0 B22R3.380577 Cc1nc(c2c(cccc2n1)NCC3CCCCC3)O 27a_100000210473_200010988834 [0,0,0,0,0,0|4,0,0]=4 1 B22R3.380577 Cc1nc(c2c(cccc2n1)NCC3CCOCC3)O 27a_100000746373_200010988834 [0,0,0,0,0,0|3,0,0]=3 2 B22R3.380577 Cc1nc(c2c(cccc2n1)NCC3CCSCC3)O 27a_100015188806_200010988834 [0,0,0,0,0,0|3,1,0]=4 3 B22R3.380577 Cc1nc2cccc(c2c(=O)o1)NCC3CCOCC3 27a_100000746373_200010128068 [0,0,0,0,0,0|4,0,0]=4 4 B22R3.380577 Cc1nc2cccc(c2c(=O)o1)SCC3CCOCC3 62a_100000754603_200010128068 [0,0,0,0,0,0|3,1,0]=4 5 B22R3.380577 Nc1nc(c2c(cccc2n1)C=CC3CCCCC3)N 271570a_100016283615_200011217714 [0,0,0,0,0,0|2,0,1]=3 6 B22R3.380577 Nc1nc(c2c(cccc2n1)SCC3CCCCC3)N 62a_200011217714_100000211423 [0,0,0,0,0,0|1,1,0]=2 7 B22R3.380577 Nc1nc(c2c(cccc2n1)SCC3CCCCO3)N 62a_200011217714_100000211543 [0,0,0,0,0,0|2,1,0]=3 8 B22R3.380577 Nc1nc(c2c(cccc2n1)SCC3CCCOC3)N 62a_200011217714_100000741521 [0,0,0,0,0,0|2,1,0]=3 9 B22R3.380577 Nc1nc(c2c(cccc2n1)SCC3CCOCC3)N 62a_200011217714_100000749018 [0,0,0,0,0,0|0,1,0]=1 10 B21R3.8413 Brc1ccc2c(cccc2c1)OCC3CCOCC3 34a_100010202202_100000754603 [1,0,0,0,0,0|3,0,0]=4 11 B21R3.8413 Brc1ccc2c(cccc2c1)OCC3CCOCC3 7a_100010202202_100000754603 [1,0,0,0,0,0|3,0,0]=4 12 B21R3.8413 Cc1ccc2c(cccc2n1)NCC3CCOCC3 27a_100000746373_100010173736 [1,0,0,0,0,0|3,0,0]=4 13 B21R3.8413 Cc1ccc2c(cccc2n1)NCC3CCOCC3 34a_106741707140_100000754603 [1,0,0,0,0,0|3,0,0]=4 14 B21R3.8413 Cc1ccc2c(cccc2n1)SCC3CCOCC3 62a_100000754603_100010173736 [1,0,0,0,0,0|2,1,0]=4 15 B21R3.8413 Cc1ccc2c(cccc2n1)SCC3CCOCC3 62a_100010173736_100000749018 [1,0,0,0,0,0|2,1,0]=4 16 B21R3.8413 Fc1ccc2c(cccc2c1)OCC3CCOCC3 34a_100009846233_100000754603 [1,0,0,0,0,0|3,0,0]=4 17 B21R3.8413 Fc1ccc2c(cccc2c1)OCC3CCOCC3 7a_100009846233_100000754603 [1,0,0,0,0,0|3,0,0]=4 18 B21R3.8413 Nc1cc2cccc(c2cn1)SCC3CCCCC3 62a_100000211423_100010201637 [1,0,0,0,0,0|2,1,0]=4 19 B21R3.8413 Nc1cc2cccc(c2cn1)SCC3CCCCC3 62a_100010201637_100000211423 [1,0,0,0,0,0|2,1,0]=4 20 B21R3.8413 Nc1cc2cccc(c2cn1)SCC3CCOCC3 62a_100000754603_100010201637 [1,0,0,0,0,0|1,1,0]=3 21 B21R3.8413 Nc1cc2cccc(c2cn1)SCC3CCOCC3 62a_100010201637_100000749018 [1,0,0,0,0,0|1,1,0]=3 22 B21R3.8413 Nc1ccc2c(cccc2c1)OCC3CCCCC3 34a_100000035793_100000211423 [1,0,0,0,0,0|3,0,0]=4 23 B21R3.8413 Nc1ccc2c(cccc2c1)OCC3CCOCC3 34a_100000035793_100000754603 [1,0,0,0,0,0|2,0,0]=3 24 B21R3.8413 Nc1ccc2c(cccc2n1)SCC3CCCCC3 62a_100000723655_100000211423 [1,0,0,0,0,0|2,1,0]=4 25 B21R3.8413 Nc1ccc2c(cccc2n1)SCC3CCOCC3 62a_100000723655_100000749018 [1,0,0,0,0,0|1,1,0]=3 26 B21R3.8413 Nc1ncc2c(cccc2n1)C=CC3CCCCC3 271570a_100016283615_100010209551 [1,0,0,0,0,0|2,0,1]=4 27 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCCCC3 27a_100000210473_100010209551 [1,0,0,0,0,0|2,0,0]=3 28 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCCCO3 27a_100000174945_100010209551 [1,0,0,0,0,0|3,0,0]=4 29 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCCOC3 27a_100000720124_100010209551 [1,0,0,0,0,0|3,0,0]=4 30 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCOCC3 27a_100000746373_100010209551 [1,0,0,0,0,0|1,0,0]=2 31 B21R3.8413 Nc1ncc2c(cccc2n1)NCC3CCSCC3 27a_100015188806_100010209551 [1,0,0,0,0,0|1,1,0]=3 32 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCCC3 62a_100000211423_100010209551 [1,0,0,0,0,0|1,1,0]=3 33 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCCC3 62a_100010209551_100000211423 [1,0,0,0,0,0|1,1,0]=3 34 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCCO3 62a_100000211543_100010209551 [1,0,0,0,0,0|2,1,0]=4 35 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCCO3 62a_100010209551_100000211543 [1,0,0,0,0,0|2,1,0]=4 36 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCOC3 62a_100000741521_100010209551 [1,0,0,0,0,0|2,1,0]=4 37 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCCOC3 62a_100010209551_100000741521 [1,0,0,0,0,0|2,1,0]=4 38 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCOCC3 62a_100000754603_100010209551 [1,0,0,0,0,0|0,1,0]=2 39 B21R3.8413 Nc1ncc2c(cccc2n1)SCC3CCOCC3 62a_100010209551_100000749018 [1,0,0,0,0,0|0,1,0]=2 40 B21R3.8413 Oc1cc2cccc(c2cn1)SCC3CCOCC3 62a_100000754603_100009817091 [1,0,0,0,0,0|2,1,0]=4 41 B21R3.6679883 Brc1cccc2c1c(ccc2)OCC3CCOCC3 34a_100010089961_100000754603 [1,0,0,0,0,0|3,0,0]=4 42 B21R3.6679883 Brc1cccc2c1c(ccc2)OCC3CCOCC3 7a_100010089961_100000754603 [1,0,0,0,0,0|3,0,0]=4 43 B21R3.6679883 Clc1ccnc2c1c(ccc2)NCC3CCOCC3 34a_100010263589_100000754603 [1,0,0,0,0,0|3,0,0]=4 44 B21R3.6679883 Nc1cccc2c1c(ccc2)SCC3CCOCC3 62a_100010002837_100000749018 [1,0,0,0,0,0|2,1,0]=4 45 B21R3.6679883 Nc1nccc2c1c(ccc2)SCC3CCCCC3 62a_100010291105_100000211423 [1,0,0,0,0,0|2,1,0]=4 46 B21R3.6679883 Nc1nccc2c1c(ccc2)SCC3CCOCC3 62a_100010291105_100000749018 [1,0,0,0,0,0|1,1,0]=3 47 B21R3.6679883 Nc1ncnc2c1c(ccc2)C=CC3CCCCC3 271570a_100016283615_100010171649 [1,0,0,0,0,0|2,0,1]=4 48 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCCCC3 27a_100000210473_100010171649 [1,0,0,0,0,0|2,0,0]=3 49 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCCCO3 27a_100000174945_100010171649 [1,0,0,0,0,0|3,0,0]=4 50 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCCOC3 27a_100000720124_100010171649 [1,0,0,0,0,0|3,0,0]=4 51 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCOCC3 27a_100000746373_100010171649 [1,0,0,0,0,0|1,0,0]=2 52 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCC3CCSCC3 27a_100015188806_100010171649 [1,0,0,0,0,0|1,1,0]=3 53 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCC3CCCCC3 62a_100010171649_100000211423 [1,0,0,0,0,0|1,1,0]=3 54 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCC3CCCCO3 62a_100010171649_100000211543 [1,0,0,0,0,0|2,1,0]=4 55 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCC3CCCOC3 62a_100010171649_100000741521 [1,0,0,0,0,0|2,1,0]=4 56 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCC3CCOCC3 62a_100010171649_100000749018 [1,0,0,0,0,0|0,1,0]=2 57 B21R3.6679883 O=c1[nH]ccc2c1c(ccc2)OCC3CCOCC3 34a_200010358299_100000754603 [1,0,0,0,0,0|2,0,1]=4 58 B21R3.6679883 O=c1[nH]ccc2c1c(ccc2)OCC3CCOCC3 7a_200010358299_100000754603 [1,0,0,0,0,0|2,0,1]=4 59 B21R3.6679883 O=c1[nH]cnc2c1c(ccc2)NCC3CCOCC3 27a_100000746373_100000696754 [1,0,0,0,0,0|2,0,1]=4 60 B21R3.6679883 O=c1[nH]cnc2c1c(ccc2)SCC3CCOCC3 62a_100000754603_100000696754 [1,0,0,0,0,0|1,1,1]=4 61 B21R3.6679883 O=c1ccoc2c1c(ccc2)OCC3CCOCC3 34a_100000040341_100000754603 [1,0,0,0,0,0|3,0,0]=4 62 B21R3.6679883 O=c1ccoc2c1c(ccc2)OCC3CCOCC3 7a_100000040341_100000754603 [1,0,0,0,0,0|3,0,0]=4 63 B21R3.6679883 Oc1nccc2c1c(ccc2)SCC3CCOCC3 62a_100000754603_100010162479 [1,0,0,0,0,0|2,1,0]=4 64 B23R3.345848 Cc1nc(c2c(cccc2n1)N(C)CC3CCOCC3)O 27a_100025706683_200010988834 [0,1,0,0,0,0|3,0,0]=4 65 B23R3.17233761 CN1CCCCC1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100015185383 [0,1,0,0,0,0|2,1,0]=4 66 B23R3.24622273 CN1CCC(CC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100015183002 [0,1,0,0,0,0|1,1,0]=3 67 B23R3.73179940 CN1CCCC(C1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000752043 [0,1,0,0,0,0|2,1,0]=4 68 B23R3.94567380 Cc1nc(c2c(cccc2n1)NCC3(CCOCC3)C)O 27a_100000695556_200010988834 [0,1,0,0,0,0|3,0,0]=4 69 B23R3.94567380 Cc1nc(c2c(cccc2n1)NCC3(CCOCC3)F)O 27a_100016991512_200010988834 [0,1,0,0,0,0|3,0,0]=4 70 B23R3.94567380 Cc1nc(c2c(cccc2n1)NCC3(CCOCC3)O)O 27a_100000704115_200010988834 [0,1,0,0,0,0|3,0,0]=4 71 B21R2.20418346 CCCCCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_200015348155_200011217714 [0,0,1,0,0,0|2,0,1]=4 72 B21R2.20418346 CCCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210316 [0,0,1,0,0,0|1,1,0]=3 73 B21R2.20418346 CCCCOCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000743108 [0,0,1,0,0,0|2,1,0]=4 74 B21R2.20418346 Nc1nc(c2c(cccc2n1)SCCCCCCF)N 62a_200011217714_100015922095 [0,0,1,0,0,0|2,1,0]=4 75 B21R2.20418346 Nc1nc(c2c(cccc2n1)SCCCCCCO)N 62a_200011217714_100000766143 [0,0,1,0,0,0|2,1,0]=4 76 B23R4.119951610 Nc1nc(c2c(cccc2n1)SC3C4CCC3CC4)N 62a_200011217714_100009813300 [0,0,0,1,0,0|1,1,0]=3 77 B21R3.245565 Cn1nc(c2c1cccc2SCC3CCOCC3)N 62a_100010211377_100000749018 [0,0,0,0,1,0|2,1,0]=4 78 B21R3.245565 O=C1OC(=O)c2c1cccc2OCC3CCOCC3 7a_100000042631_100000754603 [0,0,0,0,1,0|3,0,0]=4 79 B21R3.246729 Cc1nc(c2c(cccc2n1)NC3CCOCC3)O 27a_100000741149_200010988834 [0,0,0,0,1,0|3,0,0]=4 80 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCCCC3)N 62a_200011217714_100000210327 [0,0,0,0,1,0|1,1,0]=3 81 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCCOC3)N 62a_200011217714_100000693364 [0,0,0,0,1,0|2,1,0]=4 82 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCOCC3)N 62a_200011217714_100011324220 [0,0,0,0,1,0|0,1,0]=2 83 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCSCC3)N 62a_200011217714_100000069128 [0,0,0,0,1,0|0,2,0]=3 84 B21R3.246731 Nc1nc(c2c(n[nH]c2n1)SCC3CCOCC3)N 62a_100010293082_100000749018 [0,0,0,0,1,0|2,1,0]=4 85 B21R3.4952301 Cc1nc(c2c(cccc2n1)NCC3CCCC3)O 27a_100000737975_200010988834 [0,0,0,0,1,0|3,0,0]=4 86 B21R3.4952301 Cc1nc(c2c(cccc2n1)NCC3CCOC3)O 27a_100000737293_200010988834 [0,0,0,0,1,0|3,0,0]=4 87 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCCC3)N 62a_200011217714_100000740388 [0,0,0,0,1,0|0,1,0]=2 88 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCCO3)N 62a_200011217714_100000203698 [0,0,0,0,1,0|1,1,0]=3 89 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCOC3)N 62a_200011217714_100000702531 [0,0,0,0,1,0|0,1,0]=2 90 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3OCCO3)N 62a_200011217714_100000755774 [0,0,0,0,1,0|2,1,0]=4 91 B23R3.345846 Cc1nc(c2c(cccc2n1)NCCC3CCOCC3)O 27a_100000755988_200010988834 [0,0,0,0,0,1|3,0,0]=4 92 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCC3CCCCC3)N 62a_200011217714_100012355289 [0,0,0,0,0,1|1,1,0]=3 93 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCC3CCOCC3)N 62a_200011217714_100011934994 [0,0,0,0,0,1|0,1,0]=2 94 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCN3CCCCC3)N 62a_200011217714_100000739454 [0,0,0,0,0,1|2,1,0]=4 95 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCN3CCOCC3)N 62a_200011217714_100000211760 [0,0,0,0,0,1|1,1,0]=3 96 B23R3.345846 Nc1nc(c2c(cccc2n1)SCOC3CCCCC3)N 62a_200011217714_100011935260 [0,0,0,0,0,1|1,1,0]=3 97 B23R3.10861076 Nc1nc(c2c(cccc2n1)SCC3CCCCCC3)N 62a_200011217714_200000696569 [0,0,0,0,0,1|1,1,0]=3 98 B20R2.3914685 CCCC(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011216630 [1,0,1,0,0,0|0,1,0]=3 99 B20R2.3914685 COCC(O)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215053 [1,0,1,0,0,0|1,1,0]=4 100 B20R2.10692609 CCC(CC)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215472 [1,0,1,0,0,0|0,1,0]=3 101 B20R2.179091 CCCCCCCNc1cccc2c1cnc(n2)N 27a_100000229938_100010209551 [1,0,1,0,0,0|2,0,0]=4 102 B20R2.179091 CCCCCCCSc1cccc2c1cnc(n2)N 62a_100000210614_100010209551 [1,0,1,0,0,0|1,1,0]=4 103 B20R2.179091 CCCCCCCSc1cccc2c1cnc(n2)N 62a_100010209551_100000210316 [1,0,1,0,0,0|1,1,0]=4 104 B20R2.812821 CCCCCCCNc1cccc2c1c(ncn2)N 27a_100000229938_100010171649 [1,0,1,0,0,0|2,0,0]=4 105 B20R2.812821 CCCCCCCSc1cccc2c1c(ncn2)N 62a_100010171649_100000210316 [1,0,1,0,0,0|1,1,0]=4 106 B20R2.5481804 CCCCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_100000062253_200011217714 [1,0,1,0,0,0|1,0,1]=4 107 B20R2.5481804 CCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210757 [1,0,1,0,0,0|0,1,0]=3 108 B20R2.5481804 CCCCOCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011995733 [1,0,1,0,0,0|1,1,0]=4 109 B20R2.5481804 CCCOCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215938 [1,0,1,0,0,0|1,1,0]=4 110 B20R2.5481804 CCOCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100012232248 [1,0,1,0,0,0|0,1,0]=3 111 B20R2.5481804 COCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000730899 [1,0,1,0,0,0|0,1,0]=3 112 B20R2.5481804 COCCOCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000231047 [1,0,1,0,0,0|1,1,0]=4 113 B20R2.5481804 Nc1nc(c2c(cccc2n1)SCCCCCF)N 62a_200011217714_100000729378 [1,0,1,0,0,0|1,1,0]=4 114 B20R2.5481804 Nc1nc(c2c(cccc2n1)SCCCCCO)N 62a_200011217714_100000746330 [1,0,1,0,0,0|1,1,0]=4 115 B20R3.2720 c1cc(c2cccnc2c1)NCC3CCOCC3 27a_100000746373_100011290932 [2,0,0,0,0,0|2,0,0]=4 116 B20R3.2720 c1cc(c2cccnc2c1)NCC3CCOCC3 34a_100000183906_100000754603 [2,0,0,0,0,0|2,0,0]=4 117 B20R3.2720 c1cc(c2cccnc2c1)OCC3CCCCC3 34a_100011197808_100000211423 [2,0,0,0,0,0|2,0,0]=4 118 B20R3.2720 c1cc(c2cccnc2c1)OCC3CCOCC3 34a_100011197808_100000754603 [2,0,0,0,0,0|1,0,0]=3 119 B20R3.2720 c1cc(c2cccnc2c1)SCC3CCOCC3 62a_100000754603_100011290932 [2,0,0,0,0,0|1,1,0]=4 120 B20R3.2720 c1cc(c2cccnc2c1)SCC3CCOCC3 62a_100011290932_100000749018 [2,0,0,0,0,0|1,1,0]=4 121 B20R3.2720 c1cc(c2cnccc2c1)OCC3CCCCC3 34a_103624766955_100000211423 [2,0,0,0,0,0|2,0,0]=4 122 B20R3.2720 c1cc(c2cnccc2c1)OCC3CCOCC3 34a_103624766955_100000754603 [2,0,0,0,0,0|1,0,0]=3 123 B20R3.2720 c1cc(c2cnccc2c1)SCC3CCOCC3 62a_100000685578_100000749018 [2,0,0,0,0,0|1,1,0]=4 124 B20R3.2720 c1cc(c2cnccc2c1)SCC3CCOCC3 62a_100000754603_100000685578 [2,0,0,0,0,0|1,1,0]=4 125 B20R3.2720 c1cc(c2cncnc2c1)NCC3CCCCC3 27a_100000210473_100009814520 [2,0,0,0,0,0|2,0,0]=4 126 B20R3.2720 c1cc(c2cncnc2c1)NCC3CCOCC3 27a_100000746373_100009814520 [2,0,0,0,0,0|1,0,0]=3 127 B20R3.2720 c1cc(c2cncnc2c1)NCC3CCSCC3 27a_100015188806_100009814520 [2,0,0,0,0,0|1,1,0]=4 128 B20R3.2720 c1cc(c2cncnc2c1)SCC3CCCCC3 62a_100000211423_100009814520 [2,0,0,0,0,0|1,1,0]=4 129 B20R3.2720 c1cc(c2cncnc2c1)SCC3CCCCC3 62a_100009814520_100000211423 [2,0,0,0,0,0|1,1,0]=4 130 B20R3.2720 c1cc(c2cncnc2c1)SCC3CCOCC3 62a_100000754603_100009814520 [2,0,0,0,0,0|0,1,0]=3 131 B20R3.2720 c1cc(c2cncnc2c1)SCC3CCOCC3 62a_100009814520_100000749018 [2,0,0,0,0,0|0,1,0]=3 132 B20R3.2720 c1cc(c2nccnc2c1)OCC3CCOCC3 34a_100000077048_100000754603 [2,0,0,0,0,0|2,0,0]=4 133 B20R3.2720 c1ccc2c(cccc2c1)OCC3CCOCC3 34a_100000210388_100000754603 [2,0,0,0,0,0|2,0,0]=4 134 B20R3.2720 c1ccc2c(cccc2c1)OCC3CCOCC3 7a_100000210388_100000754603 [2,0,0,0,0,0|2,0,0]=4 135 B22R2.129730272 CCCCC(CC)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000211942 [0,1,1,0,0,0|1,1,0]=4 136 B22R2.4683733 CC(=O)OCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000033659 [0,1,1,0,0,0|0,1,1]=4 137 B22R2.4683733 CC(C)CCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210682 [0,1,1,0,0,0|1,1,0]=4 138 B22R2.40307392 CCOC(=O)CCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009991533 [0,1,1,0,0,0|0,1,1]=4 139 B22R2.47179766 CCCCCCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_100134823654_200011217714 [0,1,1,0,0,0|2,0,0]=4 140 B22R2.47179766 CCCCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210317 [0,1,1,0,0,0|1,1,0]=4 141 B22R2.47179766 CCOCCOCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011211534 [0,1,1,0,0,0|0,1,0]=3 142 B22R2.47179766 COCCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011998445 [0,1,1,0,0,0|1,1,0]=4 143 B22R2.47179766 Nc1nc(c2c(cccc2n1)SCCCCCCCO)N 62a_200011217714_100000760002 [0,1,1,0,0,0|1,1,0]=4 144 B22R2.70033403 CCCCCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215978 [0,1,1,0,0,0|1,1,0]=4 145 B22R3.6134 N#Cc1ccc2c(cccc2n1)OCC3CCOCC3 7a_100009841945_100000754603 [1,1,0,0,0,0|1,0,1]=4 146 B22R3.12502 C[C@@H](Nc1cccc2c1cnc(n2)N)C3CCCCC3 27a_100025707633_100010209551 [1,1,0,0,0,0|2,0,0]=4 147 B22R3.12514 CN(CC1CCCCC1)c2cccc3c2cnc(n3)N 27a_100000736448_100010209551 [1,1,0,0,0,0|2,0,0]=4 148 B22R3.12514 CN(CC1CCOCC1)c2cccc3c2cnc(n3)N 27a_100025706683_100010209551 [1,1,0,0,0,0|1,0,0]=3 149 B22R3.12514 CN(CC1CCSCC1)c2cccc3c2cnc(n3)N 27a_100011935259_100010209551 [1,1,0,0,0,0|1,1,0]=4 150 B22R3.256038 Nc1ncc2c(cccc2n1)NCC3CCCCC3O 27a_100011216029_100010209551 [1,1,0,0,0,0|2,0,0]=4 151 B22R3.5442335 Nc1ncc2c(cccc2n1)NCC3CCCC(C3)O 27a_100011254705_100010209551 [1,1,0,0,0,0|2,0,0]=4 152 B22R3.5693164 CC1(CCCCC1)CNc2cccc3c2cnc(n3)N 27a_100000706052_100010209551 [1,1,0,0,0,0|2,0,0]=4 153 B22R3.5693164 CC1(CCOCC1)CNc2cccc3c2cnc(n3)N 27a_100000695556_100010209551 [1,1,0,0,0,0|1,0,0]=3 154 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCCCC3)O 27a_100000748649_100010209551 [1,1,0,0,0,0|2,0,0]=4 155 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCOCC3)F 27a_100016991512_100010209551 [1,1,0,0,0,0|1,0,0]=3 156 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCOCC3)O 27a_100000704115_100010209551 [1,1,0,0,0,0|1,0,0]=3 157 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCSCC3)O 27a_100000758141_100010209551 [1,1,0,0,0,0|1,1,0]=4 158 B22R3.15336736 CC1CCC(CC1)CNc2cccc3c2cnc(n3)N 27a_103436935547_100010209551 [1,1,0,0,0,0|2,0,0]=4 159 B22R3.15336736 CN1CCC(CC1)CNc2cccc3c2cnc(n3)N 27a_100000746316_100010209551 [1,1,0,0,0,0|2,0,0]=4 160 B22R3.15336736 CN1CCC(CC1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100015183002 [1,1,0,0,0,0|1,1,0]=4 161 B22R3.15336736 CN1CCC(CC1)CSc2cccc3c2cnc(n3)N 62a_100015183002_100010209551 [1,1,0,0,0,0|1,1,0]=4 162 B22R3.670680 Nc1ncnc2c1c(ccc2)NCC3CCCCC3O 27a_100011216029_100010171649 [1,1,0,0,0,0|2,0,0]=4 163 B22R3.1028997 CC1CCC(CC1)CNc2cccc3c2c(ncn3)N 27a_103436935547_100010171649 [1,1,0,0,0,0|2,0,0]=4 164 B22R3.1028997 CN1CCC(CC1)CNc2cccc3c2c(ncn3)N 27a_100000746316_100010171649 [1,1,0,0,0,0|2,0,0]=4 165 B22R3.1028997 CN1CCC(CC1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100015183002 [1,1,0,0,0,0|1,1,0]=4 166 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCC3CCCC(C3)O 27a_100011254705_100010171649 [1,1,0,0,0,0|2,0,0]=4 167 B22R3.10325616 CN(CC1CCCCC1)c2cccc3c2c(ncn3)N 27a_100000736448_100010171649 [1,1,0,0,0,0|2,0,0]=4 168 B22R3.10325616 CN(CC1CCOCC1)c2cccc3c2c(ncn3)N 27a_100025706683_100010171649 [1,1,0,0,0,0|1,0,0]=3 169 B22R3.10325616 CN(CC1CCSCC1)c2cccc3c2c(ncn3)N 27a_100011935259_100010171649 [1,1,0,0,0,0|1,1,0]=4 170 B22R3.10325627 C[C@@H](Nc1cccc2c1c(ncn2)N)C3CCCCC3 27a_100025707633_100010171649 [1,1,0,0,0,0|2,0,0]=4 171 B22R3.287767942 CC1(CCCCC1)CNc2cccc3c2c(ncn3)N 27a_100000706052_100010171649 [1,1,0,0,0,0|2,0,0]=4 172 B22R3.287767942 CC1(CCOCC1)CNc2cccc3c2c(ncn3)N 27a_100000695556_100010171649 [1,1,0,0,0,0|1,0,0]=3 173 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCCCC3)O 27a_100000748649_100010171649 [1,1,0,0,0,0|2,0,0]=4 174 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCOCC3)F 27a_100016991512_100010171649 [1,1,0,0,0,0|1,0,0]=3 175 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCOCC3)O 27a_100000704115_100010171649 [1,1,0,0,0,0|1,0,0]=3 176 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCSCC3)O 27a_100000758141_100010171649 [1,1,0,0,0,0|1,1,0]=4 177 B22R3.5325934 CC1CCC(CC1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_200011216234 [0,1,0,0,1,0|1,1,0]=4 178 B22R3.5325934 CN1CCC(CC1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011215917 [0,1,0,0,1,0|1,1,0]=4 179 B22R3.6681363 Nc1nc(c2c(cccc2n1)SC3CCCCC3F)N 62a_200011217714_100015423560 [0,1,0,0,1,0|1,1,0]=4 180 B22R3.6681363 Nc1nc(c2c(cccc2n1)SC3CCCCC3O)N 62a_200011217714_100000038908 [0,1,0,0,1,0|1,1,0]=4 181 B22R3.40912091 CN1CCC(C1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200000690779 [0,1,0,0,1,0|1,1,0]=4 182 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)C3CCCCC3)N 62a_200011217714_100000241979 [0,1,0,0,0,1|1,1,0]=4 183 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)C3CCOCC3)N 62a_200011217714_100000689883 [0,1,0,0,0,1|0,1,0]=3 184 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)N3CCOCC3)N 62a_200011217714_100000183410 [0,1,0,0,0,1|1,1,0]=4 185 B24R3.13186196 COC1CCC(CC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100013032858 [0,2,0,0,0,0|1,1,0]=4 186 B24R3.15829670 Nc1nc(c2c(cccc2n1)SCC3CCC(CC3)(F)F)N 62a_200011217714_100012361406 [0,2,0,0,0,0|1,1,0]=4 187 B24R3.2605835626 N#CC1(CCCCC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011219015 [0,2,0,0,0,0|1,1,0]=4 188 B22R3.17915 Clc1nc[nH]c1c2cccc(c2)OCC3CCOCC3 271570a_100011662987_100010200774 [0,0,1,1,0,0|2,0,0]=4 189 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCC3CCCCC3)N 62a_100012355061_100000211423 [0,0,1,1,0,0|1,1,0]=4 190 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCC3CCOCC3)N 62a_100012355061_100000749018 [0,0,1,1,0,0|0,1,0]=3 191 B22R3.10733 Nc1nc(cs1)c2ccccc2OCC3CCOCC3 7a_100000029192_100000754603 [0,0,1,1,0,0|2,0,0]=4 192 B22R3.7284411 Nc1nc(c2c(cccc2n1)SCCC3CCCC3)N 62a_200011217714_100000760354 [0,0,1,1,0,0|1,1,0]=4 193 B22R3.7285055 Nc1nc(c2c(cccc2n1)SC3CCCCCC3)N 62a_200011217714_100011217769 [0,0,1,1,0,0|1,1,0]=4 194 B22R4.1650978 Nc1ncc2c(cccc2n1)N3CC4CCC3CC4 27a_100000750499_100010209551 [1,0,0,1,0,0|2,0,0]=4 195 B22R4.1651006 Nc1ncc2c(cccc2n1)SC3C4CCC3CC4 62a_100009813300_100010209551 [1,0,0,1,0,0|1,1,0]=4 196 B22R4.1651006 Nc1ncc2c(cccc2n1)SC3C4CCC3CC4 62a_100010209551_100009813300 [1,0,0,1,0,0|1,1,0]=4 197 B22R4.85625383 Nc1ncnc2c1c(ccc2)N3CC4CCC3CC4 27a_100000750499_100010171649 [1,0,0,1,0,0|2,0,0]=4 198 B22R4.85625414 Nc1ncnc2c1c(ccc2)SC3C4CCC3CC4 62a_100010171649_100009813300 [1,0,0,1,0,0|1,1,0]=4 199 B20R2.7704683 CCCC(CC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011219200 [0,0,1,0,1,0|1,1,0]=4 200 B20R2.3767788 CCCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200011215066 [0,0,1,0,1,0|1,1,0]=4 201 B20R3.17 Cn1ncc2c1cccc2OCC3CCOCC3 34a_100009856027_100000754603 [1,0,0,0,1,0|2,0,0]=4 202 B20R3.17 Nc1noc2c1cccc2SCC3CCOCC3 62a_100000754603_100010069758 [1,0,0,0,1,0|1,1,0]=4 203 B20R3.17 Nc1noc2c1cccc2SCC3CCOCC3 62a_100010069758_100000749018 [1,0,0,0,1,0|1,1,0]=4 204 B20R3.173 Nc1cc2cccc(c2cn1)SC3CCOCC3 62a_100010201637_100011324220 [1,0,0,0,1,0|1,1,0]=4 205 B20R3.173 Nc1ccc2c(cccc2n1)SC3CCOCC3 62a_100000723655_100011324220 [1,0,0,0,1,0|1,1,0]=4 206 B20R3.173 Nc1ncc2c(cccc2n1)NC3CCCCC3 27a_100000182618_100010209551 [1,0,0,0,1,0|2,0,0]=4 207 B20R3.173 Nc1ncc2c(cccc2n1)NC3CCOCC3 27a_100000741149_100010209551 [1,0,0,0,1,0|1,0,0]=3 208 B20R3.173 Nc1ncc2c(cccc2n1)NC3CCSCC3 27a_100000748639_100010209551 [1,0,0,0,1,0|1,1,0]=4 209 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCCCC3 62a_100000210327_100010209551 [1,0,0,0,1,0|1,1,0]=4 210 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCCCC3 62a_100010209551_100000210327 [1,0,0,0,1,0|1,1,0]=4 211 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCOCC3 62a_100010209551_100011324220 [1,0,0,0,1,0|0,1,0]=3 212 B20R3.173 Nc1ncc2c(cccc2n1)SC3CCSCC3 62a_100010209551_100000069128 [1,0,0,0,1,0|0,2,0]=4 213 B20R3.5958 Nc1cc2cccc(c2cn1)SCC3CCCC3 62a_100000740388_100010201637 [1,0,0,0,1,0|1,1,0]=4 214 B20R3.5958 Nc1cc2cccc(c2cn1)SCC3CCCC3 62a_100010201637_100000740388 [1,0,0,0,1,0|1,1,0]=4 215 B20R3.5958 Nc1cc2cccc(c2cn1)SCC3CCOC3 62a_100000702531_100010201637 [1,0,0,0,1,0|1,1,0]=4 216 B20R3.5958 Nc1cc2cccc(c2cn1)SCC3CCOC3 62a_100010201637_100000702531 [1,0,0,0,1,0|1,1,0]=4 217 B20R3.5958 Nc1ccc2c(cccc2c1)OCC3CCCC3 34a_100000035793_100000740388 [1,0,0,0,1,0|2,0,0]=4 218 B20R3.5958 Nc1ccc2c(cccc2c1)OCC3CCOC3 34a_100000035793_100011261433 [1,0,0,0,1,0|2,0,0]=4 219 B20R3.5958 Nc1ccc2c(cccc2n1)SCC3CCCC3 62a_100000723655_100000740388 [1,0,0,0,1,0|1,1,0]=4 220 B20R3.5958 Nc1ccc2c(cccc2n1)SCC3CCOC3 62a_100000723655_100000702531 [1,0,0,0,1,0|1,1,0]=4 221 B20R3.5958 Nc1ncc2c(cccc2n1)NCC3CCCC3 27a_100000737975_100010209551 [1,0,0,0,1,0|1,0,0]=3 222 B20R3.5958 Nc1ncc2c(cccc2n1)NCC3CCOC3 27a_100000737293_100010209551 [1,0,0,0,1,0|1,0,0]=3 223 B20R3.5958 Nc1ncc2c(cccc2n1)NC[C@@H]3CCCO3 27a_100020590478_100010209551 [1,0,0,0,1,0|2,0,0]=4 224 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCCC3 62a_100000740388_100010209551 [1,0,0,0,1,0|0,1,0]=3 225 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCCC3 62a_100010209551_100000740388 [1,0,0,0,1,0|0,1,0]=3 226 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCCO3 62a_100000203698_100010209551 [1,0,0,0,1,0|1,1,0]=4 227 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCCO3 62a_100010209551_100000203698 [1,0,0,0,1,0|1,1,0]=4 228 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCOC3 62a_100000702531_100010209551 [1,0,0,0,1,0|0,1,0]=3 229 B20R3.5958 Nc1ncc2c(cccc2n1)SCC3CCOC3 62a_100010209551_100000702531 [1,0,0,0,1,0|0,1,0]=3 230 B20R3.14321 Cc1cc2c(cccc2[nH]1)OCC3CCOCC3 34a_200000059750_100000754603 [1,0,0,0,1,0|1,0,1]=4 231 B20R3.14321 Cn1cc2c(cccc2n1)OCC3CCOCC3 34a_100000106842_100000754603 [1,0,0,0,1,0|2,0,0]=4 232 B20R3.14321 Nc1nc2c(cccc2o1)OCC3CCCCC3 7a_100009892541_100000211423 [1,0,0,0,1,0|2,0,0]=4 233 B20R3.14321 Nc1nc2c(cccc2o1)OCC3CCOCC3 7a_100009892541_100000754603 [1,0,0,0,1,0|1,0,0]=3 234 B20R3.14321 Nc1nc2c(cccc2s1)OCC3CCCCC3 7a_100000065795_100000211423 [1,0,0,0,1,0|2,0,0]=4 235 B20R3.14321 Nc1nc2c(cccc2s1)OCC3CCOCC3 7a_100000065795_100000754603 [1,0,0,0,1,0|1,0,0]=3 236 B20R3.14321 Nc1nc2c(cccc2s1)SCC3CCOCC3 62a_100000724365_100000749018 [1,0,0,0,1,0|1,1,0]=4 237 B20R3.14321 Nc1nc2c(cccn2n1)SCC3CCOCC3 62a_100012344205_100000749018 [1,0,0,0,1,0|1,1,0]=4 238 B20R3.14321 Nc1nc2cccc(c2s1)SCC3CCOCC3 62a_100010235960_100000749018 [1,0,0,0,1,0|1,1,0]=4 239 B20R3.14321 Nc1nc2cccc(n2n1)SCC3CCOCC3 62a_100010243777_100000749018 [1,0,0,0,1,0|1,1,0]=4 240 B20R3.247867 Nc1nccc2c1c(ccc2)SC3CCOCC3 62a_100010291105_100011324220 [1,0,0,0,1,0|1,1,0]=4 241 B20R3.247867 Nc1ncnc2c1c(ccc2)NC3CCCCC3 27a_100000182618_100010171649 [1,0,0,0,1,0|2,0,0]=4 242 B20R3.247867 Nc1ncnc2c1c(ccc2)NC3CCOCC3 27a_100000741149_100010171649 [1,0,0,0,1,0|1,0,0]=3 243 B20R3.247867 Nc1ncnc2c1c(ccc2)NC3CCSCC3 27a_100000748639_100010171649 [1,0,0,0,1,0|1,1,0]=4 244 B20R3.247867 Nc1ncnc2c1c(ccc2)SC3CCCCC3 62a_100010171649_100000210327 [1,0,0,0,1,0|1,1,0]=4 245 B20R3.247867 Nc1ncnc2c1c(ccc2)SC3CCOCC3 62a_100010171649_100011324220 [1,0,0,0,1,0|0,1,0]=3 246 B20R3.247867 Nc1ncnc2c1c(ccc2)SC3CCSCC3 62a_100010171649_100000069128 [1,0,0,0,1,0|0,2,0]=4 247 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCC3CCOCC3 62a_100000754603_100010179808 [1,0,0,0,1,0|1,1,0]=4 248 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCC3CCOCC3 62a_100010179808_100000749018 [1,0,0,0,1,0|1,1,0]=4 249 B20R3.3278134 Nc1noc2c1c(ccc2)SCC3CCOCC3 62a_100000754603_100012361266 [1,0,0,0,1,0|1,1,0]=4 250 B20R3.3278134 Nc1noc2c1c(ccc2)SCC3CCOCC3 62a_100012361266_100000749018 [1,0,0,0,1,0|1,1,0]=4 251 B20R3.4389304 Nc1nccc2c1c(ccc2)SCC3CCCC3 62a_100010291105_100000740388 [1,0,0,0,1,0|1,1,0]=4 252 B20R3.4389304 Nc1nccc2c1c(ccc2)SCC3CCOC3 62a_100010291105_100000702531 [1,0,0,0,1,0|1,1,0]=4 253 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCC3CCCC3 27a_100000737975_100010171649 [1,0,0,0,1,0|1,0,0]=3 254 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCC3CCOC3 27a_100000737293_100010171649 [1,0,0,0,1,0|1,0,0]=3 255 B20R3.4389304 Nc1ncnc2c1c(ccc2)NC[C@@H]3CCCO3 27a_100020590478_100010171649 [1,0,0,0,1,0|2,0,0]=4 256 B20R3.4389304 Nc1ncnc2c1c(ccc2)SCC3CCCC3 62a_100010171649_100000740388 [1,0,0,0,1,0|0,1,0]=3 257 B20R3.4389304 Nc1ncnc2c1c(ccc2)SCC3CCCO3 62a_100010171649_100000203698 [1,0,0,0,1,0|1,1,0]=4 258 B20R3.4389304 Nc1ncnc2c1c(ccc2)SCC3CCOC3 62a_100010171649_100000702531 [1,0,0,0,1,0|0,1,0]=3 259 B20R3.8685 Nc1nc(c2c(cccc2n1)C3=CCOCC3)N 271570a_100000070234_200011217714 [0,0,0,0,2,0|0,0,2]=4 260 B20R3.3465641 Nc1nc(c2c(cccc2n1)C=C3CCCC3)N 271570a_100010378317_200011217714 [0,0,0,0,2,0|0,0,2]=4 261 B20R3.3465641 Nc1nc(c2c(cccc2n1)SC3CCCC3)N 62a_200011217714_100000179811 [0,0,0,0,2,0|0,1,0]=3 262 B20R3.3465641 Nc1nc(c2c(cccc2n1)SC3CCOC3)N 62a_200011217714_100000690089 [0,0,0,0,2,0|0,1,0]=3 263 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3CCC3)N 62a_200011217714_100000763275 [0,0,0,0,2,0|0,1,0]=3 264 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3CCO3)N 62a_200011217714_100000103362 [0,0,0,0,2,0|0,1,0]=3 265 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3COC3)N 62a_200011217714_100010264016 [0,0,0,0,2,0|0,1,0]=3 266 B22R3.12505 Nc1cc2cccc(c2cn1)SCCC3CCOCC3 62a_100010201637_100011934994 [1,0,0,0,0,1|1,1,0]=4 267 B22R3.12505 Nc1cc2cccc(c2cn1)SCCC3CCOCC3 62a_100011934994_100010201637 [1,0,0,0,0,1|1,1,0]=4 268 B22R3.12505 Nc1ccc2c(cccc2c1)OCCC3CCOCC3 34a_100000035793_100011934994 [1,0,0,0,0,1|2,0,0]=4 269 B22R3.12505 Nc1ccc2c(cccc2n1)SCCC3CCOCC3 62a_100000723655_100011934994 [1,0,0,0,0,1|1,1,0]=4 270 B22R3.12505 Nc1ncc2c(cccc2n1)NCCC3CCCCC3 27a_100000738074_100010209551 [1,0,0,0,0,1|2,0,0]=4 271 B22R3.12505 Nc1ncc2c(cccc2n1)NCCC3CCOCC3 27a_100000755988_100010209551 [1,0,0,0,0,1|1,0,0]=3 272 B22R3.12505 Nc1ncc2c(cccc2n1)NCCN3CCOCC3 27a_100000211067_100010209551 [1,0,0,0,0,1|2,0,0]=4 273 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCCCC3 62a_100010209551_100012355289 [1,0,0,0,0,1|1,1,0]=4 274 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCCCC3 62a_100012355289_100010209551 [1,0,0,0,0,1|1,1,0]=4 275 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCOCC3 62a_100010209551_100011934994 [1,0,0,0,0,1|0,1,0]=3 276 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCOCC3 62a_100011934994_100010209551 [1,0,0,0,0,1|0,1,0]=3 277 B22R3.12505 Nc1ncc2c(cccc2n1)SCCN3CCOCC3 62a_100010209551_100000211760 [1,0,0,0,0,1|1,1,0]=4 278 B22R3.12505 Nc1ncc2c(cccc2n1)SCOC3CCCCC3 62a_100010209551_100011935260 [1,0,0,0,0,1|1,1,0]=4 279 B22R3.12505 Nc1ncc2c(cccc2n1)SCOC3CCCCC3 62a_100011935260_100010209551 [1,0,0,0,0,1|1,1,0]=4 280 B22R3.256035 Nc1ncc2c(cccc2n1)NCC3CCCCCC3 27a_100015204231_100010209551 [1,0,0,0,0,1|2,0,0]=4 281 B22R3.256035 Nc1ncc2c(cccc2n1)SCC3CCCCCC3 62a_100010209551_200000696569 [1,0,0,0,0,1|1,1,0]=4 282 B22R3.256035 Nc1ncc2c(cccc2n1)SCC3CCCCCC3 62a_200000696569_100010209551 [1,0,0,0,0,1|1,1,0]=4 283 B22R3.10325631 Nc1nccc2c1c(ccc2)SCCC3CCOCC3 62a_100010291105_100011934994 [1,0,0,0,0,1|1,1,0]=4 284 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCC3CCCCC3 27a_100000738074_100010171649 [1,0,0,0,0,1|2,0,0]=4 285 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCC3CCOCC3 27a_100000755988_100010171649 [1,0,0,0,0,1|1,0,0]=3 286 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCN3CCOCC3 27a_100000211067_100010171649 [1,0,0,0,0,1|2,0,0]=4 287 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCC3CCCCC3 62a_100010171649_100012355289 [1,0,0,0,0,1|1,1,0]=4 288 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCC3CCOCC3 62a_100010171649_100011934994 [1,0,0,0,0,1|0,1,0]=3 289 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCN3CCOCC3 62a_100010171649_100000211760 [1,0,0,0,0,1|1,1,0]=4 290 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCOC3CCCCC3 62a_100010171649_100011935260 [1,0,0,0,0,1|1,1,0]=4 291 B22R3.71408526 Nc1ncnc2c1c(ccc2)NCC3CCCCCC3 27a_100015204231_100010171649 [1,0,0,0,0,1|2,0,0]=4 292 B22R3.71408526 Nc1ncnc2c1c(ccc2)SCC3CCCCCC3 62a_100010171649_200000696569 [1,0,0,0,0,1|1,1,0]=4 293 B22R3.717197 Cc1nc(c2nc(ccc2n1)NCC3CCOCC3)N 27a_100000746373_103550258228 [0,0,0,0,1,1|2,0,0]=4 294 B22R3.717197 Cc1nc(c2nc(ccc2n1)SCC3CCOCC3)N 62a_103550258228_100000749018 [0,0,0,0,1,1|1,1,0]=4 295 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCCC3CCCCC3)N 62a_200011217714_100011713725 [0,0,0,0,0,2|1,1,0]=4 296 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCCN3CCOCC3)N 62a_200011217714_100000748698 [0,0,0,0,0,2|1,1,0]=4 297 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCOC3CCCCC3)N 62a_200011217714_100011211530 [0,0,0,0,0,2|1,1,0]=4