0 B17R2.193 Cc1nc(OCc2ccccc2)ncc1Br Amb28343465 [0,0,0,0,0,0|3,1,0]=4 1 B17R2.193 Nc1nc(NCc2ccccc2)ncc1F Amb27156202 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.132 Brc1ccc(SCc2ccccc2)nc1 Amb27610829 [1,0,0,0,0,0|3,0,0]=4 3 B16R2.132 Brc1cnc(NCc2ccccc2)nc1 Amb4553621 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.132 Brc1cnc(OCc2ccccc2)nc1 Amb22047371 [1,0,0,0,0,0|2,1,0]=4 5 B16R2.132 Brc1cnc(SCc2ccccc2)cn1 Amb28292794 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.132 Brc1cnc(SCc2ccccc2)nc1 Amb21856640 [1,0,0,0,0,0|2,0,0]=3 7 B16R2.132 Clc1ccc(SCc2ccccc2)nn1 Amb8873141 [1,0,0,0,0,0|2,0,1]=4 8 B16R2.132 Clc1cnc(NCc2ccccc2)nc1 Amb2796321 [1,0,0,0,0,0|3,0,0]=4 9 B16R2.132 Clc1cnc(SCc2ccccc2)cn1 Amb27640374 [1,0,0,0,0,0|2,0,1]=4 10 B16R2.132 Ic1cnc(NCc2ccccc2)nc1 Amb28140258 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.132 Nc1cnc(CCc2ccccc2)nc1 Amb17486617 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.132 Nc1cnc(NCc2ccccc2)nc1 Amb18290412 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.132 Nc1cnc(OCc2ccccc2)nc1 Amb18972705 [1,0,0,0,0,0|2,1,0]=4 14 B16R2.132 O=C1C=CC(NCc2ccccc2)=CN1 Amb27851180 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.132 O=C1N=CC(SCc2ccccc2)=CN1 Amb33038297 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.252 Brc1ccnc(OCc2ccccc2)n1 Amb25671334 [1,0,0,0,0,0|2,1,0]=4 17 B16R2.252 Cc1ccnc(NCc2ccccc2)n1 Amb8425341 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.252 Cc1ccnc(OCc2ccccc2)n1 Amb24445301 [1,0,0,0,0,0|2,1,0]=4 19 B16R2.252 Clc1ccnc(CCc2ccccc2)n1 Amb27487923 [1,0,0,0,0,0|3,0,0]=4 20 B16R2.252 Clc1ccnc(NCc2ccccc2)n1 Amb22749353 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.252 Clc1ccnc(SCc2ccccc2)c1 Amb22236362 [1,0,0,0,0,0|3,0,0]=4 22 B16R2.252 Clc1cncc(SCc2ccccc2)n1 Amb8873489 [1,0,0,0,0,0|2,0,1]=4 23 B16R2.252 Fc1cccc(SCc2ccccc2)n1 Amb27610813 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.252 Fc1ccnc(CCc2ccccc2)n1 Amb35649263 [1,0,0,0,0,0|3,0,0]=4 25 B16R2.252 Fc1cncc(SCc2ccccc2)n1 Amb35712142 [1,0,0,0,0,0|2,0,1]=4 26 B16R2.252 Nc1ccnc(NCc2ccccc2)n1 Amb20248765 [1,0,0,0,0,0|3,0,0]=4 27 B16R2.252 Nc1ccnc(OCc2ccccc2)n1 Amb19957527 [1,0,0,0,0,0|2,1,0]=4 28 B16R2.252 Nc1ccnc(SCc2ccccc2)c1 Amb18981546 [1,0,0,0,0,0|3,0,0]=4 29 B16R2.252 Nc1ncnc(SCc2ccccc2)n1 Amb6754211 [1,0,0,0,0,0|3,0,0]=4 30 B16R2.252 O=C1C=CN=C(SCc2ccccc2)N1 Amb17997525 [1,0,0,0,0,0|1,0,2]=4 31 B16R2.252 Oc1cccc(NCc2ccccc2)n1 Amb27767162 [1,0,0,0,0,0|3,0,0]=4 32 B18R2.2562 Nc1nc(SCc2ccccc2)ncc1C=O Amb24094569 [0,1,0,0,0,0|2,0,0]=3 33 B18R2.2686 COc1nc(NCc2ccccc2)ncc1Br Amb27872944 [0,1,0,0,0,0|3,0,0]=4 34 B16R2.124 Clc1nc(Cc2ccccc2)ncc1I Amb27407534 [0,0,0,0,1,0|3,0,0]=4 35 B16R2.124 Fc1nc(Cc2ccccc2)ncc1Br Amb35642352 [0,0,0,0,1,0|3,0,0]=4 36 B16R2.124 Fc1nc(Cc2ccccc2)ncc1I Amb35634415 [0,0,0,0,1,0|3,0,0]=4 37 B15R2.2195 c1ccc(CSc2ccccn2)cc1 Amb3862159 [2,0,0,0,0,0|2,0,0]=4 38 B15R2.2195 c1ccc(CSc2cccnn2)cc1 Amb25785634 [2,0,0,0,0,0|1,0,1]=4 39 B15R2.2195 c1ccc(CSc2ncccn2)cc1 Amb1263972 [2,0,0,0,0,0|1,0,0]=3 40 B15R2.2195 c1ccc(CSc2ncccn2)nc1 Amb9820311 [2,0,0,0,0,0|2,0,0]=4 41 B15R2.2195 c1cnc(SCc2ccncc2)nc1 Amb9824898 [2,0,0,0,0,0|2,0,0]=4 42 B17R2.48 O=Cc1cnc(CCc2ccccc2)nc1 Amb20413104 [1,1,0,0,0,0|2,0,0]=4 43 B17R2.48 O=Cc1cnc(NCc2ccccc2)nc1 Amb841060 [1,1,0,0,0,0|2,0,0]=4 44 B17R2.48 O=Cc1cnc(SCc2ccccc2)nc1 Amb10607882 [1,1,0,0,0,0|1,0,0]=3 45 B17R2.5360 O=C1NN=C(SCc2ccccc2)C(=S)N1 Amb18525276 [1,1,0,0,0,0|2,0,0]=4 46 B17R2.1819 OCc1ccnc(CCc2ccccc2)n1 Amb33540049 [1,1,0,0,0,0|2,0,0]=4 47 B17R2.3212 Cc1cc(Cl)nc(SCc2ccccc2)n1 Amb5723888 [1,1,0,0,0,0|2,0,0]=4 48 B17R2.3212 Cc1cc(O)nc(NCc2ccccc2)n1 Amb577562 [1,1,0,0,0,0|2,0,0]=4 49 B17R2.3212 Cc1cc(O)nc(SCc2ccccc2)n1 Amb586591 [1,1,0,0,0,0|1,0,0]=3 50 B17R2.3212 Nc1cc(N)nc(SCc2ccccc2)n1 Amb2714426 [1,1,0,0,0,0|2,0,0]=4 51 B17R2.3212 Nc1cc(O)nc(CCc2ccccc2)n1 Amb19923596 [1,1,0,0,0,0|2,0,0]=4 52 B17R2.3212 Nc1cc(O)nc(SCc2ccccc2)n1 Amb2496166 [1,1,0,0,0,0|1,0,0]=3 53 B17R2.3212 Oc1cc(F)nc(NCc2ccccc2)n1 Amb22437175 [1,1,0,0,0,0|2,0,0]=4 54 B17R2.3212 Oc1cc(O)nc(NCc2ccccc2)n1 Amb26526597 [1,1,0,0,0,0|2,0,0]=4 55 B17R2.5273 NC(Cc1ccccc1)c2nccc(O)n2 Amb18225399 [1,1,0,0,0,0|2,0,0]=4 56 B17R2.5300 Nc1cccc(CCc2nccc(O)n2)c1 Amb18225381 [1,1,0,0,0,0|2,0,0]=4 57 B17R2.5300 Nc1cccc(CSc2nccc(O)n2)c1 Amb9208381 [1,1,0,0,0,0|1,0,0]=3 58 B17R2.5300 Oc1ccnc(CCc2cccc(Br)c2)n1 Amb18888868 [1,1,0,0,0,0|2,0,0]=4 59 B17R2.5300 Oc1ccnc(SCc2cccc(Br)c2)n1 Amb1897957 [1,1,0,0,0,0|1,0,0]=3 60 B17R2.41893 Cc1ccnc(SCc2ccccc2Cl)n1 Amb3696618 [1,1,0,0,0,0|2,0,0]=4 61 B17R2.41893 Nc1ccccc1CCc2nccc(O)n2 Amb18225379 [1,1,0,0,0,0|2,0,0]=4 62 B17R2.41893 Oc1ccnc(CCc2ccccc2Br)n1 Amb18888865 [1,1,0,0,0,0|2,0,0]=4 63 B17R2.2600 O=Cc1sc(SCc2ccccc2)nc1Cl Amb19663773 [0,1,0,0,1,0|2,0,0]=4 64 B19R2.43094 Nc1nc(SCc2ccccc2)nc(N)c1N=O Amb2609351 [0,2,0,0,0,0|2,0,0]=4 65 B19R2.91860 Nc1nc(SCc2ccccc2)ncc1C(=O)O Amb22033142 [0,2,0,0,0,0|2,0,0]=4 66 B19R2.91860 O=C(O)c1cnc(CCc2ccccc2)nc1O Amb19923768 [0,2,0,0,0,0|2,0,0]=4 67 B19R2.91860 O=C(O)c1cnc(SCc2ccccc2)nc1O Amb2503819 [0,2,0,0,0,0|1,0,0]=3 68 B19R2.12418 O=C(O)c1nc(SCc2ccccc2)ncc1Cl Amb1112486 [0,2,0,0,0,0|2,0,0]=4 69 B17R2.5637 NC(=O)c1cc(OCc2ccccc2)no1 Amb10604451 [0,0,1,1,0,0|1,1,0]=4 70 B15R1.1321 CNC(=O)\C(Cl)=C\SCc1ccccc1 Amb29848695 [0,0,1,0,1,0|2,0,0]=4 71 B15R2.29 Brc1cnc(Sc2ccccc2)nc1 Amb28363924 [1,0,0,0,1,0|2,0,0]=4 72 B15R2.29 Nc1cnc(Cc2ccccc2)nc1 Amb8836182 [1,0,0,0,1,0|2,0,0]=4 73 B15R2.29 Nc1cnc(Sc2ccccc2)nc1 Amb18951554 [1,0,0,0,1,0|2,0,0]=4 74 B15R2.29 O=C1C=CC(Oc2ccccc2)=NN1 Amb26961886 [1,0,0,0,1,0|1,1,0]=4 75 B15R2.283 Clc1nc(SCc2ccccc2)ns1 Amb4005070 [1,0,0,0,1,0|2,0,0]=4 76 B15R2.283 Nc1cnc(SCc2ccccc2)s1 Amb28351729 [1,0,0,0,1,0|2,0,0]=4 77 B15R2.283 Nc1nc(SCc2ccccc2)ns1 Amb6356913 [1,0,0,0,1,0|2,0,0]=4 78 B15R2.283 O=C1N=C(NCc2ccccc2)SN1 Amb27182464 [1,0,0,0,1,0|2,0,0]=4 79 B15R2.283 O=C1NC(OCc2ccccc2)=NO1 Amb27588052 [1,0,0,0,1,0|1,1,0]=4 80 B15R2.283 S=C1NN=C(SCc2ccccc2)S1 Amb19533623 [1,0,0,0,1,0|1,1,0]=4 81 B15R2.31 Clc1ccnc(Cc2ccccc2)n1 Amb33532354 [1,0,0,0,1,0|2,0,0]=4 82 B15R2.31 Fc1ccnc(Cc2ccccc2)n1 Amb35653635 [1,0,0,0,1,0|2,0,0]=4 83 B15R2.31 Nc1ccnc(Cc2ccccc2)n1 Amb18959417 [1,0,0,0,1,0|2,0,0]=4 84 B15R2.31 Nc1ccnc(Sc2ccccc2)n1 Amb27263492 [1,0,0,0,1,0|2,0,0]=4 85 B15R2.31 Oc1cccc(Cc2ccccc2)n1 Amb4450119 [1,0,0,0,1,0|2,0,0]=4 86 B15R2.94 CC1=CC(c2ccccc2)=NNC1=O Amb22034430 [0,0,0,0,2,0|2,0,0]=4 87 B15R2.94 Cc1cnc(-c2ccccc2)nc1O Amb24308907 [0,0,0,0,2,0|2,0,0]=4 88 B15R2.94 Cc1nnc(-c2ccccc2)nc1O Amb2434456 [0,0,0,0,2,0|1,0,1]=4 89 B15R2.94 NC1=CC(c2ccccc2)=NNC1=O Amb18016084 [0,0,0,0,2,0|2,0,0]=4 90 B15R2.94 NC1=NC(c2ccncc2)=NNC1=O Amb27667670 [0,0,0,0,2,0|2,0,0]=4 91 B15R2.94 O=C1NC=C(c2ccccc2)C=C1O Amb27629139 [0,0,0,0,2,0|2,0,0]=4 92 B15R2.94 O=C1NN=C(c2ccccc2)CC1O Amb28340508 [0,0,0,0,2,0|1,0,1]=4 93 B15R2.314 O=C1N=C(Cc2ccccc2)NC1=O Amb28044485 [0,0,0,0,2,0|0,0,1]=3