0 B18R2.134 CCC1=NC(=S)NC(N)=C1c2ccc(Cl)cc2 Amb19405040 [0,0,0,0,0,0|1,0,1]=2 1 B18R2.134 CCc1nc(N)nc(N)c1-c2ccc(Cl)cc2 Amb24093706 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.134 CCc1nc(N)nc(N)c1-c2ccc(Cl)cc2 Amb8383746 [0,0,0,0,0,0|0,0,0]=0 3 B18R2.134 CCc1nc(N)nc(O)c1-c2ccc(Cl)cc2 Amb17596877 [0,0,0,0,0,0|1,0,0]=1 4 B18R2.134 CCc1nc(S)nc(N)c1-c2ccc(Cl)cc2 Amb6892141 [0,0,0,0,0,0|1,0,0]=1 5 B17R2.2487 CCC1SC(N)=NN=C1c2ccc(Cl)cc2 Amb32582582 [1,0,0,0,0,0|2,0,1]=4 6 B17R2.2487 COc1cc(N)ccc1-c2ccc(Cl)cc2 Amb17137538 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.2487 Cc1ccc(-c2ccc(Cl)cc2)c(CCl)n1 Amb32687947 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.2487 Cc1ccc(-c2ccc(Cl)cc2)c(CN)n1 Amb32687920 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.2487 Cc1ccc(-c2ccc(Cl)cc2)c(CO)n1 Amb32687946 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.18945 Cc1ccc(-c2c(C)nc(C)nc2N)cc1 Amb18066726 [1,0,0,0,0,0|2,0,0]=3 11 B17R2.18945 Cc1ccc(-c2c(C)nc(O)nc2N)cc1 Amb17340397 [1,0,0,0,0,0|2,0,0]=3 12 B17R2.18945 Cc1nc(C)c(-c2ccc(Br)cc2)c(N)n1 Amb18596187 [1,0,0,0,0,0|1,1,0]=3 13 B17R2.18945 Cc1nc(C)c(-c2ccc(Cl)cc2)c(N)n1 Amb18070834 [1,0,0,0,0,0|1,0,0]=2 14 B17R2.18945 Cc1nc(C)c(-c2ccc(F)cc2)c(N)n1 Amb18067275 [1,0,0,0,0,0|1,1,0]=3 15 B17R2.18945 Cc1nc(N)nc(N)c1-c2ccc(Cl)cc2 Amb18662412 [1,0,0,0,0,0|0,0,0]=1 16 B17R2.18945 Cc1nc(O)nc(N)c1-c2ccc(Cl)cc2 Amb17346776 [1,0,0,0,0,0|1,0,0]=2 17 B17R2.18945 Cc1nc(O)nc(N)c1-c2ccc(F)cc2 Amb17341212 [1,0,0,0,0,0|1,1,0]=3 18 B17R2.18945 NC1=C(c2ccc(Cl)cc2)C(=O)NC(S)=N1 Amb33353541 [1,0,0,0,0,0|2,0,1]=4 19 B17R2.2628 CCc1nn(C)c(N)c1-c2ccc(Cl)cc2 Amb8848695 [0,0,0,0,1,0|2,0,0]=3 20 B17R2.2628 CCc1nn(C)c(N)c1-c2ccc(F)cc2 Amb1485362 [0,0,0,0,1,0|2,1,0]=4 21 B19R2.7868 CSc1nc(N)nc(N)c1Cc2ccc(O)cc2 Amb30988182 [0,0,0,0,0,1|2,0,0]=3 22 B16R2.15 CCc1nc(N)ncc1-c2ccccc2 Amb35789279 [2,0,0,0,0,0|0,0,0]=2 23 B16R2.2247 Cc1nc(C)c(-c2ccccc2)c(N)n1 Amb18566155 [2,0,0,0,0,0|1,0,0]=3 24 B16R2.2247 Cc1nc(O)nc(N)c1-c2ccccc2 Amb17337659 [2,0,0,0,0,0|1,0,0]=3 25 B16R2.2247 Nc1nc(Cl)c(-c2ccccc2)c(Cl)n1 Amb1626665 [2,0,0,0,0,0|2,0,0]=4 26 B16R2.2247 Nc1nc(O)c(-c2ccccc2)c(O)n1 Amb2788787 [2,0,0,0,0,0|2,0,0]=4 27 B16R2.26 CNc1ncncc1-c2ccc(Br)cc2 Amb31122034 [2,0,0,0,0,0|1,1,0]=4 28 B16R2.26 CNc1ncncc1-c2ccc(C)cc2 Amb31116003 [2,0,0,0,0,0|2,0,0]=4 29 B16R2.26 CNc1ncncc1-c2ccc(Cl)cc2 Amb31162105 [2,0,0,0,0,0|1,0,0]=3 30 B16R2.26 CNc1ncncc1-c2ccc(F)cc2 Amb31116445 [2,0,0,0,0,0|1,1,0]=4 31 B16R2.26 NCc1ccncc1-c2ccc(Cl)cc2 Amb31175778 [2,0,0,0,0,0|2,0,0]=4 32 B16R2.26 NCc1ncccc1-c2ccc(Cl)cc2 Amb17320053 [2,0,0,0,0,0|2,0,0]=4 33 B16R2.33107 Cc1ccc(-c2c(C)ncnc2N)cc1 Amb18566158 [2,0,0,0,0,0|1,0,0]=3 34 B16R2.33107 Cc1ncnc(N)c1-c2ccc(Br)cc2 Amb18591398 [2,0,0,0,0,0|0,1,0]=3 35 B16R2.33107 Cc1ncnc(N)c1-c2ccc(Cl)cc2 Amb18067513 [2,0,0,0,0,0|0,0,0]=2 36 B16R2.33107 Cc1ncnc(N)c1-c2ccc(F)cc2 Amb18566669 [2,0,0,0,0,0|0,1,0]=3 37 B16R2.33107 Clc1ccc(-c2c(Cl)ncnc2Cl)cc1 Amb23116784 [2,0,0,0,0,0|2,0,0]=4 38 B16R2.33107 Fc1ncnc(F)c1-c2ccc(Cl)cc2 Amb30029174 [2,0,0,0,0,0|2,0,0]=4 39 B16R2.2857 Cc1cc(N)ncc1-c2ccc(N)cc2 Amb19092572 [2,0,0,0,0,0|2,0,0]=4 40 B16R2.2857 Cc1cc(N)ncc1-c2ccc(O)cc2 Amb18335604 [2,0,0,0,0,0|2,0,0]=4 41 B16R2.2857 Cc1ccc(-c2cnc(O)nc2N)cc1 Amb17337662 [2,0,0,0,0,0|2,0,0]=4 42 B16R2.2857 Cc1nc(N)ccc1-c2ccc(N)cc2 Amb18335677 [2,0,0,0,0,0|2,0,0]=4 43 B16R2.2857 Cc1nc(N)ccc1-c2ccc(O)cc2 Amb19092594 [2,0,0,0,0,0|2,0,0]=4 44 B16R2.2857 Cc1ncc(-c2ccc(Br)cc2)c(N)n1 Amb18591397 [2,0,0,0,0,0|1,1,0]=4 45 B16R2.2857 Cc1ncc(-c2ccc(Cl)cc2)c(N)n1 Amb5751331 [2,0,0,0,0,0|1,0,0]=3 46 B16R2.2857 Cc1ncc(-c2ccc(F)cc2)c(N)n1 Amb18280709 [2,0,0,0,0,0|1,1,0]=4 47 B16R2.2857 Nc1nc(O)ncc1-c2ccc(Br)cc2 Amb17361155 [2,0,0,0,0,0|1,1,0]=4 48 B16R2.2857 Nc1nc(O)ncc1-c2ccc(Cl)cc2 Amb3986907 [2,0,0,0,0,0|1,0,0]=3 49 B16R2.2857 Nc1nc(O)ncc1-c2ccc(F)cc2 Amb17338220 [2,0,0,0,0,0|1,1,0]=4 50 B16R2.2857 Nc1ncc(-c2ccc(Cl)cc2)c(N)n1 Amb33540553 [2,0,0,0,0,0|0,0,0]=2 51 B18R2.160 COc1nc(N)nc(OC)c1-c2ccccc2 Amb2610765 [1,1,0,0,0,0|2,0,0]=4 52 B18R2.4486 CCc1ccc(-c2c(C)nc(C)nc2N)cc1 Amb18571624 [1,1,0,0,0,0|2,0,0]=4 53 B18R2.4486 CCc1ccc(-c2c(C)nc(O)nc2N)cc1 Amb17344330 [1,1,0,0,0,0|2,0,0]=4 54 B18R2.4486 COc1ccc(-c2c(C)nc(C)nc2N)cc1 Amb18572081 [1,1,0,0,0,0|2,0,0]=4 55 B18R2.4486 COc1ccc(-c2c(C)nc(O)nc2N)cc1 Amb17344761 [1,1,0,0,0,0|2,0,0]=4 56 B18R2.7875 Cc1ccc(-c2c(C)nc(CN)nc2C)cc1 Amb31136893 [1,1,0,0,0,0|2,0,0]=4 57 B18R2.7875 Cc1nc(CN)nc(C)c1-c2ccc(Br)cc2 Amb31123486 [1,1,0,0,0,0|1,1,0]=4 58 B18R2.7875 Cc1nc(CN)nc(C)c1-c2ccc(F)cc2 Amb31119048 [1,1,0,0,0,0|1,1,0]=4 59 B18R2.93487 Cc1nc(C)c(-c2ccc(Cl)c(Cl)c2)c(N)n1 Amb18593091 [1,1,0,0,0,0|1,0,0]=3 60 B18R2.93487 Cc1nc(N)nc(N)c1-c2ccc(Cl)c(Cl)c2 Amb18137386 [1,1,0,0,0,0|0,0,0]=2 61 B18R2.93487 Cc1nc(O)nc(N)c1-c2ccc(Cl)c(Cl)c2 Amb17363511 [1,1,0,0,0,0|1,0,0]=3 62 B18R2.265715 CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2 Amb1394911 [1,1,0,0,0,0|1,0,1]=4 63 B18R2.265715 CC1(C)N=C(N)N=C(N)N1c2ccc(Cl)cc2 Amb4434621 [1,1,0,0,0,0|1,0,1]=4 64 B18R2.530096 Cc1ccc(-c2c(C)nc(C)nc2N)c(C)c1 Amb18571633 [1,1,0,0,0,0|2,0,0]=4 65 B18R2.530096 Cc1ccc(-c2c(C)nc(O)nc2N)c(C)c1 Amb17344333 [1,1,0,0,0,0|2,0,0]=4 66 B18R2.530096 Cc1nc(C)c(-c2ccc(Cl)cc2Cl)c(N)n1 Amb18593089 [1,1,0,0,0,0|1,0,0]=3 67 B18R2.530096 Cc1nc(O)nc(N)c1-c2ccc(Cl)cc2Cl Amb17363510 [1,1,0,0,0,0|1,0,0]=3 68 B18R2.2911 CCc1sc(N)c(C#N)c1-c2ccc(Cl)cc2 Amb17111294 [0,1,0,0,1,0|1,0,1]=4 69 B18R2.7411 CCCc1nn(C)c(N)c1-c2ccc(Cl)cc2 Amb8848699 [0,1,0,0,1,0|2,0,0]=4 70 B18R2.7411 COCc1nn(C)c(N)c1-c2ccc(Cl)cc2 Amb23503881 [0,1,0,0,1,0|2,0,0]=4 71 B20R2.5927140 CCC1(CC)N=C(N)N=C(N)C1c2ccc(Cl)cc2 Amb17597481 [0,2,0,0,0,0|0,0,2]=4 72 B18R2.6770 NC1=N\C(=N/c2ccc(Cl)cc2)NC(CCl)=N1 Amb22558121 [0,0,1,1,0,0|2,0,0]=4 73 B16R2.2410 CCc1nn(C)c(N)c1-c2ccccc2 Amb5259020 [1,0,0,0,1,0|2,0,0]=4 74 B16R2.7547 CCc1noc(N)c1-c2ccc(Br)cc2 Amb9213911 [1,0,0,0,1,0|1,1,0]=4 75 B16R2.7547 CCc1noc(N)c1-c2ccc(C)cc2 Amb17237470 [1,0,0,0,1,0|2,0,0]=4 76 B16R2.7547 CCc1noc(N)c1-c2ccc(Cl)cc2 Amb6480207 [1,0,0,0,1,0|1,0,0]=3 77 B16R2.7547 CCc1noc(N)c1-c2ccc(F)cc2 Amb1161457 [1,0,0,0,1,0|1,1,0]=4 78 B16R2.2366 CCc1nc(Cl)nn1-c2ccc(Cl)cc2 Amb7093738 [1,0,0,0,1,0|2,0,0]=4 79 B16R2.2366 CCc1sc(N)nc1-c2ccc(Br)cc2 Amb1395768 [1,0,0,0,1,0|1,1,0]=4 80 B16R2.2366 CCc1sc(N)nc1-c2ccc(C)cc2 Amb2503231 [1,0,0,0,1,0|2,0,0]=4 81 B16R2.2366 CCc1sc(N)nc1-c2ccc(Cl)cc2 Amb2502997 [1,0,0,0,1,0|1,0,0]=3 82 B16R2.2366 CCc1sc(N)nc1-c2ccc(F)cc2 Amb4552143 [1,0,0,0,1,0|1,1,0]=4 83 B16R2.2366 NCc1sc(N)nc1-c2ccc(Cl)cc2 Amb17158866 [1,0,0,0,1,0|2,0,0]=4 84 B16R2.2366 Nc1nc(-c2ccc(Cl)cc2)c(CO)s1 Amb17410303 [1,0,0,0,1,0|2,0,0]=4 85 B16R2.2622 CCc1c(-c2ccc(Cl)cc2)noc1N Amb9536497 [1,0,0,0,1,0|2,0,0]=4 86 B16R2.2622 CCn1c(-c2ccc(Cl)cc2)cnc1Cl Amb7093876 [1,0,0,0,1,0|2,0,0]=4 87 B16R2.2622 CCn1c(-c2ccc(Cl)cc2)cnc1N Amb1981373 [1,0,0,0,1,0|1,0,0]=3 88 B16R2.33106 Cc1c(-c2ccc(Cl)cc2)c(N)nn1C Amb18867176 [1,0,0,0,1,0|2,0,0]=4 89 B16R2.33106 Cc1nn(C)c(-c2ccc(Cl)cc2)c1N Amb31109457 [1,0,0,0,1,0|2,0,0]=4 90 B16R2.33106 Cc1nn(C)c(N)c1-c2ccc(Cl)cc2 Amb8848691 [1,0,0,0,1,0|2,0,0]=4 91 B18R2.94086 CC1=C(Cc2ccc(Cl)cc2)C(=O)NC(N)=N1 Amb19651154 [1,0,0,0,0,1|1,0,1]=4 92 B18R2.94086 Cc1ccc(Cc2c(C)nc(N)nc2O)cc1 Amb24115959 [1,0,0,0,0,1|2,0,0]=4 93 B18R2.94086 Cc1nc(C)c(Cc2ccc(Cl)cc2)c(Cl)n1 Amb5723897 [1,0,0,0,0,1|2,0,0]=4 94 B18R2.94086 Cc1nc(Cl)nc(C)c1Cc2ccc(Cl)cc2 Amb19514320 [1,0,0,0,0,1|2,0,0]=4 95 B18R2.94086 Cc1nc(N)nc(Cl)c1Cc2ccc(Cl)cc2 Amb2722341 [1,0,0,0,0,1|1,0,0]=3 96 B18R2.94086 Cc1nc(S)nc(O)c1Cc2ccc(Cl)cc2 Amb6565405 [1,0,0,0,0,1|2,0,0]=4 97 B18R2.94086 Nc1nc(O)c(Cc2ccc(Cl)cc2)c(O)n1 Amb32417427 [1,0,0,0,0,1|2,0,0]=4 98 B18R2.28143 N#Cc1c(N)nc(N)nc1-c2ccc(Cl)cc2 Amb2613235 [0,0,0,0,1,1|1,0,1]=4