0 B20R3.12656 Cc1cc(c2[nH]cnc2c1)SCC3CCCCC3 62a_100000211423_100010107307 [0,0,0,0,0,0|3,1,0]=4 1 B20R3.12656 Cc1nc(c2cc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000092993 [0,0,0,0,0,0|3,0,1]=4 2 B20R3.12656 Cc1nc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000092993 [0,0,0,0,0,0|2,1,1]=4 3 B20R3.12656 Cc1nc(c2ccsc2n1)NCC3CCCCC3 27a_100000210473_100000183124 [0,0,0,0,0,0|4,0,0]=4 4 B20R3.12656 Cc1nc(c2ccsc2n1)SCC3CCCCC3 62a_100000183124_100000211423 [0,0,0,0,0,0|3,1,0]=4 5 B20R3.12656 Cc1nc(c2ccsc2n1)SCC3CCCCC3 62a_100000211423_100000183124 [0,0,0,0,0,0|3,1,0]=4 6 B20R3.12656 Cc1nc(c2sccc2n1)NCC3CCCCC3 27a_100000210473_100012000418 [0,0,0,0,0,0|4,0,0]=4 7 B20R3.12656 Cc1nc(c2sccc2n1)SCC3CCCCC3 62a_100000211423_100012000418 [0,0,0,0,0,0|3,1,0]=4 8 B20R3.12656 Fc1nc(c2nc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100000061921 [0,0,0,0,0,0|2,0,2]=4 9 B20R3.12656 Fc1nc(c2nc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100000061921 [0,0,0,0,0,0|1,1,2]=4 10 B20R3.12656 Nc1cc(c2cc[nH]c2n1)SCC3CCCCC3 62a_100010168402_100000211423 [0,0,0,0,0,0|2,1,1]=4 11 B20R3.12656 Nc1cc(c2scnc2c1)SCC3CCCCC3 62a_100000211423_200010333430 [0,0,0,0,0,0|3,1,0]=4 12 B20R3.12656 Nc1cc(c2scnc2c1)SCC3CCCCC3 62a_200010333430_100000211423 [0,0,0,0,0,0|3,1,0]=4 13 B20R3.12656 Nc1nc(c-2ccnc2[nH]1)NCC3CCCCC3 27a_100000210473_100000068727 [0,0,0,0,0,0|2,0,1]=3 14 B20R3.12656 Nc1nc(c-2ccnc2[nH]1)NCC3CCCCO3 27a_100000174945_100000068727 [0,0,0,0,0,0|3,0,1]=4 15 B20R3.12656 Nc1nc(c-2ccnc2[nH]1)NCC3CCCOC3 27a_100000720124_100000068727 [0,0,0,0,0,0|3,0,1]=4 16 B20R3.12656 Nc1nc(c-2ccnc2[nH]1)NCC3CCOCC3 27a_100000746373_100000068727 [0,0,0,0,0,0|3,0,1]=4 17 B20R3.12656 Nc1nc(c-2ccnc2[nH]1)NCC3CCSCC3 27a_100015188806_100000068727 [0,0,0,0,0,0|3,0,1]=4 18 B20R3.12656 Nc1nc(c2[nH]ccc2n1)C=CC3CCCCC3 271570a_100016283615_100000093568 [0,0,0,0,0,0|2,0,1]=3 19 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCCCC3 27a_100000210473_100000764887 [0,0,0,0,0,0|1,0,0]=1 20 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCCCO3 27a_100000174945_100000764887 [0,0,0,0,0,0|2,0,0]=2 21 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCCOC3 27a_100000720124_100000764887 [0,0,0,0,0,0|2,0,0]=2 22 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCOCC3 27a_100000746373_100000764887 [0,0,0,0,0,0|2,0,0]=2 23 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NCC3CCSCC3 27a_100015188806_100000764887 [0,0,0,0,0,0|2,0,0]=2 24 B20R3.12656 Nc1nc(c2[nH]cnc2n1)NC[C@H]3COCCO3 27a_100010981119_100000764887 [0,0,0,0,0,0|3,0,0]=3 25 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000211423_100000764887 [0,0,0,0,0,0|0,1,0]=1 26 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000764887_100000211423 [0,0,0,0,0,0|0,1,0]=1 27 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCO3 62a_100000211543_100000764887 [0,0,0,0,0,0|1,1,0]=2 28 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCCO3 62a_100000764887_100000211543 [0,0,0,0,0,0|1,1,0]=2 29 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCOC3 62a_100000741521_100000764887 [0,0,0,0,0,0|1,1,0]=2 30 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCCOC3 62a_100000764887_100000741521 [0,0,0,0,0,0|1,1,0]=2 31 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCOCC3 62a_100000754603_100000764887 [0,0,0,0,0,0|1,1,0]=2 32 B20R3.12656 Nc1nc(c2[nH]cnc2n1)SCC3CCOCC3 62a_100000764887_100000749018 [0,0,0,0,0,0|1,1,0]=2 33 B20R3.12656 Nc1nc(c2c[nH]nc2n1)NCC3CCCCC3 27a_100000210473_100000068426 [0,0,0,0,0,0|3,0,0]=3 34 B20R3.12656 Nc1nc(c2c[nH]nc2n1)NCC3CCCCO3 27a_100000174945_100000068426 [0,0,0,0,0,0|4,0,0]=4 35 B20R3.12656 Nc1nc(c2c[nH]nc2n1)NCC3CCCOC3 27a_100000720124_100000068426 [0,0,0,0,0,0|4,0,0]=4 36 B20R3.12656 Nc1nc(c2c[nH]nc2n1)NCC3CCOCC3 27a_100000746373_100000068426 [0,0,0,0,0,0|4,0,0]=4 37 B20R3.12656 Nc1nc(c2c[nH]nc2n1)NCC3CCSCC3 27a_100015188806_100000068426 [0,0,0,0,0,0|4,0,0]=4 38 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCCC3 62a_100000068426_100000211423 [0,0,0,0,0,0|2,1,0]=3 39 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCCC3 62a_100000211423_100000068426 [0,0,0,0,0,0|2,1,0]=3 40 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCCO3 62a_100000068426_100000211543 [0,0,0,0,0,0|3,1,0]=4 41 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCCO3 62a_100000211543_100000068426 [0,0,0,0,0,0|3,1,0]=4 42 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCOC3 62a_100000068426_100000741521 [0,0,0,0,0,0|3,1,0]=4 43 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCCOC3 62a_100000741521_100000068426 [0,0,0,0,0,0|3,1,0]=4 44 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCOCC3 62a_100000068426_100000749018 [0,0,0,0,0,0|3,1,0]=4 45 B20R3.12656 Nc1nc(c2c[nH]nc2n1)SCC3CCOCC3 62a_100000754603_100000068426 [0,0,0,0,0,0|3,1,0]=4 46 B20R3.12656 Nc1nc(c2nc[nH]c2n1)C=CC3CCCCC3 271570a_100016283615_200000049598 [0,0,0,0,0,0|1,0,3]=4 47 B19R3.19245 C(=CC1CCCCC1)c2ncnc3c2[nH]cc3 271570a_100016283615_100000084117 [1,0,0,0,0,0|2,0,1]=4 48 B19R3.19245 c1cc(c2[nH]ccc2n1)SCC3CCCCC3 62a_100000211423_100000087553 [1,0,0,0,0,0|2,1,0]=4 49 B19R3.19245 c1cc(c2sccc2n1)OCC3CCCCC3 34a_100000759877_100000211423 [1,0,0,0,0,0|3,0,0]=4 50 B19R3.19245 c1cc-2c(nc[nH]c2n1)NCC3CCCCC3 27a_100000210473_100015350423 [1,0,0,0,0,0|2,0,1]=4 51 B19R3.19245 c1cc-2c(nc[nH]c2n1)SCC3CCCCC3 62a_100000211423_100015350423 [1,0,0,0,0,0|1,1,1]=4 52 B19R3.19245 c1cc2cc[nH]c2c(n1)SCC3CCCCC3 62a_100000211423_100000060748 [1,0,0,0,0,0|2,1,0]=4 53 B19R3.19245 c1cc2nn[nH]c2c(n1)SCC3CCCCC3 62a_100000211423_100009840872 [1,0,0,0,0,0|2,1,0]=4 54 B19R3.19245 c1nc(c2[nH]ccc2n1)NCC3CCCCC3 27a_100000210473_100000084117 [1,0,0,0,0,0|2,0,0]=3 55 B19R3.19245 c1nc(c2[nH]ccc2n1)NCC3CCCCO3 27a_100000174945_100000084117 [1,0,0,0,0,0|3,0,0]=4 56 B19R3.19245 c1nc(c2[nH]ccc2n1)NCC3CCCOC3 27a_100000720124_100000084117 [1,0,0,0,0,0|3,0,0]=4 57 B19R3.19245 c1nc(c2[nH]ccc2n1)NCC3CCOCC3 27a_100000746373_100000084117 [1,0,0,0,0,0|3,0,0]=4 58 B19R3.19245 c1nc(c2[nH]ccc2n1)NCC3CCSCC3 27a_100015188806_100000084117 [1,0,0,0,0,0|3,0,0]=4 59 B19R3.19245 c1nc(c2[nH]ccc2n1)SCC3CCCCC3 62a_100000211423_100000084117 [1,0,0,0,0,0|1,1,0]=3 60 B19R3.19245 c1nc(c2[nH]ccc2n1)SCC3CCCCO3 62a_100000211543_100000084117 [1,0,0,0,0,0|2,1,0]=4 61 B19R3.19245 c1nc(c2[nH]ccc2n1)SCC3CCCOC3 62a_100000741521_100000084117 [1,0,0,0,0,0|2,1,0]=4 62 B19R3.19245 c1nc(c2[nH]ccc2n1)SCC3CCOCC3 62a_100000754603_100000084117 [1,0,0,0,0,0|2,1,0]=4 63 B19R3.19245 c1nc(c2[nH]cnc2n1)NCC3CCCCC3 27a_100000210473_100011215200 [1,0,0,0,0,0|1,0,0]=2 64 B19R3.19245 c1nc(c2[nH]cnc2n1)NCC3CCCCO3 27a_100000174945_100011215200 [1,0,0,0,0,0|2,0,0]=3 65 B19R3.19245 c1nc(c2[nH]cnc2n1)NCC3CCCOC3 27a_100000720124_100011215200 [1,0,0,0,0,0|2,0,0]=3 66 B19R3.19245 c1nc(c2[nH]cnc2n1)NCC3CCOCC3 27a_100000746373_100011215200 [1,0,0,0,0,0|2,0,0]=3 67 B19R3.19245 c1nc(c2[nH]cnc2n1)NCC3CCSCC3 27a_100015188806_100011215200 [1,0,0,0,0,0|2,0,0]=3 68 B19R3.19245 c1nc(c2[nH]cnc2n1)NC[C@H]3COCCO3 27a_100010981119_100011215200 [1,0,0,0,0,0|3,0,0]=4 69 B19R3.19245 c1nc(c2[nH]cnc2n1)NN=C3CCCCC3 4a_100000743131_100000210434 [1,0,0,0,0,0|2,0,1]=4 70 B19R3.19245 c1nc(c2[nH]cnc2n1)SCC3CCCCC3 62a_100000211423_100011215200 [1,0,0,0,0,0|0,1,0]=2 71 B19R3.19245 c1nc(c2[nH]cnc2n1)SCC3CCCCO3 62a_100000211543_100011215200 [1,0,0,0,0,0|1,1,0]=3 72 B19R3.19245 c1nc(c2[nH]cnc2n1)SCC3CCCOC3 62a_100000741521_100011215200 [1,0,0,0,0,0|1,1,0]=3 73 B19R3.19245 c1nc(c2[nH]cnc2n1)SCC3CCOCC3 62a_100000754603_100011215200 [1,0,0,0,0,0|1,1,0]=3 74 B19R3.19245 c1nc(c2ccoc2n1)NCC3CCCCC3 27a_100000210473_100000094286 [1,0,0,0,0,0|3,0,0]=4 75 B19R3.19245 c1nc(c2ccoc2n1)SCC3CCCCC3 62a_100000211423_100000094286 [1,0,0,0,0,0|2,1,0]=4 76 B19R3.19245 c1nc(c2ccsc2n1)NCC3CCCCC3 27a_100000210473_100000183654 [1,0,0,0,0,0|3,0,0]=4 77 B19R3.19245 c1nc(c2ccsc2n1)SCC3CCCCC3 62a_100000211423_100000183654 [1,0,0,0,0,0|2,1,0]=4 78 B19R3.19245 c1nc(c2ncsc2n1)NCC3CCCCC3 27a_100000210473_100009860286 [1,0,0,0,0,0|2,0,1]=4 79 B19R3.19245 c1nc(c2ncsc2n1)SCC3CCCCC3 62a_100000211423_100009860286 [1,0,0,0,0,0|1,1,1]=4 80 B19R3.19245 c1nc(c2sccc2n1)NCC3CCCCC3 27a_100000210473_100000234879 [1,0,0,0,0,0|3,0,0]=4 81 B19R3.19245 c1nc(c2sccc2n1)SCC3CCCCC3 62a_100000211423_100000234879 [1,0,0,0,0,0|2,1,0]=4 82 B21R3.19177 CC(Nc1nc(nc2c1[nH]cn2)N)C3=CCCCC3 27a_200015185932_100000764887 [0,1,0,0,0,0|1,0,2]=4 83 B21R3.19177 C[C@@H](Nc1nc([nH]c-2nccc12)N)C3CCCCC3 27a_100025707633_100000068727 [0,1,0,0,0,0|2,0,1]=4 84 B21R3.19177 C[C@@H](Nc1nc(nc2c1[nH]cn2)N)C3CCCCC3 27a_100025707633_100000764887 [0,1,0,0,0,0|1,0,0]=2 85 B21R3.19177 C[C@@H](Nc1nc(nc2c1c[nH]n2)N)C3CCCCC3 27a_100025707633_100000068426 [0,1,0,0,0,0|3,0,0]=4 86 B21R3.19185 CN(CC1CCCCC1)c2nc([nH]c-3nccc23)N 27a_100000736448_100000068727 [0,1,0,0,0,0|2,0,1]=4 87 B21R3.19185 CN(CC1CCCCC1)c2nc(nc3c2[nH]cn3)N 27a_100000736448_100000764887 [0,1,0,0,0,0|1,0,0]=2 88 B21R3.19185 CN(CC1CCCCC1)c2nc(nc3c2c[nH]n3)N 27a_100000736448_100000068426 [0,1,0,0,0,0|3,0,0]=4 89 B21R3.19185 CN(CC1CCCCO1)c2nc(nc3c2[nH]cn3)N 27a_100000225654_100000764887 [0,1,0,0,0,0|2,0,0]=3 90 B21R3.19185 CN(CC1CCOCC1)c2nc(nc3c2[nH]cn3)N 27a_100025706683_100000764887 [0,1,0,0,0,0|2,0,0]=3 91 B21R3.19185 CN(CC1CCSCC1)c2nc(nc3c2[nH]cn3)N 27a_100011935259_100000764887 [0,1,0,0,0,0|2,0,0]=3 92 B21R3.19185 CN(CC1COCCO1)c2nc(nc3c2[nH]cn3)N 27a_100011398995_100000764887 [0,1,0,0,0,0|3,0,0]=4 93 B21R3.234364 Cn1cnc2c1nc(nc2NCC3CCCCC3)N 27a_100000210473_100000708713 [0,1,0,0,0,0|1,0,2]=4 94 B21R3.234364 Cn1cnc2c1nc(nc2SCC3CCCCC3)N 62a_100000211423_100000708713 [0,1,0,0,0,0|0,1,2]=4 95 B21R3.3821304 CN1CCCC(C1)CSc2nc(nc3c2[nH]cn3)N 62a_100000752043_100000764887 [0,1,0,0,0,0|1,1,0]=3 96 B21R3.3821304 CN1CCCC(C1)CSc2nc(nc3c2[nH]cn3)N 62a_100000764887_100000752043 [0,1,0,0,0,0|1,1,0]=3 97 B21R3.3821304 CN1CCC[C@H](C1)CNc2nc(nc3c2[nH]cn3)N 27a_100016993746_100000764887 [0,1,0,0,0,0|2,0,0]=3 98 B21R3.3821304 CN1CCOC(C1)CNc2nc(nc3c2[nH]cn3)N 27a_100000747556_100000764887 [0,1,0,0,0,0|3,0,0]=4 99 B21R3.3821304 Nc1nc(c-2ccnc2[nH]1)NCC3CCCC(C3)O 27a_100011254705_100000068727 [0,1,0,0,0,0|2,0,1]=4 100 B21R3.3821304 Nc1nc(c2[nH]cnc2n1)NCC3CCCC(C3)O 27a_100011254705_100000764887 [0,1,0,0,0,0|1,0,0]=2 101 B21R3.3821304 Nc1nc(c2c[nH]nc2n1)NCC3CCCC(C3)O 27a_100011254705_100000068426 [0,1,0,0,0,0|3,0,0]=4 102 B21R3.3966006 CN1CCCCC1CNc2nc(nc3c2[nH]cn3)N 27a_100011228421_100000764887 [0,1,0,0,0,0|2,0,0]=3 103 B21R3.3966006 CN1CCCCC1CSc2nc(nc3c2[nH]cn3)N 62a_100000764887_100015185383 [0,1,0,0,0,0|1,1,0]=3 104 B21R3.3966006 CN1CCCCC1CSc2nc(nc3c2[nH]cn3)N 62a_100015185383_100000764887 [0,1,0,0,0,0|1,1,0]=3 105 B21R3.3966006 Nc1nc(c-2ccnc2[nH]1)NCC3CCCCC3O 27a_100011216029_100000068727 [0,1,0,0,0,0|2,0,1]=4 106 B21R3.3966006 Nc1nc(c2[nH]cnc2n1)NCC3CCCCC3O 27a_100011216029_100000764887 [0,1,0,0,0,0|1,0,0]=2 107 B21R3.3966006 Nc1nc(c2c[nH]nc2n1)NCC3CCCCC3O 27a_100011216029_100000068426 [0,1,0,0,0,0|3,0,0]=4 108 B21R3.6822635 CC1(CCCCC1)CNc2nc([nH]c-3nccc23)N 27a_100000706052_100000068727 [0,1,0,0,0,0|2,0,1]=4 109 B21R3.6822635 CC1(CCCCC1)CNc2nc(nc3c2[nH]cn3)N 27a_100000706052_100000764887 [0,1,0,0,0,0|1,0,0]=2 110 B21R3.6822635 CC1(CCCCC1)CNc2nc(nc3c2c[nH]n3)N 27a_100000706052_100000068426 [0,1,0,0,0,0|3,0,0]=4 111 B21R3.6822635 CC1(CCOCC1)CNc2nc(nc3c2[nH]cn3)N 27a_100000695556_100000764887 [0,1,0,0,0,0|2,0,0]=3 112 B21R3.6822635 Nc1nc(c-2ccnc2[nH]1)NCC3(CCCCC3)O 27a_100000748649_100000068727 [0,1,0,0,0,0|2,0,1]=4 113 B21R3.6822635 Nc1nc(c2[nH]cnc2n1)NCC3(CCCCC3)O 27a_100000748649_100000764887 [0,1,0,0,0,0|1,0,0]=2 114 B21R3.6822635 Nc1nc(c2[nH]cnc2n1)NCC3(CCOCC3)F 27a_100016991512_100000764887 [0,1,0,0,0,0|2,0,0]=3 115 B21R3.6822635 Nc1nc(c2[nH]cnc2n1)NCC3(CCOCC3)O 27a_100000704115_100000764887 [0,1,0,0,0,0|2,0,0]=3 116 B21R3.6822635 Nc1nc(c2[nH]cnc2n1)NCC3(CCSCC3)O 27a_100000758141_100000764887 [0,1,0,0,0,0|2,0,0]=3 117 B21R3.6822635 Nc1nc(c2c[nH]nc2n1)NCC3(CCCCC3)O 27a_100000748649_100000068426 [0,1,0,0,0,0|3,0,0]=4 118 B21R3.9454399 CC1CCC(CC1)CNc2nc([nH]c-3nccc23)N 27a_103436935547_100000068727 [0,1,0,0,0,0|2,0,1]=4 119 B21R3.9454399 CC1CCC(CC1)CNc2nc(nc3c2[nH]cn3)N 27a_103436935547_100000764887 [0,1,0,0,0,0|1,0,0]=2 120 B21R3.9454399 CC1CCC(CC1)CNc2nc(nc3c2c[nH]n3)N 27a_103436935547_100000068426 [0,1,0,0,0,0|3,0,0]=4 121 B21R3.9454399 CN1CCC(CC1)CNc2nc(nc3c2[nH]cn3)N 27a_100000746316_100000764887 [0,1,0,0,0,0|2,0,0]=3 122 B21R3.9454399 CN1CCC(CC1)CSc2nc(nc3c2[nH]cn3)N 62a_100000764887_100015183002 [0,1,0,0,0,0|1,1,0]=3 123 B21R3.9454399 CN1CCC(CC1)CSc2nc(nc3c2[nH]cn3)N 62a_100015183002_100000764887 [0,1,0,0,0,0|1,1,0]=3 124 B19R2.53686 CCOC(CC)CNc1nc(nc2c1[nH]cn2)N 27a_100015183923_100000764887 [0,0,1,0,0,0|2,0,0]=3 125 B19R2.197864 C#CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100012094781 [0,0,1,0,0,0|0,1,2]=4 126 B19R2.197864 C#CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100012094781_100000764887 [0,0,1,0,0,0|0,1,2]=4 127 B19R2.197864 C=CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000700193_100000764887 [0,0,1,0,0,0|0,1,2]=4 128 B19R2.197864 C=CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000700193 [0,0,1,0,0,0|0,1,2]=4 129 B19R2.197864 CCCCCCC=Cc1nc(nc2c1[nH]cc2)N 271570a_200015348155_100000093568 [0,0,1,0,0,0|2,0,1]=4 130 B19R2.197864 CCCCCCCNc1nc([nH]c-2nccc12)N 27a_100000229938_100000068727 [0,0,1,0,0,0|2,0,1]=4 131 B19R2.197864 CCCCCCCNc1nc(nc2c1[nH]cn2)N 27a_100000229938_100000764887 [0,0,1,0,0,0|1,0,0]=2 132 B19R2.197864 CCCCCCCNc1nc(nc2c1c[nH]n2)N 27a_100000229938_100000068426 [0,0,1,0,0,0|3,0,0]=4 133 B19R2.197864 CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000210614_100000764887 [0,0,1,0,0,0|0,1,0]=2 134 B19R2.197864 CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000210316 [0,0,1,0,0,0|0,1,0]=2 135 B19R2.197864 CCCCCCCSc1nc(nc2c1c[nH]n2)N 62a_100000068426_100000210316 [0,0,1,0,0,0|2,1,0]=4 136 B19R2.197864 CCCCCCCSc1nc(nc2c1c[nH]n2)N 62a_100000210614_100000068426 [0,0,1,0,0,0|2,1,0]=4 137 B19R2.197864 CCCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100000743108_100000764887 [0,0,1,0,0,0|1,1,0]=3 138 B19R2.197864 CCCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000743108 [0,0,1,0,0,0|1,1,0]=3 139 B19R2.197864 CCCCSCCNc1nc(nc2c1[nH]cn2)N 27a_100025743550_100000764887 [0,0,1,0,0,0|2,0,0]=3 140 B19R2.197864 CCCOCCCNc1nc(nc2c1[nH]cn2)N 27a_100011217757_100000764887 [0,0,1,0,0,0|2,0,0]=3 141 B19R2.197864 COCCCCCNc1nc(nc2c1[nH]cn2)N 27a_100000747528_100000764887 [0,0,1,0,0,0|2,0,0]=3 142 B19R2.197864 COCCOCCNc1nc(nc2c1[nH]cn2)N 27a_100000745349_100000764887 [0,0,1,0,0,0|3,0,0]=4 143 B19R2.197864 COCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100000695917_100000764887 [0,0,1,0,0,0|2,1,0]=4 144 B19R2.197864 COCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000695917 [0,0,1,0,0,0|2,1,0]=4 145 B19R2.197864 N#CCCCCCNc1nc(nc2c1[nH]cn2)N 27a_100000061152_100000764887 [0,0,1,0,0,0|2,0,1]=4 146 B19R2.197864 N#CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100009813376 [0,0,1,0,0,0|1,1,1]=4 147 B19R2.197864 N#CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100009813376_100000764887 [0,0,1,0,0,0|1,1,1]=4 148 B19R2.197864 Nc1nc(c2[nH]cnc2n1)NCCCCCCO 27a_100000686447_100000764887 [0,0,1,0,0,0|2,0,0]=3 149 B19R2.197864 Nc1nc(c2[nH]cnc2n1)SCCCCCC=O 62a_100000139337_100000764887 [0,0,1,0,0,0|1,1,1]=4 150 B19R2.197864 Nc1nc(c2[nH]cnc2n1)SCCCCCC=O 62a_100000764887_100000139337 [0,0,1,0,0,0|1,1,1]=4 151 B19R2.197864 Nc1nc(c2[nH]cnc2n1)SCCCCCCF 62a_100000764887_100015922095 [0,0,1,0,0,0|1,1,0]=3 152 B19R2.197864 Nc1nc(c2[nH]cnc2n1)SCCCCCCF 62a_100015922095_100000764887 [0,0,1,0,0,0|1,1,0]=3 153 B19R2.197864 Nc1nc(c2[nH]cnc2n1)SCCCCCCO 62a_100000764887_100000766143 [0,0,1,0,0,0|1,1,0]=3 154 B19R2.197864 Nc1nc(c2[nH]cnc2n1)SCCCCCCO 62a_100000766143_100000764887 [0,0,1,0,0,0|1,1,0]=3 155 B19R2.199827 CCCOC(C)CNc1nc(nc2c1[nH]cn2)N 27a_100015185124_100000764887 [0,0,1,0,0,0|2,0,0]=3 156 B19R2.199827 CCOCC(O)CNc1nc(nc2c1[nH]cn2)N 27a_102515437182_100000764887 [0,0,1,0,0,0|3,0,0]=4 157 B19R2.199827 C[C@H](CCCO)CNc1nc(nc2c1[nH]cn2)N 27a_100160569302_100000764887 [0,0,1,0,0,0|2,0,0]=3 158 B21R4.478349 Nc1nc(c-2ccnc2[nH]1)N3CC4CCC3CC4 27a_100000750499_100000068727 [0,0,0,1,0,0|2,0,1]=4 159 B21R4.478349 Nc1nc(c2[nH]cnc2n1)N3CC4CCC3CC4 27a_100000750499_100000764887 [0,0,0,1,0,0|1,0,0]=2 160 B21R4.478349 Nc1nc(c2c[nH]nc2n1)N3CC4CCC3CC4 27a_100000750499_100000068426 [0,0,0,1,0,0|3,0,0]=4 161 B21R4.478383 Nc1nc(c2[nH]cnc2n1)SC3C4CCC3CC4 62a_100000764887_100009813300 [0,0,0,1,0,0|0,1,0]=2 162 B21R4.478383 Nc1nc(c2[nH]cnc2n1)SC3C4CCC3CC4 62a_100009813300_100000764887 [0,0,0,1,0,0|0,1,0]=2 163 B21R4.478383 Nc1nc(c2c[nH]nc2n1)SC3C4CCC3CC4 62a_100000068426_100009813300 [0,0,0,1,0,0|2,1,0]=4 164 B21R4.478383 Nc1nc(c2c[nH]nc2n1)SC3C4CCC3CC4 62a_100009813300_100000068426 [0,0,0,1,0,0|2,1,0]=4 165 B19R3.284 Nc1nc(c-2ccnc2[nH]1)NC3CCCCC3 27a_100000182618_100000068727 [0,0,0,0,1,0|2,0,1]=4 166 B19R3.284 Nc1nc(c2[nH]cnc2n1)NC3CCCCC3 27a_100000182618_100000764887 [0,0,0,0,1,0|1,0,0]=2 167 B19R3.284 Nc1nc(c2[nH]cnc2n1)NC3CCCOC3 27a_100000719290_100000764887 [0,0,0,0,1,0|2,0,0]=3 168 B19R3.284 Nc1nc(c2[nH]cnc2n1)NC3CCOCC3 27a_100000741149_100000764887 [0,0,0,0,1,0|2,0,0]=3 169 B19R3.284 Nc1nc(c2[nH]cnc2n1)NC3CCSCC3 27a_100000748639_100000764887 [0,0,0,0,1,0|2,0,0]=3 170 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3C=CCCC3 62a_100000751183_100000764887 [0,0,0,0,1,0|0,1,2]=4 171 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3C=CCCC3 62a_100000764887_100000751183 [0,0,0,0,1,0|0,1,2]=4 172 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3 62a_100000210327_100000764887 [0,0,0,0,1,0|0,1,0]=2 173 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3 62a_100000764887_100000210327 [0,0,0,0,1,0|0,1,0]=2 174 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3CCCOC3 62a_100000764887_100000693364 [0,0,0,0,1,0|1,1,0]=3 175 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3CCOCC3 62a_100000764887_100011324220 [0,0,0,0,1,0|1,1,0]=3 176 B19R3.284 Nc1nc(c2[nH]cnc2n1)SC3CCSCC3 62a_100000764887_100000069128 [0,0,0,0,1,0|1,1,0]=3 177 B19R3.284 Nc1nc(c2c[nH]nc2n1)NC3CCCCC3 27a_100000182618_100000068426 [0,0,0,0,1,0|3,0,0]=4 178 B19R3.284 Nc1nc(c2c[nH]nc2n1)SC3CCCCC3 62a_100000068426_100000210327 [0,0,0,0,1,0|2,1,0]=4 179 B19R3.284 Nc1nc(c2c[nH]nc2n1)SC3CCCCC3 62a_100000210327_100000068426 [0,0,0,0,1,0|2,1,0]=4 180 B19R3.8617 Nc1nc(c-2ccnc2[nH]1)NCC3CCCC3 27a_100000737975_100000068727 [0,0,0,0,1,0|2,0,1]=4 181 B19R3.8617 Nc1nc(c2[nH]cnc2n1)NCC3CCCC3 27a_100000737975_100000764887 [0,0,0,0,1,0|1,0,0]=2 182 B19R3.8617 Nc1nc(c2[nH]cnc2n1)NCC3CCOC3 27a_100000737293_100000764887 [0,0,0,0,1,0|2,0,0]=3 183 B19R3.8617 Nc1nc(c2[nH]cnc2n1)NCC3OCCO3 27a_100000036311_100000764887 [0,0,0,0,1,0|3,0,0]=4 184 B19R3.8617 Nc1nc(c2[nH]cnc2n1)NC[C@@H]3CCCO3 27a_100020590478_100000764887 [0,0,0,0,1,0|2,0,0]=3 185 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCCC3 62a_100000740388_100000764887 [0,0,0,0,1,0|0,1,0]=2 186 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCCC3 62a_100000764887_100000740388 [0,0,0,0,1,0|0,1,0]=2 187 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCCO3 62a_100000203698_100000764887 [0,0,0,0,1,0|1,1,0]=3 188 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCCO3 62a_100000764887_100000203698 [0,0,0,0,1,0|1,1,0]=3 189 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCOC3 62a_100000702531_100000764887 [0,0,0,0,1,0|1,1,0]=3 190 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3CCOC3 62a_100000764887_100000702531 [0,0,0,0,1,0|1,1,0]=3 191 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3OCCO3 62a_100000755774_100000764887 [0,0,0,0,1,0|2,1,0]=4 192 B19R3.8617 Nc1nc(c2[nH]cnc2n1)SCC3OCCO3 62a_100000764887_100000755774 [0,0,0,0,1,0|2,1,0]=4 193 B19R3.8617 Nc1nc(c2c[nH]nc2n1)NCC3CCCC3 27a_100000737975_100000068426 [0,0,0,0,1,0|3,0,0]=4 194 B19R3.8617 Nc1nc(c2c[nH]nc2n1)SCC3CCCC3 62a_100000068426_100000740388 [0,0,0,0,1,0|2,1,0]=4 195 B19R3.8617 Nc1nc(c2c[nH]nc2n1)SCC3CCCC3 62a_100000740388_100000068426 [0,0,0,0,1,0|2,1,0]=4 196 B21R3.19179 Nc1nc(c-2ccnc2[nH]1)NCCC3CCCCC3 27a_100000738074_100000068727 [0,0,0,0,0,1|2,0,1]=4 197 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCC3=CCCCC3 27a_100000212019_100000764887 [0,0,0,0,0,1|1,0,2]=4 198 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCC3CCCCC3 27a_100000738074_100000764887 [0,0,0,0,0,1|1,0,0]=2 199 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCC3CCCCO3 27a_100015183643_100000764887 [0,0,0,0,0,1|2,0,0]=3 200 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCC3CCOCC3 27a_100000755988_100000764887 [0,0,0,0,0,1|2,0,0]=3 201 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCN3CCCCC3 27a_100000216509_100000764887 [0,0,0,0,0,1|2,0,0]=3 202 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCN3CCOCC3 27a_100000211067_100000764887 [0,0,0,0,0,1|3,0,0]=4 203 B21R3.19179 Nc1nc(c2[nH]cnc2n1)NCCN3CCSCC3 27a_100000755026_100000764887 [0,0,0,0,0,1|3,0,0]=4 204 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3CCCCC3 62a_100000764887_100012355289 [0,0,0,0,0,1|0,1,0]=2 205 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3CCCCC3 62a_100012355289_100000764887 [0,0,0,0,0,1|0,1,0]=2 206 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3CCOCC3 62a_100000764887_100011934994 [0,0,0,0,0,1|1,1,0]=3 207 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3CCOCC3 62a_100011934994_100000764887 [0,0,0,0,0,1|1,1,0]=3 208 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3OCCCO3 62a_100000764188_100000764887 [0,0,0,0,0,1|2,1,0]=4 209 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCC3OCCCO3 62a_100000764887_100000764188 [0,0,0,0,0,1|2,1,0]=4 210 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCN3CCCCC3 62a_100000739454_100000764887 [0,0,0,0,0,1|1,1,0]=3 211 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCN3CCCCC3 62a_100000764887_100000739454 [0,0,0,0,0,1|1,1,0]=3 212 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCCN3CCOCC3 62a_100000764887_100000211760 [0,0,0,0,0,1|2,1,0]=4 213 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCOC3CCCCC3 62a_100000764887_100011935260 [0,0,0,0,0,1|0,1,0]=2 214 B21R3.19179 Nc1nc(c2[nH]cnc2n1)SCOC3CCCCC3 62a_100011935260_100000764887 [0,0,0,0,0,1|0,1,0]=2 215 B21R3.19179 Nc1nc(c2c[nH]nc2n1)NCCC3CCCCC3 27a_100000738074_100000068426 [0,0,0,0,0,1|3,0,0]=4 216 B21R3.19179 Nc1nc(c2c[nH]nc2n1)SCCC3CCCCC3 62a_100000068426_100012355289 [0,0,0,0,0,1|2,1,0]=4 217 B21R3.19179 Nc1nc(c2c[nH]nc2n1)SCCC3CCCCC3 62a_100012355289_100000068426 [0,0,0,0,0,1|2,1,0]=4 218 B21R3.19179 Nc1nc(c2c[nH]nc2n1)SCOC3CCCCC3 62a_100000068426_100011935260 [0,0,0,0,0,1|2,1,0]=4 219 B21R3.19179 Nc1nc(c2c[nH]nc2n1)SCOC3CCCCC3 62a_100011935260_100000068426 [0,0,0,0,0,1|2,1,0]=4 220 B21R3.19514 Nc1cc2cnccc2c(n1)SCC3CCCCC3 62a_100000211423_100000690061 [0,0,0,0,0,1|2,1,0]=4 221 B21R3.19514 Nc1cc2cnccc2c(n1)SCC3CCCCC3 62a_100000690061_100000211423 [0,0,0,0,0,1|2,1,0]=4 222 B21R3.409096 Nc1nc(c-2ccnc2[nH]1)NCC3CCCCCC3 27a_100015204231_100000068727 [0,0,0,0,0,1|2,0,1]=4 223 B21R3.409096 Nc1nc(c2[nH]cnc2n1)NCC3CCCCCC3 27a_100015204231_100000764887 [0,0,0,0,0,1|1,0,0]=2 224 B21R3.409096 Nc1nc(c2[nH]cnc2n1)SCC3CCCCCC3 62a_100000764887_200000696569 [0,0,0,0,0,1|0,1,0]=2 225 B21R3.409096 Nc1nc(c2[nH]cnc2n1)SCC3CCCCCC3 62a_200000696569_100000764887 [0,0,0,0,0,1|0,1,0]=2 226 B21R3.409096 Nc1nc(c2c[nH]nc2n1)NCC3CCCCCC3 27a_100015204231_100000068426 [0,0,0,0,0,1|3,0,0]=4 227 B21R3.409096 Nc1nc(c2c[nH]nc2n1)SCC3CCCCCC3 62a_100000068426_200000696569 [0,0,0,0,0,1|2,1,0]=4 228 B21R3.409096 Nc1nc(c2c[nH]nc2n1)SCC3CCCCCC3 62a_200000696569_100000068426 [0,0,0,0,0,1|2,1,0]=4 229 B18R2.154 NNc1cc(nc(n1)N)SCC2CCCCC2 62a_100000696133_100000211423 [1,0,1,0,0,0|0,1,1]=4 230 B18R2.12659 Nc1nc(c(c(n1)SCC2CCCCC2)N)N 62a_100000102768_100000211423 [1,0,1,0,0,0|0,1,1]=4 231 B18R2.34616 CCOC(CC)CNc1ncnc2c1[nH]cn2 27a_100015183923_100011215200 [1,0,1,0,0,0|2,0,0]=4 232 B18R2.69417 CCC(CC)CNc1nc(nc2c1[nH]cn2)N 27a_100102946423_100000764887 [1,0,1,0,0,0|1,0,0]=3 233 B18R2.69417 CCC(CC)CSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011215472 [1,0,1,0,0,0|0,1,0]=3 234 B18R2.69417 CCC(CC)CSc1nc(nc2c1[nH]cn2)N 62a_100011215472_100000764887 [1,0,1,0,0,0|0,1,0]=3 235 B18R2.69417 CCC(CNc1nc(nc2c1[nH]cn2)N)OC 27a_100000731041_100000764887 [1,0,1,0,0,0|2,0,0]=4 236 B18R2.81161 CCCC(C)CSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011216630 [1,0,1,0,0,0|0,1,0]=3 237 B18R2.81161 CCCC(C)CSc1nc(nc2c1[nH]cn2)N 62a_100011216630_100000764887 [1,0,1,0,0,0|0,1,0]=3 238 B18R2.73847 CCCCCCCNc1ncnc2c1[nH]cc2 27a_100000229938_100000084117 [1,0,1,0,0,0|2,0,0]=4 239 B18R2.73847 CCCCCCCNc1ncnc2c1[nH]cn2 27a_100000229938_100011215200 [1,0,1,0,0,0|1,0,0]=3 240 B18R2.73847 CCCCCCCSc1ncnc2c1[nH]cc2 62a_100000210614_100000084117 [1,0,1,0,0,0|1,1,0]=4 241 B18R2.73847 CCCCCCCSc1ncnc2c1[nH]cn2 62a_100000210614_100011215200 [1,0,1,0,0,0|0,1,0]=3 242 B18R2.73847 CCCCOCCSc1ncnc2c1[nH]cn2 62a_100000743108_100011215200 [1,0,1,0,0,0|1,1,0]=4 243 B18R2.73847 CCCCSCCNc1ncnc2c1[nH]cn2 27a_100025743550_100011215200 [1,0,1,0,0,0|2,0,0]=4 244 B18R2.73847 CCCOCCCNc1ncnc2c1[nH]cn2 27a_100011217757_100011215200 [1,0,1,0,0,0|2,0,0]=4 245 B18R2.73847 COCCCCCNc1ncnc2c1[nH]cn2 27a_100000747528_100011215200 [1,0,1,0,0,0|2,0,0]=4 246 B18R2.73847 FCCCCCCSc1ncnc2c1[nH]cn2 62a_100015922095_100011215200 [1,0,1,0,0,0|1,1,0]=4 247 B18R2.73847 OCCCCCCNc1ncnc2c1[nH]cn2 27a_100000686447_100011215200 [1,0,1,0,0,0|2,0,0]=4 248 B18R2.73847 OCCCCCCSc1ncnc2c1[nH]cn2 62a_100000766143_100011215200 [1,0,1,0,0,0|1,1,0]=4 249 B18R2.99369 CCCCCCNc1nc(nc2c1[nH]cn2)N 27a_100000210581_100000764887 [1,0,1,0,0,0|1,0,0]=3 250 B18R2.99369 CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000210314_100000764887 [1,0,1,0,0,0|0,1,0]=3 251 B18R2.99369 CCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000210757 [1,0,1,0,0,0|0,1,0]=3 252 B18R2.99369 CCCCOCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011995733 [1,0,1,0,0,0|1,1,0]=4 253 B18R2.99369 CCCCOCSc1nc(nc2c1[nH]cn2)N 62a_100011995733_100000764887 [1,0,1,0,0,0|1,1,0]=4 254 B18R2.99369 CCCOCCNc1nc(nc2c1[nH]cn2)N 27a_100161115042_100000764887 [1,0,1,0,0,0|2,0,0]=4 255 B18R2.99369 CCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011215938 [1,0,1,0,0,0|1,1,0]=4 256 B18R2.99369 CCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100011215938_100000764887 [1,0,1,0,0,0|1,1,0]=4 257 B18R2.99369 CCCSCCNc1nc(nc2c1[nH]cn2)N 27a_100020603323_100000764887 [1,0,1,0,0,0|2,0,0]=4 258 B18R2.99369 CCOCCCNc1nc(nc2c1[nH]cn2)N 27a_100000210961_100000764887 [1,0,1,0,0,0|2,0,0]=4 259 B18R2.99369 CCOCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100012232248 [1,0,1,0,0,0|1,1,0]=4 260 B18R2.99369 CCOCCCSc1nc(nc2c1[nH]cn2)N 62a_100012232248_100000764887 [1,0,1,0,0,0|1,1,0]=4 261 B18R2.99369 COCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000730899_100000764887 [1,0,1,0,0,0|1,1,0]=4 262 B18R2.99369 COCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000730899 [1,0,1,0,0,0|1,1,0]=4 263 B18R2.99369 Nc1nc(c2[nH]cnc2n1)NCCCCCO 27a_100000762737_100000764887 [1,0,1,0,0,0|2,0,0]=4 264 B18R2.99369 Nc1nc(c2[nH]cnc2n1)SCCCCCF 62a_100000729378_100000764887 [1,0,1,0,0,0|1,1,0]=4 265 B18R2.99369 Nc1nc(c2[nH]cnc2n1)SCCCCCF 62a_100000764887_100000729378 [1,0,1,0,0,0|1,1,0]=4 266 B18R2.99369 Nc1nc(c2[nH]cnc2n1)SCCCCCO 62a_100000746330_100000764887 [1,0,1,0,0,0|1,1,0]=4 267 B18R2.99369 Nc1nc(c2[nH]cnc2n1)SCCCCCO 62a_100000764887_100000746330 [1,0,1,0,0,0|1,1,0]=4 268 B18R2.123403 CCCOC(C)CNc1ncnc2c1[nH]cn2 27a_100015185124_100011215200 [1,0,1,0,0,0|2,0,0]=4 269 B18R2.123403 C[C@H](CCCO)CNc1ncnc2c1[nH]cn2 27a_100160569302_100011215200 [1,0,1,0,0,0|2,0,0]=4 270 B20R2.910394 CCOC(CNc1nc(nc2c1[nH]cn2)N)OCC 27a_100000211098_100000764887 [0,1,1,0,0,0|2,0,0]=4 271 B20R2.910394 CCOC(CSc1nc(nc2c1[nH]cn2)N)OCC 62a_100000210512_100000764887 [0,1,1,0,0,0|1,1,0]=4 272 B20R2.910394 CCOC(CSc1nc(nc2c1[nH]cn2)N)OCC 62a_100000764887_100000210512 [0,1,1,0,0,0|1,1,0]=4 273 B20R2.913967 CCCC(CNc1nc(nc2c1[nH]cn2)N)N(C)C 27a_200000245711_100000764887 [0,1,1,0,0,0|2,0,0]=4 274 B20R2.1335214 CCC(CNc1nc(nc2c1[nH]cn2)N)N(C)CC 27a_100011281651_100000764887 [0,1,1,0,0,0|2,0,0]=4 275 B20R2.2140722 CC(C)CC(CO)CNc1nc(nc2c1[nH]cn2)N 27a_200000723437_100000764887 [0,1,1,0,0,0|2,0,0]=4 276 B20R2.2216536 CCCCC(CC)CNc1nc(nc2c1[nH]cn2)N 27a_100000209976_100000764887 [0,1,1,0,0,0|1,0,0]=3 277 B20R2.2216536 CCCCC(CC)CSc1nc(nc2c1[nH]cn2)N 62a_100000211942_100000764887 [0,1,1,0,0,0|0,1,0]=3 278 B20R2.2216536 CCCCC(CC)CSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000211942 [0,1,1,0,0,0|0,1,0]=3 279 B20R2.8474 CC(C)CCCCCNc1nc(nc2c1[nH]cn2)N 27a_100011290863_100000764887 [0,1,1,0,0,0|1,0,0]=3 280 B20R2.8474 CC(C)CCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000210682_100000764887 [0,1,1,0,0,0|0,1,0]=3 281 B20R2.8474 CC(C)CCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000210682 [0,1,1,0,0,0|0,1,0]=3 282 B20R2.8474 CC(C)COCCCNc1nc(nc2c1[nH]cn2)N 27a_100000205972_100000764887 [0,1,1,0,0,0|2,0,0]=4 283 B20R2.8474 CN(C)CCCCCNc1nc(nc2c1[nH]cn2)N 27a_100020635752_100000764887 [0,1,1,0,0,0|2,0,0]=4 284 B20R2.89331 C#CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100012276617 [0,1,1,0,0,0|0,1,1]=4 285 B20R2.89331 C#CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100012276617_100000764887 [0,1,1,0,0,0|0,1,1]=4 286 B20R2.89331 C=CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011215473 [0,1,1,0,0,0|0,1,1]=4 287 B20R2.89331 C=CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100011215473_100000764887 [0,1,1,0,0,0|0,1,1]=4 288 B20R2.89331 CCCCCC#CCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100009816472 [0,1,1,0,0,0|0,1,1]=4 289 B20R2.89331 CCCCCC#CCSc1nc(nc2c1[nH]cn2)N 62a_100009816472_100000764887 [0,1,1,0,0,0|0,1,1]=4 290 B20R2.89331 CCCCCCCC=Cc1nc(nc2c1[nH]cc2)N 271570a_100134823654_100000093568 [0,1,1,0,0,0|2,0,0]=4 291 B20R2.89331 CCCCCCCCNc1nc(nc2c1[nH]cn2)N 27a_100000229939_100000764887 [0,1,1,0,0,0|1,0,0]=3 292 B20R2.89331 CCCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000210759_100000764887 [0,1,1,0,0,0|0,1,0]=3 293 B20R2.89331 CCCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100000210317 [0,1,1,0,0,0|0,1,0]=3 294 B20R2.89331 CCCCOCCCNc1nc(nc2c1[nH]cn2)N 27a_200000211371_100000764887 [0,1,1,0,0,0|1,0,0]=3 295 B20R2.89331 CCOCCOCCNc1nc(nc2c1[nH]cn2)N 27a_100102712874_100000764887 [0,1,1,0,0,0|2,0,0]=4 296 B20R2.89331 CCOCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011211534 [0,1,1,0,0,0|1,1,0]=4 297 B20R2.89331 CCOCCOCCSc1nc(nc2c1[nH]cn2)N 62a_100011211534_100000764887 [0,1,1,0,0,0|1,1,0]=4 298 B20R2.89331 COCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011998445 [0,1,1,0,0,0|0,1,0]=3 299 B20R2.89331 COCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100011998445_100000764887 [0,1,1,0,0,0|0,1,0]=3 300 B20R2.89331 COCCOCCCNc1nc(nc2c1[nH]cn2)N 27a_100000206027_100000764887 [0,1,1,0,0,0|2,0,0]=4 301 B20R2.89331 COCCOCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011216529 [0,1,1,0,0,0|1,1,0]=4 302 B20R2.89331 COCCOCCCSc1nc(nc2c1[nH]cn2)N 62a_100011216529_100000764887 [0,1,1,0,0,0|1,1,0]=4 303 B20R2.89331 N#CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100000764887_100009813337 [0,1,1,0,0,0|0,1,1]=4 304 B20R2.89331 N#CCCCCCCSc1nc(nc2c1[nH]cn2)N 62a_100009813337_100000764887 [0,1,1,0,0,0|0,1,1]=4 305 B20R2.89331 Nc1nc(c2[nH]cnc2n1)NCCCCCCCO 27a_100011996573_100000764887 [0,1,1,0,0,0|1,0,0]=3 306 B20R2.89331 Nc1nc(c2[nH]cnc2n1)NCCCOCCCO 27a_100011310245_100000764887 [0,1,1,0,0,0|2,0,0]=4 307 B20R2.89331 Nc1nc(c2[nH]cnc2n1)SCCCCCCCO 62a_100000760002_100000764887 [0,1,1,0,0,0|0,1,0]=3 308 B20R2.89331 Nc1nc(c2[nH]cnc2n1)SCCCCCCCO 62a_100000764887_100000760002 [0,1,1,0,0,0|0,1,0]=3 309 B20R2.318243 CCCCN(C)CCNc1nc(nc2c1[nH]cn2)N 27a_200000754967_100000764887 [0,1,1,0,0,0|2,0,0]=4 310 B20R2.335974 CCCCCC(=O)CSc1nc(nc2c1[nH]cn2)N 62a_100000764887_200012276598 [0,1,1,0,0,0|0,1,1]=4 311 B20R2.335974 CCCCCC(=O)CSc1nc(nc2c1[nH]cn2)N 62a_200012276598_100000764887 [0,1,1,0,0,0|0,1,1]=4 312 B20R2.2394992 CCCCCCC(C)Nc1nc(nc2c1[nH]cn2)N 27a_100000210919_100000764887 [0,1,1,0,0,0|1,0,0]=3 313 B20R2.2394992 CCCCCCC(C)Sc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011215978 [0,1,1,0,0,0|0,1,0]=3 314 B20R2.2394992 CCCCCCC(C)Sc1nc(nc2c1[nH]cn2)N 62a_100011215978_100000764887 [0,1,1,0,0,0|0,1,0]=3 315 B20R2.2743693 CCCCCCCN(C)c1nc(nc2c1[nH]cn2)N 27a_100000228206_100000764887 [0,1,1,0,0,0|1,0,0]=3 316 B20R2.202164 CCN(C)CC(C)CNc1nc(nc2c1[nH]cn2)N 27a_100011281616_100000764887 [0,1,1,0,0,0|2,0,0]=4 317 B20R2.2653728 CCCC[Si](C)(C)CSc1nc(nc2c1[nH]cn2)N 62a_100000764887_200000073895 [0,1,1,0,0,0|0,2,0]=4 318 B20R2.2653728 CCCC[Si](C)(C)CSc1nc(nc2c1[nH]cn2)N 62a_200000073895_100000764887 [0,1,1,0,0,0|0,2,0]=4 319 B20R3.13423 CN1CCCCC1CNc2ncnc3c2[nH]cn3 27a_100011228421_100011215200 [1,1,0,0,0,0|2,0,0]=4 320 B20R3.13423 CN1CCCCC1CSc2ncnc3c2[nH]cn3 62a_100015185383_100011215200 [1,1,0,0,0,0|1,1,0]=4 321 B20R3.13423 OC1CCCCC1CNc2ncnc3c2[nH]cc3 27a_100011216029_100000084117 [1,1,0,0,0,0|2,0,0]=4 322 B20R3.13423 OC1CCCCC1CNc2ncnc3c2[nH]cn3 27a_100011216029_100011215200 [1,1,0,0,0,0|1,0,0]=3 323 B20R3.19885 CC1CCC(CC1)CNc2ncnc3c2[nH]cc3 27a_103436935547_100000084117 [1,1,0,0,0,0|2,0,0]=4 324 B20R3.19885 CC1CCC(CC1)CNc2ncnc3c2[nH]cn3 27a_103436935547_100011215200 [1,1,0,0,0,0|1,0,0]=3 325 B20R3.19885 CN1CCC(CC1)CNc2ncnc3c2[nH]cn3 27a_100000746316_100011215200 [1,1,0,0,0,0|2,0,0]=4 326 B20R3.19885 CN1CCC(CC1)CSc2ncnc3c2[nH]cn3 62a_100015183002_100011215200 [1,1,0,0,0,0|1,1,0]=4 327 B20R3.91480 CN1CCCC(C1)CSc2ncnc3c2[nH]cn3 62a_100000752043_100011215200 [1,1,0,0,0,0|1,1,0]=4 328 B20R3.91480 CN1CCC[C@H](C1)CNc2ncnc3c2[nH]cn3 27a_100016993746_100011215200 [1,1,0,0,0,0|2,0,0]=4 329 B20R3.91480 OC1CCCC(C1)CNc2ncnc3c2[nH]cc3 27a_100011254705_100000084117 [1,1,0,0,0,0|2,0,0]=4 330 B20R3.91480 OC1CCCC(C1)CNc2ncnc3c2[nH]cn3 27a_100011254705_100011215200 [1,1,0,0,0,0|1,0,0]=3 331 B20R3.331218 CN(CC1CCCCC1)c2ncnc3c2[nH]cc3 27a_100000736448_100000084117 [1,1,0,0,0,0|2,0,0]=4 332 B20R3.331218 CN(CC1CCCCC1)c2ncnc3c2[nH]cn3 27a_100000736448_100011215200 [1,1,0,0,0,0|1,0,0]=3 333 B20R3.331218 CN(CC1CCCCO1)c2ncnc3c2[nH]cn3 27a_100000225654_100011215200 [1,1,0,0,0,0|2,0,0]=4 334 B20R3.331218 CN(CC1CCOCC1)c2ncnc3c2[nH]cn3 27a_100025706683_100011215200 [1,1,0,0,0,0|2,0,0]=4 335 B20R3.331218 CN(CC1CCSCC1)c2ncnc3c2[nH]cn3 27a_100011935259_100011215200 [1,1,0,0,0,0|2,0,0]=4 336 B20R3.331576 C[C@@H](Nc1ncnc2c1[nH]cc2)C3CCCCC3 27a_100025707633_100000084117 [1,1,0,0,0,0|2,0,0]=4 337 B20R3.331576 C[C@@H](Nc1ncnc2c1[nH]cn2)C3CCCCC3 27a_100025707633_100011215200 [1,1,0,0,0,0|1,0,0]=3 338 B20R3.3240834 CC1(CCCCC1)CNc2ncnc3c2[nH]cc3 27a_100000706052_100000084117 [1,1,0,0,0,0|2,0,0]=4 339 B20R3.3240834 CC1(CCCCC1)CNc2ncnc3c2[nH]cn3 27a_100000706052_100011215200 [1,1,0,0,0,0|1,0,0]=3 340 B20R3.3240834 CC1(CCOCC1)CNc2ncnc3c2[nH]cn3 27a_100000695556_100011215200 [1,1,0,0,0,0|2,0,0]=4 341 B20R3.3240834 FC1(CCOCC1)CNc2ncnc3c2[nH]cn3 27a_100016991512_100011215200 [1,1,0,0,0,0|2,0,0]=4 342 B20R3.3240834 OC1(CCCCC1)CNc2ncnc3c2[nH]cc3 27a_100000748649_100000084117 [1,1,0,0,0,0|2,0,0]=4 343 B20R3.3240834 OC1(CCCCC1)CNc2ncnc3c2[nH]cn3 27a_100000748649_100011215200 [1,1,0,0,0,0|1,0,0]=3 344 B20R3.3240834 OC1(CCOCC1)CNc2ncnc3c2[nH]cn3 27a_100000704115_100011215200 [1,1,0,0,0,0|2,0,0]=4 345 B20R3.3240834 OC1(CCSCC1)CNc2ncnc3c2[nH]cn3 27a_100000758141_100011215200 [1,1,0,0,0,0|2,0,0]=4 346 B20R3.3278134 Cn1ccc2c1c(ncn2)NCC3CCCCC3 27a_100000210473_100009847513 [1,1,0,0,0,0|2,0,0]=4 347 B20R3.3278134 Cn1ccc2c1c(ncn2)SCC3CCCCC3 62a_100000211423_100009847513 [1,1,0,0,0,0|1,1,0]=4 348 B20R3.3278134 Cn1cnc2c1c(ncc2)SCC3CCCCC3 62a_100000211423_200010979149 [1,1,0,0,0,0|1,1,0]=4 349 B20R3.3278134 Cn1cnc2c1c(ncn2)C=CC3CCCCC3 271570a_100016283615_100000078800 [1,1,0,0,0,0|1,0,1]=4 350 B20R3.3278134 Cn1cnc2c1c(ncn2)NCC3CCCCC3 27a_100000210473_100000078800 [1,1,0,0,0,0|1,0,0]=3 351 B20R3.3278134 Cn1cnc2c1c(ncn2)NCC3CCCCO3 27a_100000174945_100000078800 [1,1,0,0,0,0|2,0,0]=4 352 B20R3.3278134 Cn1cnc2c1c(ncn2)NCC3CCCOC3 27a_100000720124_100000078800 [1,1,0,0,0,0|2,0,0]=4 353 B20R3.3278134 Cn1cnc2c1c(ncn2)NCC3CCOCC3 27a_100000746373_100000078800 [1,1,0,0,0,0|2,0,0]=4 354 B20R3.3278134 Cn1cnc2c1c(ncn2)NCC3CCSCC3 27a_100015188806_100000078800 [1,1,0,0,0,0|2,0,0]=4 355 B20R3.3278134 Cn1cnc2c1c(ncn2)SCC3CCCCC3 62a_100000211423_100000078800 [1,1,0,0,0,0|0,1,0]=3 356 B20R3.3278134 Cn1cnc2c1c(ncn2)SCC3CCCCO3 62a_100000211543_100000078800 [1,1,0,0,0,0|1,1,0]=4 357 B20R3.3278134 Cn1cnc2c1c(ncn2)SCC3CCCOC3 62a_100000741521_100000078800 [1,1,0,0,0,0|1,1,0]=4 358 B20R3.3278134 Cn1cnc2c1c(ncn2)SCC3CCOCC3 62a_100000754603_100000078800 [1,1,0,0,0,0|1,1,0]=4 359 B20R3.12663 CN(c1nc(nc2c1[nH]cn2)N)C3CCCCC3 27a_100000207522_100000764887 [0,1,0,0,1,0|1,0,0]=3 360 B20R3.12663 CN(c1nc(nc2c1[nH]cn2)N)C3CCOCC3 27a_100020587155_100000764887 [0,1,0,0,1,0|2,0,0]=4 361 B20R3.12663 CN(c1nc(nc2c1[nH]cn2)N)C3CCSCC3 27a_100015184757_100000764887 [0,1,0,0,1,0|2,0,0]=4 362 B20R3.2789705 CC1CCCC(C1)Nc2nc(nc3c2[nH]cn3)N 27a_100011194320_100000764887 [0,1,0,0,1,0|1,0,0]=3 363 B20R3.2789705 CN1CCC[C@@H](C1)Nc2nc(nc3c2[nH]cn3)N 27a_100016992120_100000764887 [0,1,0,0,1,0|2,0,0]=4 364 B20R3.2789705 Nc1nc(c2[nH]cnc2n1)NC3CCCC(C3)O 27a_100015190357_100000764887 [0,1,0,0,1,0|1,0,0]=3 365 B20R3.4473607 CC1(CCOCC1)Nc2nc(nc3c2[nH]cn3)N 27a_100000692449_100000764887 [0,1,0,0,1,0|2,0,0]=4 366 B20R3.4714706 CC1CCCCC1Nc2nc(nc3c2[nH]cn3)N 27a_100000211402_100000764887 [0,1,0,0,1,0|1,0,0]=3 367 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)N[C@@H]3CCCC[C@@H]3O 27a_100015191688_100000764887 [0,1,0,0,1,0|1,0,0]=3 368 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)N[C@@H]3CCCC[C@H]3F 27a_100015195156_100000764887 [0,1,0,0,1,0|1,0,0]=3 369 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)N[C@@H]3CCOC[C@@H]3O 27a_100016994285_100000764887 [0,1,0,0,1,0|2,0,0]=4 370 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)N[C@H]3CCOC[C@@H]3F 27a_100016994078_100000764887 [0,1,0,0,1,0|2,0,0]=4 371 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)N[C@H]3COCC[C@@H]3O 27a_100015739063_100000764887 [0,1,0,0,1,0|2,0,0]=4 372 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3=O 62a_100000204591_100000764887 [0,1,0,0,1,0|0,1,1]=4 373 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3=O 62a_100000764887_100000204591 [0,1,0,0,1,0|0,1,1]=4 374 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3F 62a_100000764887_100015423560 [0,1,0,0,1,0|0,1,0]=3 375 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3F 62a_100015423560_100000764887 [0,1,0,0,1,0|0,1,0]=3 376 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3O 62a_100000038908_100000764887 [0,1,0,0,1,0|0,1,0]=3 377 B20R3.4714706 Nc1nc(c2[nH]cnc2n1)SC3CCCCC3O 62a_100000764887_100000038908 [0,1,0,0,1,0|0,1,0]=3 378 B20R3.5840705 CC1CCC(CC1)Sc2nc(nc3c2[nH]cn3)N 62a_100000764887_200011216234 [0,1,0,0,1,0|0,1,0]=3 379 B20R3.5840705 CN1CCC(CC1)Nc2nc(nc3c2[nH]cn3)N 27a_100000198570_100000764887 [0,1,0,0,1,0|2,0,0]=4 380 B20R3.5840705 CN1CCC(CC1)Sc2nc(nc3c2[nH]cn3)N 62a_100000764887_100011215917 [0,1,0,0,1,0|1,1,0]=4 381 B20R3.5840705 C[C@H]1CC[C@@H](CC1)Nc2nc(nc3c2[nH]cn3)N 27a_100020625639_100000764887 [0,1,0,0,1,0|1,0,0]=3 382 B20R3.5840705 Nc1nc(c2[nH]cnc2n1)N[C@H]3CC[C@H](CC3)O 27a_100020628982_100000764887 [0,1,0,0,1,0|1,0,0]=3 383 B20R3.12657 CC(Nc1nc(nc2c1[nH]cn2)N)C3CCCC3 27a_100015185923_100000764887 [0,1,0,0,1,0|1,0,0]=3 384 B20R3.12657 CC(Nc1nc(nc2c1[nH]cn2)N)C3CCCO3 27a_100025754208_100000764887 [0,1,0,0,1,0|2,0,0]=4 385 B20R3.12660 CN(CC1CCCO1)c2nc(nc3c2[nH]cn3)N 27a_100102946541_100000764887 [0,1,0,0,1,0|2,0,0]=4 386 B20R3.12660 CN(CC1CCOC1)c2nc(nc3c2[nH]cn3)N 27a_100000684583_100000764887 [0,1,0,0,1,0|2,0,0]=4 387 B20R3.2742696 CN1CCC(C1)CNc2nc(nc3c2[nH]cn3)N 27a_100000742581_100000764887 [0,1,0,0,1,0|2,0,0]=4 388 B20R3.2742696 CN1CCC(C1)CSc2nc(nc3c2[nH]cn3)N 62a_100000764887_200000690779 [0,1,0,0,1,0|1,1,0]=4 389 B20R3.2742696 CN1CCC(C1)CSc2nc(nc3c2[nH]cn3)N 62a_200000690779_100000764887 [0,1,0,0,1,0|1,1,0]=4 390 B20R3.2907963 CN1CCC[C@H]1CNc2nc(nc3c2[nH]cn3)N 27a_100009821018_100000764887 [0,1,0,0,1,0|2,0,0]=4 391 B20R3.4473588 Nc1nc(c2[nH]cnc2n1)NCC3(CCCC3)O 27a_100000737848_100000764887 [0,1,0,0,1,0|1,0,0]=3 392 B22R3.28584 CC(CN1CCCCC1)Nc2nc(nc3c2[nH]cn3)N 27a_100000738326_100000764887 [0,1,0,0,0,1|2,0,0]=4 393 B22R3.28584 CC(CN1CCCCC1)Sc2nc(nc3c2[nH]cn3)N 62a_100000764887_100009831500 [0,1,0,0,0,1|1,1,0]=4 394 B22R3.28584 CC(CN1CCCCC1)Sc2nc(nc3c2[nH]cn3)N 62a_100009831500_100000764887 [0,1,0,0,0,1|1,1,0]=4 395 B22R3.28589 CN(CCC1CCCCO1)c2nc(nc3c2[nH]cn3)N 27a_100015183322_100000764887 [0,1,0,0,0,1|2,0,0]=4 396 B22R3.28598 Nc1nc(c2[nH]cnc2n1)NCC(=O)N3CCCCC3 27a_100000751303_100000764887 [0,1,0,0,0,1|2,0,0]=4 397 B22R3.28598 Nc1nc(c2[nH]cnc2n1)SCC(=O)C3CCCCC3 62a_100000241979_100000764887 [0,1,0,0,0,1|0,1,0]=3 398 B22R3.28598 Nc1nc(c2[nH]cnc2n1)SCC(=O)C3CCCCC3 62a_100000764887_100000241979 [0,1,0,0,0,1|0,1,0]=3 399 B22R3.28598 Nc1nc(c2[nH]cnc2n1)SCC(=O)C3CCOCC3 62a_100000689883_100000764887 [0,1,0,0,0,1|1,1,0]=4 400 B22R3.28598 Nc1nc(c2[nH]cnc2n1)SCC(=O)C3CCOCC3 62a_100000764887_100000689883 [0,1,0,0,0,1|1,1,0]=4 401 B22R3.28598 Nc1nc(c2[nH]cnc2n1)SCC(=O)N3CCCCC3 62a_100000183409_100000764887 [0,1,0,0,0,1|1,1,0]=4 402 B22R3.28598 Nc1nc(c2[nH]cnc2n1)SCC(=O)N3CCCCC3 62a_100000764887_100000183409 [0,1,0,0,0,1|1,1,0]=4 403 B22R3.5453459 CC1CCCN(C1)CCNc2nc(nc3c2[nH]cn3)N 27a_100000739826_100000764887 [0,1,0,0,0,1|2,0,0]=4 404 B22R3.5453459 CC1CCCN(C1)CCSc2nc(nc3c2[nH]cn3)N 62a_100000764887_100000766211 [0,1,0,0,0,1|1,1,0]=4 405 B22R3.5453459 CN1CCCC(C1)CCNc2nc(nc3c2[nH]cn3)N 27a_100011919708_100000764887 [0,1,0,0,0,1|2,0,0]=4 406 B22R3.6681984 CC1CCCCN1CCNc2nc(nc3c2[nH]cn3)N 27a_100000739827_100000764887 [0,1,0,0,0,1|2,0,0]=4 407 B22R3.6681984 CN1CCCCC1CCSc2nc(nc3c2[nH]cn3)N 62a_100000211948_100000764887 [0,1,0,0,0,1|1,1,0]=4 408 B22R3.6681984 CN1CCCCC1CCSc2nc(nc3c2[nH]cn3)N 62a_100000764887_100000211948 [0,1,0,0,0,1|1,1,0]=4 409 B22R3.15330372 CC1CCN(CC1)CCNc2nc(nc3c2[nH]cn3)N 27a_100000739677_100000764887 [0,1,0,0,0,1|2,0,0]=4 410 B22R3.15330372 CN1CCC(CC1)CCNc2nc(nc3c2[nH]cn3)N 27a_100000748683_100000764887 [0,1,0,0,0,1|2,0,0]=4 411 B22R3.15330372 Nc1nc(c2[nH]cnc2n1)NCCC3CCC(CC3)O 27a_200011935226_100000764887 [0,1,0,0,0,1|1,0,0]=3 412 B22R3.15330372 Nc1nc(c2[nH]cnc2n1)NCCN3CCC(CC3)O 27a_100020666255_100000764887 [0,1,0,0,0,1|2,0,0]=4 413 B22R3.72448780 Nc1nc(c2[nH]cnc2n1)NCCC3(CCCCC3)O 27a_100102740465_100000764887 [0,1,0,0,0,1|1,0,0]=3 414 B22R3.13219180 CC[C@H](Nc1nc(nc2c1[nH]cn2)N)C3CCCCC3 27a_100020639352_100000764887 [0,2,0,0,0,0|1,0,0]=3 415 B22R3.13219180 Nc1nc(c2[nH]cnc2n1)N[C@@H](CO)C3CCCCC3 27a_100009817630_100000764887 [0,2,0,0,0,0|1,0,0]=3 416 B22R3.13177177 CCN(CC1CCCCO1)c2nc(nc3c2[nH]cn3)N 27a_100015185122_100000764887 [0,2,0,0,0,0|2,0,0]=4 417 B22R3.13177177 CCN(CC1CCOCC1)c2nc(nc3c2[nH]cn3)N 27a_100011439692_100000764887 [0,2,0,0,0,0|2,0,0]=4 418 B22R3.15325349 CN1CCC(CC1)CN(C)c2nc(nc3c2[nH]cn3)N 27a_100000751948_100000764887 [0,2,0,0,0,0|2,0,0]=4 419 B22R3.43404916 CN(CC1CCCCN1C)c2nc(nc3c2[nH]cn3)N 27a_100015185953_100000764887 [0,2,0,0,0,0|2,0,0]=4 420 B22R3.77554501 CN1CCCC(C1)CN(C)c2nc(nc3c2[nH]cn3)N 27a_100000756388_100000764887 [0,2,0,0,0,0|2,0,0]=4 421 B22R3.3536444 CCN1CCCC(C1)CNc2nc(nc3c2[nH]cn3)N 27a_100000747413_100000764887 [0,2,0,0,0,0|2,0,0]=4 422 B22R3.3769673 CCN1CCCCC1CNc2nc(nc3c2[nH]cn3)N 27a_100000754393_100000764887 [0,2,0,0,0,0|2,0,0]=4 423 B22R3.171325889 N#CC1(CCCCC1)CSc2nc(nc3c2[nH]cn3)N 62a_100000764887_100011219015 [0,2,0,0,0,0|0,1,0]=3 424 B22R3.171325889 N#CC1(CCCCC1)CSc2nc(nc3c2[nH]cn3)N 62a_100011219015_100000764887 [0,2,0,0,0,0|0,1,0]=3 425 B22R3.171325889 Nc1nc(c2[nH]cnc2n1)NCC3(CCOCC3)CO 27a_100000691804_100000764887 [0,2,0,0,0,0|2,0,0]=4 426 B22R3.288922 CCN1CCC(CC1)CNc2nc(nc3c2[nH]cn3)N 27a_100000744039_100000764887 [0,2,0,0,0,0|2,0,0]=4 427 B22R3.288922 COC1CCC(CC1)CSc2nc(nc3c2[nH]cn3)N 62a_100000764887_100013032858 [0,2,0,0,0,0|0,1,0]=3 428 B22R3.288922 COC1CCC(CC1)CSc2nc(nc3c2[nH]cn3)N 62a_100013032858_100000764887 [0,2,0,0,0,0|0,1,0]=3 429 B22R3.288922 Nc1nc(c2[nH]cnc2n1)NC[C@H]3CC[C@@H](CC3)CO 27a_100121570882_100000764887 [0,2,0,0,0,0|1,0,0]=3 430 B22R3.624357 Nc1nc(c2[nH]cnc2n1)NCC3CCC(CC3)(F)F 27a_100016988479_100000764887 [0,2,0,0,0,0|1,0,0]=3 431 B22R3.624357 Nc1nc(c2[nH]cnc2n1)NCC3CCS(=O)(=O)CC3 27a_100000693208_100000764887 [0,2,0,0,0,0|2,0,0]=4 432 B22R3.624357 Nc1nc(c2[nH]cnc2n1)SCC3CCC(CC3)(F)F 62a_100000764887_100012361406 [0,2,0,0,0,0|0,1,0]=3 433 B22R3.624357 Nc1nc(c2[nH]cnc2n1)SCC3CCC(CC3)(F)F 62a_100012361406_100000764887 [0,2,0,0,0,0|0,1,0]=3 434 B20R3.2180490 CCC1CN(CCO1)c2nc(nc3c2[nH]cn3)N 27a_100000736320_100000764887 [0,0,1,1,0,0|2,0,0]=4 435 B20R3.2180490 COC1CCCN(C1)c2nc(nc3c2[nH]cn3)N 27a_100000695604_100000764887 [0,0,1,1,0,0|2,0,0]=4 436 B20R3.2180490 Nc1nc(c2[nH]cnc2n1)N3CCCC(C3)CF 27a_100016992999_100000764887 [0,0,1,1,0,0|2,0,0]=4 437 B20R3.2180490 Nc1nc(c2[nH]cnc2n1)N3CCCC(C3)CO 27a_100000211344_100000764887 [0,0,1,1,0,0|2,0,0]=4 438 B20R3.5192528 CCO[C@H]1CCN(C1)c2nc(nc3c2[nH]cn3)N 27a_100011787710_100000764887 [0,0,1,1,0,0|2,0,0]=4 439 B20R3.5192528 COCC1CCN(C1)c2nc(nc3c2[nH]cn3)N 27a_100025706693_100000764887 [0,0,1,1,0,0|2,0,0]=4 440 B20R3.5192528 Nc1nc(c2[nH]cnc2n1)N3CCC(C3)CCO 27a_100016987287_100000764887 [0,0,1,1,0,0|2,0,0]=4 441 B20R3.40385110 CCC1(CCC1)CNc2nc(nc3c2[nH]cn3)N 27a_100000685557_100000764887 [0,0,1,1,0,0|1,0,0]=3 442 B20R3.40385110 CCC1(COC1)CNc2nc(nc3c2[nH]cn3)N 27a_100000101356_100000764887 [0,0,1,1,0,0|2,0,0]=4 443 B20R3.40385110 CCC1(COC1)CSc2nc(nc3c2[nH]cn3)N 62a_100000764887_200009907690 [0,0,1,1,0,0|1,1,0]=4 444 B20R3.40385110 CCC1(COC1)CSc2nc(nc3c2[nH]cn3)N 62a_200009907690_100000764887 [0,0,1,1,0,0|1,1,0]=4 445 B20R3.40385110 Nc1nc(c2[nH]cnc2n1)NCC3(CCC3)CO 27a_100000701034_100000764887 [0,0,1,1,0,0|2,0,0]=4 446 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCC3CCCCC3 62a_100000211423_100010179808 [0,0,1,1,0,0|1,1,0]=4 447 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCC3CCCCC3 62a_100010179808_100000211423 [0,0,1,1,0,0|1,1,0]=4 448 B20R3.12658 Nc1nc(c2[nH]cnc2n1)NCCC3CCCC3 27a_100000739158_100000764887 [0,0,1,1,0,0|1,0,0]=3 449 B20R3.12658 Nc1nc(c2[nH]cnc2n1)NCCN3CCCC3 27a_100000212299_100000764887 [0,0,1,1,0,0|2,0,0]=4 450 B20R3.12658 Nc1nc(c2[nH]cnc2n1)SCCC3CCCC3 62a_100000760354_100000764887 [0,0,1,1,0,0|0,1,0]=3 451 B20R3.12658 Nc1nc(c2[nH]cnc2n1)SCCC3CCCC3 62a_100000764887_100000760354 [0,0,1,1,0,0|0,1,0]=3 452 B20R3.12658 Nc1nc(c2[nH]cnc2n1)SCCN3CCCC3 62a_100000700749_100000764887 [0,0,1,1,0,0|1,1,0]=4 453 B20R3.12658 Nc1nc(c2[nH]cnc2n1)SCCN3CCCC3 62a_100000764887_100000004467 [0,0,1,1,0,0|1,1,0]=4 454 B20R3.258239 Nc1nc(c2[nH]cnc2n1)N3CCCCCCC3 27a_100000211400_100000764887 [0,0,1,1,0,0|1,0,0]=3 455 B20R3.258283 Nc1nc(c2[nH]cnc2n1)NC3CCCCCC3 27a_100000210984_100000764887 [0,0,1,1,0,0|1,0,0]=3 456 B20R3.258283 Nc1nc(c2[nH]cnc2n1)SC3CCCCCC3 62a_100000764887_100011217769 [0,0,1,1,0,0|0,1,0]=3 457 B20R3.258283 Nc1nc(c2[nH]cnc2n1)SC3CCCCCC3 62a_100011217769_100000764887 [0,0,1,1,0,0|0,1,0]=3 458 B20R3.2248423 CCC1CCCCN1c2nc(nc3c2[nH]cn3)N 27a_100000210034_100000764887 [0,0,1,1,0,0|1,0,0]=3 459 B20R3.2248423 CC[C@H]1COCCN1c2nc(nc3c2[nH]cn3)N 27a_100016988097_100000764887 [0,0,1,1,0,0|2,0,0]=4 460 B20R3.2248423 Nc1nc(c2[nH]cnc2n1)N3CCCCC3CO 27a_100000210821_100000764887 [0,0,1,1,0,0|2,0,0]=4 461 B20R3.5296541 COC[C@@H]1CCCN1c2nc(nc3c2[nH]cn3)N 27a_100020646714_100000764887 [0,0,1,1,0,0|2,0,0]=4 462 B20R3.2887821 C[C@@H]1CN([C@@H](CO1)C)c2nc(nc3c2[nH]cn3)N 27a_100016991869_100000764887 [0,0,1,1,0,0|2,0,0]=4 463 B20R3.5688796 CCCOC1CN(C1)c2nc(nc3c2[nH]cn3)N 27a_200020626125_100000764887 [0,0,1,1,0,0|2,0,0]=4 464 B20R3.14189608 Nc1nc(c2[nH]cnc2n1)N3CCCCC(C3)O 27a_100025706797_100000764887 [0,0,1,1,0,0|2,0,0]=4 465 B20R4.1724787 c1nc(c2[nH]ccc2n1)SC3C4CCC3CC4 62a_100009813300_100000084117 [1,0,0,1,0,0|1,1,0]=4 466 B20R4.1724787 c1nc(c2[nH]cnc2n1)SC3C4CCC3CC4 62a_100009813300_100011215200 [1,0,0,1,0,0|0,1,0]=3 467 B20R4.1726537 c1nc(c2[nH]ccc2n1)N3CC4CCC3CC4 27a_100000750499_100000084117 [1,0,0,1,0,0|2,0,0]=4 468 B20R4.1726537 c1nc(c2[nH]cnc2n1)N3CC4CCC3CC4 27a_100000750499_100011215200 [1,0,0,1,0,0|1,0,0]=3 469 B20R4.268852 Nc1nc(c2[nH]cnc2n1)N3C4CCC3CC4 27a_100000735658_100000764887 [0,0,0,1,1,0|1,0,0]=3 470 B20R4.268886 Nc1nc(c2[nH]cnc2n1)NC3C4C3COC4 27a_100000702821_100000764887 [0,0,0,1,1,0|2,0,0]=4 471 B20R4.268869 Nc1nc(c2[nH]cnc2n1)N3CC4CCC3C4 27a_100000743476_100000764887 [0,0,0,1,1,0|1,0,0]=3 472 B20R4.268869 Nc1nc(c2[nH]cnc2n1)N3C[C@H]4C[C@@H]3CO4 27a_100016995552_100000764887 [0,0,0,1,1,0|2,0,0]=4 473 B22R4.593570 Nc1nc(c2[nH]cnc2n1)N3CCN4CCC3CC4 27a_100000027273_100000764887 [0,0,0,1,0,1|2,0,0]=4 474 B22R4.593598 Nc1nc(c2[nH]cnc2n1)N[C@H]3CN4CCC3CC4 27a_100016987387_100000764887 [0,0,0,1,0,1|2,0,0]=4 475 B22R4.593520 Nc1nc(c2[nH]cnc2n1)N3C[C@H]4CCCC[C@H]4C3 27a_100015204113_100000764887 [0,1,0,1,0,0|1,0,0]=3 476 B22R4.12298712 Nc1nc(c2[nH]cnc2n1)N3CC4(C3)CCCCO4 27a_100015188888_100000764887 [0,1,0,1,0,0|2,0,0]=4 477 B22R4.12298712 Nc1nc(c2[nH]cnc2n1)N3CC4(C3)CCOCC4 27a_100000690871_100000764887 [0,1,0,1,0,0|2,0,0]=4 478 B18R2.898410 CCC(COC)Nc1nc(nc2c1[nH]cn2)N 27a_100000757820_100000764887 [0,0,1,0,1,0|2,0,0]=4 479 B18R2.898410 CCCC(CC)Nc1nc(nc2c1[nH]cn2)N 27a_100000747048_100000764887 [0,0,1,0,1,0|1,0,0]=3 480 B18R2.898410 CCCC(CC)Sc1nc(nc2c1[nH]cn2)N 62a_100000764887_100011219200 [0,0,1,0,1,0|0,1,0]=3 481 B18R2.898410 CCCC(CC)Sc1nc(nc2c1[nH]cn2)N 62a_100011219200_100000764887 [0,0,1,0,1,0|0,1,0]=3 482 B18R2.898410 CCC[C@@H](CO)Nc1nc(nc2c1[nH]cn2)N 27a_100000732646_100000764887 [0,0,1,0,1,0|2,0,0]=4 483 B18R2.290042 CCCCC(C)Nc1nc(nc2c1[nH]cn2)N 27a_100000126638_100000764887 [0,0,1,0,1,0|1,0,0]=3 484 B18R2.290042 CCCCC(C)Sc1nc(nc2c1[nH]cn2)N 62a_100000764887_200011215066 [0,0,1,0,1,0|0,1,0]=3 485 B18R2.290042 CCCCC(C)Sc1nc(nc2c1[nH]cn2)N 62a_200011215066_100000764887 [0,0,1,0,1,0|0,1,0]=3 486 B18R3.2115 c1nc(c2[nH]ccc2n1)NC3CCCCC3 27a_100000182618_100000084117 [1,0,0,0,1,0|2,0,0]=4 487 B18R3.2115 c1nc(c2[nH]ccc2n1)SC3CCCCC3 62a_100000210327_100000084117 [1,0,0,0,1,0|1,1,0]=4 488 B18R3.2115 c1nc(c2[nH]cnc2n1)NC3CCCCC3 27a_100000182618_100011215200 [1,0,0,0,1,0|1,0,0]=3 489 B18R3.2115 c1nc(c2[nH]cnc2n1)NC3CCCOC3 27a_100000719290_100011215200 [1,0,0,0,1,0|2,0,0]=4 490 B18R3.2115 c1nc(c2[nH]cnc2n1)NC3CCOCC3 27a_100000741149_100011215200 [1,0,0,0,1,0|2,0,0]=4 491 B18R3.2115 c1nc(c2[nH]cnc2n1)NC3CCSCC3 27a_100000748639_100011215200 [1,0,0,0,1,0|2,0,0]=4 492 B18R3.2115 c1nc(c2[nH]cnc2n1)SC3CCCCC3 62a_100000210327_100011215200 [1,0,0,0,1,0|0,1,0]=3 493 B18R3.12721 c1nc(c2[nH]ccc2n1)NCC3CCCC3 27a_100000737975_100000084117 [1,0,0,0,1,0|2,0,0]=4 494 B18R3.12721 c1nc(c2[nH]ccc2n1)SCC3CCCC3 62a_100000740388_100000084117 [1,0,0,0,1,0|1,1,0]=4 495 B18R3.12721 c1nc(c2[nH]cnc2n1)NCC3CCCC3 27a_100000737975_100011215200 [1,0,0,0,1,0|1,0,0]=3 496 B18R3.12721 c1nc(c2[nH]cnc2n1)NCC3CCOC3 27a_100000737293_100011215200 [1,0,0,0,1,0|2,0,0]=4 497 B18R3.12721 c1nc(c2[nH]cnc2n1)NC[C@@H]3CCCO3 27a_100020590478_100011215200 [1,0,0,0,1,0|2,0,0]=4 498 B18R3.12721 c1nc(c2[nH]cnc2n1)SCC3CCCC3 62a_100000740388_100011215200 [1,0,0,0,1,0|0,1,0]=3 499 B18R3.12721 c1nc(c2[nH]cnc2n1)SCC3CCCO3 62a_100000203698_100011215200 [1,0,0,0,1,0|1,1,0]=4 500 B18R3.12721 c1nc(c2[nH]cnc2n1)SCC3CCOC3 62a_100000702531_100011215200 [1,0,0,0,1,0|1,1,0]=4 501 B18R3.174 Nc1nc(c2[nH]cnc2n1)N3CCOCC3 27a_100015191051_100000764887 [0,0,0,0,2,0|2,0,0]=4 502 B18R3.174 Nc1nc(c2[nH]cnc2n1)N3CCSCC3 27a_100000737611_100000764887 [0,0,0,0,2,0|2,0,0]=4 503 B18R3.6125 Nc1nc(c2[nH]cnc2n1)NC3CCCC3 27a_100000211070_100000764887 [0,0,0,0,2,0|1,0,0]=3 504 B18R3.6125 Nc1nc(c2[nH]cnc2n1)N[C@@H]3CCOC3 27a_200015188469_100000764887 [0,0,0,0,2,0|2,0,0]=4 505 B18R3.6125 Nc1nc(c2[nH]cnc2n1)N[C@H]3CCOC3 27a_100015188467_100000764887 [0,0,0,0,2,0|2,0,0]=4 506 B18R3.6125 Nc1nc(c2[nH]cnc2n1)SC3CCCC3 62a_100000764887_100000179811 [0,0,0,0,2,0|0,1,0]=3 507 B18R3.6125 Nc1nc(c2[nH]cnc2n1)SC3CCCC3 62a_100011217020_100000764887 [0,0,0,0,2,0|0,1,0]=3 508 B18R3.6125 Nc1nc(c2[nH]cnc2n1)SC3CCOC3 62a_100000764887_100000690089 [0,0,0,0,2,0|1,1,0]=4 509 B18R3.92031 Nc1nc(c2[nH]cnc2n1)NCC3CCC3 27a_100000738700_100000764887 [0,0,0,0,2,0|1,0,0]=3 510 B18R3.92031 Nc1nc(c2[nH]cnc2n1)NCC3COC3 27a_100015281925_100000764887 [0,0,0,0,2,0|2,0,0]=4 511 B18R3.92031 Nc1nc(c2[nH]cnc2n1)NC[C@@H]3CCO3 27a_100020831831_100000764887 [0,0,0,0,2,0|2,0,0]=4 512 B18R3.92031 Nc1nc(c2[nH]cnc2n1)SCC3CCC3 62a_100000763275_100000764887 [0,0,0,0,2,0|0,1,0]=3 513 B18R3.92031 Nc1nc(c2[nH]cnc2n1)SCC3CCC3 62a_100000764887_100000763275 [0,0,0,0,2,0|0,1,0]=3 514 B18R3.92031 Nc1nc(c2[nH]cnc2n1)SCC3CCO3 62a_100000103362_100000764887 [0,0,0,0,2,0|1,1,0]=4 515 B18R3.92031 Nc1nc(c2[nH]cnc2n1)SCC3CCO3 62a_100000764887_100000103362 [0,0,0,0,2,0|1,1,0]=4 516 B18R3.92031 Nc1nc(c2[nH]cnc2n1)SCC3COC3 62a_100000764887_100010264016 [0,0,0,0,2,0|1,1,0]=4 517 B18R3.92031 Nc1nc(c2[nH]cnc2n1)SCC3COC3 62a_100010264016_100000764887 [0,0,0,0,2,0|1,1,0]=4 518 B20R3.2720 c1cc2c(ncnc2cn1)NCC3CCCCC3 27a_100000210473_100000098430 [1,0,0,0,0,1|2,0,0]=4 519 B20R3.2720 c1cc2c(ncnc2cn1)SCC3CCCCC3 62a_100000211423_100000098430 [1,0,0,0,0,1|1,1,0]=4 520 B20R3.2720 c1cnc2ncnc(c2c1)NCC3CCCCC3 27a_100000210473_100000026734 [1,0,0,0,0,1|2,0,0]=4 521 B20R3.2720 c1cnc2ncnc(c2c1)SCC3CCCCC3 62a_100000026734_100000211423 [1,0,0,0,0,1|1,1,0]=4 522 B20R3.2720 c1cnc2ncnc(c2c1)SCC3CCCCC3 62a_100000211423_100000026734 [1,0,0,0,0,1|1,1,0]=4 523 B20R3.30250 C(=NNc1ncnc2c1[nH]cn2)C3CCCCC3 4a_100000743131_100000211278 [1,0,0,0,0,1|1,0,1]=4 524 B20R3.30250 c1nc(c2[nH]ccc2n1)NCCC3CCCCC3 27a_100000738074_100000084117 [1,0,0,0,0,1|2,0,0]=4 525 B20R3.30250 c1nc(c2[nH]ccc2n1)SCCC3CCCCC3 62a_100012355289_100000084117 [1,0,0,0,0,1|1,1,0]=4 526 B20R3.30250 c1nc(c2[nH]ccc2n1)SCOC3CCCCC3 62a_100011935260_100000084117 [1,0,0,0,0,1|1,1,0]=4 527 B20R3.30250 c1nc(c2[nH]cnc2n1)NCCC3CCCCC3 27a_100000738074_100011215200 [1,0,0,0,0,1|1,0,0]=3 528 B20R3.30250 c1nc(c2[nH]cnc2n1)NCCC3CCCCO3 27a_100015183643_100011215200 [1,0,0,0,0,1|2,0,0]=4 529 B20R3.30250 c1nc(c2[nH]cnc2n1)NCCC3CCOCC3 27a_100000755988_100011215200 [1,0,0,0,0,1|2,0,0]=4 530 B20R3.30250 c1nc(c2[nH]cnc2n1)NCCN3CCCCC3 27a_100000216509_100011215200 [1,0,0,0,0,1|2,0,0]=4 531 B20R3.30250 c1nc(c2[nH]cnc2n1)SCCC3CCCCC3 62a_100012355289_100011215200 [1,0,0,0,0,1|0,1,0]=3 532 B20R3.30250 c1nc(c2[nH]cnc2n1)SCCC3CCOCC3 62a_100011934994_100011215200 [1,0,0,0,0,1|1,1,0]=4 533 B20R3.30250 c1nc(c2[nH]cnc2n1)SCCN3CCCCC3 62a_100000739454_100011215200 [1,0,0,0,0,1|1,1,0]=4 534 B20R3.30250 c1nc(c2[nH]cnc2n1)SCOC3CCCCC3 62a_100011935260_100011215200 [1,0,0,0,0,1|0,1,0]=3 535 B20R3.1869410 c1nc(c2[nH]ccc2n1)NCC3CCCCCC3 27a_100015204231_100000084117 [1,0,0,0,0,1|2,0,0]=4 536 B20R3.1869410 c1nc(c2[nH]ccc2n1)SCC3CCCCCC3 62a_200000696569_100000084117 [1,0,0,0,0,1|1,1,0]=4 537 B20R3.1869410 c1nc(c2[nH]cnc2n1)NCC3CCCCCC3 27a_100015204231_100011215200 [1,0,0,0,0,1|1,0,0]=3 538 B20R3.1869410 c1nc(c2[nH]cnc2n1)SCC3CCCCCC3 62a_200000696569_100011215200 [1,0,0,0,0,1|0,1,0]=3 539 B22R3.28585 Nc1nc(c2[nH]cnc2n1)NCCCC3CCCCC3 27a_100011211642_100000764887 [0,0,0,0,0,2|1,0,0]=3 540 B22R3.28585 Nc1nc(c2[nH]cnc2n1)NCCCN3CCCCC3 27a_100000204581_100000764887 [0,0,0,0,0,2|2,0,0]=4 541 B22R3.28585 Nc1nc(c2[nH]cnc2n1)NCCOC3CCCCC3 27a_100015206981_100000764887 [0,0,0,0,0,2|1,0,0]=3 542 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCCC3CCCCC3 62a_100000764887_100011713725 [0,0,0,0,0,2|0,1,0]=3 543 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCCC3CCCCC3 62a_100011713725_100000764887 [0,0,0,0,0,2|0,1,0]=3 544 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCCN3CCCCC3 62a_100000764887_100000007876 [0,0,0,0,0,2|1,1,0]=4 545 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCCN3CCCCC3 62a_100132302099_100000764887 [0,0,0,0,0,2|1,1,0]=4 546 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCOC3CCCCC3 62a_100000764887_100011211530 [0,0,0,0,0,2|0,1,0]=3 547 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCOC3CCCCC3 62a_100011211530_100000764887 [0,0,0,0,0,2|0,1,0]=3 548 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCOC3CCCCO3 62a_100000744793_100000764887 [0,0,0,0,0,2|1,1,0]=4 549 B22R3.28585 Nc1nc(c2[nH]cnc2n1)SCCOC3CCCCO3 62a_100000764887_100000744793 [0,0,0,0,0,2|1,1,0]=4 550 B22R3.10553535 Nc1nc(c2[nH]cnc2n1)NCCC3CCCCCC3 27a_100011532351_100000764887 [0,0,0,0,0,2|1,0,0]=3 551 B22R3.10553535 Nc1nc(c2[nH]cnc2n1)NCCN3CCCCCC3 27a_100000738142_100000764887 [0,0,0,0,0,2|2,0,0]=4 552 B22R3.10553535 Nc1nc(c2[nH]cnc2n1)SCCN3CCCCCC3 62a_100000722644_100000764887 [0,0,0,0,0,2|1,1,0]=4 553 B22R3.10553535 Nc1nc(c2[nH]cnc2n1)SCCN3CCCCCC3 62a_100000764887_100000722644 [0,0,0,0,0,2|1,1,0]=4 554 B22R3.624430 Nc1nc(c2[nH]cnc2n1)NCC3CC/C=C\CCC3 27a_100102730862_100000764887 [0,0,0,0,0,2|1,0,0]=3