0 B21R3.29517666 CC1(CCC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000726658 [0,0,0,0,0,0|1,1,0]=2 1 B21R3.29517666 CC1(COC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100009817586 [0,0,0,0,0,0|0,1,0]=1 2 B21R3.29517666 Cc1nc(c2c(cccc2n1)NCC3(CCC3)C)O 27a_100000706607_200010988834 [0,0,0,0,0,0|4,0,0]=4 3 B21R3.29517666 Cc1nc(c2c(cccc2n1)NCC3(COC3)C)O 27a_100020631278_200010988834 [0,0,0,0,0,0|3,0,0]=3 4 B21R3.29517666 Cc1nc(c2c(cccc2n1)NCC3(COC3)O)O 27a_100010264505_200010988834 [0,0,0,0,0,0|4,0,0]=4 5 B21R3.29517666 Cc1nc2cccc(c2c(=O)o1)NCC3(COC3)C 27a_100020631278_200010128068 [0,0,0,0,0,0|4,0,0]=4 6 B21R3.29517666 Cc1nc2cccc(c2c(=O)o1)SCC3(COC3)C 62a_100009817586_200010128068 [0,0,0,0,0,0|3,1,0]=4 7 B20R3.98823 CC1(CCC1)CNc2cccc3c2cnc(n3)N 27a_100000706607_100010209551 [1,0,0,0,0,0|2,0,0]=3 8 B20R3.98823 CC1(CCC1)COc2cccc3c2ccc(c3)N 34a_100000035793_100000726658 [1,0,0,0,0,0|3,0,0]=4 9 B20R3.98823 CC1(CCC1)CSc2cccc3c2ccc(n3)N 62a_100000723655_100000726658 [1,0,0,0,0,0|2,1,0]=4 10 B20R3.98823 CC1(CCC1)CSc2cccc3c2cnc(c3)N 62a_100000726658_100010201637 [1,0,0,0,0,0|2,1,0]=4 11 B20R3.98823 CC1(CCC1)CSc2cccc3c2cnc(c3)N 62a_100010201637_100000726658 [1,0,0,0,0,0|2,1,0]=4 12 B20R3.98823 CC1(CCC1)CSc2cccc3c2cnc(n3)N 62a_100000726658_100010209551 [1,0,0,0,0,0|1,1,0]=3 13 B20R3.98823 CC1(CCC1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000726658 [1,0,0,0,0,0|1,1,0]=3 14 B20R3.98823 CC1(COC1)CNc2cccc3c2cnc(n3)N 27a_100020631278_100010209551 [1,0,0,0,0,0|1,0,0]=2 15 B20R3.98823 CC1(COC1)COc2cccc3c2ccc(c3)Br 34a_100010202202_100009817586 [1,0,0,0,0,0|3,0,0]=4 16 B20R3.98823 CC1(COC1)COc2cccc3c2ccc(c3)Br 7a_100010202202_100009817586 [1,0,0,0,0,0|3,0,0]=4 17 B20R3.98823 CC1(COC1)COc2cccc3c2ccc(c3)F 34a_100009846233_100009817586 [1,0,0,0,0,0|3,0,0]=4 18 B20R3.98823 CC1(COC1)COc2cccc3c2ccc(c3)F 7a_100009846233_100009817586 [1,0,0,0,0,0|3,0,0]=4 19 B20R3.98823 CC1(COC1)COc2cccc3c2ccc(c3)N 34a_100000035793_100009817586 [1,0,0,0,0,0|2,0,0]=3 20 B20R3.98823 CC1(COC1)CSc2cccc3c2ccc(n3)N 62a_100000723655_100009817586 [1,0,0,0,0,0|1,1,0]=3 21 B20R3.98823 CC1(COC1)CSc2cccc3c2cnc(c3)N 62a_100009817586_100010201637 [1,0,0,0,0,0|1,1,0]=3 22 B20R3.98823 CC1(COC1)CSc2cccc3c2cnc(c3)N 62a_100010201637_100009817586 [1,0,0,0,0,0|1,1,0]=3 23 B20R3.98823 CC1(COC1)CSc2cccc3c2cnc(c3)O 62a_100009817586_100009817091 [1,0,0,0,0,0|2,1,0]=4 24 B20R3.98823 CC1(COC1)CSc2cccc3c2cnc(n3)N 62a_100009817586_100010209551 [1,0,0,0,0,0|0,1,0]=2 25 B20R3.98823 CC1(COC1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100009817586 [1,0,0,0,0,0|0,1,0]=2 26 B20R3.98823 Cc1ccc2c(cccc2n1)NCC3(COC3)C 27a_100020631278_100010173736 [1,0,0,0,0,0|3,0,0]=4 27 B20R3.98823 Cc1ccc2c(cccc2n1)NCC3(COC3)C 34a_106741707140_100009817586 [1,0,0,0,0,0|3,0,0]=4 28 B20R3.98823 Cc1ccc2c(cccc2n1)SCC3(COC3)C 62a_100009817586_100010173736 [1,0,0,0,0,0|2,1,0]=4 29 B20R3.98823 Cc1ccc2c(cccc2n1)SCC3(COC3)C 62a_100010173736_100009817586 [1,0,0,0,0,0|2,1,0]=4 30 B20R3.98823 Nc1ncc2c(cccc2n1)NCC3(CCC3)O 27a_100000752638_100010209551 [1,0,0,0,0,0|3,0,0]=4 31 B20R3.98823 Nc1ncc2c(cccc2n1)NCC3(COC3)O 27a_100010264505_100010209551 [1,0,0,0,0,0|2,0,0]=3 32 B20R3.3465633 Cc1nc(c2c(cccc2n1)NCC3COC3)O 27a_100015281925_200010988834 [1,0,0,0,0,0|3,0,0]=4 33 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3CCC3)N 62a_200011217714_100000763275 [1,0,0,0,0,0|1,1,0]=3 34 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3CCO3)N 62a_200011217714_100000103362 [1,0,0,0,0,0|2,1,0]=4 35 B20R3.3465633 Nc1nc(c2c(cccc2n1)SCC3COC3)N 62a_200011217714_100010264016 [1,0,0,0,0,0|0,1,0]=2 36 B20R3.19469193 CC1(CCC1)CNc2cccc3c2c(ncn3)N 27a_100000706607_100010171649 [1,0,0,0,0,0|2,0,0]=3 37 B20R3.19469193 CC1(CCC1)CSc2cccc3c2c(ncc3)N 62a_100010291105_100000726658 [1,0,0,0,0,0|2,1,0]=4 38 B20R3.19469193 CC1(CCC1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000726658 [1,0,0,0,0,0|1,1,0]=3 39 B20R3.19469193 CC1(COC1)CNc2cccc3c2c(=O)[nH]cn3 27a_100020631278_100000696754 [1,0,0,0,0,0|2,0,1]=4 40 B20R3.19469193 CC1(COC1)CNc2cccc3c2c(ccn3)Cl 34a_100010263589_100009817586 [1,0,0,0,0,0|3,0,0]=4 41 B20R3.19469193 CC1(COC1)CNc2cccc3c2c(ncn3)N 27a_100020631278_100010171649 [1,0,0,0,0,0|1,0,0]=2 42 B20R3.19469193 CC1(COC1)COc2cccc3c2c(=O)[nH]cc3 34a_200010358299_100009817586 [1,0,0,0,0,0|2,0,1]=4 43 B20R3.19469193 CC1(COC1)COc2cccc3c2c(=O)[nH]cc3 7a_200010358299_100009817586 [1,0,0,0,0,0|2,0,1]=4 44 B20R3.19469193 CC1(COC1)COc2cccc3c2c(=O)cco3 34a_100000040341_100009817586 [1,0,0,0,0,0|3,0,0]=4 45 B20R3.19469193 CC1(COC1)COc2cccc3c2c(=O)cco3 7a_100000040341_100009817586 [1,0,0,0,0,0|3,0,0]=4 46 B20R3.19469193 CC1(COC1)COc2cccc3c2c(ccc3)Br 34a_100010089961_100009817586 [1,0,0,0,0,0|3,0,0]=4 47 B20R3.19469193 CC1(COC1)COc2cccc3c2c(ccc3)Br 7a_100010089961_100009817586 [1,0,0,0,0,0|3,0,0]=4 48 B20R3.19469193 CC1(COC1)CSc2cccc3c2c(=O)[nH]cn3 62a_100009817586_100000696754 [1,0,0,0,0,0|1,1,1]=4 49 B20R3.19469193 CC1(COC1)CSc2cccc3c2c(ccc3)N 62a_100010002837_100009817586 [1,0,0,0,0,0|2,1,0]=4 50 B20R3.19469193 CC1(COC1)CSc2cccc3c2c(ncc3)N 62a_100010291105_100009817586 [1,0,0,0,0,0|1,1,0]=3 51 B20R3.19469193 CC1(COC1)CSc2cccc3c2c(ncc3)O 62a_100009817586_100010162479 [1,0,0,0,0,0|2,1,0]=4 52 B20R3.19469193 CC1(COC1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100009817586 [1,0,0,0,0,0|0,1,0]=2 53 B20R3.19469193 Nc1ncnc2c1c(ccc2)NCC3(CCC3)O 27a_100000752638_100010171649 [1,0,0,0,0,0|3,0,0]=4 54 B20R3.19469193 Nc1ncnc2c1c(ccc2)NCC3(COC3)O 27a_100010264505_100010171649 [1,0,0,0,0,0|2,0,0]=3 55 B22R3.172738876 CCC1(COC1)CNc2cccc3c2c(nc(n3)C)O 27a_100000101356_200010988834 [0,1,0,0,0,0|3,0,0]=4 56 B22R3.172738876 CCC1(COC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200009907690 [0,1,0,0,0,0|0,1,0]=2 57 B22R3.172738876 Cc1nc(c2c(cccc2n1)NCC3(COC3)CO)O 27a_100000069510_200010988834 [0,1,0,0,0,0|3,0,0]=4 58 B22R3.172738876 Nc1nc(c2c(cccc2n1)SCC3(COC3)CO)N 62a_200011217714_100000685550 [0,1,0,0,0,0|0,1,0]=2 59 B22R3.248264886 Cc1nc(c2c(cccc2n1)N(C)CC3(COC3)C)O 27a_114948340825_200010988834 [0,1,0,0,0,0|3,0,0]=4 60 B20R2.3914685 CCCC(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011216630 [0,0,1,0,0,0|1,1,0]=3 61 B20R2.3914685 COCC(O)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215053 [0,0,1,0,0,0|1,1,0]=3 62 B20R2.9798409 CC(C)(CO)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009813988 [0,0,1,0,0,0|0,1,0]=2 63 B20R2.9798409 COC(C)(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000701081 [0,0,1,0,0,0|2,1,0]=4 64 B20R2.9798409 Cc1nc(c2c(cccc2n1)NCC(C)(C)CO)O 27a_100020635058_200010988834 [0,0,1,0,0,0|3,0,0]=4 65 B22R4.311874930 Cc1nc(c2c(cccc2n1)N3CC4(C3)COC4)O 27a_100000757843_200010988834 [0,0,0,1,0,0|3,0,0]=4 66 B20R3.15808146 CC1(CO1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000760498 [0,0,0,0,1,0|0,1,0]=2 67 B20R3.15808146 Cc1nc(c2c(cccc2n1)NCC3(CC3)C)O 27a_100000766693_200010988834 [0,0,0,0,1,0|3,0,0]=4 68 B20R3.15808274 CC1(COC1)CSc2n[nH]c3c2c(nc(n3)N)N 62a_100010293082_100009817586 [0,0,0,0,1,0|2,1,0]=4 69 B20R3.15848857 CC1(COC1)COc2cccc3c2C(=O)OC3=O 7a_100000042631_100009817586 [0,0,0,0,1,0|3,0,0]=4 70 B20R3.15848857 Cn1nc(c2c1cccc2SCC3(COC3)C)N 62a_100010211377_100009817586 [0,0,0,0,1,0|2,1,0]=4 71 B22R3.53624905 CC1(OCCO1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100009818610 [0,0,0,0,0,1|2,1,0]=4 72 B19R2.202032 CCCC(C)CSc1cccc2c1cnc(n2)N 62a_100010209551_100011216630 [1,0,1,0,0,0|1,1,0]=4 73 B19R2.202032 CCCC(C)CSc1cccc2c1cnc(n2)N 62a_100011216630_100010209551 [1,0,1,0,0,0|1,1,0]=4 74 B19R2.202032 COCC(O)CNc1cccc2c1cnc(n2)N 27a_100000756049_100010209551 [1,0,1,0,0,0|2,0,0]=4 75 B19R2.202032 COCC(O)CSc1cccc2c1cnc(n2)N 62a_100010209551_100011215053 [1,0,1,0,0,0|1,1,0]=4 76 B19R2.202032 COCC(O)CSc1cccc2c1cnc(n2)N 62a_100011215053_100010209551 [1,0,1,0,0,0|1,1,0]=4 77 B19R2.1700305 CCCC(C)CSc1cccc2c1c(ncn2)N 62a_100010171649_100011216630 [1,0,1,0,0,0|1,1,0]=4 78 B19R2.1700305 COCC(O)CNc1cccc2c1c(ncn2)N 27a_100000756049_100010171649 [1,0,1,0,0,0|2,0,0]=4 79 B19R2.1700305 COCC(O)CSc1cccc2c1c(ncn2)N 62a_100010171649_100011215053 [1,0,1,0,0,0|1,1,0]=4 80 B19R2.4427914 CCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210326 [1,0,1,0,0,0|1,1,0]=4 81 B19R2.4427914 COCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000709357 [1,0,1,0,0,0|0,1,0]=3 82 B19R2.7037027 CCC(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000748023 [1,0,1,0,0,0|0,1,0]=3 83 B19R2.7037027 CCC(O)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011218378 [1,0,1,0,0,0|1,1,0]=4 84 B19R2.7037027 CC[C@H](C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009816398 [1,0,1,0,0,0|0,1,0]=3 85 B19R2.7037027 C[C@@H](CO)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000059175 [1,0,1,0,0,0|0,1,0]=3 86 B19R2.7037027 Nc1nc(c2c(cccc2n1)SCC(O)CO)N 62a_200011217714_100011219619 [1,0,1,0,0,0|1,1,0]=4 87 B19R2.7037027 Nc1nc(c2c(cccc2n1)SC[C@@H](O)CO)N 62a_200011217714_100009815848 [1,0,1,0,0,0|1,1,0]=4 88 B19R2.89094 CC(C)(CO)CNc1cccc2c1cnc(n2)N 27a_100020635058_100010209551 [1,0,1,0,0,0|1,0,0]=3 89 B19R2.89094 CC(C)(CO)COc1cccc2c1ccc(c2)N 34a_100000035793_100009813988 [1,0,1,0,0,0|2,0,0]=4 90 B19R2.89094 CC(C)(CO)CSc1cccc2c1ccc(n2)N 62a_100000723655_100009813988 [1,0,1,0,0,0|1,1,0]=4 91 B19R2.89094 CC(C)(CO)CSc1cccc2c1cnc(c2)N 62a_100009813988_100010201637 [1,0,1,0,0,0|1,1,0]=4 92 B19R2.89094 CC(C)(CO)CSc1cccc2c1cnc(c2)N 62a_100010201637_100009813988 [1,0,1,0,0,0|1,1,0]=4 93 B19R2.89094 CC(C)(CO)CSc1cccc2c1cnc(n2)N 62a_100009813988_100010209551 [1,0,1,0,0,0|0,1,0]=3 94 B19R2.89094 CC(C)(CO)CSc1cccc2c1cnc(n2)N 62a_100010209551_100009813988 [1,0,1,0,0,0|0,1,0]=3 95 B19R2.635857 CC(C)(C)C=Cc1cccc2c1c(nc(n2)N)N 271570a_100102527731_200011217714 [1,0,1,0,0,0|1,0,1]=4 96 B19R2.635857 CC(C)(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011219605 [1,0,1,0,0,0|0,1,0]=3 97 B19R2.635857 CC(C)(F)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011997219 [1,0,1,0,0,0|1,1,0]=4 98 B19R2.635857 CC(C)(O)C=Cc1cccc2c1c(nc(n2)N)N 271570a_200016258132_200011217714 [1,0,1,0,0,0|1,0,1]=4 99 B19R2.635857 CC(C)(O)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000764493 [1,0,1,0,0,0|0,1,0]=3 100 B19R2.635857 C[N+](C)(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_200000036245 [1,0,1,0,0,0|1,1,0]=4 101 B19R2.635857 C[Si](C)(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000037933 [1,0,1,0,0,0|0,2,0]=4 102 B19R2.846356 CC(C)(CO)CNc1cccc2c1c(ncn2)N 27a_100020635058_100010171649 [1,0,1,0,0,0|1,0,0]=3 103 B19R2.846356 CC(C)(CO)CSc1cccc2c1c(ncc2)N 62a_100010291105_100009813988 [1,0,1,0,0,0|1,1,0]=4 104 B19R2.846356 CC(C)(CO)CSc1cccc2c1c(ncn2)N 62a_100010171649_100009813988 [1,0,1,0,0,0|0,1,0]=3 105 B19R3.59498 Nc1cc2cccc(c2cn1)SCC3COC3 62a_100010201637_100010264016 [2,0,0,0,0,0|1,1,0]=4 106 B19R3.59498 Nc1cc2cccc(c2cn1)SCC3COC3 62a_100010264016_100010201637 [2,0,0,0,0,0|1,1,0]=4 107 B19R3.59498 Nc1ccc2c(cccc2c1)OCC3COC3 34a_100000035793_100010264016 [2,0,0,0,0,0|2,0,0]=4 108 B19R3.59498 Nc1ccc2c(cccc2n1)SCC3COC3 62a_100000723655_100010264016 [2,0,0,0,0,0|1,1,0]=4 109 B19R3.59498 Nc1ncc2c(cccc2n1)NCC3CCC3 27a_100000738700_100010209551 [2,0,0,0,0,0|2,0,0]=4 110 B19R3.59498 Nc1ncc2c(cccc2n1)NCC3COC3 27a_100015281925_100010209551 [2,0,0,0,0,0|1,0,0]=3 111 B19R3.59498 Nc1ncc2c(cccc2n1)SCC3CCC3 62a_100000763275_100010209551 [2,0,0,0,0,0|1,1,0]=4 112 B19R3.59498 Nc1ncc2c(cccc2n1)SCC3CCC3 62a_100010209551_100000763275 [2,0,0,0,0,0|1,1,0]=4 113 B19R3.59498 Nc1ncc2c(cccc2n1)SCC3COC3 62a_100010209551_100010264016 [2,0,0,0,0,0|0,1,0]=3 114 B19R3.59498 Nc1ncc2c(cccc2n1)SCC3COC3 62a_100010264016_100010209551 [2,0,0,0,0,0|0,1,0]=3 115 B19R3.59821 CC1(CCC1)CNc2cccc3c2cncn3 27a_100000706607_100009814520 [2,0,0,0,0,0|2,0,0]=4 116 B19R3.59821 CC1(CCC1)COc2cccc3c2cccn3 34a_100011197808_100000726658 [2,0,0,0,0,0|2,0,0]=4 117 B19R3.59821 CC1(CCC1)COc2cccc3c2cncc3 34a_103624766955_100000726658 [2,0,0,0,0,0|2,0,0]=4 118 B19R3.59821 CC1(CCC1)CSc2cccc3c2cncn3 62a_100000726658_100009814520 [2,0,0,0,0,0|1,1,0]=4 119 B19R3.59821 CC1(CCC1)CSc2cccc3c2cncn3 62a_100009814520_100000726658 [2,0,0,0,0,0|1,1,0]=4 120 B19R3.59821 CC1(COC1)CNc2cccc3c2cccn3 27a_100020631278_100011290932 [2,0,0,0,0,0|2,0,0]=4 121 B19R3.59821 CC1(COC1)CNc2cccc3c2cccn3 34a_100000183906_100009817586 [2,0,0,0,0,0|2,0,0]=4 122 B19R3.59821 CC1(COC1)CNc2cccc3c2cncn3 27a_100020631278_100009814520 [2,0,0,0,0,0|1,0,0]=3 123 B19R3.59821 CC1(COC1)COc2cccc3c2cccc3 34a_100000210388_100009817586 [2,0,0,0,0,0|2,0,0]=4 124 B19R3.59821 CC1(COC1)COc2cccc3c2cccc3 7a_100000210388_100009817586 [2,0,0,0,0,0|2,0,0]=4 125 B19R3.59821 CC1(COC1)COc2cccc3c2cccn3 34a_100011197808_100009817586 [2,0,0,0,0,0|1,0,0]=3 126 B19R3.59821 CC1(COC1)COc2cccc3c2cncc3 34a_103624766955_100009817586 [2,0,0,0,0,0|1,0,0]=3 127 B19R3.59821 CC1(COC1)COc2cccc3c2nccn3 34a_100000077048_100009817586 [2,0,0,0,0,0|2,0,0]=4 128 B19R3.59821 CC1(COC1)CSc2cccc3c2cccn3 62a_100009817586_100011290932 [2,0,0,0,0,0|1,1,0]=4 129 B19R3.59821 CC1(COC1)CSc2cccc3c2cccn3 62a_100011290932_100009817586 [2,0,0,0,0,0|1,1,0]=4 130 B19R3.59821 CC1(COC1)CSc2cccc3c2cncc3 62a_100000685578_100009817586 [2,0,0,0,0,0|1,1,0]=4 131 B19R3.59821 CC1(COC1)CSc2cccc3c2cncc3 62a_100009817586_100000685578 [2,0,0,0,0,0|1,1,0]=4 132 B19R3.59821 CC1(COC1)CSc2cccc3c2cncn3 62a_100009814520_100009817586 [2,0,0,0,0,0|0,1,0]=3 133 B19R3.59821 CC1(COC1)CSc2cccc3c2cncn3 62a_100009817586_100009814520 [2,0,0,0,0,0|0,1,0]=3 134 B19R3.59821 OC1(COC1)CNc2cccc3c2cncn3 27a_100010264505_100009814520 [2,0,0,0,0,0|2,0,0]=4 135 B19R3.9626331 Nc1nccc2c1c(ccc2)SCC3COC3 62a_100010291105_100010264016 [2,0,0,0,0,0|1,1,0]=4 136 B19R3.9626331 Nc1ncnc2c1c(ccc2)NCC3CCC3 27a_100000738700_100010171649 [2,0,0,0,0,0|2,0,0]=4 137 B19R3.9626331 Nc1ncnc2c1c(ccc2)NCC3COC3 27a_100015281925_100010171649 [2,0,0,0,0,0|1,0,0]=3 138 B19R3.9626331 Nc1ncnc2c1c(ccc2)SCC3CCC3 62a_100010171649_100000763275 [2,0,0,0,0,0|1,1,0]=4 139 B19R3.9626331 Nc1ncnc2c1c(ccc2)SCC3COC3 62a_100010171649_100010264016 [2,0,0,0,0,0|0,1,0]=3 140 B21R2.3650939 CC(CSc1cccc2c1c(nc(n2)N)N)CN(C)C 62a_200011217714_100015348159 [0,1,1,0,0,0|1,1,0]=4 141 B21R2.5926880 COC(=O)C(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000698445 [0,1,1,0,0,0|0,1,1]=4 142 B21R3.77489 CC1(COC1)COc2cccc3c2ccc(n3)C#N 7a_100009841945_100009817586 [1,1,0,0,0,0|1,0,1]=4 143 B21R3.3983165 CC(Nc1cccc2c1cnc(n2)N)C3(COC3)O 27a_200049820742_100010209551 [1,1,0,0,0,0|2,0,0]=4 144 B21R3.3983200 CN(CC1(COC1)C)c2cccc3c2cnc(n3)N 27a_114948340825_100010209551 [1,1,0,0,0,0|1,0,0]=3 145 B21R3.85402748 CCC1(CCC1)CNc2cccc3c2cnc(n3)N 27a_100000685557_100010209551 [1,1,0,0,0,0|2,0,0]=4 146 B21R3.85402748 CCC1(COC1)CNc2cccc3c2cnc(n3)N 27a_100000101356_100010209551 [1,1,0,0,0,0|1,0,0]=3 147 B21R3.85402748 CCC1(COC1)COc2cccc3c2ccc(c3)N 34a_100000035793_200009907690 [1,1,0,0,0,0|2,0,0]=4 148 B21R3.85402748 CCC1(COC1)CSc2cccc3c2ccc(n3)N 62a_100000723655_200009907690 [1,1,0,0,0,0|1,1,0]=4 149 B21R3.85402748 CCC1(COC1)CSc2cccc3c2cnc(c3)N 62a_100010201637_200009907690 [1,1,0,0,0,0|1,1,0]=4 150 B21R3.85402748 CCC1(COC1)CSc2cccc3c2cnc(c3)N 62a_200009907690_100010201637 [1,1,0,0,0,0|1,1,0]=4 151 B21R3.85402748 CCC1(COC1)CSc2cccc3c2cnc(n3)N 62a_100010209551_200009907690 [1,1,0,0,0,0|0,1,0]=3 152 B21R3.85402748 CCC1(COC1)CSc2cccc3c2cnc(n3)N 62a_200009907690_100010209551 [1,1,0,0,0,0|0,1,0]=3 153 B21R3.85402748 Nc1cc2cccc(c2cn1)SCC3(COC3)CO 62a_100000685550_100010201637 [1,1,0,0,0,0|1,1,0]=4 154 B21R3.85402748 Nc1cc2cccc(c2cn1)SCC3(COC3)CO 62a_100010201637_100000685550 [1,1,0,0,0,0|1,1,0]=4 155 B21R3.85402748 Nc1ccc2c(cccc2c1)OCC3(COC3)CO 34a_100000035793_100000685550 [1,1,0,0,0,0|2,0,0]=4 156 B21R3.85402748 Nc1ccc2c(cccc2n1)SCC3(COC3)CO 62a_100000723655_100000685550 [1,1,0,0,0,0|1,1,0]=4 157 B21R3.85402748 Nc1ncc2c(cccc2n1)NCC3(CCC3)CO 27a_100000701034_100010209551 [1,1,0,0,0,0|2,0,0]=4 158 B21R3.85402748 Nc1ncc2c(cccc2n1)NCC3(COC3)CO 27a_100000069510_100010209551 [1,1,0,0,0,0|1,0,0]=3 159 B21R3.85402748 Nc1ncc2c(cccc2n1)SCC3(COC3)CO 62a_100000685550_100010209551 [1,1,0,0,0,0|0,1,0]=3 160 B21R3.85402748 Nc1ncc2c(cccc2n1)SCC3(COC3)CO 62a_100010209551_100000685550 [1,1,0,0,0,0|0,1,0]=3 161 B21R3.29517616 Nc1nc(c2c(cccc2n1)SCC3CC(=O)C3)N 62a_200011217714_100009874392 [1,1,0,0,0,0|1,1,0]=4 162 B21R3.16969761 CCC1(CCC1)CNc2cccc3c2c(ncn3)N 27a_100000685557_100010171649 [1,1,0,0,0,0|2,0,0]=4 163 B21R3.16969761 CCC1(COC1)CNc2cccc3c2c(ncn3)N 27a_100000101356_100010171649 [1,1,0,0,0,0|1,0,0]=3 164 B21R3.16969761 CCC1(COC1)CSc2cccc3c2c(ncc3)N 62a_100010291105_200009907690 [1,1,0,0,0,0|1,1,0]=4 165 B21R3.16969761 CCC1(COC1)CSc2cccc3c2c(ncn3)N 62a_100010171649_200009907690 [1,1,0,0,0,0|0,1,0]=3 166 B21R3.16969761 Nc1nccc2c1c(ccc2)SCC3(COC3)CO 62a_100010291105_100000685550 [1,1,0,0,0,0|1,1,0]=4 167 B21R3.16969761 Nc1ncnc2c1c(ccc2)NCC3(CCC3)CO 27a_100000701034_100010171649 [1,1,0,0,0,0|2,0,0]=4 168 B21R3.16969761 Nc1ncnc2c1c(ccc2)NCC3(COC3)CO 27a_100000069510_100010171649 [1,1,0,0,0,0|1,0,0]=3 169 B21R3.16969761 Nc1ncnc2c1c(ccc2)SCC3(COC3)CO 62a_100010171649_100000685550 [1,1,0,0,0,0|0,1,0]=3 170 B21R3.136585430 CN(CC1(COC1)C)c2cccc3c2c(ncn3)N 27a_114948340825_100010171649 [1,1,0,0,0,0|1,0,0]=3 171 B21R3.136585517 CC(Nc1cccc2c1c(ncn2)N)C3(COC3)O 27a_200049820742_100010171649 [1,1,0,0,0,0|2,0,0]=4 172 B21R3.85540558 CCC1(CO1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200000139556 [0,1,0,0,1,0|0,1,0]=3 173 B21R3.85540558 N#CC1(CC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000695377 [0,1,0,0,1,0|0,1,1]=4 174 B21R3.41233566 CC1(CCC1)CSc2ccc3c(nc(nc3c2)N)N 62a_100012355061_100000726658 [0,0,1,1,0,0|1,1,0]=4 175 B21R3.41233566 CC1(COC1)CSc2ccc3c(nc(nc3c2)N)N 62a_100012355061_100009817586 [0,0,1,1,0,0|0,1,0]=3 176 B21R3.4394170 Nc1nc(c2c(cccc2n1)SC3COCC3O)N 62a_200011217714_200000725654 [0,0,1,1,0,0|1,1,0]=4 177 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCCC3)N 62a_200011217714_100000740388 [0,0,1,1,0,0|1,1,0]=4 178 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCOC3)N 62a_200011217714_100000702531 [0,0,1,1,0,0|0,1,0]=3 179 B21R3.3731203 CC1(COC1)COc2ccccc2c3csc(n3)N 7a_100000029192_100009817586 [0,0,1,1,0,0|2,0,0]=4 180 B21R4.3439275 Nc1ncc2c(cccc2n1)N3CC4(C3)CCC4 27a_100000690493_100010209551 [1,0,0,1,0,0|2,0,0]=4 181 B21R4.3439275 Nc1ncc2c(cccc2n1)N3CC4(C3)COC4 27a_100000757843_100010209551 [1,0,0,1,0,0|1,0,0]=3 182 B21R4.3439275 Nc1ncc2c(cccc2n1)N3CC4(C3)CSC4 27a_100000701075_100010209551 [1,0,0,1,0,0|1,1,0]=4 183 B21R4.172559758 Nc1ncnc2c1c(ccc2)N3CC4(C3)CCC4 27a_100000690493_100010171649 [1,0,0,1,0,0|2,0,0]=4 184 B21R4.172559758 Nc1ncnc2c1c(ccc2)N3CC4(C3)COC4 27a_100000757843_100010171649 [1,0,0,1,0,0|1,0,0]=3 185 B21R4.172559758 Nc1ncnc2c1c(ccc2)N3CC4(C3)CSC4 27a_100000701075_100010171649 [1,0,0,1,0,0|1,1,0]=4 186 B19R2.6643628 CCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000766640 [0,0,1,0,1,0|1,1,0]=4 187 B19R2.6643628 COCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000765312 [0,0,1,0,1,0|0,1,0]=3 188 B19R2.5510117 CCC(C)(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000032637 [0,0,1,0,1,0|1,1,0]=4 189 B19R3.18875 CC1(COC1)CSc2cccc3c2onc3N 62a_100009817586_100010069758 [1,0,0,0,1,0|1,1,0]=4 190 B19R3.18875 CC1(COC1)CSc2cccc3c2onc3N 62a_100010069758_100009817586 [1,0,0,0,1,0|1,1,0]=4 191 B19R3.18875 Cn1ncc2c1cccc2OCC3(COC3)C 34a_100009856027_100009817586 [1,0,0,0,1,0|2,0,0]=4 192 B19R3.58636 CC1(CC1)CNc2cccc3c2cnc(n3)N 27a_100000766693_100010209551 [1,0,0,0,1,0|1,0,0]=3 193 B19R3.58636 CC1(CO1)COc2cccc3c2ccc(c3)N 34a_100000035793_100000760498 [1,0,0,0,1,0|2,0,0]=4 194 B19R3.58636 CC1(CO1)CSc2cccc3c2ccc(n3)N 62a_100000723655_100000760498 [1,0,0,0,1,0|1,1,0]=4 195 B19R3.58636 CC1(CO1)CSc2cccc3c2cnc(c3)N 62a_100000760498_100010201637 [1,0,0,0,1,0|1,1,0]=4 196 B19R3.58636 CC1(CO1)CSc2cccc3c2cnc(c3)N 62a_100010201637_100000760498 [1,0,0,0,1,0|1,1,0]=4 197 B19R3.58636 CC1(CO1)CSc2cccc3c2cnc(n3)N 62a_100000760498_100010209551 [1,0,0,0,1,0|0,1,0]=3 198 B19R3.58636 CC1(CO1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000760498 [1,0,0,0,1,0|0,1,0]=3 199 B19R3.58636 Nc1ncc2c(cccc2n1)NCC3(CC3)O 27a_100011936951_100010209551 [1,0,0,0,1,0|2,0,0]=4 200 B19R3.59507 CC1(CCC1)Nc2cccc3c2cnc(n3)N 27a_100000692455_100010209551 [1,0,0,0,1,0|2,0,0]=4 201 B19R3.181112 CC1(CCC1)COc2cccc3c2nc(o3)N 7a_100009892541_100000726658 [1,0,0,0,1,0|2,0,0]=4 202 B19R3.181112 CC1(CCC1)COc2cccc3c2nc(s3)N 7a_100000065795_100000726658 [1,0,0,0,1,0|2,0,0]=4 203 B19R3.181112 CC1(COC1)COc2cccc3c2nc(o3)N 7a_100009892541_100009817586 [1,0,0,0,1,0|1,0,0]=3 204 B19R3.181112 CC1(COC1)COc2cccc3c2nc(s3)N 7a_100000065795_100009817586 [1,0,0,0,1,0|1,0,0]=3 205 B19R3.181112 CC1(COC1)CSc2cccc3c2nc(s3)N 62a_100000724365_100009817586 [1,0,0,0,1,0|1,1,0]=4 206 B19R3.181112 CC1(COC1)CSc2cccc3c2sc(n3)N 62a_100010235960_100009817586 [1,0,0,0,1,0|1,1,0]=4 207 B19R3.181112 CC1(COC1)CSc2cccc3n2nc(n3)N 62a_100010243777_100009817586 [1,0,0,0,1,0|1,1,0]=4 208 B19R3.181112 CC1(COC1)CSc2cccn3c2nc(n3)N 62a_100012344205_100009817586 [1,0,0,0,1,0|1,1,0]=4 209 B19R3.181112 Cc1cc2c(cccc2[nH]1)OCC3(COC3)C 34a_200000059750_100009817586 [1,0,0,0,1,0|1,0,1]=4 210 B19R3.181112 Cn1cc2c(cccc2n1)OCC3(COC3)C 34a_100000106842_100009817586 [1,0,0,0,1,0|2,0,0]=4 211 B19R3.2534852 Nc1nc(c2c(cccc2n1)SC3CCC3)N 62a_200011217714_100000749161 [1,0,0,0,1,0|1,1,0]=4 212 B19R3.2534852 Nc1nc(c2c(cccc2n1)SC3COC3)N 62a_200011217714_100009818527 [1,0,0,0,1,0|0,1,0]=3 213 B19R3.2534853 Nc1nc(c2c(cccc2n1)C#CC3CC3)N 271570a_200009880635_200011217714 [1,0,0,0,1,0|1,0,1]=4 214 B19R3.2534853 Nc1nc(c2c(cccc2n1)C=CC3CC3)N 271570a_100102526188_200011217714 [1,0,0,0,1,0|1,0,1]=4 215 B19R3.2534853 Nc1nc(c2c(cccc2n1)SCC3CC3)N 62a_200011217714_100000742324 [1,0,0,0,1,0|0,1,0]=3 216 B19R3.2534853 Nc1nc(c2c(cccc2n1)SCC3CO3)N 62a_200011217714_102125554688 [1,0,0,0,1,0|0,1,0]=3 217 B19R3.2534853 Nc1nc(c2c(cccc2n1)SCC3CS3)N 62a_200011217714_100000031435 [1,0,0,0,1,0|0,2,0]=4 218 B19R3.2534853 Nc1nc(c2c(cccc2n1)SC[C@@H]3CO3)N 62a_200011217714_100000745022 [1,0,0,0,1,0|0,1,0]=3 219 B19R3.3013146 CC1(COC1)CSc2c[nH]c3c2c(ncn3)N 62a_100009817586_100010179808 [1,0,0,0,1,0|1,1,0]=4 220 B19R3.3013146 CC1(COC1)CSc2c[nH]c3c2c(ncn3)N 62a_100010179808_100009817586 [1,0,0,0,1,0|1,1,0]=4 221 B19R3.7689882 CC1(COC1)CSc2cccc3c2c(no3)N 62a_100009817586_100012361266 [1,0,0,0,1,0|1,1,0]=4 222 B19R3.7689882 CC1(COC1)CSc2cccc3c2c(no3)N 62a_100012361266_100009817586 [1,0,0,0,1,0|1,1,0]=4 223 B19R3.9628776 CC1(CC1)CNc2cccc3c2c(ncn3)N 27a_100000766693_100010171649 [1,0,0,0,1,0|1,0,0]=3 224 B19R3.9628776 CC1(CO1)CSc2cccc3c2c(ncc3)N 62a_100010291105_100000760498 [1,0,0,0,1,0|1,1,0]=4 225 B19R3.9628776 CC1(CO1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000760498 [1,0,0,0,1,0|0,1,0]=3 226 B19R3.9628776 Nc1ncnc2c1c(ccc2)NCC3(CC3)O 27a_100011936951_100010171649 [1,0,0,0,1,0|2,0,0]=4 227 B19R3.9628778 CC1(CCC1)Nc2cccc3c2c(ncn3)N 27a_100000692455_100010171649 [1,0,0,0,1,0|2,0,0]=4 228 B21R3.141921755 Cc1nc(c2nc(ccc2n1)NCC3(COC3)C)N 27a_100020631278_103550258228 [0,0,0,0,1,1|2,0,0]=4 229 B21R3.141921755 Cc1nc(c2nc(ccc2n1)SCC3(COC3)C)N 62a_103550258228_100009817586 [0,0,0,0,1,1|1,1,0]=4