0 B23R3.10324912 CN(C)CC\C=C\1/c2ccccc2Sc3ccc(Cl)cc31 Amb22264876 [0,0,0,0,0,0|1,0,1]=2 1 B23R3.10324912 CN(C)CC\C=C\1/c2ccccc2Sc3ccc(Cl)cc31 Amb22729274 [0,0,0,0,0,0|1,0,1]=2 2 B23R3.10324912 CN(CCCN1c2ccccc2Sc3c1cc(Cl)cc3)C Amb1869496 [0,0,0,0,0,0|0,0,0]=0 3 B23R3.10324912 CN(CCCN1c2ccccc2Sc3c1cc(O)cc3)C Amb17615773 [0,0,0,0,0,0|1,0,0]=1 4 B22R3.12627800 CNCCCN1c2cc(Cl)ccc2Oc3ccccc13 Amb22442926 [1,0,0,0,0,0|0,1,0]=2 5 B22R3.12627800 CNCCCN1c2cc(Cl)ccc2Sc3ccccc13 Amb22453012 [1,0,0,0,0,0|0,0,0]=1 6 B22R3.12627800 CNCCCN1c2cc(Cl)ccc2Sc3ccccc13 Amb22729220 [1,0,0,0,0,0|0,0,0]=1 7 B22R3.12627800 CNCCCN1c2ccccc2Sc3c1cc(Cl)cc3 Amb17611753 [1,0,0,0,0,0|0,0,0]=1 8 B22R3.16182945 CN(CCCN1c2ccccc2Sc3c1nccc3)C Amb17619630 [1,0,0,0,0,0|1,0,0]=2 9 B24R3.11986227 CN(C)CCCN1c2ccc(O)cc2Sc3ccc(Cl)cc13 Amb22481956 [0,1,0,0,0,0|0,0,0]=1 10 B24R3.11986227 CN(C)CC\C=C/1\c2ccc(O)cc2Sc3ccc(Cl)cc31 Amb24309711 [0,1,0,0,0,0|1,0,1]=3 11 B24R3.13731091 CN(C)CCCN1c2cc(Cl)c(O)cc2Sc3ccccc13 Amb22481957 [0,1,0,0,0,0|0,0,0]=1 12 B24R3.13731091 CN(C)CC\C=C/1\c2cc(Cl)c(O)cc2Sc3ccccc31 Amb24309811 [0,1,0,0,0,0|1,0,1]=3 13 B24R3.15111195 CN(C)CCC(=O)C1c2cc(Cl)ccc2Sc3ccccc31 Amb22483065 [0,1,0,0,0,0|1,0,1]=3 14 B24R3.15111209 CN(C)CCCC1(O)c2ccccc2Sc3ccc(Cl)cc13 Amb22347777 [0,1,0,0,0,0|1,0,0]=2 15 B24R3.25384571 CN(C)CCCN1c2cc(Cl)ccc2S(=O)c3ccccc13 Amb22733282 [0,1,0,0,0,0|0,0,1]=2 16 B24R3.25384571 CN(C)CC\C=C\1/c2cc(Cl)ccc2S(=O)c3ccccc31 Amb22054737 [0,1,0,0,0,0|1,0,2]=4 17 B24R3.48064917 COc1ccc2c(c1)N(CCCN(C)C)c3c(S2)cccc3 Amb17616830 [0,1,0,0,0,0|1,0,0]=2 18 B24R3.53940934 CN(C)CC\C=C\1/c2cc(Cl)cc(O)c2Sc3ccccc31 Amb24309722 [0,1,0,0,0,0|1,0,1]=3 19 B24R3.118808131 CN(C)CC\C=C\1/c2cc(Cl)ccc2Sc3ccc(F)cc31 Amb22000142 [0,1,0,0,0,0|1,0,1]=3 20 B24R3.118808131 CN(CCCN1c2cc(O)ccc2Sc3c1cc(Cl)cc3)C Amb16202470 [0,1,0,0,0,0|0,0,0]=1 21 B24R3.2679831 CN(C)CCSC1Cc2ccccc2Sc3ccc(Cl)cc31 Amb22442366 [0,0,0,0,0,1|2,0,0]=3 22 B24R3.2679831 CN(CCOC1=Cc2ccccc2Sc3c1cc(Cl)cc3)C Amb16232128 [0,0,0,0,0,1|2,0,0]=3 23 B24R3.15111194 CN(C)CCCNc1c2cc(F)ccc2[n]c3ccccc31 Amb22449236 [0,0,0,0,0,1|2,1,0]=4 24 B24R3.118819978 CN(C)CC\C=C/1\c2cc(Cl)ccc2COc3ccccc31 Amb22479460 [0,0,0,0,0,1|1,1,1]=4 25 B24R3.118819978 CN(C)CC\C=C/1\c2ccccc2COc3ccc(Cl)cc31 Amb22455663 [0,0,0,0,0,1|1,1,1]=4 26 B24R3.118819978 CN(C)CC\C=C\1/c2cc(F)ccc2CSc3ccccc31 Amb22000151 [0,0,0,0,0,1|1,1,1]=4 27 B21R2.205989 CN(C)CCCC(c1ccccc1O)c2ccccc2 Amb24089873 [1,0,1,0,0,0|1,1,0]=4 28 B21R3.8069667 CNCCCN1c2ccccc2Oc3ccccc13 Amb22481415 [2,0,0,0,0,0|0,1,0]=3 29 B21R3.8069667 CNCCCN1c2ccccc2Sc3ccccc13 Amb22464042 [2,0,0,0,0,0|0,0,0]=2 30 B23R3.17309 CN(C)CCCN1c2ccc(O)cc2Sc3ccccc13 Amb22481960 [1,1,0,0,0,0|0,0,0]=2 31 B23R3.17309 CN(CCCN1c2ccccc2Sc3c1ccc(c3)Cl)C Amb16208844 [1,1,0,0,0,0|0,0,0]=2 32 B23R3.17309 CN(CCCN1c2ccccc2Sc3c1ccc(c3)Cl)C Amb2137061 [1,1,0,0,0,0|0,0,0]=2 33 B23R3.41925352 CN(CCC(=O)N1c2ccccc2Sc3c1cccc3)C Amb10811793 [1,1,0,0,0,0|0,0,1]=3 34 B23R3.71886310 CN(CC(CN1c2ccccc2Sc3c1cccc3)C)C Amb10843719 [1,1,0,0,0,0|0,0,0]=2 35 B23R3.94902302 CN(CCCN1c2ccccc2S(=O)c3c1nccc3)C Amb17619631 [1,1,0,0,0,0|1,0,1]=4 36 B23R3.434039265 CN(C)(=O)CCCN1c2ccccc2Sc3ccccc13 Amb22473104 [1,1,0,0,0,0|0,0,1]=3 37 B25R3.84471985 CN(C)CCCN1c2ccccc2CCc3ccc(cc13)C#N Amb22734960 [0,1,0,0,0,1|2,0,0]=4 38 B25R3.124291931 Clc1ccc2c(c1)N(CCC[N+](C)(C)[O-])c3ccccc3CC2 Amb17611257 [0,1,0,0,0,1|1,0,1]=4 39 B25R3.14411519 CN(C)CC\C=C\1/c2ccc(F)cc2Sc3cc(F)c(Cl)cc31 Amb22000145 [0,2,0,0,0,0|1,0,1]=4 40 B25R3.2302892839 CN(C)CC\C=C\1/c2cc(Cl)ccc2Sc3cc(F)c(F)cc31 Amb22000144 [0,2,0,0,0,0|1,0,1]=4 41 B25R3.152592877 [2H]C([2H])(CCN1c2cc(Cl)ccc2Sc3ccccc13)N(C)C Amb22359073 [0,2,0,0,0,0|0,0,0]=2 42 B25R3.54736069 CCc1ccc2c(c1)N(CC(CN(C)C)C)c3c(S2)cccc3 Amb17614233 [0,2,0,0,0,0|1,0,0]=3 43 B25R3.54736069 COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1 Amb17768207 [0,2,0,0,0,0|1,0,0]=3 44 B25R3.54736069 COc1ccc2c(c1)N(CC(CN(C)C)C)c3c(S2)cccc3 Amb17616905 [0,2,0,0,0,0|1,0,0]=3 45 B25R3.54736069 COc1ccc2c(c1)N(CC(CN(C)C)C)c3c(S2)cccc3 Amb17616908 [0,2,0,0,0,0|1,0,0]=3 46 B25R3.54736069 N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c3c(S2)cccc3 Amb17611356 [0,2,0,0,0,0|1,0,0]=3 47 B25R3.123138798 CCN(CCCN1c2ccccc2Sc3c1cc(Cl)cc3)CC Amb17611136 [0,2,0,0,0,0|0,0,0]=2 48 B25R3.123138798 CCN(CCCN1c2ccccc2Sc3ccc(Cl)cc13)CC Amb22583908 [0,2,0,0,0,0|0,0,0]=2 49 B25R3.84460772 CN(C)CCCN1c2cc(ccc2Sc3ccc(Cl)cc13)OC Amb22481959 [0,2,0,0,0,0|0,0,0]=2 50 B25R3.319289155 CN(C)CCCN1c2cc(ccc2Sc3ccccc13)C(C)=O Amb22734078 [0,2,0,0,0,0|1,0,0]=3 51 B25R3.319289155 CN(C)CCCN1c2cc(ccc2Sc3ccccc13)C(C)O Amb22055436 [0,2,0,0,0,0|1,0,0]=3 52 B21R3.7877738 CC(C)CCN1c2ccccc2Sc3ccccc13 Amb17778285 [1,0,0,0,1,0|1,0,0]=3 53 B21R3.7877738 CN(C)CCN1c2ccccc2Oc3ccccc13 Amb22463976 [1,0,0,0,1,0|0,1,0]=3 54 B21R3.7877738 CN(C)CCN1c2ccccc2Sc3ccccc13 Amb19960009 [1,0,0,0,1,0|0,0,0]=2 55 B21R3.9913503 CN(C)CCNC1c2ccccc2-c3ccccc31 Amb22359914 [1,0,0,0,1,0|2,0,0]=4 56 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560291 [1,0,0,0,1,0|0,0,0]=2 57 B21R3.9913503 CN(CCCn1c2ccccc2c3c1cccc3)C Amb10560292 [1,0,0,0,1,0|0,0,0]=2 58 B23R3.38836458 CNCCCN1c2ccccc2CCc3c1cc(Cl)cc3 Amb17612162 [1,0,0,0,0,1|1,0,0]=3 59 B23R3.19159989 CC(=O)NCCCN1c2ccccc2Sc3c1cccc3 Amb10730560 [1,0,0,0,0,1|2,0,0]=4 60 B23R3.19159989 CC(C)=NOCCN1c2ccccc2Sc3ccccc13 Amb22364457 [1,0,0,0,0,1|2,0,0]=4 61 B23R3.19281841 CN(CCCC1Oc2ccccc2Sc3c1cccc3)C Amb16200383 [1,0,0,0,0,1|1,0,0]=3 62 B23R3.26139327 CN(C)CCCC1c2ccccc2COc3ccccc31 Amb22442707 [1,0,0,0,0,1|1,1,0]=4 63 B23R3.26139327 CN(C)CCCC1c2ccccc2CSc3ccccc31 Amb24309707 [1,0,0,0,0,1|1,0,0]=3 64 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22729272 [1,0,0,0,0,1|1,0,1]=4 65 B23R3.26139327 CN(C)CC\C=C\1/c2ccccc2CSc3ccccc31 Amb22733111 [1,0,0,0,0,1|1,0,1]=4 66 B23R3.26139327 CN(CCCN1c2ccccc2CCc3c1cccc3)C Amb2444037 [1,0,0,0,0,1|1,0,0]=3