0 B19R3.28 c1ccc(C[n+]2cccc3ccccc32)cc1 Amb21912644 [0,0,0,0,0,0|4,0,0]=4 1 B19R3.28 c1ccc(C[n+]2cccc3ccccc32)cc1 Amb6600568 [0,0,0,0,0,0|4,0,0]=4 2 B19R3.28 c1ccc(Cc2cncc3ccccc23)cc1 Amb2233368 [0,0,0,0,0,0|2,0,0]=2 3 B19R3.28 c1ccc(Cc2nccc3ccccc23)cc1 Amb4010623 [0,0,0,0,0,0|4,0,0]=4 4 B19R3.28 c1ccc(Nc2cccc3ccccc23)cc1 Amb6334927 [0,0,0,0,0,0|2,0,1]=3 5 B19R3.28 c1ccc(Nc2cccc3ccccc23)cc1 Amb6365745 [0,0,0,0,0,0|2,0,1]=3 6 B19R3.28 c1ccc(Nc2cccc3ccccc23)nc1 Amb18268149 [0,0,0,0,0,0|3,0,1]=4 7 B19R3.28 c1ccc(Nc2cccc3cnccc23)cc1 Amb18355988 [0,0,0,0,0,0|3,0,1]=4 8 B19R3.28 c1ccc(Nc2ccnc3ccccc23)cc1 Amb10554944 [0,0,0,0,0,0|3,0,1]=4 9 B19R3.28 c1ccc(Oc2cnnc3ccccc23)cc1 Amb24309210 [0,0,0,0,0,0|3,0,0]=3 10 B19R3.28 c1ccc(\N=c2\cccc3ccccn23)cc1 Amb2609801 [0,0,0,0,0,0|3,0,0]=3 11 B19R3.28 c1ccc2c(Nc3ccncc3)cccc2c1 Amb18268147 [0,0,0,0,0,0|1,0,2]=3 12 B19R3.28 c1cnc2c(Nc3ccncc3)cccc2c1 Amb18931974 [0,0,0,0,0,0|2,0,2]=4 13 B20R3.153 Cc1ccc(Nc2cccc3ccccc23)cc1 Amb6457965 [0,1,0,0,0,0|2,0,1]=4 14 B20R3.153 Fc1ccc(Nc2cccc3ccccc23)cc1 Amb8392351 [0,1,0,0,0,0|2,0,1]=4 15 B20R3.153 Nc1ccc(Oc2cccc3ccccc23)cc1 Amb1057380 [0,1,0,0,0,0|3,0,0]=4 16 B20R3.153 Nc1ccc(Oc2nncc3ccccc23)cc1 Amb9378099 [0,1,0,0,0,0|3,0,0]=4 17 B20R3.161 Clc1cccc(Nc2cccc3ccccc23)c1 Amb18268142 [0,1,0,0,0,0|2,0,1]=4 18 B20R3.161 Fc1cccc(Nc2cccc3ccccc23)c1 Amb18931100 [0,1,0,0,0,0|2,0,1]=4 19 B20R3.265 Nc1ccccc1Oc2cccc3ccccc23 Amb6676201 [0,1,0,0,0,0|3,0,0]=4 20 B20R3.265 Nc1cnccc1Nc2cccc3ccccc23 Amb7802374 [0,1,0,0,0,0|1,0,2]=4 21 B20R3.451 Oc1ccc2ccccc2c1Cc3ccccc3 Amb10558975 [0,1,0,0,0,0|3,0,0]=4 22 B20R3.13189 Cc1nnc(Oc2ccccc2)c3ccccc13 Amb578359 [0,1,0,0,0,0|3,0,0]=4 23 B20R3.13189 Clc1nnc(Cc2ccccc2)c3ccccc13 Amb534817 [0,1,0,0,0,0|3,0,0]=4 24 B20R3.13189 Clc1nnc(Cc2ccncc2)c3ccccc13 Amb648433 [0,1,0,0,0,0|2,0,1]=4 25 B20R3.13189 O=C1N=CN(Cc2ccccc2)c3ccccc31 Amb22752724 [0,1,0,0,0,0|3,0,0]=4 26 B20R3.13189 Sc1nnc(Cc2ccccc2)c3ccccc13 Amb24121262 [0,1,0,0,0,0|3,0,0]=4 27 B20R3.34883 NC(c1ccccc1)c2cccc3ccccc23 Amb19373595 [0,1,0,0,0,0|3,0,0]=4 28 B20R3.34883 NC(c1ccccc1)c2cccc3ccccc23 Amb9724707 [0,1,0,0,0,0|3,0,0]=4 29 B20R3.34883 O=C(c1ccccc1)c2cccc3ccccc23 Amb4009584 [0,1,0,0,0,0|3,0,0]=4 30 B20R3.34883 O=C(c1ccccc1)c2cncc3ccccc23 Amb13891319 [0,1,0,0,0,0|2,0,0]=3 31 B20R3.34883 O=C(c1ccncc1)c2cccc3ccccc23 Amb24309283 [0,1,0,0,0,0|2,0,1]=4 32 B20R3.34883 OC(c1ccccc1)c2cccc3ccccc23 Amb4013422 [0,1,0,0,0,0|3,0,0]=4 33 B18R2.2525 C(=C\Nc1ccccc1)/C=N/c2ccccc2 Amb1419375 [0,0,1,0,0,0|3,0,0]=4 34 B18R2.2525 C(=C\Nc1ccccc1)/C=N/c2ccccc2 Amb33715370 [0,0,1,0,0,0|3,0,0]=4 35 B20R4.2602 c1ccc-2c(c1)Cc3c2ccc4ccccc34 Amb4012539 [0,0,0,1,0,0|3,0,0]=4 36 B20R4.2602 c1ccc2c(c1)ccc3c4ccccc4oc23 Amb22369687 [0,0,0,1,0,0|3,0,0]=4 37 B20R4.2602 c1ccc2c(c1)ccc3c4ccccc4sc23 Amb22347774 [0,0,0,1,0,0|3,0,0]=4 38 B18R3.2098 c1ccc(Cc2ncc3ccccn23)cc1 Amb22723321 [0,0,0,0,1,0|3,0,0]=4 39 B18R3.2098 c1ccc(Cn2ccc3ccccc32)cc1 Amb6353698 [0,0,0,0,1,0|3,0,0]=4 40 B18R3.2098 c1ccc(Cn2cnc3ccccc32)cc1 Amb1219763 [0,0,0,0,1,0|3,0,0]=4 41 B18R3.2098 c1ccc(Cn2ncc3ccccc32)cc1 Amb8563492 [0,0,0,0,1,0|3,0,0]=4 42 B18R3.2098 c1ccc(Nc2nsc3ccccc23)cc1 Amb31182394 [0,0,0,0,1,0|2,0,1]=4 43 B18R3.2108 C1=C(c2cncc3ccccc23)CCNC1 Amb32751171 [0,0,0,0,1,0|0,0,3]=4 44 B18R3.2108 C1=C(c2cncc3ccccc23)CCNC1 Amb33276177 [0,0,0,0,1,0|0,0,3]=4 45 B18R3.2108 c1ccc(-c2cccc3ccccc23)cc1 Amb17778263 [0,0,0,0,1,0|2,0,0]=3 46 B18R3.2108 c1ccc(-c2ccnc3ccccc23)cc1 Amb19958710 [0,0,0,0,1,0|3,0,0]=4 47 B18R3.2108 c1ccc(-c2nccc3ccccc23)cc1 Amb2609986 [0,0,0,0,1,0|3,0,0]=4 48 B20R3.2720 C(=C\c1cccc2ccccc12)/c3ccccc3 Amb2618631 [0,0,0,0,0,1|3,0,0]=4 49 B20R3.2720 C(=C\c1cccc2ccccc12)/c3ccncc3 Amb22496673 [0,0,0,0,0,1|2,0,1]=4 50 B20R3.2720 C(=N/c1cccc2ccccc12)/c3ccccc3 Amb611902 [0,0,0,0,0,1|2,0,0]=3 51 B20R3.2720 C(=N\c1cccc2ccccc12)/c3ccccc3 Amb2582558 [0,0,0,0,0,1|2,0,0]=3 52 B20R3.2720 C(=N\c1ccccc1)/c2cccc3ccccc23 Amb3699270 [0,0,0,0,0,1|2,0,0]=3 53 B20R3.2720 c1ccc(CNc2cccc3ccccc23)cc1 Amb839001 [0,0,0,0,0,1|2,0,1]=4 54 B20R3.2720 c1ccc(COc2cccc3ccccc23)cc1 Amb6360521 [0,0,0,0,0,1|3,0,0]=4 55 B20R3.2720 c1ccc(NCc2cccc3ccccc23)cc1 Amb838169 [0,0,0,0,0,1|2,0,1]=4 56 B19R3.288 O=C1Nc2ccccc2\C1=N/c3ccccc3 Amb20527651 [0,1,0,0,1,0|1,0,1]=4 57 B19R3.288 O=C1Nc2ccccc2\C1=N\c3ccccc3 Amb1774503 [0,1,0,0,1,0|1,0,1]=4 58 B19R3.97 Oc1ccccc1-c2cccc3ccccc23 Amb34028967 [0,1,0,0,1,0|2,0,0]=4 59 B19R3.294 Brc1cc(-c2ccccc2)c3ccccc3c1 Amb33622191 [0,1,0,0,1,0|2,0,0]=4 60 B19R3.421 Brc1ccc(-c2cccc3ccccc23)cc1 Amb8631658 [0,1,0,0,1,0|2,0,0]=4 61 B19R3.421 Nc1ccc(-c2cccc3ccccc23)cc1 Amb2689842 [0,1,0,0,1,0|2,0,0]=4 62 B19R3.421 Nc1ccc(-c2cccc3ccccc23)cc1 Amb28991410 [0,1,0,0,1,0|2,0,0]=4 63 B19R3.9008 Brc1ccc(-c2ccccc2)c3ccccc13 Amb21856164 [0,1,0,0,1,0|2,0,0]=4 64 B19R3.9008 Cc1ncc(-c2ccccc2)c3ccccc13 Amb1036533 [0,1,0,0,1,0|1,0,0]=3 65 B19R3.9008 Clc1nnc(-c2ccccc2)c3ccccc13 Amb1153056 [0,1,0,0,1,0|2,0,0]=4 66 B19R3.9008 Nc1nnc(-c2ccccc2)c3ccccc13 Amb4115225 [0,1,0,0,1,0|2,0,0]=4 67 B19R3.9760 Brc1cccc(-c2cccc3ccccc23)c1 Amb32409466 [0,1,0,0,1,0|2,0,0]=4 68 B19R3.9760 Nc1cccc(-c2cccc3ccccc23)c1 Amb2689840 [0,1,0,0,1,0|2,0,0]=4 69 B19R3.9760 S=C1N=C(c2cccc3ccccc23)C=CN1 Amb18384590 [0,1,0,0,1,0|2,0,0]=4 70 B21R3.863 Clc1ccc(\C=N\c2cccc3ccccc23)cc1 Amb3709118 [0,1,0,0,0,1|2,0,0]=4 71 B21R3.863 Fc1ccc(\C=N\c2cccc3ccccc23)cc1 Amb3693312 [0,1,0,0,0,1|2,0,0]=4 72 B21R3.863 Oc1ccc(\C=N\c2cccc3ccccc23)cc1 Amb4136364 [0,1,0,0,0,1|2,0,0]=4 73 B21R3.863 Oc1ccc(\N=C\c2cccc3ccccc23)cc1 Amb6390783 [0,1,0,0,0,1|2,0,0]=4 74 B21R3.22167 Nc1ccc2ccccc2c1\N=N\c3ccccc3 Amb9782444 [0,1,0,0,0,1|2,0,0]=4 75 B21R3.22167 Oc1ccc2ccccc2c1\C=N\c3ccccc3 Amb6385778 [0,1,0,0,0,1|2,0,0]=4 76 B21R3.22167 Oc1ccc2ccccc2c1\N=N\c3ccccc3 Amb2710986 [0,1,0,0,0,1|2,0,0]=4 77 B21R3.24493 O=C(Nc1ccncc1)c2cncc3ccccc23 Amb18464498 [0,1,0,0,0,1|0,0,2]=4 78 B21R3.433959 Nc1ccc(\N=N\c2ccccc2)c3ccccc13 Amb3940692 [0,1,0,0,0,1|2,0,0]=4 79 B21R3.433959 Oc1ccc(\N=N\c2ccccc2)c3ccccc13 Amb24078970 [0,1,0,0,0,1|2,0,0]=4 80 B21R3.433959 [O-]c1ccc(\N=N\c2ccccc2)c3ccccc13 Amb31302356 [0,1,0,0,0,1|2,0,0]=4 81 B19R3.19215 c1ccc(Nc2cnc3ccccc3c2)cc1 Amb18269049 [0,0,1,1,0,0|1,0,1]=4 82 B19R3.19215 c1ccc2ncc(Nc3ccncc3)cc2c1 Amb18269095 [0,0,1,1,0,0|0,0,2]=4 83 B19R3.2293 O\N=C1/C(c2ccccc2)=Nc3ccccc31 Amb21947792 [0,0,1,1,0,0|2,0,0]=4 84 B19R4.2073 c1ccc2c(c1)nc3c4ccccc4nc23 Amb22372270 [0,0,0,1,1,0|1,0,0]=3 85 B19R4.2108 c1ccc-2c(c1)-c3cccc4cccc2c34 Amb17699190 [0,0,0,1,1,0|2,0,0]=4 86 B21R4.6550146 Nc1nc2c3ccccc3oc2c4ccccc14 Amb133129 [0,1,0,1,0,0|2,0,0]=4 87 B17R2.2382 C(=N\N=C\c1ccccc1)/c2ccccc2 Amb1419561 [0,0,1,0,1,0|2,0,0]=4 88 B17R2.2382 C(\C=C\c1ccccc1)=C/c2ccccc2 Amb2458220 [0,0,1,0,1,0|2,0,0]=4 89 B17R3.8 C1=C(c2ccccc2)c3ccccc3C1 Amb17778883 [0,0,0,0,2,0|1,0,1]=4 90 B17R3.8 C1=CC(c2ccccc2)c3ccccc31 Amb20240702 [0,0,0,0,2,0|1,0,1]=4 91 B17R3.8 c1ccc(-c2cnc3ccccn23)cc1 Amb18602747 [0,0,0,0,2,0|2,0,0]=4 92 B17R3.8 c1ccc(-c2coc3ccccc23)cc1 Amb10067083 [0,0,0,0,2,0|2,0,0]=4 93 B17R3.8 c1ccc(-c2ncc3ccccn23)cc1 Amb1156056 [0,0,0,0,2,0|2,0,0]=4 94 B17R3.8 c1ccc(-n2ccc3ccccc32)cc1 Amb8388379 [0,0,0,0,2,0|2,0,0]=4 95 B17R3.8 c1ccc(-n2cnc3ccccc32)cc1 Amb2700555 [0,0,0,0,2,0|2,0,0]=4 96 B17R3.8 c1ccc(-n2ncc3ccccc32)cc1 Amb4006218 [0,0,0,0,2,0|2,0,0]=4 97 B17R3.8707 c1ccc(-c2cncc3sccc23)cc1 Amb24070611 [0,0,0,0,2,0|2,0,0]=4 98 B19R3.1761440 c1ccc(-c2cccc3ccccc2C3)cc1 Amb21948181 [0,0,0,0,1,1|2,0,0]=4 99 B21R3.3124 C(=N\Nc1nncc2ccccc12)/c3ccccc3 Amb574461 [0,0,0,0,0,2|2,0,0]=4