0 B17R2.72914 CC(=Cc1cc(nc2n1ncc2C#N)C)C 271570a_100102525489_100012001930 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.72914 Cc1cc(n2ncc(c2n1)C#N)NC(C)C 27a_100138425928_100012001930 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.72914 Cc1cc(n2ncc(c2n1)C#N)SC(C)C 62a_100000210206_100012001930 [0,0,0,0,0,0|2,0,0]=2 3 B16R2.51753 CC=Cc1cc(nc2n1ncc2C#N)C 271570a_100016259895_100012001930 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.51753 CCNc1cc(nc2n1ncc2C#N)C 27a_100015525214_100012001930 [1,0,0,0,0,0|1,0,0]=2 5 B16R2.51753 CCSc1cc(nc2n1ncc2C#N)C 62a_100000210202_100012001930 [1,0,0,0,0,0|2,0,0]=3 6 B16R2.51753 Cc1cc(n2ncc(c2n1)C#N)SCF 62a_100015361967_100012001930 [1,0,0,0,0,0|3,0,0]=4 7 B18R2.858989 Cc1cc(n2ncc(c2n1)C#N)SC(C)(C)C 62a_100000211941_100012001930 [0,1,0,0,0,0|2,0,0]=3 8 B18R2.863888 C#CC(C)Nc1cc(nc2n1ncc2C#N)C 27a_100000707721_100012001930 [0,1,0,0,0,0|1,0,1]=3 9 B18R2.863888 C#CC(C)Sc1cc(nc2n1ncc2C#N)C 62a_200000035995_100012001930 [0,1,0,0,0,0|2,0,1]=4 10 B18R2.863888 C=CC(C)Sc1cc(nc2n1ncc2C#N)C 62a_100011215867_100012001930 [0,1,0,0,0,0|2,0,1]=4 11 B18R2.863888 CCC(C)Sc1cc(nc2n1ncc2C#N)C 62a_100000758301_100012001930 [0,1,0,0,0,0|2,0,0]=3 12 B18R2.863888 COC(C)Sc1cc(nc2n1ncc2C#N)C 62a_100009879195_100012001930 [0,1,0,0,0,0|2,0,0]=3 13 B18R2.863888 Cc1cc(n2ncc(c2n1)C#N)N[C@H](C)CF 27a_100102880703_100012001930 [0,1,0,0,0,0|1,0,0]=2 14 B18R2.863888 Cc1cc(n2ncc(c2n1)C#N)N[C@H](C)CO 27a_100000737577_100012001930 [0,1,0,0,0,0|1,0,0]=2 15 B18R2.863888 Cc1cc(n2ncc(c2n1)C#N)SC(C)C#N 62a_100000703298_100012001930 [0,1,0,0,0,0|2,0,1]=4 16 B18R2.863888 Cc1cc(n2ncc(c2n1)C#N)SC(C)CO 62a_100012180447_100012001930 [0,1,0,0,0,0|2,0,0]=3 17 B18R2.863888 Cc1cc(n2ncc(c2n1)C#N)S[C@H](C)CO 62a_100016084084_100012001930 [0,1,0,0,0,0|2,0,0]=3 18 B18R2.863902 CC(=C(C)c1cc(nc2n1ncc2C#N)C)C 271570a_200000049429_100012001930 [0,1,0,0,0,0|2,0,1]=4 19 B18R2.863902 Cc1cc(n2ncc(c2n1)C#N)N(C)C(C)C 27a_200000211004_100012001930 [0,1,0,0,0,0|1,0,0]=2 20 B18R3.174138 Cc1cc(n2ncc(c2n1)C#N)NC3CC3 27a_100000212008_100012001930 [0,0,0,1,0,0|1,0,0]=2 21 B16R2.42311 C=C(C)c1cc(nc2n1ncc2C#N)C 271570a_100000694244_100012001930 [0,0,0,0,1,0|1,0,2]=4 22 B16R2.42311 Cc1cc(n2ncc(c2n1)C#N)N(C)C 27a_100102631434_100012001930 [0,0,0,0,1,0|2,0,0]=3 23 B18R2.858988 C=C(C)CNc1cc(nc2n1ncc2C#N)C 27a_100000765925_100012001930 [0,0,0,0,0,1|1,0,2]=4 24 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)C=CC(C)C 271570a_100016257149_100012001930 [0,0,0,0,0,1|2,0,0]=3 25 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)C=CC(C)O 271570a_200011019289_100012001930 [0,0,0,0,0,1|3,0,0]=4 26 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)NCC(C)C 27a_100000210953_100012001930 [0,0,0,0,0,1|1,0,0]=2 27 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)NCC(C)O 27a_100000210904_100012001930 [0,0,0,0,0,1|2,0,0]=3 28 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)NCC(F)F 27a_100000765723_100012001930 [0,0,0,0,0,1|3,0,0]=4 29 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)SCC(C)C 62a_100000210624_100012001930 [0,0,0,0,0,1|2,0,0]=3 30 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)SCC(C)O 62a_100011218427_100012001930 [0,0,0,0,0,1|3,0,0]=4 31 B18R2.858988 Cc1cc(n2ncc(c2n1)C#N)SC[C@@H](C)O 62a_100009817552_100012001930 [0,0,0,0,0,1|3,0,0]=4 32 B15R2.970 Cc1cc(n2ncnc2n1)NC(C)C 27a_100138425928_100000195393 [2,0,0,0,0,0|2,0,0]=4 33 B15R2.2989 CNc1cc(nc2n1ncc2C#N)C 27a_100102657272_100012001930 [2,0,0,0,0,0|1,0,0]=3 34 B15R2.2989 CSc1cc(nc2n1ncc2C#N)C 62a_200000210301_100012001930 [2,0,0,0,0,0|2,0,0]=4 35 B15R2.2989 Cc1cc(n2ncc(c2n1)C#N)S[13CH3] 62a_200025704644_100012001930 [2,0,0,0,0,0|2,0,0]=4 36 B17R2.153860 C#CCNc1cc(nc2n1ncc2C#N)C 27a_100000212058_100012001930 [1,1,0,0,0,0|1,0,1]=4 37 B17R2.153860 C=CCNc1cc(nc2n1ncc2C#N)C 27a_100020586998_100012001930 [1,1,0,0,0,0|1,0,1]=4 38 B17R2.153860 CCCCc1cc(nc2n1ncc2C#N)C 271570a_100020621405_100012001930 [1,1,0,0,0,0|2,0,0]=4 39 B17R2.153860 CCCSc1cc(nc2n1ncc2C#N)C 62a_100000210303_100012001930 [1,1,0,0,0,0|2,0,0]=4 40 B17R2.153860 COCSc1cc(nc2n1ncc2C#N)C 62a_100000766300_100012001930 [1,1,0,0,0,0|2,0,0]=4 41 B17R2.153860 CSCSc1cc(nc2n1ncc2C#N)C 62a_100011218213_100012001930 [1,1,0,0,0,0|2,0,0]=4 42 B17R2.153860 Cc1cc(n2ncc(c2n1)C#N)NCCO 27a_100000210304_100012001930 [1,1,0,0,0,0|1,0,0]=3 43 B17R2.153860 Cc1cc(n2ncc(c2n1)C#N)SCCF 62a_100011217306_100012001930 [1,1,0,0,0,0|2,0,0]=4 44 B17R2.153860 Cc1cc(n2ncc(c2n1)C#N)SCCO 62a_100000211926_100012001930 [1,1,0,0,0,0|2,0,0]=4 45 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)C=CC(C)(C)C 271570a_100102527731_100012001930 [0,1,0,0,0,1|2,0,0]=4 46 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)C=CC(C)(C)O 271570a_200016258132_100012001930 [0,1,0,0,0,1|2,0,0]=4 47 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)NCC(C)(C)C 27a_100000743828_100012001930 [0,1,0,0,0,1|1,0,0]=3 48 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)NCC(C)(C)F 27a_100020643315_100012001930 [0,1,0,0,0,1|1,0,0]=3 49 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)NCC(C)(C)O 27a_100000751335_100012001930 [0,1,0,0,0,1|1,0,0]=3 50 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)NCC(C)(F)F 27a_100000731000_100012001930 [0,1,0,0,0,1|2,0,0]=4 51 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)NC[Si](C)(C)C 27a_102516607284_100012001930 [0,1,0,0,0,1|1,1,0]=4 52 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)SCC(C)(C)C 62a_100011219605_100012001930 [0,1,0,0,0,1|2,0,0]=4 53 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)SCC(C)(C)F 62a_100011997219_100012001930 [0,1,0,0,0,1|2,0,0]=4 54 B19R2.1639427 Cc1cc(n2ncc(c2n1)C#N)SCC(C)(C)O 62a_100000764493_100012001930 [0,1,0,0,0,1|2,0,0]=4 55 B19R2.1639439 CCC(C)CNc1cc(nc2n1ncc2C#N)C 27a_100020588543_100012001930 [0,1,0,0,0,1|1,0,0]=3 56 B19R2.1639439 CCC(C)CSc1cc(nc2n1ncc2C#N)C 62a_100000748023_100012001930 [0,1,0,0,0,1|2,0,0]=4 57 B19R2.1639439 CCC(O)CNc1cc(nc2n1ncc2C#N)C 27a_100011218483_100012001930 [0,1,0,0,0,1|2,0,0]=4 58 B19R2.1639439 CC[C@H](C)CSc1cc(nc2n1ncc2C#N)C 62a_100009816398_100012001930 [0,1,0,0,0,1|2,0,0]=4 59 B19R2.1639439 CO[C@H](C)CNc1cc(nc2n1ncc2C#N)C 27a_100020591295_100012001930 [0,1,0,0,0,1|1,0,0]=3 60 B19R2.1639439 Cc1cc(n2ncc(c2n1)C#N)NCC(C)CO 27a_100000744482_100012001930 [0,1,0,0,0,1|1,0,0]=3 61 B19R2.1639439 Cc1cc(n2ncc(c2n1)C#N)NC[C@@H](F)CO 27a_100015665980_100012001930 [0,1,0,0,0,1|2,0,0]=4 62 B19R2.1639439 Cc1cc(n2ncc(c2n1)C#N)NC[C@H](O)CO 27a_100020644852_100012001930 [0,1,0,0,0,1|2,0,0]=4 63 B19R2.1639439 Cc1cc(n2ncc(c2n1)C#N)SC[C@@H](C)CO 62a_100000059175_100012001930 [0,1,0,0,0,1|2,0,0]=4 64 B19R2.1639444 Cc1cc(n2ncc(c2n1)C#N)N(C)CC(C)C 27a_100000747067_100012001930 [0,1,0,0,0,1|1,0,0]=3 65 B19R2.1639444 Cc1cc(n2ncc(c2n1)C#N)N(C)CC(C)O 27a_100000227577_100012001930 [0,1,0,0,0,1|2,0,0]=4 66 B19R2.1639444 Cc1cc(n2ncc(c2n1)C#N)[C@@H](N)CC(C)C 271570a_100015190218_100012001930 [0,1,0,0,0,1|2,0,0]=4 67 B19R2.1639502 Cc1cc(n2ncc(c2n1)C#N)NC(C)C(C)C 27a_100000211541_100012001930 [0,1,0,0,0,1|1,0,0]=3 68 B19R2.1639452 C#CC(C)(C)Sc1cc(nc2n1ncc2C#N)C 62a_100000038118_100012001930 [0,2,0,0,0,0|2,0,0]=4 69 B19R2.1639452 CCC(C)(C)Nc1cc(nc2n1ncc2C#N)C 27a_100000211385_100012001930 [0,2,0,0,0,0|1,0,0]=3 70 B19R2.1639452 CCC(C)(C)Sc1cc(nc2n1ncc2C#N)C 62a_100000032637_100012001930 [0,2,0,0,0,0|2,0,0]=4 71 B19R2.1639452 Cc1cc(n2ncc(c2n1)C#N)NC(C)(C)CO 27a_100000210608_100012001930 [0,2,0,0,0,0|1,0,0]=3 72 B19R2.1639452 Cc1cc(n2ncc(c2n1)C#N)SC(C)(C)C#N 62a_100011162410_100012001930 [0,2,0,0,0,0|2,0,0]=4 73 B19R2.1639447 C=C[C@@H](CO)Nc1cc(nc2n1ncc2C#N)C 27a_100016989147_100012001930 [0,2,0,0,0,0|1,0,1]=4 74 B19R2.1639447 CCC(CC)Nc1cc(nc2n1ncc2C#N)C 27a_100000199018_100012001930 [0,2,0,0,0,0|1,0,0]=3 75 B19R2.1639447 CCC(CC)Sc1cc(nc2n1ncc2C#N)C 62a_100000210505_100012001930 [0,2,0,0,0,0|2,0,0]=4 76 B19R2.1639447 CC[C@@H](CO)Nc1cc(nc2n1ncc2C#N)C 27a_100000709445_100012001930 [0,2,0,0,0,0|1,0,0]=3 77 B19R2.1639447 Cc1cc(n2ncc(c2n1)C#N)NC(CO)CO 27a_100000759517_100012001930 [0,2,0,0,0,0|1,0,0]=3 78 B19R2.1639450 CCC(C)N(C)c1cc(nc2n1ncc2C#N)C 27a_100000741768_100012001930 [0,2,0,0,0,0|1,0,0]=3 79 B19R2.1639450 Cc1cc(n2ncc(c2n1)C#N)N(C)C(C)CO 27a_100000693034_100012001930 [0,2,0,0,0,0|1,0,0]=3 80 B19R2.1707322 CCCC(C)Nc1cc(nc2n1ncc2C#N)C 27a_100000741246_100012001930 [0,2,0,0,0,0|1,0,0]=3 81 B19R2.1707322 CCCC(C)Sc1cc(nc2n1ncc2C#N)C 62a_100000766640_100012001930 [0,2,0,0,0,0|2,0,0]=4 82 B19R2.1707322 COCC(C)Sc1cc(nc2n1ncc2C#N)C 62a_100000765312_100012001930 [0,2,0,0,0,0|2,0,0]=4 83 B19R2.1707322 COC[C@@H](C)Nc1cc(nc2n1ncc2C#N)C 27a_100000764878_100012001930 [0,2,0,0,0,0|1,0,0]=3 84 B19R2.1707322 Cc1cc(n2ncc(c2n1)C#N)N[C@@H](C)CC#N 27a_100016994482_100012001930 [0,2,0,0,0,0|1,0,0]=3 85 B19R2.1707322 Cc1cc(n2ncc(c2n1)C#N)N[C@H](C)CCO 27a_100000706166_100012001930 [0,2,0,0,0,0|1,0,0]=3 86 B19R2.1707322 Cc1cc(n2ncc(c2n1)C#N)SC(C)CC#N 62a_100009813641_100012001930 [0,2,0,0,0,0|2,0,0]=4 87 B19R2.1707322 Cc1cc(n2ncc(c2n1)C#N)SC(C)CCO 62a_100009893172_100012001930 [0,2,0,0,0,0|2,0,0]=4 88 B19R2.1629543 CCN(c1cc(nc2n1ncc2C#N)C)C(C)C 27a_100000223864_100012001930 [0,2,0,0,0,0|1,0,0]=3 89 B17R2.1296 CC(C)n1ccc(n1)Sc2[nH]ncc2C#N 62a_100012351941_100010888374 [0,0,1,1,0,0|2,0,0]=4 90 B17R3.627304 Cc1cc(n2ncc(c2n1)C#N)C3CC3 271570a_100011220607_100012001930 [1,0,0,1,0,0|2,0,0]=4 91 B19R3.1523461 Cc1cc(n2ncc(c2n1)C#N)C#CC3CC3 271570a_200009880635_100012001930 [0,0,0,1,0,1|2,0,0]=4 92 B19R3.1523461 Cc1cc(n2ncc(c2n1)C#N)C=CC3CC3 271570a_100102526188_100012001930 [0,0,0,1,0,1|2,0,0]=4 93 B19R3.1523461 Cc1cc(n2ncc(c2n1)C#N)NCC3CC3 27a_100000735609_100012001930 [0,0,0,1,0,1|1,0,0]=3 94 B19R3.1523461 Cc1cc(n2ncc(c2n1)C#N)SCC3CC3 62a_100000756562_100012001930 [0,0,0,1,0,1|2,0,0]=4 95 B19R3.1553352 Cc1cc(n2ncc(c2n1)C#N)N3CC(C3)C 27a_100000702820_100012001930 [0,0,0,1,0,1|1,0,0]=3 96 B19R3.1553352 Cc1cc(n2ncc(c2n1)C#N)N3CC(C3)F 27a_100000690557_100012001930 [0,0,0,1,0,1|2,0,0]=4 97 B19R3.1553352 Cc1cc(n2ncc(c2n1)C#N)N3CC(C3)O 27a_100000749847_100012001930 [0,0,0,1,0,1|2,0,0]=4 98 B19R3.1553358 Cc1cc(n2ncc(c2n1)C#N)N[C@@H]3C[C@@H]3F 27a_100015190264_100012001930 [0,0,0,1,0,1|2,0,0]=4 99 B19R3.1553358 Cc1cc(n2ncc(c2n1)C#N)N[C@@H]3C[C@H]3F 27a_100025746932_100012001930 [0,0,0,1,0,1|2,0,0]=4 100 B19R3.3639837 Cc1cc(n2ncc(c2n1)C#N)NC3(CC3)C 27a_100000757604_100012001930 [0,1,0,1,0,0|1,0,0]=3 101 B19R3.1523460 Cc1cc(n2ncc(c2n1)C#N)NC3CCC3 27a_100000749019_100012001930 [0,1,0,1,0,0|1,0,0]=3 102 B19R3.1523460 Cc1cc(n2ncc(c2n1)C#N)NC3COC3 27a_100016991112_100012001930 [0,1,0,1,0,0|1,0,0]=3 103 B19R3.1523460 Cc1cc(n2ncc(c2n1)C#N)NC3CSC3 27a_100016994217_100012001930 [0,1,0,1,0,0|1,0,0]=3 104 B19R3.1553348 Cc1cc(n2ncc(c2n1)C#N)N3CCC3C 27a_100000755817_100012001930 [0,1,0,1,0,0|1,0,0]=3 105 B19R3.3640686 C=C(c1cc(nc2n1ncc2C#N)C)C3CC3 271570a_100010895485_100012001930 [0,1,0,1,0,0|2,0,0]=4 106 B19R3.3640686 Cc1cc(n2ncc(c2n1)C#N)N(C)C3CC3 27a_100000226674_100012001930 [0,1,0,1,0,0|1,0,0]=3 107 B17R2.429394 CC(C)Oc1cc(c2c(cnn2c1)C#N)Br 7a_100052512437_100000210206 [0,0,0,0,1,1|1,1,0]=4 108 B17R2.429394 CC(C)Sc1cc(c2c(cnn2c1)C#N)O 62a_100000210206_100037901731 [0,0,0,0,1,1|2,0,0]=4 109 B19R2.1639426 CC(=CCNc1cc(nc2n1ncc2C#N)C)C 27a_100000718196_100012001930 [0,0,0,0,0,2|1,0,1]=4 110 B19R2.1639426 Cc1cc(n2ncc(c2n1)C#N)C=CCC(C)C 271570a_100016259101_100012001930 [0,0,0,0,0,2|2,0,0]=4 111 B19R2.1639426 Cc1cc(n2ncc(c2n1)C#N)NCCC(C)C 27a_100000210545_100012001930 [0,0,0,0,0,2|1,0,0]=3 112 B19R2.1639426 Cc1cc(n2ncc(c2n1)C#N)NCCC(C)O 27a_200000755665_100012001930 [0,0,0,0,0,2|2,0,0]=4 113 B19R2.1639426 Cc1cc(n2ncc(c2n1)C#N)NCCN(C)C 27a_100000210585_100012001930 [0,0,0,0,0,2|2,0,0]=4 114 B19R2.1639426 Cc1cc(n2ncc(c2n1)C#N)SCCC(C)C 62a_100000210312_100012001930 [0,0,0,0,0,2|2,0,0]=4 115 B19R2.1639426 Cc1cc(n2ncc(c2n1)C#N)SCOC(C)C 62a_100000709892_100012001930 [0,0,0,0,0,2|2,0,0]=4