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 B23R3.345848 Cc1nc(c2c(cccc2n1)N(C)CC3CCOCC3)O 27a_100025706683_200010988834 [0,1,0,0,0,0|3,0,0]=4 11 B23R3.17233761 CN1CCCCC1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100015185383 [0,1,0,0,0,0|2,1,0]=4 12 B23R3.24622273 CN1CCC(CC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100015183002 [0,1,0,0,0,0|1,1,0]=3 13 B23R3.73179940 CN1CCCC(C1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000752043 [0,1,0,0,0,0|2,1,0]=4 14 B23R3.94567380 Cc1nc(c2c(cccc2n1)NCC3(CCOCC3)C)O 27a_100000695556_200010988834 [0,1,0,0,0,0|3,0,0]=4 15 B23R3.94567380 Cc1nc(c2c(cccc2n1)NCC3(CCOCC3)F)O 27a_100016991512_200010988834 [0,1,0,0,0,0|3,0,0]=4 16 B23R3.94567380 Cc1nc(c2c(cccc2n1)NCC3(CCOCC3)O)O 27a_100000704115_200010988834 [0,1,0,0,0,0|3,0,0]=4 17 B21R2.20418346 CCCCCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_200015348155_200011217714 [0,0,1,0,0,0|2,0,1]=4 18 B21R2.20418346 CCCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210316 [0,0,1,0,0,0|1,1,0]=3 19 B21R2.20418346 CCCCOCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000743108 [0,0,1,0,0,0|2,1,0]=4 20 B21R2.20418346 Nc1nc(c2c(cccc2n1)SCCCCCCF)N 62a_200011217714_100015922095 [0,0,1,0,0,0|2,1,0]=4 21 B21R2.20418346 Nc1nc(c2c(cccc2n1)SCCCCCCO)N 62a_200011217714_100000766143 [0,0,1,0,0,0|2,1,0]=4 22 B23R4.119951610 Nc1nc(c2c(cccc2n1)SC3C4CCC3CC4)N 62a_200011217714_100009813300 [0,0,0,1,0,0|1,1,0]=3 23 B23R3.345846 Cc1nc(c2c(cccc2n1)NCCC3CCOCC3)O 27a_100000755988_200010988834 [0,0,0,0,0,1|3,0,0]=4 24 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCC3CCCCC3)N 62a_200011217714_100012355289 [0,0,0,0,0,1|1,1,0]=3 25 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCC3CCOCC3)N 62a_200011217714_100011934994 [0,0,0,0,0,1|0,1,0]=2 26 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCN3CCCCC3)N 62a_200011217714_100000739454 [0,0,0,0,0,1|2,1,0]=4 27 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCN3CCOCC3)N 62a_200011217714_100000211760 [0,0,0,0,0,1|1,1,0]=3 28 B23R3.345846 Nc1nc(c2c(cccc2n1)SCOC3CCCCC3)N 62a_200011217714_100011935260 [0,0,0,0,0,1|1,1,0]=3 29 B23R3.10861076 Nc1nc(c2c(cccc2n1)SCC3CCCCCC3)N 62a_200011217714_200000696569 [0,0,0,0,0,1|1,1,0]=3 30 B22R2.129730272 CCCCC(CC)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000211942 [0,1,1,0,0,0|1,1,0]=4 31 B22R2.4683733 CC(=O)OCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000033659 [0,1,1,0,0,0|0,1,1]=4 32 B22R2.4683733 CC(C)CCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210682 [0,1,1,0,0,0|1,1,0]=4 33 B22R2.40307392 CCOC(=O)CCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009991533 [0,1,1,0,0,0|0,1,1]=4 34 B22R2.47179766 CCCCCCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_100134823654_200011217714 [0,1,1,0,0,0|2,0,0]=4 35 B22R2.47179766 CCCCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210317 [0,1,1,0,0,0|1,1,0]=4 36 B22R2.47179766 CCOCCOCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011211534 [0,1,1,0,0,0|0,1,0]=3 37 B22R2.47179766 COCCCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011998445 [0,1,1,0,0,0|1,1,0]=4 38 B22R2.47179766 Nc1nc(c2c(cccc2n1)SCCCCCCCO)N 62a_200011217714_100000760002 [0,1,1,0,0,0|1,1,0]=4 39 B22R2.70033403 CCCCCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215978 [0,1,1,0,0,0|1,1,0]=4 40 B22R3.6134 N#Cc1ccc2c(cccc2n1)OCC3CCOCC3 7a_100009841945_100000754603 [1,1,0,0,0,0|1,0,1]=4 41 B22R3.12502 C[C@@H](Nc1cccc2c1cnc(n2)N)C3CCCCC3 27a_100025707633_100010209551 [1,1,0,0,0,0|2,0,0]=4 42 B22R3.12514 CN(CC1CCCCC1)c2cccc3c2cnc(n3)N 27a_100000736448_100010209551 [1,1,0,0,0,0|2,0,0]=4 43 B22R3.12514 CN(CC1CCOCC1)c2cccc3c2cnc(n3)N 27a_100025706683_100010209551 [1,1,0,0,0,0|1,0,0]=3 44 B22R3.12514 CN(CC1CCSCC1)c2cccc3c2cnc(n3)N 27a_100011935259_100010209551 [1,1,0,0,0,0|1,1,0]=4 45 B22R3.256038 Nc1ncc2c(cccc2n1)NCC3CCCCC3O 27a_100011216029_100010209551 [1,1,0,0,0,0|2,0,0]=4 46 B22R3.5442335 Nc1ncc2c(cccc2n1)NCC3CCCC(C3)O 27a_100011254705_100010209551 [1,1,0,0,0,0|2,0,0]=4 47 B22R3.5693164 CC1(CCCCC1)CNc2cccc3c2cnc(n3)N 27a_100000706052_100010209551 [1,1,0,0,0,0|2,0,0]=4 48 B22R3.5693164 CC1(CCOCC1)CNc2cccc3c2cnc(n3)N 27a_100000695556_100010209551 [1,1,0,0,0,0|1,0,0]=3 49 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCCCC3)O 27a_100000748649_100010209551 [1,1,0,0,0,0|2,0,0]=4 50 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCOCC3)F 27a_100016991512_100010209551 [1,1,0,0,0,0|1,0,0]=3 51 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCOCC3)O 27a_100000704115_100010209551 [1,1,0,0,0,0|1,0,0]=3 52 B22R3.5693164 Nc1ncc2c(cccc2n1)NCC3(CCSCC3)O 27a_100000758141_100010209551 [1,1,0,0,0,0|1,1,0]=4 53 B22R3.15336736 CC1CCC(CC1)CNc2cccc3c2cnc(n3)N 27a_103436935547_100010209551 [1,1,0,0,0,0|2,0,0]=4 54 B22R3.15336736 CN1CCC(CC1)CNc2cccc3c2cnc(n3)N 27a_100000746316_100010209551 [1,1,0,0,0,0|2,0,0]=4 55 B22R3.15336736 CN1CCC(CC1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100015183002 [1,1,0,0,0,0|1,1,0]=4 56 B22R3.15336736 CN1CCC(CC1)CSc2cccc3c2cnc(n3)N 62a_100015183002_100010209551 [1,1,0,0,0,0|1,1,0]=4 57 B22R3.670680 Nc1ncnc2c1c(ccc2)NCC3CCCCC3O 27a_100011216029_100010171649 [1,1,0,0,0,0|2,0,0]=4 58 B22R3.1028997 CC1CCC(CC1)CNc2cccc3c2c(ncn3)N 27a_103436935547_100010171649 [1,1,0,0,0,0|2,0,0]=4 59 B22R3.1028997 CN1CCC(CC1)CNc2cccc3c2c(ncn3)N 27a_100000746316_100010171649 [1,1,0,0,0,0|2,0,0]=4 60 B22R3.1028997 CN1CCC(CC1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100015183002 [1,1,0,0,0,0|1,1,0]=4 61 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCC3CCCC(C3)O 27a_100011254705_100010171649 [1,1,0,0,0,0|2,0,0]=4 62 B22R3.10325616 CN(CC1CCCCC1)c2cccc3c2c(ncn3)N 27a_100000736448_100010171649 [1,1,0,0,0,0|2,0,0]=4 63 B22R3.10325616 CN(CC1CCOCC1)c2cccc3c2c(ncn3)N 27a_100025706683_100010171649 [1,1,0,0,0,0|1,0,0]=3 64 B22R3.10325616 CN(CC1CCSCC1)c2cccc3c2c(ncn3)N 27a_100011935259_100010171649 [1,1,0,0,0,0|1,1,0]=4 65 B22R3.10325627 C[C@@H](Nc1cccc2c1c(ncn2)N)C3CCCCC3 27a_100025707633_100010171649 [1,1,0,0,0,0|2,0,0]=4 66 B22R3.287767942 CC1(CCCCC1)CNc2cccc3c2c(ncn3)N 27a_100000706052_100010171649 [1,1,0,0,0,0|2,0,0]=4 67 B22R3.287767942 CC1(CCOCC1)CNc2cccc3c2c(ncn3)N 27a_100000695556_100010171649 [1,1,0,0,0,0|1,0,0]=3 68 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCCCC3)O 27a_100000748649_100010171649 [1,1,0,0,0,0|2,0,0]=4 69 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCOCC3)F 27a_100016991512_100010171649 [1,1,0,0,0,0|1,0,0]=3 70 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCOCC3)O 27a_100000704115_100010171649 [1,1,0,0,0,0|1,0,0]=3 71 B22R3.287767942 Nc1ncnc2c1c(ccc2)NCC3(CCSCC3)O 27a_100000758141_100010171649 [1,1,0,0,0,0|1,1,0]=4 72 B22R3.5325934 CC1CCC(CC1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_200011216234 [0,1,0,0,1,0|1,1,0]=4 73 B22R3.5325934 CN1CCC(CC1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011215917 [0,1,0,0,1,0|1,1,0]=4 74 B22R3.6681363 Nc1nc(c2c(cccc2n1)SC3CCCCC3F)N 62a_200011217714_100015423560 [0,1,0,0,1,0|1,1,0]=4 75 B22R3.6681363 Nc1nc(c2c(cccc2n1)SC3CCCCC3O)N 62a_200011217714_100000038908 [0,1,0,0,1,0|1,1,0]=4 76 B22R3.40912091 CN1CCC(C1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200000690779 [0,1,0,0,1,0|1,1,0]=4 77 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)C3CCCCC3)N 62a_200011217714_100000241979 [0,1,0,0,0,1|1,1,0]=4 78 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)C3CCOCC3)N 62a_200011217714_100000689883 [0,1,0,0,0,1|0,1,0]=3 79 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)N3CCOCC3)N 62a_200011217714_100000183410 [0,1,0,0,0,1|1,1,0]=4 80 B24R3.13186196 COC1CCC(CC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100013032858 [0,2,0,0,0,0|1,1,0]=4 81 B24R3.15829670 Nc1nc(c2c(cccc2n1)SCC3CCC(CC3)(F)F)N 62a_200011217714_100012361406 [0,2,0,0,0,0|1,1,0]=4 82 B24R3.2605835626 N#CC1(CCCCC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011219015 [0,2,0,0,0,0|1,1,0]=4 83 B22R3.17915 Clc1nc[nH]c1c2cccc(c2)OCC3CCOCC3 271570a_100011662987_100010200774 [0,0,1,1,0,0|2,0,0]=4 84 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCC3CCCCC3)N 62a_100012355061_100000211423 [0,0,1,1,0,0|1,1,0]=4 85 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCC3CCOCC3)N 62a_100012355061_100000749018 [0,0,1,1,0,0|0,1,0]=3 86 B22R3.10733 Nc1nc(cs1)c2ccccc2OCC3CCOCC3 7a_100000029192_100000754603 [0,0,1,1,0,0|2,0,0]=4 87 B22R3.7284411 Nc1nc(c2c(cccc2n1)SCCC3CCCC3)N 62a_200011217714_100000760354 [0,0,1,1,0,0|1,1,0]=4 88 B22R3.7285055 Nc1nc(c2c(cccc2n1)SC3CCCCCC3)N 62a_200011217714_100011217769 [0,0,1,1,0,0|1,1,0]=4 89 B22R3.12505 Nc1cc2cccc(c2cn1)SCCC3CCOCC3 62a_100010201637_100011934994 [1,0,0,0,0,1|1,1,0]=4 90 B22R3.12505 Nc1cc2cccc(c2cn1)SCCC3CCOCC3 62a_100011934994_100010201637 [1,0,0,0,0,1|1,1,0]=4 91 B22R3.12505 Nc1ccc2c(cccc2c1)OCCC3CCOCC3 34a_100000035793_100011934994 [1,0,0,0,0,1|2,0,0]=4 92 B22R3.12505 Nc1ccc2c(cccc2n1)SCCC3CCOCC3 62a_100000723655_100011934994 [1,0,0,0,0,1|1,1,0]=4 93 B22R3.12505 Nc1ncc2c(cccc2n1)NCCC3CCCCC3 27a_100000738074_100010209551 [1,0,0,0,0,1|2,0,0]=4 94 B22R3.12505 Nc1ncc2c(cccc2n1)NCCC3CCOCC3 27a_100000755988_100010209551 [1,0,0,0,0,1|1,0,0]=3 95 B22R3.12505 Nc1ncc2c(cccc2n1)NCCN3CCOCC3 27a_100000211067_100010209551 [1,0,0,0,0,1|2,0,0]=4 96 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCCCC3 62a_100010209551_100012355289 [1,0,0,0,0,1|1,1,0]=4 97 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCCCC3 62a_100012355289_100010209551 [1,0,0,0,0,1|1,1,0]=4 98 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCOCC3 62a_100010209551_100011934994 [1,0,0,0,0,1|0,1,0]=3 99 B22R3.12505 Nc1ncc2c(cccc2n1)SCCC3CCOCC3 62a_100011934994_100010209551 [1,0,0,0,0,1|0,1,0]=3 100 B22R3.12505 Nc1ncc2c(cccc2n1)SCCN3CCOCC3 62a_100010209551_100000211760 [1,0,0,0,0,1|1,1,0]=4 101 B22R3.12505 Nc1ncc2c(cccc2n1)SCOC3CCCCC3 62a_100010209551_100011935260 [1,0,0,0,0,1|1,1,0]=4 102 B22R3.12505 Nc1ncc2c(cccc2n1)SCOC3CCCCC3 62a_100011935260_100010209551 [1,0,0,0,0,1|1,1,0]=4 103 B22R3.256035 Nc1ncc2c(cccc2n1)NCC3CCCCCC3 27a_100015204231_100010209551 [1,0,0,0,0,1|2,0,0]=4 104 B22R3.256035 Nc1ncc2c(cccc2n1)SCC3CCCCCC3 62a_100010209551_200000696569 [1,0,0,0,0,1|1,1,0]=4 105 B22R3.256035 Nc1ncc2c(cccc2n1)SCC3CCCCCC3 62a_200000696569_100010209551 [1,0,0,0,0,1|1,1,0]=4 106 B22R3.10325631 Nc1nccc2c1c(ccc2)SCCC3CCOCC3 62a_100010291105_100011934994 [1,0,0,0,0,1|1,1,0]=4 107 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCC3CCCCC3 27a_100000738074_100010171649 [1,0,0,0,0,1|2,0,0]=4 108 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCC3CCOCC3 27a_100000755988_100010171649 [1,0,0,0,0,1|1,0,0]=3 109 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCN3CCOCC3 27a_100000211067_100010171649 [1,0,0,0,0,1|2,0,0]=4 110 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCC3CCCCC3 62a_100010171649_100012355289 [1,0,0,0,0,1|1,1,0]=4 111 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCC3CCOCC3 62a_100010171649_100011934994 [1,0,0,0,0,1|0,1,0]=3 112 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCN3CCOCC3 62a_100010171649_100000211760 [1,0,0,0,0,1|1,1,0]=4 113 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCOC3CCCCC3 62a_100010171649_100011935260 [1,0,0,0,0,1|1,1,0]=4 114 B22R3.71408526 Nc1ncnc2c1c(ccc2)NCC3CCCCCC3 27a_100015204231_100010171649 [1,0,0,0,0,1|2,0,0]=4 115 B22R3.71408526 Nc1ncnc2c1c(ccc2)SCC3CCCCCC3 62a_100010171649_200000696569 [1,0,0,0,0,1|1,1,0]=4 116 B22R3.717197 Cc1nc(c2nc(ccc2n1)NCC3CCOCC3)N 27a_100000746373_103550258228 [0,0,0,0,1,1|2,0,0]=4 117 B22R3.717197 Cc1nc(c2nc(ccc2n1)SCC3CCOCC3)N 62a_103550258228_100000749018 [0,0,0,0,1,1|1,1,0]=4 118 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCCC3CCCCC3)N 62a_200011217714_100011713725 [0,0,0,0,0,2|1,1,0]=4 119 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCCN3CCOCC3)N 62a_200011217714_100000748698 [0,0,0,0,0,2|1,1,0]=4 120 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCOC3CCCCC3)N 62a_200011217714_100011211530 [0,0,0,0,0,2|1,1,0]=4