a_100000743810_100000746314 [0,1,0,0,0,0|3,0,0]=4 97 B21R3.165554 Clc1ccc(c(c1)CNc2ccc3cc[nH]c3c2)Cl 207a_100000743810_100000746308 [0,1,0,0,0,0|3,0,0]=4 98 B21R3.165554 Clc1ccc(c(c1)CNc2ccc3cc[nH]c3c2)I 207a_100000743810_100010254386 [0,1,0,0,0,0|3,0,0]=4 99 B21R3.165554 Clc1ccc(c(c1)COc2ccc3cc[nH]c3c2)Br 34a_100000036713_100000733903 [0,1,0,0,0,0|3,0,0]=4 100 B21R3.165554 Clc1ccc(c(c1)COc2ccc3cc[nH]c3c2)Cl 34a_100000036713_100000756322 [0,1,0,0,0,0|3,0,0]=4 101 B21R3.165554 Clc1ccc(c(c1)COc2ccc3cc[nH]c3c2)I 34a_100000036713_100012348826 [0,1,0,0,0,0|3,0,0]=4 102 B21R3.165554 Clc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)Br 62a_100000733903_100000743809 [0,1,0,0,0,0|3,0,0]=4 103 B21R3.165554 Clc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)Cl 62a_100000756322_100000743809 [0,1,0,0,0,0|3,0,0]=4 104 B21R3.165554 Clc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)I 62a_100012348826_100000743809 [0,1,0,0,0,0|3,0,0]=4 105 B21R3.165554 Clc1ccc(c(n1)CSc2ccc3c(c2)CC=C3)Cl 62a_100000059412_200009818231 [0,1,0,0,0,0|3,0,0]=4 106 B21R3.165554 Clc1ccc(c(n1)CSc2ccc3c(c2)CC=C3)Cl 62a_200009818231_100000059412 [0,1,0,0,0,0|3,0,0]=4 107 B21R3.165554 Clc1ccc(c(n1)CSc2ccc3cc[nH]c3c2)Cl 62a_100000059412_100000743809 [0,1,0,0,0,0|2,0,0]=3 108 B21R3.165554 Clc1ccc(c(n1)CSc2ccc3ccoc3c2)Cl 62a_100000059412_100000759542 [0,1,0,0,0,0|3,0,0]=4 109 B21R3.165554 Clc1ccc(c(n1)CSc2ccc3ccsc3c2)Cl 62a_100000059412_100009888917 [0,1,0,0,0,0|3,0,0]=4 110 B21R3.165554 Clc1ccc(cc1CNc2ccc3cc[nH]c3c2)Br 207a_100000743810_100000746309 [0,1,0,0,0,0|3,0,0]=4 111 B21R3.165554 Clc1ccc(cc1CNc2ccc3cc[nH]c3c2)I 207a_100000743810_100010254384 [0,1,0,0,0,0|3,0,0]=4 112 B21R3.165554 Clc1ccc(cc1COc2ccc3cc[nH]c3c2)Br 34a_100000036713_100000763347 [0,1,0,0,0,0|3,0,0]=4 113 B21R3.165554 Clc1ccc(cc1COc2ccc3cc[nH]c3c2)I 34a_100000036713_100010188191 [0,1,0,0,0,0|3,0,0]=4 114 B21R3.165554 Clc1ccc(cc1CSc2ccc3cc[nH]c3c2)Br 62a_100000763347_100000743809 [0,1,0,0,0,0|3,0,0]=4 115 B21R3.165554 Clc1ccc(cc1CSc2ccc3cc[nH]c3c2)I 62a_100010188191_100000743809 [0,1,0,0,0,0|3,0,0]=4 116 B21R3.165554 Fc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)Br 62a_100000736370_100000743809 [0,1,0,0,0,0|3,0,0]=4 117 B21R3.165554 Fc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)Cl 62a_100000709952_100000743809 [0,1,0,0,0,0|3,0,0]=4 118 B21R3.165554 Fc1ccc(c(c1)CSc2ccc3cc[nH]c3c2)I 62a_100010149606_100000743809 [0,1,0,0,0,0|3,0,0]=4 119 B21R3.165554 Fc1ccc(cc1CSc2ccc3cc[nH]c3c2)Br 62a_100000736399_100000743809 [0,1,0,0,0,0|3,0,0]=4 120 B21R3.165554 Fc1ccc(cc1CSc2ccc3cc[nH]c3c2)Cl 62a_100000716957_100000743809 [0,1,0,0,0,0|3,0,0]=4 121 B21R3.165554 Fc1ccc(cc1CSc2ccc3cc[nH]c3c2)I 62a_200010149601_100000743809 [0,1,0,0,0,0|3,0,0]=4 122 B21R3.165554 Fc1ccc(nc1CSc2ccc3ccoc3c2)Br 62a_100010065826_100000759542 [0,1,0,0,0,0|3,0,0]=4 123 B21R3.165554 Fc1ccc(nc1CSc2ccc3ccsc3c2)Br 62a_100010065826_100009888917 [0,1,0,0,0,0|3,0,0]=4 124 B21R3.165554 Fc1ccc(nc1CSc2ccc3ccsc3c2)Cl 62a_100009881012_100009888917 [0,1,0,0,0,0|3,0,0]=4 125 B21R3.469429 Brc1cc(cc2c1cc[nH]2)NCc3cccc(c3)I 207a_100010006569_100000014684 [0,1,0,0,0,0|3,0,0]=4 126 B21R3.469429 Brc1cc(cc2c1cc[nH]2)NCc3cccc(c3)I 270302a_100010006569_100000014684 [0,1,0,0,0,0|3,0,0]=4 127 B21R3.469429 Brc1cc(cc2c1cc[nH]2)SCc3cccc(c3)I 62a_100009814775_100011218688 [0,1,0,0,0,0|3,0,0]=4 128 B21R3.469429 Brc1cc(cc2c1cc[nH]2)SCc3cccc(c3)I 62a_100011218688_100009814775 [0,1,0,0,0,0|3,0,0]=4 129 B21R3.469429 Brc1cccc(c1)CNc2cc(c3cc[nH]c3c2)Br 207a_100010006569_100000210085 [0,1,0,0,0,0|3,0,0]=4 130 B21R3.469429 Brc1cccc(c1)CNc2cc(c3cc[nH]c3c2)Br 270302a_100010006569_100000210085 [0,1,0,0,0,0|3,0,0]=4 131 B21R3.469429 Brc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100000211773_100009814775 [0,1,0,0,0,0|3,0,0]=4 132 B21R3.469429 Brc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000211773 [0,1,0,0,0,0|3,0,0]=4 133 B21R3.469429 Brc1cccc(n1)CSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100009889011 [0,1,0,0,0,0|2,0,0]=3 134 B21R3.469429 Brc1cccc(n1)CSc2cc(c3cc[nH]c3c2)Br 62a_100009889011_100009814775 [0,1,0,0,0,0|2,0,0]=3 135 B21R3.469429 Cc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100000211840_100009814775 [0,1,0,0,0,0|3,0,0]=4 136 B21R3.469429 Cc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000211840 [0,1,0,0,0,0|3,0,0]=4 137 B21R3.469429 Clc1cccc(c1)CNc2cc(c3cc[nH]c3c2)Br 207a_100010006569_100000210801 [0,1,0,0,0,0|3,0,0]=4 138 B21R3.469429 Clc1cccc(c1)CNc2cc(c3cc[nH]c3c2)Br 270302a_100010006569_100000210801 [0,1,0,0,0,0|3,0,0]=4 139 B21R3.469429 Clc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100000187163_100009814775 [0,1,0,0,0,0|3,0,0]=4 140 B21R3.469429 Clc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000187163 [0,1,0,0,0,0|3,0,0]=4 141 B21R3.469429 Clc1cccc(n1)CSc2cc(c3cc[nH]c3c2)Br 62a_100000086093_100009814775 [0,1,0,0,0,0|2,0,0]=3 142 B21R3.469429 Clc1cccc(n1)CSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000086093 [0,1,0,0,0,0|2,0,0]=3 143 B21R3.469429 Fc1cc(cc2c1cc[nH]2)SCc3cccc(c3)Br 62a_100000211773_100010186028 [0,1,0,0,0,0|3,0,0]=4 144 B21R3.469429 Fc1cc(cc2c1cc[nH]2)SCc3cccc(c3)Br 62a_100010186028_100000211773 [0,1,0,0,0,0|3,0,0]=4 145 B21R3.469429 Fc1cc(cc2c1cc[nH]2)SCc3cccc(c3)Cl 62a_100000187163_100010186028 [0,1,0,0,0,0|3,0,0]=4 146 B21R3.469429 Fc1cc(cc2c1cc[nH]2)SCc3cccc(c3)Cl 62a_100010186028_100000187163 [0,1,0,0,0,0|3,0,0]=4 147 B21R3.469429 Fc1cc(cc2c1cc[nH]2)SCc3cccc(c3)I 62a_100010186028_100011218688 [0,1,0,0,0,0|3,0,0]=4 148 B21R3.469429 Fc1cc(cc2c1cc[nH]2)SCc3cccc(c3)I 62a_100011218688_100010186028 [0,1,0,0,0,0|3,0,0]=4 149 B21R3.469429 Fc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100000230114_100009814775 [0,1,0,0,0,0|3,0,0]=4 150 B21R3.469429 Fc1cccc(c1)CSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000230114 [0,1,0,0,0,0|3,0,0]=4 151 B21R3.469756 Brc1cc2cc[nH]c2cc1SCc3cccc(c3)I 62a_100000703010_100011218688 [0,1,0,0,0,0|3,0,0]=4 152 B21R3.469756 Brc1cc2cc[nH]c2cc1SCc3cccc(c3)I 62a_100011218688_100000703010 [0,1,0,0,0,0|3,0,0]=4 153 B21R3.469756 Brc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000211773_100000703010 [0,1,0,0,0,0|3,0,0]=4 154 B21R3.469756 Brc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000703010_100000211773 [0,1,0,0,0,0|3,0,0]=4 155 B21R3.469756 Brc1cccc(n1)CSc2cc3[nH]ccc3cc2Br 62a_100000703010_100009889011 [0,1,0,0,0,0|2,0,0]=3 156 B21R3.469756 Brc1cccc(n1)CSc2cc3[nH]ccc3cc2Br 62a_100009889011_100000703010 [0,1,0,0,0,0|2,0,0]=3 157 B21R3.469756 Cc1cc2cc[nH]c2cc1SCc3cccc(c3)Br 62a_100000211773_100010199660 [0,1,0,0,0,0|3,0,0]=4 158 B21R3.469756 Cc1cc2cc[nH]c2cc1SCc3cccc(c3)Cl 62a_100000187163_100010199660 [0,1,0,0,0,0|3,0,0]=4 159 B21R3.469756 Cc1cc2cc[nH]c2cc1SCc3cccc(c3)I 62a_100011218688_100010199660 [0,1,0,0,0,0|3,0,0]=4 160 B21R3.469756 Cc1cc2ccsc2cc1SCc3cccc(n3)Br 62a_100009889011_100010762285 [0,1,0,0,0,0|3,0,0]=4 161 B21R3.469756 Cc1cc2ccsc2cc1SCc3cccc(n3)Br 62a_100010762285_100009889011 [0,1,0,0,0,0|3,0,0]=4 162 B21R3.469756 Cc1cc2ccsc2cc1SCc3cccc(n3)Cl 62a_100000086093_100010762285 [0,1,0,0,0,0|3,0,0]=4 163 B21R3.469756 Cc1cc2ccsc2cc1SCc3cccc(n3)Cl 62a_100010762285_100000086093 [0,1,0,0,0,0|3,0,0]=4 164 B21R3.469756 Cc1cc2ccsc2cc1SCc3cccc(n3)F 62a_100009819644_100010762285 [0,1,0,0,0,0|3,0,0]=4 165 B21R3.469756 Cc1cc2ccsc2cc1SCc3cccc(n3)F 62a_100010762285_100009819644 [0,1,0,0,0,0|3,0,0]=4 166 B21R3.469756 Cc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000211840_100000703010 [0,1,0,0,0,0|3,0,0]=4 167 B21R3.469756 Cc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000703010_100000211840 [0,1,0,0,0,0|3,0,0]=4 168 B21R3.469756 Cc1cccc(c1)CSc2cc3[nH]ccc3cc2C 62a_100000211840_100010199660 [0,1,0,0,0,0|3,0,0]=4 169 B21R3.469756 Cc1cccc(n1)CSc2cc3sccc3cc2C 62a_100000757606_100010762285 [0,1,0,0,0,0|3,0,0]=4 170 B21R3.469756 Cc1cccc(n1)CSc2cc3sccc3cc2C 62a_100010762285_100000757606 [0,1,0,0,0,0|3,0,0]=4 171 B21R3.469756 Clc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000187163_100000703010 [0,1,0,0,0,0|3,0,0]=4 172 B21R3.469756 Clc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000703010_100000187163 [0,1,0,0,0,0|3,0,0]=4 173 B21R3.469756 Clc1cccc(n1)CSc2cc3[nH]ccc3cc2Br 62a_100000086093_100000703010 [0,1,0,0,0,0|2,0,0]=3 174 B21R3.469756 Clc1cccc(n1)CSc2cc3[nH]ccc3cc2Br 62a_100000703010_100000086093 [0,1,0,0,0,0|2,0,0]=3 175 B21R3.469756 Fc1cc2cc[nH]c2cc1SCc3cccc(c3)Br 62a_100000211773_100009817181 [0,1,0,0,0,0|3,0,0]=4 176 B21R3.469756 Fc1cc2cc[nH]c2cc1SCc3cccc(c3)Br 62a_100009817181_100000211773 [0,1,0,0,0,0|3,0,0]=4 177 B21R3.469756 Fc1cc2cc[nH]c2cc1SCc3cccc(c3)Cl 62a_100000187163_100009817181 [0,1,0,0,0,0|3,0,0]=4 178 B21R3.469756 Fc1cc2cc[nH]c2cc1SCc3cccc(c3)Cl 62a_100009817181_100000187163 [0,1,0,0,0,0|3,0,0]=4 179 B21R3.469756 Fc1cc2cc[nH]c2cc1SCc3cccc(c3)I 62a_100009817181_100011218688 [0,1,0,0,0,0|3,0,0]=4 180 B21R3.469756 Fc1cc2cc[nH]c2cc1SCc3cccc(c3)I 62a_100011218688_100009817181 [0,1,0,0,0,0|3,0,0]=4 181 B21R3.469756 Fc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000230114_100000703010 [0,1,0,0,0,0|3,0,0]=4 182 B21R3.469756 Fc1cccc(c1)CSc2cc3[nH]ccc3cc2Br 62a_100000703010_100000230114 [0,1,0,0,0,0|3,0,0]=4 183 B21R3.649260 Brc1cc(ccc1I)NCc2ccc3cc[nH]c3c2 207a_100000750458_100011218920 [0,1,0,0,0,0|3,0,0]=4 184 B21R3.649260 Brc1ccc(cc1Br)CNc2ccc3cc[nH]c3c2 207a_100000743810_100011215943 [0,1,0,0,0,0|3,0,0]=4 185 B21R3.649260 Brc1ccc(cc1Br)COc2ccc3cc[nH]c3c2 34a_100000036713_100012353900 [0,1,0,0,0,0|3,0,0]=4 186 B21R3.649260 Brc1ccc(cc1Br)CSc2ccc3cc[nH]c3c2 62a_100012353900_100000743809 [0,1,0,0,0,0|3,0,0]=4 187 B21R3.649260 Brc1ccc(cc1Br)NCc2ccc3cc[nH]c3c2 207a_100011306057_100011218920 [0,1,0,0,0,0|3,0,0]=4 188 B21R3.649260 Brc1ccc(cc1I)CNc2ccc3cc[nH]c3c2 207a_100000743810_100010146563 [0,1,0,0,0,0|3,0,0]=4 189 B21R3.649260 Brc1ccc(cc1I)COc2ccc3cc[nH]c3c2 34a_100000036713_100010146616 [0,1,0,0,0,0|3,0,0]=4 190 B21R3.649260 Brc1ccc(cc1I)CSc2ccc3cc[nH]c3c2 62a_100010146616_100000743809 [0,1,0,0,0,0|3,0,0]=4 191 B21R3.649260 Brc1ccc(cc1I)NCc2ccc3cc[nH]c3c2 207a_100000750459_100011218920 [0,1,0,0,0,0|3,0,0]=4 192 B21R3.649260 Cc1cc(ccc1Br)CSc2ccc3cc[nH]c3c2 62a_100000727479_100000743809 [0,1,0,0,0,0|3,0,0]=4 193 B21R3.649260 Cc1cc(ccc1Cl)CSc2ccc3cc[nH]c3c2 62a_100012184735_100000743809 [0,1,0,0,0,0|3,0,0]=4 194 B21R3.649260 Cc1ccc(cc1Br)CSc2ccc3cc[nH]c3c2 62a_100012232412_100000743809 [0,1,0,0,0,0|3,0,0]=4 195 B21R3.649260 Cc1ccc(cc1C)CSc2ccc3cc[nH]c3c2 62a_100000742320_100000743809 [0,1,0,0,0,0|3,0,0]=4 196 B21R3.649260 Cc1ccc(cc1Cl)CSc2ccc3cc[nH]c3c2 62a_100011823929_100000743809 [0,1,0,0,0,0|3,0,0]=4 197 B21R3.649260 Cc1ccc(cc1I)CSc2ccc3cc[nH]c3c2 62a_100010206137_100000743809 [0,1,0,0,0,0|3,0,0]=4 198 B21R3.649260 Clc1cc(ccc1Br)CNc2ccc3cc[nH]c3c2 207a_100000743810_100000690054 [0,1,0,0,0,0|3,0,0]=4 199 B21R3.649260 Clc1cc(ccc1Br)COc2ccc3cc[nH]c3c2 34a_100000036713_100012353895 [0,1,0,0,0,0|3,0,0]=4 200 B21R3.649260 Clc1cc(ccc1Br)CSc2ccc3cc[nH]c3c2 62a_100012353895_100000743809 [0,1,0,0,0,0|3,0,0]=4 201 B21R3.649260 Clc1cc(ccc1Br)NCc2ccc3cc[nH]c3c2 207a_100000687081_100011218920 [0,1,0,0,0,0|3,0,0]=4 202 B21R3.649260 Clc1cc(ccc1I)COc2ccc3cc[nH]c3c2 34a_100000036713_100012349665 [0,1,0,0,0,0|3,0,0]=4 203 B21R3.649260 Clc1cc(ccc1I)CSc2ccc3cc[nH]c3c2 62a_100012349665_100000743809 [0,1,0,0,0,0|3,0,0]=4 204 B21R3.649260 Clc1cc(ccc1I)NCc2ccc3cc[nH]c3c2 207a_100000761885_100011218920 [0,1,0,0,0,0|3,0,0]=4 205 B21R3.649260 Clc1ccc(cc1Br)CNc2ccc3cc[nH]c3c2 207a_100000743810_100000693810 [0,1,0,0,0,0|3,0,0]=4 206 B21R3.649260 Clc1ccc(cc1Br)COc2ccc3cc[nH]c3c2 34a_100000036713_100012353894 [0,1,0,0,0,0|3,0,0]=4 207 B21R3.649260 Clc1ccc(cc1Br)CSc2ccc3cc[nH]c3c2 62a_100012353894_100000743809 [0,1,0,0,0,0|3,0,0]=4 208 B21R3.649260 Clc1ccc(cc1Br)NCc2ccc3cc[nH]c3c2 207a_100000686031_100011218920 [0,1,0,0,0,0|3,0,0]=4 209 B21R3.649260 Clc1ccc(cc1Cl)CNc2ccc3cc[nH]c3c2 207a_100000743810_100000188533 [0,1,0,0,0,0|3,0,0]=4 210 B21R3.649260 Clc1ccc(cc1Cl)COc2ccc3cc[nH]c3c2 34a_100000036713_100000184707 [0,1,0,0,0,0|3,0,0]=4 211 B21R3.649260 Clc1ccc(cc1Cl)CSc2ccc3cc[nH]c3c2 62a_100000184707_100000743809 [0,1,0,0,0,0|3,0,0]=4 212 B21R3.649260 Clc1ccc(cc1Cl)NCc2ccc3cc[nH]c3c2 207a_100000184108_100011218920 [0,1,0,0,0,0|3,0,0]=4 213 B21R3.649260 Clc1ccc(cc1I)CNc2ccc3cc[nH]c3c2 207a_100000743810_100010209939 [0,1,0,0,0,0|3,0,0]=4 214 B21R3.649260 Clc1ccc(cc1I)NCc2ccc3cc[nH]c3c2 207a_100012360549_100011218920 [0,1,0,0,0,0|3,0,0]=4 215 B21R3.649260 Fc1cc(ccc1Br)CSc2ccc3cc[nH]c3c2 62a_100000767054_100000743809 [0,1,0,0,0,0|3,0,0]=4 216 B21R3.649260 Fc1cc(ccc1Cl)CSc2ccc3cc[nH]c3c2 62a_100000716492_100000743809 [0,1,0,0,0,0|3,0,0]=4 217 B21R3.649260 Fc1cc(ccc1I)CSc2ccc3cc[nH]c3c2 62a_100010149604_100000743809 [0,1,0,0,0,0|3,0,0]=4 218 B21R3.649260 Fc1ccc(cc1Br)CSc2ccc3cc[nH]c3c2 62a_100011206884_100000743809 [0,1,0,0,0,0|3,0,0]=4 219 B21R3.649260 Fc1ccc(cc1Cl)CSc2ccc3cc[nH]c3c2 62a_100000717365_100000743809 [0,1,0,0,0,0|3,0,0]=4 220 B21R3.649260 Fc1ccc(cc1I)CSc2ccc3cc[nH]c3c2 62a_100010188208_100000743809 [0,1,0,0,0,0|3,0,0]=4 221 B21R3.3821087 Cc1cc2ccc(cc2[nH]1)SCc3cccc(c3)Br 62a_100000211773_100010196937 [0,1,0,0,0,0|3,0,0]=4 222 B21R3.3821087 Cc1cc2ccc(cc2[nH]1)SCc3cccc(c3)Cl 62a_100000187163_100010196937 [0,1,0,0,0,0|3,0,0]=4 223 B21R3.3821087 Cc1cc2ccc(cc2[nH]1)SCc3cccc(c3)I 62a_100011218688_100010196937 [0,1,0,0,0,0|3,0,0]=4 224 B21R3.3821087 Cc1cccc(c1)CSc2ccc3cc([nH]c3c2)C 62a_100000211840_100010196937 [0,1,0,0,0,0|3,0,0]=4 225 B21R3.7442896 Cc1c[nH]c2c1ccc(c2)SCc3cccc(c3)Br 62a_100000211773_100010209589 [0,1,0,0,0,0|3,0,0]=4 226 B21R3.7442896 Cc1c[nH]c2c1ccc(c2)SCc3cccc(c3)Cl 62a_100000187163_100010209589 [0,1,0,0,0,0|3,0,0]=4 227 B21R3.7442896 Cc1c[nH]c2c1ccc(c2)SCc3cccc(c3)I 62a_100011218688_100010209589 [0,1,0,0,0,0|3,0,0]=4 228 B21R3.7442896 Cc1cccc(c1)CSc2ccc3c(c[nH]c3c2)C 62a_100000211840_100010209589 [0,1,0,0,0,0|3,0,0]=4 229 B21R3.7442896 Cc1coc2c1ccc(c2)SCc3cccc(n3)Br 62a_100009889011_100010775837 [0,1,0,0,0,0|3,0,0]=4 230 B21R3.7442896 Cc1coc2c1ccc(c2)SCc3cccc(n3)Cl 62a_100000086093_100010775837 [0,1,0,0,0,0|3,0,0]=4 231 B19R2.4311 Br/C=C/c1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_200016255901 [0,0,1,0,0,0|3,0,0]=4 232 B19R2.4311 Br/C=C/c1ccc(cc1)SCc2cccc(n2)Br 62a_200016255901_100009889011 [0,0,1,0,0,0|3,0,0]=4 233 B19R2.4311 C/C=C/c1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_100016259036 [0,0,1,0,0,0|3,0,0]=4 234 B19R2.4311 C/C=C/c1ccc(cc1)SCc2cccc(n2)Br 62a_100016259036_100009889011 [0,0,1,0,0,0|3,0,0]=4 235 B19R2.4311 C/C=C/c1ccc(cc1)SCc2cccc(n2)Cl 62a_100000086093_100016259036 [0,0,1,0,0,0|3,0,0]=4 236 B19R2.4311 C/C=C/c1ccc(cc1)SCc2cccc(n2)Cl 62a_100016259036_100000086093 [0,0,1,0,0,0|3,0,0]=4 237 B19R2.4311 Cc1cccc(n1)CSc2ccc(cc2)/C=C/Br 62a_100000757606_200016255901 [0,0,1,0,0,0|3,0,0]=4 238 B19R2.4311 Cc1cccc(n1)CSc2ccc(cc2)/C=C/Br 62a_200016255901_100000757606 [0,0,1,0,0,0|3,0,0]=4 239 B19R2.4311 Clc1cccc(n1)CSc2ccc(cc2)/C=C/Br 62a_100000086093_200016255901 [0,0,1,0,0,0|3,0,0]=4 240 B19R2.4311 Clc1cccc(n1)CSc2ccc(cc2)/C=C/Br 62a_200016255901_100000086093 [0,0,1,0,0,0|3,0,0]=4 241 B19R3.51233 Brc1ccc(s1)CSc2ccc3cc[nH]c3c2 62a_100000708592_100000743809 [0,0,0,0,1,0|3,0,0]=4 242 B19R3.51233 Clc1ccc(s1)CSc2ccc3cc[nH]c3c2 62a_100000185097_100000743809 [0,0,0,0,1,0|3,0,0]=4 243 B19R3.76908 Brc1sccc1CSc2ccc3cc[nH]c3c2 62a_100009814289_100000743809 [0,0,0,0,1,0|3,0,0]=4 244 B19R3.76908 Clc1sccc1CSc2ccc3cc[nH]c3c2 62a_100010167017_100000743809 [0,0,0,0,1,0|3,0,0]=4 245 B19R3.182323 Brc1cccc(c1)Sc2ccc3cc[nH]c3c2 62a_100000691529_100000743809 [0,0,0,0,1,0|3,0,0]=4 246 B19R3.182323 Brc1cccc(n1)Sc2ccc3ccsc3c2 62a_100000684672_100009888917 [0,0,0,0,1,0|3,0,0]=4 247 B19R3.182323 Clc1cccc(n1)Sc2ccc3ccsc3c2 62a_100000051397_100009888917 [0,0,0,0,1,0|3,0,0]=4 248 B21R3.469626 Brc1cccc(c1)CCSc2ccc3c(c2)CC=C3 62a_100011740638_200009818231 [0,0,0,0,0,1|3,0,0]=4 249 B21R3.469626 Brc1cccc(c1)CCSc2ccc3c(c2)CC=C3 62a_200009818231_100011740638 [0,0,0,0,0,1|3,0,0]=4 250 B21R3.469626 Brc1cccc(c1)CCSc2ccc3cc[nH]c3c2 62a_100011740638_100000743809 [0,0,0,0,0,1|2,0,0]=3 251 B21R3.469626 Brc1cccc(c1)CCSc2ccc3ccoc3c2 62a_100011740638_100000759542 [0,0,0,0,0,1|3,0,0]=4 252 B21R3.469626 Brc1cccc(c1)COCc2ccc3ccsc3c2 34a_100010262773_100000698116 [0,0,0,0,0,1|3,0,0]=4 253 B21R3.469626 Brc1cccc(c1)COCc2ccc3ccsc3c2 7a_100010262773_100000211773 [0,0,0,0,0,1|3,0,0]=4 254 B21R3.469626 Cc1cccc(c1)CCSc2ccc3ccoc3c2 62a_100011713685_100000759542 [0,0,0,0,0,1|3,0,0]=4 255 B21R3.469626 Cc1cccc(c1)CCSc2ccc3ccsc3c2 62a_100011713685_100009888917 [0,0,0,0,0,1|3,0,0]=4 256 B21R3.469626 Clc1cccc(c1)CCSc2ccc3c(c2)CC=C3 62a_100011713710_200009818231 [0,0,0,0,0,1|3,0,0]=4 257 B21R3.469626 Clc1cccc(c1)CCSc2ccc3c(c2)CC=C3 62a_200009818231_100011713710 [0,0,0,0,0,1|3,0,0]=4 258 B21R3.469626 Clc1cccc(c1)CCSc2ccc3cc[nH]c3c2 62a_100011713710_100000743809 [0,0,0,0,0,1|2,0,0]=3 259 B21R3.469626 Clc1cccc(c1)CCSc2ccc3ccoc3c2 62a_100011713710_100000759542 [0,0,0,0,0,1|3,0,0]=4 260 B21R3.469626 Clc1cccc(c1)CCSc2ccc3ccsc3c2 62a_100011713710_100009888917 [0,0,0,0,0,1|3,0,0]=4 261 B21R3.469626 Clc1cccc(c1)COCc2ccc3ccsc3c2 34a_100010262773_100000187163 [0,0,0,0,0,1|3,0,0]=4 262 B21R3.469626 Clc1cccc(c1)COCc2ccc3ccsc3c2 7a_100010262773_100000187163 [0,0,0,0,0,1|3,0,0]=4 263 B21R3.469626 Fc1cccc(c1)CCSc2ccc3ccsc3c2 62a_100011217235_100009888917 [0,0,0,0,0,1|3,0,0]=4 264 B21R3.469626 Ic1cccc(c1)COCc2ccc3ccsc3c2 34a_100010262773_100011218688 [0,0,0,0,0,1|3,0,0]=4 265 B21R3.469626 Ic1cccc(c1)COCc2ccc3ccsc3c2 7a_100010262773_100011218688 [0,0,0,0,0,1|3,0,0]=4 266 B21R3.469780 Brc1cccc(n1)CSc2ccc3ccccc3c2 62a_100009889011_100000233703 [0,0,0,0,0,1|3,0,0]=4 267 B21R3.469780 Brc1cccc(n1)SCc2ccc3ccccc3c2 62a_100000684672_100011216711 [0,0,0,0,0,1|3,0,0]=4 268 B21R3.469780 Brc1cccc(n1)SCc2ccc3ccccc3c2 62a_100011216711_100000684672 [0,0,0,0,0,1|3,0,0]=4 269 B21R3.469780 Clc1cccc(n1)CSc2ccc3ccccc3c2 62a_100000086093_100000233703 [0,0,0,0,0,1|3,0,0]=4 270 B21R3.469780 Clc1cccc(n1)SCc2ccc3ccccc3c2 62a_100000051397_100011216711 [0,0,0,0,0,1|3,0,0]=4 271 B21R3.469780 Clc1cccc(n1)SCc2ccc3ccccc3c2 62a_100011216711_100000051397 [0,0,0,0,0,1|3,0,0]=4 272 B20R3.404 Brc1cc2cc[nH]c2cc1SCc3ccccc3 62a_100000211182_100000703010 [1,1,0,0,0,0|2,0,0]=4 273 B20R3.404 Brc1cc2cc[nH]c2cc1SCc3ccccc3 62a_100000703010_100015291786 [1,1,0,0,0,0|2,0,0]=4 274 B20R3.16108 CC(Cc1ccc2ccsc2c1)c3ccccc3 271570a_100000062452_100009888917 [1,1,0,0,0,0|2,0,0]=4 275 B20R3.16108 CC(Sc1ccc2cc[nH]c2c1)c3ccccc3 62a_100000230085_100000743809 [1,1,0,0,0,0|2,0,0]=4 276 B20R3.20071 Brc1ccc(cc1)CSc2ccc3cc[nH]c3c2 62a_100000189115_100000743809 [1,1,0,0,0,0|2,0,0]=4 277 B20R3.20071 Brc1ccc(nc1)CSc2ccc3ccsc3c2 62a_100000702658_100009888917 [1,1,0,0,0,0|2,0,0]=4 278 B20R3.20071 Clc1ccc(cc1)CSc2ccc3cc[nH]c3c2 62a_100000187161_100000743809 [1,1,0,0,0,0|2,0,0]=4 279 B20R3.20071 Clc1ccc(nc1)CSc2ccc3ccsc3c2 62a_100012066911_100009888917 [1,1,0,0,0,0|2,0,0]=4 280 B20R3.20071 Ic1ccc(cc1)CSc2ccc3cc[nH]c3c2 62a_100000189116_100000743809 [1,1,0,0,0,0|2,0,0]=4 281 B20R3.134390 Brc1ccccc1CSc2ccc3cc[nH]c3c2 62a_100000184730_100000743809 [1,1,0,0,0,0|2,0,0]=4 282 B20R3.134390 Brc1cccnc1CSc2ccc3ccsc3c2 62a_100025702911_100009888917 [1,1,0,0,0,0|2,0,0]=4 283 B20R3.134390 Clc1ccccc1CSc2ccc3cc[nH]c3c2 62a_100000187162_100000743809 [1,1,0,0,0,0|2,0,0]=4 284 B20R3.134390 Clc1cccnc1CSc2ccc3ccsc3c2 62a_100000099807_100009888917 [1,1,0,0,0,0|2,0,0]=4 285 B20R3.134390 Ic1ccccc1CSc2ccc3cc[nH]c3c2 62a_100011216222_100000743809 [1,1,0,0,0,0|2,0,0]=4 286 B20R3.281911 Brc1cc(cc2c1cc[nH]2)SCc3ccccc3 62a_100000211182_100009814775 [1,1,0,0,0,0|2,0,0]=4 287 B20R3.281911 Brc1cc(cc2c1cc[nH]2)SCc3ccccc3 62a_100009814775_100015291786 [1,1,0,0,0,0|2,0,0]=4 288 B20R3.5455 Brc1cccc(n1)Sc2cc(c3cc[nH]c3c2)Br 62a_100000684672_100009814775 [0,1,0,0,1,0|2,0,0]=4 289 B20R3.5455 Brc1cccc(n1)Sc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000684672 [0,1,0,0,1,0|2,0,0]=4 290 B20R3.5455 Clc1cccc(n1)Sc2cc(c3cc[nH]c3c2)Br 62a_100000051397_100009814775 [0,1,0,0,1,0|2,0,0]=4 291 B20R3.5455 Clc1cccc(n1)Sc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100000051397 [0,1,0,0,1,0|2,0,0]=4 292 B20R3.298889 Brc1cccc(n1)Sc2cc3[nH]ccc3cc2Br 62a_100000684672_100000703010 [0,1,0,0,1,0|2,0,0]=4 293 B20R3.298889 Brc1cccc(n1)Sc2cc3[nH]ccc3cc2Br 62a_100000703010_100000684672 [0,1,0,0,1,0|2,0,0]=4 294 B20R3.298889 Clc1cccc(n1)Sc2cc3[nH]ccc3cc2Br 62a_100000051397_100000703010 [0,1,0,0,1,0|2,0,0]=4 295 B20R3.298889 Clc1cccc(n1)Sc2cc3[nH]ccc3cc2Br 62a_100000703010_100000051397 [0,1,0,0,1,0|2,0,0]=4 296 B22R3.222430 Clc1cc(cc(c1)CCOc2ccc3cc[nH]c3c2)Cl 34a_100000036713_100000691793 [0,1,0,0,0,1|2,0,0]=4 297 B22R3.222430 Clc1cc(cc(c1)CCSc2ccc3cc[nH]c3c2)Cl 62a_100000691793_100000743809 [0,1,0,0,0,1|2,0,0]=4 298 B22R3.239585 Cc1c(ccc2c1[nH]cc2)SCCc3cccc(c3)Br 62a_100011740638_100009816929 [0,1,0,0,0,1|2,0,0]=4 299 B22R3.239585 Cc1c(ccc2c1[nH]cc2)SCCc3cccc(c3)Cl 62a_100011713710_100009816929 [0,1,0,0,0,1|2,0,0]=4 300 B22R3.239585 Cc1cccc(c1)CCSc2ccc3cc[nH]c3c2C 62a_100011713685_100009816929 [0,1,0,0,0,1|2,0,0]=4 301 B22R3.239586 Cn1ccc2c1cc(cc2)SCCc3cccc(c3)Br 62a_100011740638_100011934912 [0,1,0,0,0,1|2,0,0]=4 302 B22R3.239586 Cn1ccc2c1cc(cc2)SCCc3cccc(c3)Cl 62a_100011713710_100011934912 [0,1,0,0,0,1|2,0,0]=4 303 B22R3.240636 Clc1cccc(c1Cl)CCOc2ccc3cc[nH]c3c2 34a_100000036713_100000723033 [0,1,0,0,0,1|2,0,0]=4 304 B22R3.240636 Clc1cccc(c1Cl)CCSc2ccc3cc[nH]c3c2 62a_100000723033_100000743809 [0,1,0,0,0,1|2,0,0]=4 305 B22R3.261938 Clc1ccc(c(n1)COCc2ccc3ccsc3c2)Cl 34a_100010262773_100000059412 [0,1,0,0,0,1|2,0,0]=4 306 B22R3.261938 Clc1ccc(c(n1)COCc2ccc3ccsc3c2)Cl 7a_100010262773_100000059412 [0,1,0,0,0,1|2,0,0]=4 307 B22R3.708934 Cc1cc2cc[nH]c2cc1SCCc3cccc(c3)Br 62a_100011740638_100010199660 [0,1,0,0,0,1|2,0,0]=4 308 B22R3.708934 Cc1cc2cc[nH]c2cc1SCCc3cccc(c3)Cl 62a_100011713710_100010199660 [0,1,0,0,0,1|2,0,0]=4 309 B22R3.708934 Cc1cccc(c1)CCSc2cc3[nH]ccc3cc2Br 62a_100000703010_100011713685 [0,1,0,0,0,1|2,0,0]=4 310 B22R3.708934 Cc1cccc(c1)CCSc2cc3[nH]ccc3cc2Br 62a_100011713685_100000703010 [0,1,0,0,0,1|2,0,0]=4 311 B22R3.708934 Cc1cccc(c1)CCSc2cc3[nH]ccc3cc2C 62a_100011713685_100010199660 [0,1,0,0,0,1|2,0,0]=4 312 B22R3.708934 Clc1cccc(c1)CCSc2cc3[nH]ccc3cc2Br 62a_100000703010_100011713710 [0,1,0,0,0,1|2,0,0]=4 313 B22R3.708934 Clc1cccc(c1)CCSc2cc3[nH]ccc3cc2Br 62a_100011713710_100000703010 [0,1,0,0,0,1|2,0,0]=4 314 B22R3.708934 Fc1cc2cc[nH]c2cc1SCCc3cccc(c3)Br 62a_100009817181_100011740638 [0,1,0,0,0,1|2,0,0]=4 315 B22R3.708934 Fc1cc2cc[nH]c2cc1SCCc3cccc(c3)Br 62a_100011740638_100009817181 [0,1,0,0,0,1|2,0,0]=4 316 B22R3.708934 Fc1cc2cc[nH]c2cc1SCCc3cccc(c3)Cl 62a_100009817181_100011713710 [0,1,0,0,0,1|2,0,0]=4 317 B22R3.708934 Fc1cc2cc[nH]c2cc1SCCc3cccc(c3)Cl 62a_100011713710_100009817181 [0,1,0,0,0,1|2,0,0]=4 318 B22R3.708934 Fc1cccc(c1)CCSc2cc3[nH]ccc3cc2Br 62a_100000703010_100011217235 [0,1,0,0,0,1|2,0,0]=4 319 B22R3.708934 Fc1cccc(c1)CCSc2cc3[nH]ccc3cc2Br 62a_100011217235_100000703010 [0,1,0,0,0,1|2,0,0]=4 320 B22R3.709141 Cc1cccc(c1)CCSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100011713685 [0,1,0,0,0,1|2,0,0]=4 321 B22R3.709141 Cc1cccc(c1)CCSc2cc(c3cc[nH]c3c2)Br 62a_100011713685_100009814775 [0,1,0,0,0,1|2,0,0]=4 322 B22R3.709141 Clc1cccc(c1)CCSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100011713710 [0,1,0,0,0,1|2,0,0]=4 323 B22R3.709141 Clc1cccc(c1)CCSc2cc(c3cc[nH]c3c2)Br 62a_100011713710_100009814775 [0,1,0,0,0,1|2,0,0]=4 324 B22R3.709141 Fc1cc(cc2c1cc[nH]2)SCCc3cccc(c3)Br 62a_100010186028_100011740638 [0,1,0,0,0,1|2,0,0]=4 325 B22R3.709141 Fc1cc(cc2c1cc[nH]2)SCCc3cccc(c3)Br 62a_100011740638_100010186028 [0,1,0,0,0,1|2,0,0]=4 326 B22R3.709141 Fc1cc(cc2c1cc[nH]2)SCCc3cccc(c3)Cl 62a_100010186028_100011713710 [0,1,0,0,0,1|2,0,0]=4 327 B22R3.709141 Fc1cc(cc2c1cc[nH]2)SCCc3cccc(c3)Cl 62a_100011713710_100010186028 [0,1,0,0,0,1|2,0,0]=4 328 B22R3.709141 Fc1cccc(c1)CCSc2cc(c3cc[nH]c3c2)Br 62a_100009814775_100011217235 [0,1,0,0,0,1|2,0,0]=4 329 B22R3.709141 Fc1cccc(c1)CCSc2cc(c3cc[nH]c3c2)Br 62a_100011217235_100009814775 [0,1,0,0,0,1|2,0,0]=4 330 B22R3.1010704 Clc1ccc(cc1Cl)CCOc2ccc3cc[nH]c3c2 34a_100000036713_100011713676 [0,1,0,0,0,1|2,0,0]=4 331 B22R3.1010704 Clc1ccc(cc1Cl)CCSc2ccc3cc[nH]c3c2 62a_100011713676_100000743809 [0,1,0,0,0,1|2,0,0]=4 332 B22R3.1010704 Fc1ccc(cc1Cl)CCSc2ccc3cc[nH]c3c2 62a_100012361305_100000743809 [0,1,0,0,0,1|2,0,0]=4 333 B22R3.1440033 Cc1c[nH]c2c1ccc(c2)SCCc3cccc(c3)Br 62a_100011740638_100010209589 [0,1,0,0,0,1|2,0,0]=4 334 B22R3.1440033 Cc1c[nH]c2c1ccc(c2)SCCc3cccc(c3)Cl 62a_100011713710_100010209589 [0,1,0,0,0,1|2,0,0]=4 335 B22R3.1440033 Cc1cccc(c1)CCSc2ccc3c(c[nH]c3c2)C 62a_100011713685_100010209589 [0,1,0,0,0,1|2,0,0]=4 336 B22R3.5453248 Cc1cc2ccc(cc2[nH]1)SCCc3cccc(c3)Br 62a_100011740638_100010196937 [0,1,0,0,0,1|2,0,0]=4 337 B22R3.5453248 Cc1cc2ccc(cc2[nH]1)SCCc3cccc(c3)Cl 62a_100011713710_100010196937 [0,1,0,0,0,1|2,0,0]=4 338 B22R3.5453248 Cc1cccc(c1)CCSc2ccc3cc([nH]c3c2)C 62a_100011713685_100010196937 [0,1,0,0,0,1|2,0,0]=4 339 B22R3.5264120 Cc1cc(nc(c1)CSc2cc(c3cc[nH]c3c2)Br)C 62a_100009814775_100012357514 [0,2,0,0,0,0|2,0,0]=4 340 B22R3.5264120 Cc1cc(nc(c1)CSc2cc(c3cc[nH]c3c2)Br)C 62a_100012357514_100009814775 [0,2,0,0,0,0|2,0,0]=4 341 B22R3.5266003 Cc1cc(nc(c1)CSc2cc3[nH]ccc3cc2Br)C 62a_100000703010_100012357514 [0,2,0,0,0,0|2,0,0]=4 342 B22R3.5266003 Cc1cc(nc(c1)CSc2cc3[nH]ccc3cc2Br)C 62a_100012357514_100000703010 [0,2,0,0,0,0|2,0,0]=4 343 B22R3.11669638 Cc1c(ccc2c1[nH]cc2)SCc3nc(ccc3Cl)Cl 62a_100000059412_100009816929 [0,2,0,0,0,0|2,0,0]=4 344 B22R3.11669638 Cc1c(ccc2c1[nH]cc2)SCc3nc(ccc3F)Br 62a_100010065826_100009816929 [0,2,0,0,0,0|2,0,0]=4 345 B22R3.11669638 Cc1ccc(c(n1)CSc2ccc3cc[nH]c3c2C)Cl 62a_200009852033_100009816929 [0,2,0,0,0,0|2,0,0]=4 346 B22R3.11669685 Cn1ccc2c1cc(cc2)SCc3nc(ccc3Cl)Cl 62a_100000059412_100011934912 [0,2,0,0,0,0|2,0,0]=4 347 B22R3.11665808 Cc1ccc(c(n1)CNc2cc(c3cc[nH]c3c2)Br)Br 207a_100010006569_100010173661 [0,2,0,0,0,0|2,0,0]=4 348 B22R3.11665808 Cc1ccc(c(n1)CSc2cc(c3cc[nH]c3c2)Br)Cl 62a_100009814775_200009852033 [0,2,0,0,0,0|2,0,0]=4 349 B22R3.11665808 Cc1ccc(c(n1)CSc2cc(c3cc[nH]c3c2)Br)Cl 62a_200009852033_100009814775 [0,2,0,0,0,0|2,0,0]=4 350 B22R3.11665808 Clc1ccc(c(n1)CSc2cc(c3cc[nH]c3c2)Br)Cl 62a_100000059412_100009814775 [0,2,0,0,0,0|2,0,0]=4 351 B22R3.11665808 Clc1ccc(c(n1)CSc2cc(c3cc[nH]c3c2)Br)Cl 62a_100009814775_100000059412 [0,2,0,0,0,0|2,0,0]=4 352 B22R3.11665808 Fc1cc(cc2c1cc[nH]2)SCc3nc(ccc3Cl)Cl 62a_100000059412_100010186028 [0,2,0,0,0,0|2,0,0]=4 353 B22R3.11665808 Fc1cc(cc2c1cc[nH]2)SCc3nc(ccc3Cl)Cl 62a_100010186028_100000059412 [0,2,0,0,0,0|2,0,0]=4 354 B22R3.11665808 Fc1ccc(nc1CSc2cc(c3cc[nH]c3c2)Br)Br 62a_100009814775_100010065826 [0,2,0,0,0,0|2,0,0]=4 355 B22R3.11665808 Fc1ccc(nc1CSc2cc(c3cc[nH]c3c2)Br)Br 62a_100010065826_100009814775 [0,2,0,0,0,0|2,0,0]=4 356 B22R3.11665808 Fc1ccc(nc1CSc2cc(c3cc[nH]c3c2)Br)Cl 62a_100009814775_100009881012 [0,2,0,0,0,0|2,0,0]=4 357 B22R3.11665808 Fc1ccc(nc1CSc2cc(c3cc[nH]c3c2)Br)Cl 62a_100009881012_100009814775 [0,2,0,0,0,0|2,0,0]=4 358 B22R3.11669473 Cc1cc2cc[nH]c2cc1SCc3nc(ccc3Cl)Cl 62a_100000059412_100010199660 [0,2,0,0,0,0|2,0,0]=4 359 B22R3.11669473 Cc1cc2cc[nH]c2cc1SCc3nc(ccc3F)Br 62a_100010065826_100010199660 [0,2,0,0,0,0|2,0,0]=4 360 B22R3.11669473 Cc1ccc(c(n1)CSc2cc3[nH]ccc3cc2Br)Cl 62a_100000703010_200009852033 [0,2,0,0,0,0|2,0,0]=4 361 B22R3.11669473 Cc1ccc(c(n1)CSc2cc3[nH]ccc3cc2Br)Cl 62a_200009852033_100000703010 [0,2,0,0,0,0|2,0,0]=4 362 B22R3.11669473 Cc1ccc(c(n1)CSc2cc3[nH]ccc3cc2C)Cl 62a_200009852033_100010199660 [0,2,0,0,0,0|2,0,0]=4 363 B22R3.11669473 Clc1ccc(c(n1)CSc2cc3[nH]ccc3cc2Br)Cl 62a_100000059412_100000703010 [0,2,0,0,0,0|2,0,0]=4 364 B22R3.11669473 Clc1ccc(c(n1)CSc2cc3[nH]ccc3cc2Br)Cl 62a_100000703010_100000059412 [0,2,0,0,0,0|2,0,0]=4 365 B22R3.11669473 Fc1cc2cc[nH]c2cc1SCc3nc(ccc3Cl)Cl 62a_100000059412_100009817181 [0,2,0,0,0,0|2,0,0]=4 366 B22R3.11669473 Fc1cc2cc[nH]c2cc1SCc3nc(ccc3Cl)Cl 62a_100009817181_100000059412 [0,2,0,0,0,0|2,0,0]=4 367 B22R3.11669473 Fc1ccc(nc1CSc2cc3[nH]ccc3cc2Br)Br 62a_100000703010_100010065826 [0,2,0,0,0,0|2,0,0]=4 368 B22R3.11669473 Fc1ccc(nc1CSc2cc3[nH]ccc3cc2Br)Br 62a_100010065826_100000703010 [0,2,0,0,0,0|2,0,0]=4 369 B22R3.11669473 Fc1ccc(nc1CSc2cc3[nH]ccc3cc2Br)Cl 62a_100000703010_100009881012 [0,2,0,0,0,0|2,0,0]=4 370 B22R3.11669473 Fc1ccc(nc1CSc2cc3[nH]ccc3cc2Br)Cl 62a_100009881012_100000703010 [0,2,0,0,0,0|2,0,0]=4 371 B22R3.11669620 Cc1c[nH]c2c1ccc(c2)SCc3nc(ccc3Cl)Cl 62a_100000059412_100010209589 [0,2,0,0,0,0|2,0,0]=4 372 B22R3.11669620 Cc1c[nH]c2c1ccc(c2)SCc3nc(ccc3F)Br 62a_100010065826_100010209589 [0,2,0,0,0,0|2,0,0]=4 373 B22R3.11669620 Cc1ccc(c(n1)CSc2ccc3c(c[nH]c3c2)C)Cl 62a_200009852033_100010209589 [0,2,0,0,0,0|2,0,0]=4 374 B22R3.11669635 Cc1cc2ccc(cc2[nH]1)SCc3nc(ccc3Cl)Cl 62a_100000059412_100010196937 [0,2,0,0,0,0|2,0,0]=4 375 B22R3.11669635 Cc1cc2ccc(cc2[nH]1)SCc3nc(ccc3F)Br 62a_100010065826_100010196937 [0,2,0,0,0,0|2,0,0]=4 376 B22R3.11669635 Cc1ccc(c(n1)CSc2ccc3cc([nH]c3c2)C)Cl 62a_200009852033_100010196937 [0,2,0,0,0,0|2,0,0]=4 377 B22R3.45676 Cc1nc(ccc1Br)CNc2cc(c3cc[nH]c3c2)Br 207a_100010006569_100010238520 [0,2,0,0,0,0|2,0,0]=4 378 B20R3.30162 c1ccc(cc1)CCSc2ccc3ccsc3c2 62a_100000765856_100009888917 [1,0,0,0,0,1|2,0,0]=4 379 B20R3.30162 c1ccc(cc1)SCSc2ccc3cc[nH]c3c2 62a_100011218342_100000743809 [1,0,0,0,0,1|2,0,0]=4 380 B22R3.238443 Brc1cccc(c1)CCCSc2ccc3cc[nH]c3c2 62a_100011713683_100000743809 [0,0,0,0,0,2|2,0,0]=4 381 B22R3.238443 Brc1cccc(c1)OCCSc2ccc3cc[nH]c3c2 62a_100000183150_100000743809 [0,0,0,0,0,2|2,0,0]=4 382 B22R3.238443 Fc1cccc(c1)CCCSc2ccc3cc[nH]c3c2 62a_200000698031_100000743809 [0,0,0,0,0,2|2,0,0]=4 383 B22R3.708960 Brc1cccc(n1)CSCc2ccc3ccccc3c2 62a_100009889011_100011216711 [0,0,0,0,0,2|2,0,0]=4 384 B22R3.708960 Brc1cccc(n1)CSCc2ccc3ccccc3c2 62a_100011216711_100009889011 [0,0,0,0,0,2|2,0,0]=4 385 B22R3.708960 Clc1cccc(n1)CSCc2ccc3ccccc3c2 62a_100000086093_100011216711 [0,0,0,0,0,2|2,0,0]=4 386 B22R3.708960 Clc1cccc(n1)CSCc2ccc3ccccc3c2 62a_100011216711_100000086093 [0,0,0,0,0,2|2,0,0]=4