0 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.23 CC(Cl)C(=O)NC(=O)N Z56915885 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.23 CN(C)/C(=N/C(=N)N)/N Z2244578658 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.23 CN(C)C(=O)CC(=O)O Z963467438 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.2 CNC(=O)CC(=N)N Z3024198799 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 CNC(=O)NC(=O)N Z56755567 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.5 CN(C)C(=N)NC#N Z2681055330 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.5 CN(C)C(=O)CCN Z802671460 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.6 CC(=NNC(=S)N)C Z57128338 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.6 CC(C)OCC(=N)N Z1511495251 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.6 CN(C)CCC(=N)N Z2582511037 [1,0,0,0,0,0|1,0,1]=3 13 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.6 CN(C)CCC(=S)N Z370706836 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.35 CC(=O)C1=CN=C(N1)N Z1198276815 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC(C)C1=CC(=NO1)N Z1198357809 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 CC(C)C1=CN=C(S1)N Z1171158176 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.35 CC(C)C1=NN=C(N1)N Z993991054 [0,0,0,1,0,0|1,0,0]=2 19 B9R1.35 CC(C)C1=NN=C(N1)S Z56930794 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.35 CC(C)C1=NN=C(O1)N Z285233896 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.35 CC(C)C1=NN=C(O1)S Z55879448 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.35 CC(C)C1=NN=C(S1)Br Z1136468833 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.35 CC(C)C1=NN=C(S1)N Z56871803 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.35 CC(C)C1=NNC(=C1)N Z360149362 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.35 CC(C)C1=NNC(=O)C1 Z50146000 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.35 CC(C)C1=NNC(=O)N1 Z2749971780 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.35 CC(C)C1=NNC(=O)O1 Z1198165279 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.35 CC(C)C1=NOC(=C1)N Z56985760 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.35 CC(C)C1=NOC(=N1)N Z991477728 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.35 CC(C)C1=NSC(=N1)N Z431702572 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.35 CC(N)C1=NN=C(S1)N Z3244921988 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.35 CC1=NNC(=N1)N(C)C Z1970082360 [0,0,0,1,0,0|1,0,2]=4 33 B9R1.35 CN(C)C1=NC(=N)CS1 Z57018849 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.35 CN(C)C1=NC(=NN1)N Z2037266943 [0,0,0,1,0,0|0,0,2]=3 35 B9R1.35 CN(C)C1=NN=C(S1)N Z1203583585 [0,0,0,1,0,0|1,0,0]=2 36 B9R1.35 CN(C)C1=NN=C(S1)S Z855783682 [0,0,0,1,0,0|2,0,0]=3 37 B9R1.38 CC1(NC(=O)NC1=O)C Z56766998 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.69 CC1=NN=C(NC1=O)N Z1198160530 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.69 CC1CNC(=O)NC1=O Z55928832 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.69 CN1C=NC(=CC1=O)N Z1203580737 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.69 CN1CCC(=NC1=O)N Z2289798132 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.69 CN1CCC(=O)NC1=O Z852405042 [0,0,0,1,0,0|3,0,0]=4 43 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,0,0,0,1,0|2,0,1]=4 44 B7R0.16 CC(C)N(C)C(=N)N Z2432659176 [0,0,0,0,1,0|3,0,0]=4 45 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [0,0,0,0,1,0|2,0,1]=4 46 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [0,0,0,0,1,0|2,0,1]=4 47 B9R0.7 CC(=O)NCC(=O)N(C)C Z32014369 [0,0,0,0,0,1|3,0,0]=4 48 B6R0.1 CCNC(=N)NC Z1357224692 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.2 CC(=O)NC(=N)N Z1203578060 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.2 CC(=O)NC(=O)N Z104476284 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.2 CC(C)NC(=N)N Z1650168329 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.2 N=C(N)CC(=N)N Z1357774279 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.2 N=C(N)CC(=O)N Z104480060 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.2 N=C(N)NC(=N)N Z2574927435 [2,0,0,0,0,0|0,0,0]=2 55 B6R0.2 NC(=O)NC(=O)N Z57206006 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.3 CC(C)C(=O)NN Z56926537 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.3 CN(C)C(=N)CN Z220638406 [2,0,0,0,0,0|0,0,1]=3 58 B6R0.3 CN(C)C(=O)CN Z54751082 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.3 CNC(=N)N(C)C Z3380814034 [2,0,0,0,0,0|0,0,1]=3 60 B8R1.1 CCC1=NN=C(O1)N Z285233906 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.1 CCC1=NN=C(S1)N Z57052870 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.1 CNC1=NC(=NN1)N Z1483956641 [1,0,0,1,0,0|0,0,2]=4 63 B8R1.1 CNC1=NN=C(S1)C Z274417684 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.1 CNC1=NN=C(S1)S Z90662867 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.1 CSC1=NN=C(N1)N Z18356875 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.1 CSC1=NN=C(S1)N Z18452635 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.1 NC1=NN=C(N1)CO Z600620424 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.4 O=C1NCNC(=O)N1 Z147642476 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.18 CC1=C(NC(=N1)N)C Z2418413556 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.18 CC1=CC(=NN1C)N Z995041200 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.18 CC1=NC(=NN1C)N Z1198175662 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.18 CN1N=C(SC1=O)N Z1203580580 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.5 CN1CNCNC1=O Z5130722475 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.7 CC(C)C1=NC=CN1 Z335243296 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.7 CC(C)C1=NN=CN1 Z2130643548 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.7 CC(C)C1=NN=NN1 Z335291104 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.7 CC(C)C1=NNC=C1 Z815437700 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.7 CC(O)C1=NN=CN1 Z2587997232 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.7 CN(C)C1=NN=CN1 Z4969995706 [1,0,0,1,0,0|0,0,0]=2 82 B8R1.7 CS(=O)C1=NN=CN1 Z1123802519 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.3 CC1CN=C(NC1)N Z1203586632 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.3 CN1CN=C(NC1)S Z57980315 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.50 CC1=C(N=NN1C)N Z2326994790 [0,0,0,1,1,0|2,0,0]=4 86 B10R1.13 CN(C)C1=NC=C(C=N1)N Z760032920 [0,0,0,1,0,1|1,0,1]=4 87 B10R1.13 CN(C)C1=NN=C(C=C1)Cl Z108583898 [0,0,0,1,0,1|2,0,0]=4 88 B10R1.54 CC(C)CC1=NN=C(O1)N Z285233910 [0,0,0,1,0,1|2,0,0]=4 89 B10R1.54 CC(C)CC1=NN=C(S1)N Z56791573 [0,0,0,1,0,1|2,0,0]=4 90 B10R1.54 CC1=NN=C(N1)CC(C)C Z927196228 [0,0,0,1,0,1|2,0,0]=4 91 B10R1.54 CN(C)CC1=NN=C(O1)S Z56347333 [0,0,0,1,0,1|2,0,0]=4 92 B10R1.55 CC(C)(C)C1=NN=C(O1)N Z285233712 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.55 CC(C)(C)C1=NN=C(S1)N Z56755572 [0,1,0,1,0,0|2,0,0]=4 94 B10R1.55 CC(C)(O)C1=NN=C(O1)N Z1203589983 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.14 CNC(=O)C1=NN=C(N1)N Z328633100 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.194 CC(C)C1=NN=C(N1N)S Z55982079 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.113 CN(C)C1=CC(=CN=C1)N Z1203580695 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.113 CN(C)C1=CC(=NC=C1)N Z1649893457 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.113 CN(C)C1=CC(=O)NN=C1 Z2301438383 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.113 CN(C)C1=NC(=NC=C1)N Z1203579775 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.113 CN(C)C1=NC(=NC=N1)N Z1165162994 [0,1,0,1,0,0|0,0,1]=3 102 B10R1.113 CN(C)C1=NC=CC(=C1)N Z851809480 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.113 CN(C)C1=NC=NC(=C1)N Z1203579223 [0,1,0,1,0,0|1,0,0]=3 104 B10R1.31 CC(C)C1=NN=C(S1)CN Z1335657495 [0,1,0,1,0,0|2,0,0]=4 105 B10R1.31 CN(C)C1=NN=C(N1)CN Z2690949474 [0,1,0,1,0,0|0,0,0]=2 106 B10R2.14 CC1=NN=C(N1)C2CC2 Z927193238 [0,0,0,2,0,0|2,0,0]=4 107 B10R2.14 NC1=NN=C(N1)C2CC2 Z802556338 [0,0,0,2,0,0|1,0,0]=3 108 B10R2.14 NC1=NN=C(O1)C2CC2 Z235362809 [0,0,0,2,0,0|2,0,0]=4 109 B10R2.14 NC1=NN=C(S1)C2CC2 Z56899104 [0,0,0,2,0,0|2,0,0]=4 110 B8R0.28 CC(=CCNC(=N)N)C Z2687203850 [1,0,0,0,0,1|1,0,0]=3 111 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [1,0,0,0,0,1|1,0,1]=4