0 B21R3.8413 Nc1cc2cccc(c2cn1)SCC3CCOCC3 62a_100000754603_100010201637 [1,0,0,0,0,0|3,0,0]=4 1 B21R3.8413 Nc1cc2cccc(c2cn1)SCC3CCOCC3 62a_100010201637_100000749018 [1,0,0,0,0,0|3,0,0]=4 2 B21R3.8413 Nc1ccc2c(cccc2n1)SCC3CCOCC3 62a_100000723655_100000749018 [1,0,0,0,0,0|3,0,0]=4 3 B21R3.8413 Nc1ncc2c(cccc2n1)C=CC3CCCCC3 271570a_100016283615_100010209551 [1,0,0,0,0,0|2,0,1]=4 4 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCCCC3 27a_100000210473_100010209551 [1,0,0,0,0,0|3,0,0]=4 5 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCOCC3 27a_100000746373_100010209551 [1,0,0,0,0,0|2,0,0]=3 6 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCSCC3 27a_100015188806_100010209551 [1,0,0,0,0,0|2,1,0]=4 7 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCCC3 62a_100000211423_100010209551 [1,0,0,0,0,0|3,0,0]=4 8 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCCC3 62a_100010209551_100000211423 [1,0,0,0,0,0|3,0,0]=4 9 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCOCC3 62a_100000754603_100010209551 [1,0,0,0,0,0|2,0,0]=3 10 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCOCC3 62a_100010209551_100000749018 [1,0,0,0,0,0|2,0,0]=3 11 B21R3.6679883 Brc1cccc2c1c(ccc2)COC3CCOCC3 7a_200009814114_100000686592 [1,0,0,0,0,0|3,0,0]=4 12 B21R3.6679883 Nc1nccc2c1c(ccc2)SCC3CCOCC3 62a_100010291105_100000749018 [1,0,0,0,0,0|3,0,0]=4 13 B21R3.6679883 Nc1ncnc2c1c(ccc2)C=CC3CCCCC3 271570a_100016283615_100010171649 [1,0,0,0,0,0|2,0,1]=4 14 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCCCC3 27a_100000210473_100010171649 [1,0,0,0,0,0|3,0,0]=4 15 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCOCC3 27a_100000746373_100010171649 [1,0,0,0,0,0|2,0,0]=3 16 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCSCC3 27a_100015188806_100010171649 [1,0,0,0,0,0|2,1,0]=4 17 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCC3CCCCC3 62a_100010171649_100000211423 [1,0,0,0,0,0|3,0,0]=4 18 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCC3CCOCC3 62a_100010171649_100000749018 [1,0,0,0,0,0|2,0,0]=3 19 B21R3.246729 Cc1nc(c2c(cccc2n1)NC3CCOCC3)O 27a_100000741149_200010988834 [0,0,0,0,1,0|3,0,0]=4 20 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCCCC3)N 62a_200011217714_100000210327 [0,0,0,0,1,0|1,1,0]=3 21 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCCOC3)N 62a_200011217714_100000693364 [0,0,0,0,1,0|2,1,0]=4 22 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCOCC3)N 62a_200011217714_100011324220 [0,0,0,0,1,0|0,1,0]=2 23 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCSCC3)N 62a_200011217714_100000069128 [0,0,0,0,1,0|0,2,0]=3 24 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCCC3)N 62a_200011217714_100000740388 [0,0,0,0,1,0|2,0,0]=3 25 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCCO3)N 62a_200011217714_100000203698 [0,0,0,0,1,0|3,0,0]=4 26 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCOC3)N 62a_200011217714_100000702531 [0,0,0,0,1,0|2,0,0]=3 27 B20R2.3914685 CCCC(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011216630 [1,0,1,0,0,0|2,0,0]=4 28 B20R2.10692609 CCC(CC)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215472 [1,0,1,0,0,0|2,0,0]=4 29 B20R2.5481804 CCCCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_100000062253_200011217714 [1,0,1,0,0,0|1,0,1]=4 30 B20R2.5481804 CCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210757 [1,0,1,0,0,0|1,1,0]=4 31 B20R2.5481804 CCOCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100012232248 [1,0,1,0,0,0|0,1,0]=3 32 B20R2.5481804 COCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000730899 [1,0,1,0,0,0|2,0,0]=4 33 B20R3.2720 c1cc(c2cccnc2c1)CNC3CCOCC3 207a_100000741149_100000708479 [2,0,0,0,0,0|2,0,0]=4 34 B20R3.2720 c1cc(c2cccnc2c1)CNC3CCOCC3 270004a_100000741149_100000708479 [2,0,0,0,0,0|2,0,0]=4 35 B20R3.2720 c1cc(c2cccnc2c1)CNC3CCOCC3 270004a_100020628785_100011217826 [2,0,0,0,0,0|2,0,0]=4 36 B20R3.2720 c1cc(c2cccnc2c1)COC3CCCCC3 34a_100000709871_100000210327 [2,0,0,0,0,0|2,0,0]=4 37 B20R3.2720 c1cc(c2cccnc2c1)COC3CCSCC3 34a_100000709871_100000069128 [2,0,0,0,0,0|1,1,0]=4 38 B20R3.2720 c1cc(c2cnccc2c1)CNC3CCOCC3 207a_100000741149_100011934574 [2,0,0,0,0,0|2,0,0]=4 39 B20R3.2720 c1cc(c2cnccc2c1)CNC3CCOCC3 270004a_100000741149_100011934574 [2,0,0,0,0,0|2,0,0]=4 40 B20R3.2720 c1cc(c2cncnc2c1)NCC3CCOCC3 27a_100000746373_100009814520 [2,0,0,0,0,0|2,0,0]=4 41 B20R3.2720 c1cc(c2cncnc2c1)SCC3CCOCC3 62a_100000754603_100009814520 [2,0,0,0,0,0|2,0,0]=4 42 B20R3.2720 c1cc(c2cncnc2c1)SCC3CCOCC3 62a_100009814520_100000749018 [2,0,0,0,0,0|2,0,0]=4 43 B20R3.2720 c1ccc2c(cccc2c1)COC3CCOCC3 34a_100000744328_100011261445 [2,0,0,0,0,0|2,0,0]=4 44 B20R3.2720 c1ccc2c(cccc2c1)COC3CCOCC3 7a_100011216843_100000686592 [2,0,0,0,0,0|2,0,0]=4 45 B20R2.7704683 CCCC(CC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011219200 [0,0,1,0,1,0|1,1,0]=4 46 B20R2.3767788 CCCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200011215066 [0,0,1,0,1,0|1,1,0]=4 47 B20R3.173 Nc1cc2cccc(c2cn1)SC3CCOCC3 62a_100010201637_100011324220 [1,0,0,0,1,0|1,1,0]=4 48 B20R3.173 Nc1ccc2c(cccc2n1)SC3CCOCC3 62a_100000723655_100011324220 [1,0,0,0,1,0|1,1,0]=4 49 B20R3.173 Nc1ncc2c(cccc2n1)NC3CCCCC3 27a_100000182618_100010209551 [1,0,0,0,1,0|2,0,0]=4 50 B20R3.173 Nc1ncc2c(cccc2n1)NC3CCOCC3 27a_100000741149_100010209551 [1,0,0,0,1,0|1,0,0]=3 51 B20R3.173 Nc1ncc2c(cccc2n1)NC3CCSCC3 27a_100000748639_100010209551 [1,0,0,0,1,0|1,1,0]=4 52 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCCCC3 62a_100000210327_100010209551 [1,0,0,0,1,0|1,1,0]=4 53 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCCCC3 62a_100010209551_100000210327 [1,0,0,0,1,0|1,1,0]=4 54 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCOCC3 62a_100010209551_100011324220 [1,0,0,0,1,0|0,1,0]=3 55 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCSCC3 62a_100010209551_100000069128 [1,0,0,0,1,0|0,2,0]=4 56 B20R3.5958 Nc1ncc2c(cccc2n1)NCC3CCCC3 27a_100000737975_100010209551 [1,0,0,0,1,0|2,0,0]=4 57 B20R3.5958 Nc1ncc2c(cccc2n1)NCC3CCOC3 27a_100000737293_100010209551 [1,0,0,0,1,0|2,0,0]=4 58 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCCC3 62a_100000740388_100010209551 [1,0,0,0,1,0|2,0,0]=4 59 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCCC3 62a_100010209551_100000740388 [1,0,0,0,1,0|2,0,0]=4 60 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCOC3 62a_100000702531_100010209551 [1,0,0,0,1,0|2,0,0]=4 61 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCOC3 62a_100010209551_100000702531 [1,0,0,0,1,0|2,0,0]=4 62 B20R3.247867 Nc1nccc2c1c(ccc2)SC3CCOCC3 62a_100010291105_100011324220 [1,0,0,0,1,0|1,1,0]=4 63 B20R3.247867 Nc1ncnc2c1c(ccc2)NC3CCCCC3 27a_100000182618_100010171649 [1,0,0,0,1,0|2,0,0]=4 64 B20R3.247867 Nc1ncnc2c1c(ccc2)NC3CCOCC3 27a_100000741149_100010171649 [1,0,0,0,1,0|1,0,0]=3 65 B20R3.247867 Nc1ncnc2c1c(ccc2)NC3CCSCC3 27a_100000748639_100010171649 [1,0,0,0,1,0|1,1,0]=4 66 B20R3.247867 Nc1ncnc2c1c(ccc2)SC3CCCCC3 62a_100010171649_100000210327 [1,0,0,0,1,0|1,1,0]=4 67 B20R3.247867 Nc1ncnc2c1c(ccc2)SC3CCOCC3 62a_100010171649_100011324220 [1,0,0,0,1,0|0,1,0]=3 68 B20R3.247867 Nc1ncnc2c1c(ccc2)SC3CCSCC3 62a_100010171649_100000069128 [1,0,0,0,1,0|0,2,0]=4 69 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCC3CCCC3 27a_100000737975_100010171649 [1,0,0,0,1,0|2,0,0]=4 70 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCC3CCOC3 27a_100000737293_100010171649 [1,0,0,0,1,0|2,0,0]=4 71 B20R3.4389304 Nc1ncnc2c1c(ccc2)SCC3CCCC3 62a_100010171649_100000740388 [1,0,0,0,1,0|2,0,0]=4 72 B20R3.4389304 Nc1ncnc2c1c(ccc2)SCC3CCOC3 62a_100010171649_100000702531 [1,0,0,0,1,0|2,0,0]=4 73 B20R3.8685 Nc1nc(c2c(cccc2n1)C3=CCOCC3)N 271570a_100000070234_200011217714 [0,0,0,0,2,0|0,0,2]=4 74 B20R3.3465641 Nc1nc(c2c(cccc2n1)C=C3CCCC3)N 271570a_100010378317_200011217714 [0,0,0,0,2,0|0,0,2]=4 75 B20R3.3465641 Nc1nc(c2c(cccc2n1)SC3CCCC3)N 62a_200011217714_100000179811 [0,0,0,0,2,0|0,1,0]=3 76 B20R3.3465641 Nc1nc(c2c(cccc2n1)SC3CCOC3)N 62a_200011217714_100000690089 [0,0,0,0,2,0|0,1,0]=3 77 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3CCC3)N 62a_200011217714_100000763275 [0,0,0,0,2,0|2,0,0]=4 78 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3CCO3)N 62a_200011217714_100000103362 [0,0,0,0,2,0|2,0,0]=4 79 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3COC3)N 62a_200011217714_100010264016 [0,0,0,0,2,0|2,0,0]=4