0 B19R2.7069116 COC(=O)c1c[nH]c2c1c(ncn2)SCC(C)C 62a_100000210624_200010090790 [0,0,0,0,0,0|2,1,0]=3 1 B19R2.7069116 COC(=O)c1c[nH]c2c1c(ncn2)SCC(C)O 62a_100011218427_200010090790 [0,0,0,0,0,0|3,1,0]=4 2 B19R2.7069116 COC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)O 62a_100009817552_200010090790 [0,0,0,0,0,0|3,1,0]=4 3 B18R2.89713 CCCSc1ncnc2c1c(c[nH]2)C(=O)OC 62a_100000210303_200010090790 [1,0,0,0,0,0|2,1,0]=4 4 B18R2.736234 C=C(C)CNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100000765925_100010365573 [1,0,0,0,0,0|1,0,2]=4 5 B18R2.736234 C=C(C)CSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100000748629_100010365573 [1,0,0,0,0,0|0,1,2]=4 6 B18R2.736234 CC(=O)c1c[nH]c2c1c(ccn2)C=CC(C)C 271570a_100016257149_100012185045 [1,0,0,0,0,0|2,0,1]=4 7 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)C=CC(C)C 271570a_100016257149_100010365573 [1,0,0,0,0,0|1,0,1]=3 8 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)C=CC(C)O 271570a_200011019289_100010365573 [1,0,0,0,0,0|2,0,1]=4 9 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)C 27a_100000210953_100010365573 [1,0,0,0,0,0|1,0,0]=2 10 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)O 27a_100000210904_100010365573 [1,0,0,0,0,0|2,0,0]=3 11 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)NCC(F)F 27a_100000765723_100010365573 [1,0,0,0,0,0|3,0,0]=4 12 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)SCC(C)C 62a_100000210624_100010365573 [1,0,0,0,0,0|0,1,0]=2 13 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)SCC(C)O 62a_100011218427_100010365573 [1,0,0,0,0,0|1,1,0]=3 14 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)SCC(F)F 62a_100011934356_100010365573 [1,0,0,0,0,0|2,1,0]=4 15 B18R2.736234 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)O 62a_100009817552_100010365573 [1,0,0,0,0,0|1,1,0]=3 16 B20R2.1331161 CCC(C)CSc1ncnc2c1c(c[nH]2)C(=O)OC 62a_100000748023_200010090790 [0,1,0,0,0,0|2,1,0]=4 17 B20R2.1331161 CC[C@H](C)CSc1ncnc2c1c(c[nH]2)C(=O)OC 62a_100009816398_200010090790 [0,1,0,0,0,0|2,1,0]=4 18 B20R2.1331161 COC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)CO 62a_100000059175_200010090790 [0,1,0,0,0,0|2,1,0]=4 19 B20R2.12364293 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC(C)C 27a_100000210953_100009888916 [0,1,0,0,0,0|2,0,0]=3 20 B20R2.12364293 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC(C)O 27a_100000210904_100009888916 [0,1,0,0,0,0|3,0,0]=4 21 B20R2.12364293 CCOC(=O)c1c[nH]c2c1c(ncn2)SCC(C)C 62a_100000210624_100009888916 [0,1,0,0,0,0|1,1,0]=3 22 B20R2.12364293 CCOC(=O)c1c[nH]c2c1c(ncn2)SCC(C)O 62a_100011218427_100009888916 [0,1,0,0,0,0|2,1,0]=4 23 B20R2.12364293 CCOC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)O 62a_100009817552_100009888916 [0,1,0,0,0,0|2,1,0]=4 24 B20R2.34014089 COC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)C 62a_100011219605_200010090790 [0,1,0,0,0,0|2,1,0]=4 25 B20R2.34014089 COC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)F 62a_100011997219_200010090790 [0,1,0,0,0,0|2,1,0]=4 26 B20R2.34014089 COC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)O 62a_100000764493_200010090790 [0,1,0,0,0,0|2,1,0]=4 27 B20R3.25545381 COC(=O)c1c[nH]c2c1c(ncn2)SCC3CC3 62a_100000756562_200010090790 [0,0,0,1,0,0|2,1,0]=4 28 B18R2.1777882 COC(=O)c1c[nH]c2c1c(ncn2)SC(C)C 62a_100000210206_200010090790 [0,0,0,0,1,0|2,1,0]=4 29 B20R2.13395084 COC(=O)c1c[nH]c2c1c(ncn2)SCCC(C)C 62a_100000210312_200010090790 [0,0,0,0,0,1|2,1,0]=4 30 B20R2.13395084 COC(=O)c1c[nH]c2c1c(ncn2)SCOC(C)C 62a_100000709892_200010090790 [0,0,0,0,0,1|2,1,0]=4 31 B17R2.54545 CC(=O)c1c[nH]c2c1c(ncn2)NCCO 27a_100000210304_100010365573 [2,0,0,0,0,0|2,0,0]=4 32 B17R2.54545 CC(=O)c1c[nH]c2c1c(ncn2)SCCF 62a_100011217306_100010365573 [2,0,0,0,0,0|1,1,0]=4 33 B17R2.54545 CC(=O)c1c[nH]c2c1c(ncn2)SCCO 62a_100000211926_100010365573 [2,0,0,0,0,0|1,1,0]=4 34 B17R2.54545 CCCCc1ccnc2c1c(c[nH]2)C(=O)C 271570a_100020621405_100012185045 [2,0,0,0,0,0|2,0,0]=4 35 B17R2.54545 CCCCc1ncnc2c1c(c[nH]2)C(=O)C 271570a_100020621405_100010365573 [2,0,0,0,0,0|1,0,0]=3 36 B17R2.54545 CCCSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100000210303_100010365573 [2,0,0,0,0,0|0,1,0]=3 37 B17R2.54545 COCSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100000766300_100010365573 [2,0,0,0,0,0|1,1,0]=4 38 B17R2.54545 CSCSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100011218213_100010365573 [2,0,0,0,0,0|1,1,0]=4 39 B17R2.429189 CC(C)CSc1ncnc2c1c(c[nH]2)C=O 62a_100000210624_100009849210 [2,0,0,0,0,0|0,1,0]=3 40 B17R2.429189 CC(O)CSc1ncnc2c1c(c[nH]2)C=O 62a_100011218427_100009849210 [2,0,0,0,0,0|1,1,0]=4 41 B17R2.429189 CCc1c[nH]c2c1c(ncn2)NCC(C)C 27a_100000210953_100009876448 [2,0,0,0,0,0|1,0,1]=4 42 B17R2.429189 CCc1c[nH]c2c1c(ncn2)SCC(C)C 62a_100000210624_100009876448 [2,0,0,0,0,0|0,1,1]=4 43 B17R2.429189 C[C@@H](O)CSc1ncnc2c1c(c[nH]2)C=O 62a_100009817552_100009849210 [2,0,0,0,0,0|1,1,0]=4 44 B19R2.144476 CCCSc1ncnc2c1c(c[nH]2)C(=O)OCC 62a_100000210303_100009888916 [1,1,0,0,0,0|1,1,0]=4 45 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)CO 27a_100000744482_100010365573 [1,1,0,0,0,0|1,0,0]=3 46 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)NC[C@@H](F)CO 27a_100015665980_100010365573 [1,1,0,0,0,0|2,0,0]=4 47 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)NC[C@H](O)CO 27a_100020644852_100010365573 [1,1,0,0,0,0|2,0,0]=4 48 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)SCC(O)CO 62a_100011219619_100010365573 [1,1,0,0,0,0|1,1,0]=4 49 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)CO 62a_100000059175_100010365573 [1,1,0,0,0,0|0,1,0]=3 50 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](O)CF 62a_100015614560_100010365573 [1,1,0,0,0,0|1,1,0]=4 51 B19R2.1311368 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](O)CO 62a_100009815848_100010365573 [1,1,0,0,0,0|1,1,0]=4 52 B19R2.1311368 CCC(C)CNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100020588543_100010365573 [1,1,0,0,0,0|1,0,0]=3 53 B19R2.1311368 CCC(C)CSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100000748023_100010365573 [1,1,0,0,0,0|0,1,0]=3 54 B19R2.1311368 CCC(O)CNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100011218483_100010365573 [1,1,0,0,0,0|2,0,0]=4 55 B19R2.1311368 CCC(O)CSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100011218378_100010365573 [1,1,0,0,0,0|1,1,0]=4 56 B19R2.1311368 CC[C@H](C)CSc1ncnc2c1c(c[nH]2)C(=O)C 62a_100009816398_100010365573 [1,1,0,0,0,0|0,1,0]=3 57 B19R2.1311368 CO[C@H](C)CNc1ncnc2c1c(c[nH]2)C(=O)C 27a_100020591295_100010365573 [1,1,0,0,0,0|1,0,0]=3 58 B19R2.4414553 CC(=O)c1c[nH]c2c1c(ccn2)[C@@H](N)CC(C)C 271570a_100015190218_100012185045 [1,1,0,0,0,0|2,0,0]=4 59 B19R2.4414553 CC(=O)c1c[nH]c2c1c(ncn2)N(C)CC(C)C 27a_100000747067_100010365573 [1,1,0,0,0,0|1,0,0]=3 60 B19R2.4414553 CC(=O)c1c[nH]c2c1c(ncn2)N(C)CC(C)O 27a_100000227577_100010365573 [1,1,0,0,0,0|2,0,0]=4 61 B19R2.4414553 CC(=O)c1c[nH]c2c1c(ncn2)[C@@H](N)CC(C)C 271570a_100015190218_100010365573 [1,1,0,0,0,0|1,0,0]=3 62 B19R2.6051028 CC(=O)c1c[nH]c2c1c(ncn2)NC(C)C(C)C 27a_100000211541_100010365573 [1,1,0,0,0,0|1,0,0]=3 63 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)C=CC(C)(C)C 271570a_100102527731_100010365573 [1,1,0,0,0,0|1,0,1]=4 64 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)C=CC(C)(C)O 271570a_200016258132_100010365573 [1,1,0,0,0,0|1,0,1]=4 65 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)(C)C 27a_100000743828_100010365573 [1,1,0,0,0,0|1,0,0]=3 66 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)(C)F 27a_100020643315_100010365573 [1,1,0,0,0,0|1,0,0]=3 67 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)(C)O 27a_100000751335_100010365573 [1,1,0,0,0,0|1,0,0]=3 68 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)NCC(C)(F)F 27a_100000731000_100010365573 [1,1,0,0,0,0|2,0,0]=4 69 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)NC[Si](C)(C)C 27a_102516607284_100010365573 [1,1,0,0,0,0|1,1,0]=4 70 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)C 62a_100011219605_100010365573 [1,1,0,0,0,0|0,1,0]=3 71 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)F 62a_100011997219_100010365573 [1,1,0,0,0,0|0,1,0]=3 72 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)O 62a_100000764493_100010365573 [1,1,0,0,0,0|0,1,0]=3 73 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)SC[N+](C)(C)C 62a_200000036245_100010365573 [1,1,0,0,0,0|1,1,0]=4 74 B19R2.13081453 CC(=O)c1c[nH]c2c1c(ncn2)SC[Si](C)(C)C 62a_100000037933_100010365573 [1,1,0,0,0,0|0,2,0]=4 75 B19R2.6668726 CCOC(=O)c1c[nH]c2c1c(ncn2)NC(C)C 27a_100138425928_100009888916 [0,1,0,0,1,0|2,0,0]=4 76 B19R2.6668726 CCOC(=O)c1c[nH]c2c1c(ncn2)SC(C)C 62a_100000210206_100009888916 [0,1,0,0,1,0|1,1,0]=4 77 B21R2.22770709 CCOC(=O)c1c[nH]c2c1c(ncn2)NCCC(C)C 27a_100000210545_100009888916 [0,1,0,0,0,1|2,0,0]=4 78 B21R2.22770709 CCOC(=O)c1c[nH]c2c1c(ncn2)SCCC(C)C 62a_100000210312_100009888916 [0,1,0,0,0,1|1,1,0]=4 79 B21R2.22770709 CCOC(=O)c1c[nH]c2c1c(ncn2)SCOC(C)C 62a_100000709892_100009888916 [0,1,0,0,0,1|1,1,0]=4 80 B21R2.22770710 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC(C)CC 27a_100020588543_100009888916 [0,2,0,0,0,0|2,0,0]=4 81 B21R2.22770710 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC(C)CO 27a_100000744482_100009888916 [0,2,0,0,0,0|2,0,0]=4 82 B21R2.22770710 CCOC(=O)c1c[nH]c2c1c(ncn2)NC[C@@H](C)OC 27a_100020591295_100009888916 [0,2,0,0,0,0|2,0,0]=4 83 B21R2.22770710 CCOC(=O)c1c[nH]c2c1c(ncn2)SCC(C)CC 62a_100000748023_100009888916 [0,2,0,0,0,0|1,1,0]=4 84 B21R2.22770710 CCOC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)CC 62a_100009816398_100009888916 [0,2,0,0,0,0|1,1,0]=4 85 B21R2.22770710 CCOC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H](C)CO 62a_100000059175_100009888916 [0,2,0,0,0,0|1,1,0]=4 86 B21R2.22770707 CCOC(=O)c1c[nH]c2c1c(ncn2)N(C)CC(C)C 27a_100000747067_100009888916 [0,2,0,0,0,0|2,0,0]=4 87 B21R2.22770708 CCOC(=O)c1c[nH]c2c1c(ncn2)NC(C)C(C)C 27a_100000211541_100009888916 [0,2,0,0,0,0|2,0,0]=4 88 B21R2.70615143 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC(C)(C)C 27a_100000743828_100009888916 [0,2,0,0,0,0|2,0,0]=4 89 B21R2.70615143 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC(C)(C)F 27a_100020643315_100009888916 [0,2,0,0,0,0|2,0,0]=4 90 B21R2.70615143 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC(C)(C)O 27a_100000751335_100009888916 [0,2,0,0,0,0|2,0,0]=4 91 B21R2.70615143 CCOC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)C 62a_100011219605_100009888916 [0,2,0,0,0,0|1,1,0]=4 92 B21R2.70615143 CCOC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)F 62a_100011997219_100009888916 [0,2,0,0,0,0|1,1,0]=4 93 B21R2.70615143 CCOC(=O)c1c[nH]c2c1c(ncn2)SCC(C)(C)O 62a_100000764493_100009888916 [0,2,0,0,0,0|1,1,0]=4 94 B19R3.1703882 CC(=O)c1c[nH]c2c1c(ncn2)N[C@@H]3C[C@@H]3F 27a_100015190264_100010365573 [1,0,0,1,0,0|2,0,0]=4 95 B19R3.1703882 CC(=O)c1c[nH]c2c1c(ncn2)N[C@@H]3C[C@H]3F 27a_100025746932_100010365573 [1,0,0,1,0,0|2,0,0]=4 96 B19R3.2471309 CC(=O)c1c[nH]c2c1c(ncn2)N3CC(C3)C 27a_100000702820_100010365573 [1,0,0,1,0,0|1,0,0]=3 97 B19R3.2471309 CC(=O)c1c[nH]c2c1c(ncn2)N3CC(C3)F 27a_100000690557_100010365573 [1,0,0,1,0,0|2,0,0]=4 98 B19R3.2471309 CC(=O)c1c[nH]c2c1c(ncn2)N3CC(C3)O 27a_100000749847_100010365573 [1,0,0,1,0,0|2,0,0]=4 99 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)C#CC3CC3 271570a_200009880635_100010365573 [1,0,0,1,0,0|1,0,1]=4 100 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)C=CC3CC3 271570a_100102526188_100010365573 [1,0,0,1,0,0|1,0,1]=4 101 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)NCC3CC3 27a_100000735609_100010365573 [1,0,0,1,0,0|1,0,0]=3 102 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)SCC3CC3 62a_100000756562_100010365573 [1,0,0,1,0,0|0,1,0]=3 103 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)SCC3CO3 62a_102125554688_100010365573 [1,0,0,1,0,0|1,1,0]=4 104 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)SCC3CS3 62a_100000031435_100010365573 [1,0,0,1,0,0|1,1,0]=4 105 B19R3.10688883 CC(=O)c1c[nH]c2c1c(ncn2)SC[C@@H]3CO3 62a_100000745022_100010365573 [1,0,0,1,0,0|1,1,0]=4 106 B21R3.47289783 CCOC(=O)c1c[nH]c2c1c(ncn2)N3CC(C3)C 27a_100000702820_100009888916 [0,1,0,1,0,0|2,0,0]=4 107 B21R3.47289784 CCOC(=O)c1c[nH]c2c1c(ncn2)NCC3CC3 27a_100000735609_100009888916 [0,1,0,1,0,0|2,0,0]=4 108 B21R3.47289784 CCOC(=O)c1c[nH]c2c1c(ncn2)SCC3CC3 62a_100000756562_100009888916 [0,1,0,1,0,0|1,1,0]=4 109 B17R1.1368 CC(C)COc1cccc(c1)C=CC(=O)CCl 6a_100000170242_100000086384 [0,0,1,0,1,0|2,0,0]=4 110 B17R2.288852 CC(=O)c1c[nH]c2c1c(ncn2)C=C(C)C 271570a_100102525489_100010365573 [1,0,0,0,1,0|0,0,2]=4 111 B17R2.288852 CC(=O)c1c[nH]c2c1c(ncn2)NC(C)C 27a_100138425928_100010365573 [1,0,0,0,1,0|1,0,0]=3 112 B17R2.288852 CC(=O)c1c[nH]c2c1c(ncn2)SC(C)C 62a_100000210206_100010365573 [1,0,0,0,1,0|0,1,0]=3 113 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ccn2)C=CCC(C)C 271570a_100016259101_100012185045 [1,0,0,0,0,1|2,0,0]=4 114 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)C=CCC(C)C 271570a_100016259101_100010365573 [1,0,0,0,0,1|1,0,0]=3 115 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)NCC=C(C)C 27a_100000718196_100010365573 [1,0,0,0,0,1|1,0,1]=4 116 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)NCCC(C)C 27a_100000210545_100010365573 [1,0,0,0,0,1|1,0,0]=3 117 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)NCCC(C)O 27a_200000755665_100010365573 [1,0,0,0,0,1|2,0,0]=4 118 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)NCCN(C)C 27a_100000210585_100010365573 [1,0,0,0,0,1|2,0,0]=4 119 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)SCC=C(C)C 62a_100000761012_100010365573 [1,0,0,0,0,1|0,1,1]=4 120 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)SCCC(C)C 62a_100000210312_100010365573 [1,0,0,0,0,1|0,1,0]=3 121 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)SCCC(C)O 62a_100012276601_100010365573 [1,0,0,0,0,1|1,1,0]=4 122 B19R2.1024036 CC(=O)c1c[nH]c2c1c(ncn2)SCOC(C)C 62a_100000709892_100010365573 [1,0,0,0,0,1|0,1,0]=3