0 B15R2.15371 Cc1cccc(Br)c1NC2=NCCC2 Amb35725746 [0,0,0,0,0,0|3,1,0]=4 1 B15R2.15371 Cc1cccc(Br)c1NC2=NCCN2 Amb35725748 [0,0,0,0,0,0|2,1,0]=3 2 B15R2.15371 Cc1cccc(Br)c1NC2=NCCS2 Amb35717785 [0,0,0,0,0,0|3,1,0]=4 3 B15R2.15371 Cc1cccc(C)c1CC2CCCN2 Amb27468312 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.15371 Cc1cccc(C)c1NC2=NCCC2 Amb25765497 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.15371 Cc1cccc(C)c1NC2=NCCN2 Amb27230447 [0,0,0,0,0,0|3,0,0]=3 6 B15R2.15371 Cc1cccc(C)c1NC2=NCCS2 Amb2762649 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.15371 Cc1cccc(C)c1OC2=NCCN2 Amb27799765 [0,0,0,0,0,0|3,0,0]=3 8 B15R2.15371 Cc1cccc(Cl)c1CC2CCCN2 Amb27234780 [0,0,0,0,0,0|2,0,1]=3 9 B15R2.15371 Cc1cccc(Cl)c1NC2=NCCC2 Amb27791455 [0,0,0,0,0,0|3,0,0]=3 10 B15R2.15371 Cc1cccc(Cl)c1NC2=NCCS2 Amb27953445 [0,0,0,0,0,0|3,0,0]=3 11 B15R2.15371 Cc1cccc(F)c1CC2CCCN2 Amb25233274 [0,0,0,0,0,0|2,1,1]=4 12 B15R2.15371 Cc1cccc(N)c1NC2=NCCN2 Amb32670292 [0,0,0,0,0,0|3,0,0]=3 13 B15R2.15371 Clc1cccc(Br)c1CC2=CCCC2 Amb27627192 [0,0,0,0,0,0|2,1,0]=3 14 B15R2.15371 Clc1cccc(Br)c1CC2CCCN2 Amb33335901 [0,0,0,0,0,0|1,1,1]=3 15 B15R2.15371 Clc1cccc(Cl)c1CC2CCCN2 Amb3789948 [0,0,0,0,0,0|1,0,1]=2 16 B15R2.15371 Clc1cccc(Cl)c1CC2CCNC2 Amb25974191 [0,0,0,0,0,0|3,0,1]=4 17 B15R2.15371 Clc1cccc(Cl)c1CC2OCCO2 Amb6306169 [0,0,0,0,0,0|2,0,1]=3 18 B15R2.15371 Clc1cccc(Cl)c1Cn2cccn2 Amb28428106 [0,0,0,0,0,0|2,0,2]=4 19 B15R2.15371 Clc1cccc(Cl)c1Cn2ccnn2 Amb30017445 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.15371 Clc1cccc(Cl)c1Cn2cncn2 Amb27757890 [0,0,0,0,0,0|3,0,1]=4 21 B15R2.15371 Clc1cccc(Cl)c1N=C2NCCN2 Amb3499354 [0,0,0,0,0,0|1,0,1]=2 22 B15R2.15371 Clc1cccc(Cl)c1N=C2NCCN2 Amb8383553 [0,0,0,0,0,0|1,0,1]=2 23 B15R2.15371 Clc1cccc(Cl)c1NC2=NCCN2 Amb19959948 [0,0,0,0,0,0|1,0,0]=1 24 B15R2.15371 Clc1cccc(Cl)c1NC2=NCCN2 Amb2719945 [0,0,0,0,0,0|1,0,0]=1 25 B15R2.15371 Clc1cccc(Cl)c1NC2CCCC2 Amb27830100 [0,0,0,0,0,0|3,0,1]=4 26 B15R2.15371 Clc1cccc(Cl)c1\C=C2\CCNC2 Amb27459465 [0,0,0,0,0,0|3,0,1]=4 27 B15R2.15371 Clc1cccc(Cl)c1\N=C2/NCCO2 Amb24382649 [0,0,0,0,0,0|2,0,0]=2 28 B15R2.15371 Clc1cccc(Cl)c1\N=C2\CCCN2 Amb22077849 [0,0,0,0,0,0|2,0,0]=2 29 B15R2.15371 Clc1cccc(I)c1CC2=NCCN2 Amb27164098 [0,0,0,0,0,0|0,1,0]=1 30 B15R2.15371 Clc1cncc(Cl)c1CC2CCCN2 Amb33260904 [0,0,0,0,0,0|2,0,1]=3 31 B15R2.15371 Clc1ncnc(Cl)c1CC2CCCN2 Amb33262320 [0,0,0,0,0,0|3,0,1]=4 32 B15R2.15371 Fc1cccc(Br)c1CC2CCCN2 Amb28434429 [0,0,0,0,0,0|1,2,1]=4 33 B15R2.15371 Fc1cccc(Br)c1NC2=NCCN2 Amb17619983 [0,0,0,0,0,0|1,2,0]=3 34 B15R2.15371 Fc1cccc(Br)c1NC2=NCCN2 Amb24325460 [0,0,0,0,0,0|1,2,0]=3 35 B15R2.15371 Fc1cccc(Br)c1NC2=NCCS2 Amb27883548 [0,0,0,0,0,0|2,2,0]=4 36 B15R2.15371 Fc1cccc(Cl)c1CC2=NCCN2 Amb18569509 [0,0,0,0,0,0|0,1,0]=1 37 B15R2.15371 Fc1cccc(Cl)c1CC2C=CCN2 Amb28256253 [0,0,0,0,0,0|1,1,2]=4 38 B15R2.15371 Fc1cccc(Cl)c1CC2CCCN2 Amb9184619 [0,0,0,0,0,0|1,1,1]=3 39 B15R2.15371 Fc1cccc(Cl)c1CC2CCCN2 Amb9205735 [0,0,0,0,0,0|1,1,1]=3 40 B15R2.15371 Fc1cccc(Cl)c1CC2OCCO2 Amb6306165 [0,0,0,0,0,0|2,1,1]=4 41 B15R2.15371 Fc1cccc(Cl)c1NC2=NCCS2 Amb27592289 [0,0,0,0,0,0|2,1,0]=3 42 B15R2.15371 Fc1cccc(F)c1CC2=CCCC2 Amb27248748 [0,0,0,0,0,0|2,2,0]=4 43 B15R2.15371 Fc1cccc(F)c1CC2CCCN2 Amb24371452 [0,0,0,0,0,0|1,2,1]=4 44 B15R2.15371 Fc1cccc(F)c1CN2CCCN2 Amb27775239 [0,0,0,0,0,0|2,2,0]=4 45 B15R2.15371 Fc1cccc(F)c1\N=C2\NCCO2 Amb28364935 [0,0,0,0,0,0|2,2,0]=4 46 B15R2.15371 Nc1cccc(Cl)c1CN2CCCC2 Amb27793750 [0,0,0,0,0,0|4,0,0]=4 47 B15R2.15371 Nc1cccc(Cl)c1NC2=NCCN2 Amb32670317 [0,0,0,0,0,0|2,0,0]=2 48 B15R2.15371 Nc1cccc(F)c1NC2=NCCN2 Amb32670318 [0,0,0,0,0,0|2,1,0]=3 49 B15R2.15371 Oc1cccc(Br)c1CC2CCCN2 Amb33331542 [0,0,0,0,0,0|2,1,1]=4 50 B15R2.15371 Oc1cccc(Cl)c1CC2CCCN2 Amb33260757 [0,0,0,0,0,0|2,0,1]=3 51 B14R2.50 Brc1ccccc1CC2CCCN2 Amb18156960 [1,0,0,0,0,0|1,1,1]=4 52 B14R2.50 Brc1ccccc1CC2CCCN2 Amb32663787 [1,0,0,0,0,0|1,1,1]=4 53 B14R2.50 Brc1ccccc1NC2=NCCN2 Amb27985485 [1,0,0,0,0,0|1,1,0]=3 54 B14R2.50 Brc1ccccc1\N=C2/CCCN2 Amb19200230 [1,0,0,0,0,0|2,1,0]=4 55 B14R2.50 Cc1ccccc1CC2=NCCN2 Amb18065544 [1,0,0,0,0,0|1,0,0]=2 56 B14R2.50 Cc1ccccc1CC2CCCN2 Amb9713268 [1,0,0,0,0,0|2,0,1]=4 57 B14R2.50 Cc1ccccc1CN2CCCN2 Amb27787264 [1,0,0,0,0,0|3,0,0]=4 58 B14R2.50 Cc1ccccc1C[C@@H]2CCCN2 Amb33191267 [1,0,0,0,0,0|2,0,1]=4 59 B14R2.50 Cc1ccccc1C[C@H]2CCCN2 Amb33191258 [1,0,0,0,0,0|2,0,1]=4 60 B14R2.50 Cc1ccccc1NC2=NCCS2 Amb1103908 [1,0,0,0,0,0|3,0,0]=4 61 B14R2.50 Cc1cccnc1NC2=NCCN2 Amb27187478 [1,0,0,0,0,0|3,0,0]=4 62 B14R2.50 Clc1ccccc1CC2=NCCN2 Amb18066352 [1,0,0,0,0,0|0,0,0]=1 63 B14R2.50 Clc1ccccc1CC2C=CCN2 Amb27882234 [1,0,0,0,0,0|1,0,2]=4 64 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2235504 [1,0,0,0,0,0|1,0,1]=3 65 B14R2.50 Clc1ccccc1CC2CCCN2 Amb9714261 [1,0,0,0,0,0|1,0,1]=3 66 B14R2.50 Clc1ccccc1CC2OCCO2 Amb3938930 [1,0,0,0,0,0|2,0,1]=4 67 B14R2.50 Clc1ccccc1CN2CCCC2 Amb1801666 [1,0,0,0,0,0|3,0,0]=4 68 B14R2.50 Clc1ccccc1CN2CCCN2 Amb27874427 [1,0,0,0,0,0|2,0,0]=3 69 B14R2.50 Clc1ccccc1CN2CCCO2 Amb27255169 [1,0,0,0,0,0|3,0,0]=4 70 B14R2.50 Clc1ccccc1NC2=NCCC2 Amb3319443 [1,0,0,0,0,0|2,0,0]=3 71 B14R2.50 Clc1ccccc1NC2=NCCS2 Amb2257757 [1,0,0,0,0,0|2,0,0]=3 72 B14R2.50 Clc1cnccc1CC2CCCN2 Amb26905381 [1,0,0,0,0,0|2,0,1]=4 73 B14R2.50 Clc1ncccc1CC2CCCN2 Amb33256938 [1,0,0,0,0,0|2,0,1]=4 74 B14R2.50 Fc1ccccc1CC2=CCCC2 Amb27464822 [1,0,0,0,0,0|2,1,0]=4 75 B14R2.50 Fc1ccccc1CC2=NCCN2 Amb18065750 [1,0,0,0,0,0|0,1,0]=2 76 B14R2.50 Fc1ccccc1CC2CCCN2 Amb9711526 [1,0,0,0,0,0|1,1,1]=4 77 B14R2.50 Fc1ccccc1CN2CCCN2 Amb27969471 [1,0,0,0,0,0|2,1,0]=4 78 B14R2.50 Fc1ccccc1NC2=NCCN2 Amb27758432 [1,0,0,0,0,0|1,1,0]=3 79 B14R2.50 Fc1ccccc1NC2=NCCS2 Amb7755217 [1,0,0,0,0,0|2,1,0]=4 80 B14R2.50 Nc1ccccc1CC2CCCN2 Amb18064662 [1,0,0,0,0,0|2,0,1]=4 81 B14R2.50 Nc1ccccc1NC2=NCCN2 Amb25040556 [1,0,0,0,0,0|2,0,0]=3 82 B14R2.50 Oc1ccccc1CC2CCCN2 Amb18062875 [1,0,0,0,0,0|2,0,1]=4 83 B14R2.50 [O-][n+]1ccccc1SC2=NCCN2 Amb26034910 [1,0,0,0,0,0|3,0,0]=4 84 B16R2.6175 Cc1cc(C)c(CC2=NCCN2)c(C)c1 Amb18566595 [0,1,0,0,0,0|2,0,0]=3 85 B16R2.6175 Cc1cc(N)c(NC2=NCCN2)c(Br)c1 Amb32670316 [0,1,0,0,0,0|2,1,0]=4 86 B16R2.6175 Cc1cc(N)c(NC2=NCCN2)c(Cl)c1 Amb32670325 [0,1,0,0,0,0|2,0,0]=3 87 B16R2.6175 Nc1cc(Br)cc(Br)c1NC2=NCCN2 Amb32670304 [0,1,0,0,0,0|2,1,0]=4 88 B16R2.6175 Nc1cc(Br)cc(F)c1NC2=NCCN2 Amb32670312 [0,1,0,0,0,0|2,1,0]=4 89 B16R2.6175 Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1 Amb8385408 [0,1,0,0,0,0|1,0,1]=3 90 B16R2.6175 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 Amb20622176 [0,1,0,0,0,0|1,0,0]=2 91 B16R2.6175 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 Amb8628562 [0,1,0,0,0,0|1,0,0]=2 92 B16R2.6175 Nc1cc(Cl)cc(Cl)c1NC2=NCCN2 Amb32670303 [0,1,0,0,0,0|2,0,0]=3 93 B16R2.6175 Nc1cc(F)cc(Br)c1NC2=NCCN2 Amb32670321 [0,1,0,0,0,0|2,1,0]=4 94 B16R2.6175 Nc1cc(F)cc(F)c1NC2=NCCN2 Amb32670311 [0,1,0,0,0,0|2,1,0]=4 95 B16R2.11484 Clc1cccc(Cl)c1CN2CCC(Cl)C2 Amb27592265 [0,1,0,0,0,0|3,0,0]=4 96 B16R2.11484 Clc1nc(Cc2c(Cl)cccc2Cl)ns1 Amb20673213 [0,1,0,0,0,0|1,0,2]=4 97 B16R2.11484 Fc1cccc(Cl)c1CC2=CC(Cl)CC2 Amb27239267 [0,1,0,0,0,0|2,1,0]=4 98 B16R2.11484 Nc1nnc(Cc2c(Cl)cccc2Cl)s1 Amb2235517 [0,1,0,0,0,0|2,0,1]=4 99 B16R2.11484 O=C1CSC(Cc2c(Cl)cccc2Cl)=N1 Amb27219413 [0,1,0,0,0,0|1,0,1]=3 100 B16R2.11484 OC1CCN(Cc2c(Cl)cccc2Cl)C1 Amb10815219 [0,1,0,0,0,0|3,0,0]=4 101 B16R2.14153 O=C1CCCC1Cc2c(Cl)cccc2Cl Amb27404859 [0,1,0,0,0,0|2,0,1]=4 102 B16R2.25684 O=C(C1=CCCC1)c2c(Cl)cccc2Cl Amb28381611 [0,1,0,0,0,0|2,0,1]=4 103 B16R2.26187 Fc1ccc(F)c(CC2CCCN2)c1Cl Amb33223932 [0,1,0,0,0,0|1,1,1]=4 104 B16R2.26187 Nc1ccc(F)c(F)c1NC2=NCCN2 Amb32670315 [0,1,0,0,0,0|2,1,0]=4 105 B14R1.16281 CN\C(=N\N)Nc1c(C)cccc1Cl Amb27601965 [0,0,1,0,0,0|3,0,0]=4 106 B14R1.16281 CN\C(=N\N)Nc1c(Cl)cccc1Cl Amb27272647 [0,0,1,0,0,0|2,0,0]=3 107 B14R1.16281 CN\C(Cc1c(F)cccc1F)=N\N Amb28140382 [0,0,1,0,0,0|1,2,0]=4 108 B14R1.16281 C\N=C(\NC)Nc1c(C)cccc1Br Amb35720997 [0,0,1,0,0,0|2,1,0]=4 109 B14R1.16281 C\N=C(\NC)Nc1c(C)cccc1F Amb27860492 [0,0,1,0,0,0|2,1,0]=4 110 B14R1.16281 C\N=C(\NC)Nc1c(F)cccc1F Amb27623187 [0,0,1,0,0,0|1,2,0]=4 111 B14R1.19171 CCCC(=N)Nc1c(F)cccc1Cl Amb27784793 [0,0,1,0,0,0|2,1,0]=4 112 B14R1.19171 CCCC(=O)Nc1c(Cl)cccc1Cl Amb5797531 [0,0,1,0,0,0|3,0,0]=4 113 B14R1.19171 CCNC(=N)Nc1c(C)cccc1Br Amb35721163 [0,0,1,0,0,0|2,1,0]=4 114 B14R1.19171 CCNC(=N)Nc1c(Cl)cccc1Cl Amb28184043 [0,0,1,0,0,0|1,0,0]=2 115 B14R1.19171 CCNC(=N)Nc1c(F)cccc1Br Amb27453072 [0,0,1,0,0,0|1,2,0]=4 116 B14R1.19171 CCNC(=O)Cc1c(F)cccc1Cl Amb6418773 [0,0,1,0,0,0|1,1,0]=3 117 B14R1.19171 CCNC(=O)Nc1c(F)cccc1Cl Amb27458549 [0,0,1,0,0,0|2,1,0]=4 118 B14R1.19171 CCNC(=O)Oc1c(N)cccc1Cl Amb27476612 [0,0,1,0,0,0|3,0,0]=4 119 B14R1.19171 CCOC(=N)Cc1c(Cl)cccc1Cl Amb20673162 [0,0,1,0,0,0|1,0,0]=2 120 B14R1.19171 CCOC(=O)Cc1c(F)cccc1Cl Amb6336605 [0,0,1,0,0,0|2,1,0]=4 121 B14R1.19171 CCOC(=O)Nc1c(Cl)cccc1Cl Amb6514646 [0,0,1,0,0,0|3,0,0]=4 122 B14R1.19171 CONC(=O)Cc1c(Cl)cccc1Cl Amb8272383 [0,0,1,0,0,0|2,0,0]=3 123 B14R1.19171 C\C=C\C(=O)Cc1c(Cl)cccc1Cl Amb27189925 [0,0,1,0,0,0|2,0,1]=4 124 B14R1.19171 N#CNC(=O)Cc1c(Cl)cccc1Cl Amb27252665 [0,0,1,0,0,0|2,0,1]=4 125 B14R1.20339 CCCCNCc1c(Cl)cccc1Cl Amb19890350 [0,0,1,0,0,0|3,0,0]=4 126 B14R1.20339 CCCCNCc1c(Cl)cccc1Cl Amb6635521 [0,0,1,0,0,0|3,0,0]=4 127 B14R1.20339 NCCCSCc1c(Cl)cccc1Cl Amb17500679 [0,0,1,0,0,0|2,0,0]=3 128 B14R1.20339 NCCCSCc1c(F)cccc1Cl Amb17500684 [0,0,1,0,0,0|2,1,0]=4 129 B14R1.20339 OCCCNCc1c(Cl)cccc1Cl Amb837899 [0,0,1,0,0,0|3,0,0]=4 130 B14R2.5333 Clc1cccc(Cl)c1CC2CNC2 Amb1123392 [0,0,0,0,1,0|2,0,1]=4 131 B14R2.5333 Clc1cccc(Cl)c1NC2CCC2 Amb28189733 [0,0,0,0,1,0|2,0,1]=4 132 B14R2.5333 Oc1cccc(Cl)c1CN2CCC2 Amb28249447 [0,0,0,0,1,0|3,0,0]=4 133 B14R2.9066 Cc1cccc(C)c1C2=NCCN2 Amb24447542 [0,0,0,0,1,0|2,0,0]=3 134 B14R2.9066 Cc1cccc(Cl)c1C2CCCN2 Amb24562239 [0,0,0,0,1,0|2,0,1]=4 135 B14R2.9066 Cc1cccc(Cl)c1[C@@H]2CCCN2 Amb27626022 [0,0,0,0,1,0|2,0,1]=4 136 B14R2.9066 Cc1cccc(N)c1C2=NCCN2 Amb27881250 [0,0,0,0,1,0|2,0,0]=3 137 B14R2.9066 Clc1cccc(Br)c1C2CCCN2 Amb25260901 [0,0,0,0,1,0|1,1,1]=4 138 B14R2.9066 Clc1cccc(Br)c1[C@@H]2CCCN2 Amb27393691 [0,0,0,0,1,0|1,1,1]=4 139 B14R2.9066 Clc1cccc(Cl)c1-c2nccs2 Amb24420458 [0,0,0,0,1,0|1,0,2]=4 140 B14R2.9066 Clc1cccc(Cl)c1C2CCCN2 Amb33804036 [0,0,0,0,1,0|1,0,1]=3 141 B14R2.9066 Clc1cccc(Cl)c1C2CCCN2 Amb9713821 [0,0,0,0,1,0|1,0,1]=3 142 B14R2.9066 Clc1cccc(Cl)c1C2OCCO2 Amb22482898 [0,0,0,0,1,0|2,0,1]=4 143 B14R2.9066 Clc1cccc(Cl)c1N2CCCC2 Amb28250722 [0,0,0,0,1,0|3,0,0]=4 144 B14R2.9066 Clc1cccc(Cl)c1[C@@H]2CCCN2 Amb27181204 [0,0,0,0,1,0|1,0,1]=3 145 B14R2.9066 Clc1cccc(I)c1[C@@H]2CCCN2 Amb27807437 [0,0,0,0,1,0|1,1,1]=4 146 B14R2.9066 Clc1cncc(Cl)c1C2CCCN2 Amb27876667 [0,0,0,0,1,0|2,0,1]=4 147 B14R2.9066 Clc1cncc(Cl)c1[C@H]2CCCN2 Amb27393649 [0,0,0,0,1,0|2,0,1]=4 148 B14R2.9066 Fc1cccc(Cl)c1C2=NCCN2 Amb18066483 [0,0,0,0,1,0|0,1,0]=2 149 B14R2.9066 Fc1cccc(Cl)c1C2CCCN2 Amb33527639 [0,0,0,0,1,0|1,1,1]=4 150 B14R2.9066 Fc1cccc(Cl)c1C2CCCN2 Amb6244799 [0,0,0,0,1,0|1,1,1]=4 151 B14R2.9066 Fc1cccc(Cl)c1C2NCCO2 Amb17337705 [0,0,0,0,1,0|1,1,1]=4 152 B14R2.9066 Fc1cccc(Cl)c1[C@@H]2CCCN2 Amb27408360 [0,0,0,0,1,0|1,1,1]=4 153 B14R2.9066 Oc1cccc(Cl)c1C2CCCN2 Amb33260775 [0,0,0,0,1,0|2,0,1]=4 154 B16R2.3259 Cc1cccc(Cl)c1CC2CCCNC2 Amb33259451 [0,0,0,0,0,1|2,0,1]=4 155 B16R2.3259 Clc1cccc(Br)c1CC2CCCNC2 Amb33336217 [0,0,0,0,0,1|1,1,1]=4 156 B16R2.3259 Clc1cccc(Cl)c1CC2CCCNC2 Amb33261968 [0,0,0,0,0,1|1,0,1]=3 157 B16R2.3259 Clc1cccc(Cl)c1CC2CCNCC2 Amb17194214 [0,0,0,0,0,1|2,0,1]=4 158 B16R2.3259 Clc1cccc(Cl)c1CN2CCNCC2 Amb1847405 [0,0,0,0,0,1|3,0,0]=4 159 B16R2.3259 Clc1cccc(Cl)c1CN2CCNCC2 Amb6843935 [0,0,0,0,0,1|3,0,0]=4 160 B16R2.3259 Clc1cccc(Cl)c1OC2CCCNC2 Amb33256469 [0,0,0,0,0,1|2,0,1]=4 161 B16R2.3259 Clc1cncc(Cl)c1CC2CCCNC2 Amb33260954 [0,0,0,0,0,1|2,0,1]=4 162 B16R2.3259 Fc1cccc(Cl)c1CC2CCCCN2 Amb17247999 [0,0,0,0,0,1|1,1,1]=4 163 B16R2.3259 Fc1cccc(Cl)c1CC2CCCNC2 Amb17472145 [0,0,0,0,0,1|1,1,1]=4 164 B16R2.3259 Fc1cccc(Cl)c1CC2COCCN2 Amb18572326 [0,0,0,0,0,1|1,1,1]=4 165 B16R2.3259 Fc1cccc(Cl)c1CC2CSCCN2 Amb18579689 [0,0,0,0,0,1|1,1,1]=4 166 B16R2.3259 Oc1cccc(Cl)c1CC2CCCNC2 Amb33260772 [0,0,0,0,0,1|2,0,1]=4 167 B16R2.25778 Cc1cccc(C)c1OCC2=NCCN2 Amb17075375 [0,0,0,0,0,1|2,0,0]=3 168 B16R2.25778 Clc1cccc(Cl)c1CNC2CCCC2 Amb6686269 [0,0,0,0,0,1|2,0,1]=4 169 B16R2.25778 Clc1cccc(Cl)c1OCC2=NCCN2 Amb17075406 [0,0,0,0,0,1|0,0,0]=1 170 B16R2.25778 Clc1cccc(Cl)c1OCC2OCCO2 Amb17260554 [0,0,0,0,0,1|2,0,1]=4 171 B16R2.25778 Clc1cccc(Cl)c1OC[C@@H]2CCCN2 Amb17051867 [0,0,0,0,0,1|1,0,1]=3 172 B16R2.25778 Clc1cccc(Cl)c1SCC2CCCN2 Amb22395580 [0,0,0,0,0,1|1,0,1]=3 173 B16R2.25778 Clc1cccc(Cl)c1SCC2CCCN2 Amb35745669 [0,0,0,0,0,1|1,0,1]=3 174 B16R2.25778 Fc1cccc(Cl)c1CCC2=NCCN2 Amb18571499 [0,0,0,0,0,1|0,1,0]=2 175 B16R2.25778 Fc1cccc(Cl)c1CCC2CCCN2 Amb17247998 [0,0,0,0,0,1|1,1,1]=4 176 B16R2.25778 Fc1cccc(Cl)c1CSC2=NCCN2 Amb131809 [0,0,0,0,0,1|0,1,0]=2 177 B16R2.25778 Fc1cccc(Cl)c1CSC2=NCCN2 Amb5825535 [0,0,0,0,0,1|0,1,0]=2 178 B16R2.25778 Nc1cccc(F)c1OCC2=NCCN2 Amb32655207 [0,0,0,0,0,1|1,1,0]=3 179 B13R1.335 CN\C(Cc1ccccc1Br)=N\N Amb29860598 [1,0,1,0,0,0|1,1,0]=4 180 B13R1.335 C\N=C(\NC)Nc1ccccc1Br Amb27860488 [1,0,1,0,0,0|1,1,0]=4 181 B13R1.335 C\N=C(\NC)Nc1ccccc1C Amb27623930 [1,0,1,0,0,0|2,0,0]=4 182 B13R1.335 C\N=C(\NC)Nc1ccccc1I Amb27266157 [1,0,1,0,0,0|1,1,0]=4 183 B13R1.4928 CC(Cc1c(Cl)cccc1Cl)NN Amb28436142 [1,0,1,0,0,0|1,0,1]=4 184 B13R1.4928 CCC(=N)Nc1c(C)cccc1Cl Amb27180620 [1,0,1,0,0,0|2,0,0]=4 185 B13R1.4928 CCC(=N)Nc1c(F)cccc1Cl Amb27800587 [1,0,1,0,0,0|1,1,0]=4 186 B13R1.4928 CCC(=O)Cc1c(Cl)cccc1Cl Amb17477635 [1,0,1,0,0,0|1,0,0]=3 187 B13R1.4928 CCC(=O)Cc1c(F)cccc1Cl Amb18320501 [1,0,1,0,0,0|1,1,0]=4 188 B13R1.4928 CCC(=O)Nc1c(Cl)cccc1Cl Amb5797455 [1,0,1,0,0,0|2,0,0]=4 189 B13R1.4928 CCC(=O)Oc1c(Cl)cccc1Cl Amb27664209 [1,0,1,0,0,0|2,0,0]=4 190 B13R1.4928 CCC(O)Cc1c(Cl)cccc1Cl Amb17477601 [1,0,1,0,0,0|1,0,1]=4 191 B13R1.4928 CNC(=N)Cc1c(F)cccc1Cl Amb27405436 [1,0,1,0,0,0|0,1,0]=3 192 B13R1.4928 CNC(=O)Cc1c(Cl)cccc1Cl Amb8245469 [1,0,1,0,0,0|1,0,0]=3 193 B13R1.4928 CNC(C)Cc1c(F)cccc1Cl Amb5735467 [1,0,1,0,0,0|0,1,1]=4 194 B13R1.4928 COC(=N)Cc1c(F)cccc1Cl Amb28206715 [1,0,1,0,0,0|1,1,0]=4 195 B13R1.4928 COC(=O)Cc1c(Cl)cccc1Cl Amb6365741 [1,0,1,0,0,0|2,0,0]=4 196 B13R1.4928 CON(C)Cc1c(Cl)cccc1Cl Amb28349657 [1,0,1,0,0,0|2,0,0]=4 197 B13R1.4928 C\C(Cc1c(Cl)cccc1Cl)=N\O Amb27445431 [1,0,1,0,0,0|1,0,0]=3 198 B13R1.4928 N=C(Cc1c(Cl)cccc1Cl)NO Amb22494631 [1,0,1,0,0,0|1,0,0]=3 199 B13R1.4928 NC(CO)Cc1c(Cl)cccc1Cl Amb25831607 [1,0,1,0,0,0|1,0,1]=4 200 B13R1.4928 NNC(=O)Cc1c(Cl)cccc1Cl Amb6469010 [1,0,1,0,0,0|2,0,0]=4 201 B13R1.4928 N\C(Cc1c(Cl)cccc1Cl)=N\O Amb2696117 [1,0,1,0,0,0|1,0,0]=3 202 B13R1.4928 N\C(Cc1c(F)cccc1Cl)=N\O Amb2696043 [1,0,1,0,0,0|1,1,0]=4 203 B13R1.4928 N\N=C(\N)Cc1c(F)cccc1Cl Amb27859805 [1,0,1,0,0,0|1,1,0]=4 204 B13R1.4928 O=C(CCl)Cc1c(Cl)cccc1Cl Amb8887715 [1,0,1,0,0,0|2,0,0]=4 205 B13R1.4928 O=C(Cc1c(Cl)cccc1Cl)NO Amb28281402 [1,0,1,0,0,0|2,0,0]=4 206 B13R1.470 CCCC(=O)Cc1ccccc1Cl Amb17139625 [1,0,1,0,0,0|2,0,0]=4 207 B13R1.470 CCNC(=N)Nc1ccccc1C Amb18804674 [1,0,1,0,0,0|2,0,0]=4 208 B13R1.470 CCNC(=O)Cc1ccccc1Br Amb22230625 [1,0,1,0,0,0|1,1,0]=4 209 B13R1.470 CCNC(=O)Cc1ccccc1Cl Amb23014083 [1,0,1,0,0,0|1,0,0]=3 210 B13R1.470 CCNC(=O)Cc1ccccc1F Amb8341226 [1,0,1,0,0,0|1,1,0]=4 211 B13R1.470 CCNC(=O)Cc1ccccc1N Amb1121104 [1,0,1,0,0,0|2,0,0]=4 212 B13R1.470 CCNC(=O)Nc1ccccc1Cl Amb4018016 [1,0,1,0,0,0|2,0,0]=4 213 B13R1.470 CCNC(=S)Nc1ccccc1Cl Amb5287414 [1,0,1,0,0,0|2,0,0]=4 214 B13R1.470 CCOC(=N)Cc1ccccc1C Amb20673147 [1,0,1,0,0,0|2,0,0]=4 215 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb19083262 [1,0,1,0,0,0|1,0,0]=3 216 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb20673156 [1,0,1,0,0,0|1,0,0]=3 217 B13R1.470 CCOC(=N)Cc1ccccc1F Amb20673150 [1,0,1,0,0,0|1,1,0]=4 218 B13R1.470 CCOC(=O)Cc1ccccc1Cl Amb9243016 [1,0,1,0,0,0|2,0,0]=4 219 B13R1.470 CCSC(=N)Nc1ccccc1Cl Amb27754016 [1,0,1,0,0,0|2,0,0]=4 220 B13R1.470 CO\N=C(\C)Cc1ccccc1Cl Amb27220076 [1,0,1,0,0,0|2,0,0]=4 221 B13R1.470 CO\N=C(\N)Cc1ccccc1Cl Amb28344836 [1,0,1,0,0,0|1,0,0]=3 222 B13R1.8919 C#CCNCc1c(Cl)cccc1Cl Amb21979454 [1,0,1,0,0,0|1,0,1]=4 223 B13R1.8919 C#CCNCc1c(Cl)cccc1Cl Amb6683729 [1,0,1,0,0,0|1,0,1]=4 224 B13R1.8919 C=CCNCc1c(Cl)cccc1Cl Amb19890392 [1,0,1,0,0,0|1,0,1]=4 225 B13R1.8919 C=CCNCc1c(Cl)cccc1Cl Amb4304023 [1,0,1,0,0,0|1,0,1]=4 226 B13R1.8919 CCCNCc1c(Cl)cccc1Cl Amb19890393 [1,0,1,0,0,0|1,0,0]=3 227 B13R1.8919 CCCNCc1c(Cl)cccc1Cl Amb838247 [1,0,1,0,0,0|1,0,0]=3 228 B13R1.8919 CCCNCc1c(F)cccc1Cl Amb19890378 [1,0,1,0,0,0|1,1,0]=4 229 B13R1.8919 CCCNCc1c(F)cccc1Cl Amb837960 [1,0,1,0,0,0|1,1,0]=4 230 B13R1.8919 CCCNCc1c(O)cccc1Cl Amb33496448 [1,0,1,0,0,0|2,0,0]=4 231 B13R1.8919 CCNCCc1c(Cl)cccc1Cl Amb17193873 [1,0,1,0,0,0|0,0,1]=3 232 B13R1.8919 CCNCCc1c(F)cccc1Cl Amb8853689 [1,0,1,0,0,0|0,1,1]=4 233 B13R1.8919 Cc1cccc(Cl)c1CCCCN Amb33259763 [1,0,1,0,0,0|1,0,1]=4 234 B13R1.8919 NCCCCc1c(Cl)cccc1Br Amb33331852 [1,0,1,0,0,0|0,1,1]=4 235 B13R1.8919 NCCCCc1c(Cl)cccc1Cl Amb33220782 [1,0,1,0,0,0|0,0,1]=3 236 B13R1.8919 NCCCCc1c(Cl)cncc1Cl Amb33484960 [1,0,1,0,0,0|1,0,1]=4 237 B13R1.8919 NCCCCc1c(F)cccc1Cl Amb5735509 [1,0,1,0,0,0|0,1,1]=4 238 B13R1.8919 NCCCCc1c(O)cccc1Cl Amb33256175 [1,0,1,0,0,0|1,0,1]=4 239 B13R1.8919 NCCCOc1c(Cl)cccc1Cl Amb5731745 [1,0,1,0,0,0|1,0,1]=4 240 B13R1.8919 NCCNCc1c(Cl)cccc1Cl Amb19005505 [1,0,1,0,0,0|0,0,1]=3 241 B13R1.8919 NCCOCc1c(Cl)cccc1Cl Amb17061826 [1,0,1,0,0,0|1,0,0]=3 242 B13R1.8919 NCCOCc1c(F)cccc1Cl Amb17061823 [1,0,1,0,0,0|1,1,0]=4 243 B13R1.8919 NCCSCc1c(Cl)cccc1Cl Amb844777 [1,0,1,0,0,0|1,0,0]=3 244 B13R1.8919 NCCSCc1c(F)cccc1Cl Amb2685996 [1,0,1,0,0,0|1,1,0]=4 245 B13R1.8919 OCCNCc1c(Cl)cccc1Cl Amb838237 [1,0,1,0,0,0|1,0,0]=3 246 B13R1.8919 OCCNCc1c(F)cccc1Cl Amb838126 [1,0,1,0,0,0|1,1,0]=4 247 B13R1.8919 OCCNCc1c(O)cccc1Cl Amb33496534 [1,0,1,0,0,0|2,0,0]=4 248 B13R1.8919 OCCOCc1c(Cl)cccc1Cl Amb31292898 [1,0,1,0,0,0|2,0,0]=4 249 B13R1.8919 OCCSCc1c(Cl)cccc1Cl Amb9273826 [1,0,1,0,0,0|2,0,0]=4 250 B13R1.555 NCCCNCc1ccccc1Cl Amb2389533 [1,0,1,0,0,0|2,0,0]=4 251 B13R1.555 NCCCSCc1ccccc1Cl Amb10608255 [1,0,1,0,0,0|2,0,0]=4 252 B13R1.555 NCCNCCc1ccccc1Cl Amb31094272 [1,0,1,0,0,0|0,0,2]=4 253 B13R1.555 OCCNCCc1ccccc1Cl Amb17402328 [1,0,1,0,0,0|1,0,1]=4 254 B13R2.64 C(=C1/CCCN1)/c2ccccc2 Amb27814288 [2,0,0,0,0,0|1,0,1]=4 255 B13R2.64 C1=C(Cc2ccccc2)NCC1 Amb17938862 [2,0,0,0,0,0|1,0,0]=3 256 B13R2.64 c1ccc(CC2=NCCC2)cc1 Amb24053775 [2,0,0,0,0,0|1,0,0]=3 257 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb6334870 [2,0,0,0,0,0|0,0,0]=2 258 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb749611 [2,0,0,0,0,0|0,0,0]=2 259 B13R2.64 c1ccc(CC2=NCCN2)nc1 Amb27794467 [2,0,0,0,0,0|1,0,0]=3 260 B13R2.64 c1ccc(CC2=NCCO2)cc1 Amb2429421 [2,0,0,0,0,0|1,0,0]=3 261 B13R2.64 c1ccc(CC2=NCCS2)cc1 Amb28369846 [2,0,0,0,0,0|1,0,0]=3 262 B13R2.64 c1ccc(CC2CCCN2)cc1 Amb17659145 [2,0,0,0,0,0|1,0,1]=4 263 B13R2.64 c1ccc(CC2NCCO2)cc1 Amb17506176 [2,0,0,0,0,0|1,0,1]=4 264 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb19883945 [2,0,0,0,0,0|1,0,1]=4 265 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb30586559 [2,0,0,0,0,0|1,0,1]=4 266 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb27160705 [2,0,0,0,0,0|1,0,1]=4 267 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb33877453 [2,0,0,0,0,0|1,0,1]=4 268 B13R2.64 c1ccc(NC2=NCCC2)cc1 Amb1286041 [2,0,0,0,0,0|2,0,0]=4 269 B13R2.64 c1ccc(NC2=NCCN2)nc1 Amb27667879 [2,0,0,0,0,0|2,0,0]=4 270 B13R2.64 c1ccc(NC2=NCCO2)cc1 Amb25929780 [2,0,0,0,0,0|2,0,0]=4 271 B13R2.64 c1ccc(NC2=NCCS2)cc1 Amb6599638 [2,0,0,0,0,0|2,0,0]=4 272 B13R2.64 c1ccc(SC2=NCCN2)cc1 Amb27975177 [2,0,0,0,0,0|1,0,0]=3 273 B13R2.64 c1cncc(CC2=NCCN2)c1 Amb22527135 [2,0,0,0,0,0|1,0,0]=3 274 B15R1.8287 CC(C)NC(=O)Nc1c(Cl)cccc1Cl Amb4018511 [0,1,1,0,0,0|2,0,0]=4 275 B15R1.8287 CC(C)OC(=O)Cc1c(Cl)cccc1Cl Amb22266202 [0,1,1,0,0,0|2,0,0]=4 276 B15R1.37637 CCOC(=O)Cc1c(Cl)cc(N)cc1Cl Amb33745908 [0,1,1,0,0,0|2,0,0]=4 277 B15R1.45718 CCNCC(=O)Nc1c(Cl)cccc1Cl Amb1567151 [0,1,1,0,0,0|2,0,0]=4 278 B15R1.45718 CCNCC(=O)Nc1c(Cl)cccc1Cl Amb2371547 [0,1,1,0,0,0|2,0,0]=4 279 B15R1.45718 NCCNC(=O)Oc1c(Cl)cccc1Cl Amb18582091 [0,1,1,0,0,0|2,0,0]=4 280 B15R1.9189 NCCCOCc1c(Cl)ccc(Cl)c1Cl Amb18111544 [0,1,1,0,0,0|2,0,0]=4 281 B15R1.44685 CNCCCNCc1c(Cl)cccc1Cl Amb22531601 [0,1,1,0,0,0|2,0,0]=4 282 B15R1.44685 OCCNCCOc1c(Cl)cccc1Cl Amb17145405 [0,1,1,0,0,0|1,0,1]=4 283 B15R2.123 CCc1ccccc1NC2=NCCN2 Amb26855801 [1,1,0,0,0,0|2,0,0]=4 284 B15R2.123 COc1ccccc1CC2=NCCN2 Amb18564750 [1,1,0,0,0,0|1,0,0]=3 285 B15R2.123 N#Cc1ccccc1NC2=NCCN2 Amb28365096 [1,1,0,0,0,0|2,0,0]=4 286 B15R2.305 Clc1ccccc1CC2=CC(Cl)CC2 Amb27411149 [1,1,0,0,0,0|2,0,0]=4 287 B15R2.305 O=C1CN=C(Cc2ccccc2Cl)N1 Amb28398907 [1,1,0,0,0,0|0,0,1]=3 288 B15R2.358 CC(C1=NCCN1)c2ccccc2Cl Amb27949597 [1,1,0,0,0,0|0,0,0]=2 289 B15R2.358 CC(C1=NCCN1)c2ccccc2I Amb27222196 [1,1,0,0,0,0|0,1,0]=3 290 B15R2.358 CC(c1ccccc1Cl)C2CCCN2 Amb28133225 [1,1,0,0,0,0|1,0,1]=4 291 B15R2.358 NC(C1=CCCC1)c2ccccc2Cl Amb27410327 [1,1,0,0,0,0|2,0,0]=4 292 B15R2.358 O=C(C1=NCCN1)c2ccccc2Cl Amb27401187 [1,1,0,0,0,0|0,0,1]=3 293 B15R2.358 OC(C1=CCCC1)c2ccccc2Cl Amb28126104 [1,1,0,0,0,0|2,0,0]=4 294 B15R2.358 OC(C1=CCCO1)c2ccccc2Cl Amb28192230 [1,1,0,0,0,0|2,0,0]=4 295 B15R2.358 OC(c1ccccc1Cl)[C@@H]2CCCN2 Amb29889847 [1,1,0,0,0,0|1,0,1]=4 296 B15R2.358 OC(c1ccccc1Cl)[C@H]2CCCN2 Amb30039110 [1,1,0,0,0,0|1,0,1]=4 297 B15R2.359 CN1CCN=C1Nc2ccccc2Br Amb28422611 [1,1,0,0,0,0|1,1,0]=4 298 B15R2.359 CN1CCN=C1Nc2ccccc2F Amb27272660 [1,1,0,0,0,0|1,1,0]=4 299 B15R2.359 ON1CCN\C1=N/c2ccccc2Cl Amb25377873 [1,1,0,0,0,0|1,0,1]=4 300 B15R2.1109 Cc1c(Br)cccc1NC2=NCCN2 Amb25691358 [1,1,0,0,0,0|2,0,0]=4 301 B15R2.1109 Cc1c(Cl)cccc1NC2=NCCN2 Amb26396533 [1,1,0,0,0,0|2,0,0]=4 302 B15R2.1109 Cc1c(F)cccc1NC2=NCCN2 Amb28191249 [1,1,0,0,0,0|2,0,0]=4 303 B15R2.1109 Cc1cccc(NC2=NCCN2)c1F Amb27260924 [1,1,0,0,0,0|1,1,0]=4 304 B15R2.1109 Cc1cccc(NC2=NCCS2)c1Cl Amb27232413 [1,1,0,0,0,0|2,0,0]=4 305 B15R2.1109 Clc1c(Br)cccc1NC2=NCCC2 Amb35721555 [1,1,0,0,0,0|2,0,0]=4 306 B15R2.1109 Clc1c(Br)cccc1NC2=NCCN2 Amb35721557 [1,1,0,0,0,0|1,0,0]=3 307 B15R2.1109 Clc1c(Br)cccc1NC2=NCCS2 Amb35721443 [1,1,0,0,0,0|2,0,0]=4 308 B15R2.1109 Clc1cccc(CC2=CCCC2)c1Cl Amb27221458 [1,1,0,0,0,0|2,0,0]=4 309 B15R2.1109 Clc1cccc(CC2CCCN2)c1Cl Amb27464950 [1,1,0,0,0,0|1,0,1]=4 310 B15R2.1109 Clc1cccc(CN2CCCN2)c1Cl Amb27473763 [1,1,0,0,0,0|2,0,0]=4 311 B15R2.1109 Fc1c(Br)cccc1NC2=NCCN2 Amb35615187 [1,1,0,0,0,0|1,1,0]=4 312 B15R2.1109 Fc1cccc(CC2CCCN2)c1Cl Amb24530347 [1,1,0,0,0,0|1,0,1]=4 313 B15R2.1109 Fc1cccc(CN2CCCN2)c1Cl Amb27856277 [1,1,0,0,0,0|2,0,0]=4 314 B15R2.1109 Fc1cccc(NC2=NCCC2)c1Cl Amb29864440 [1,1,0,0,0,0|2,0,0]=4 315 B15R2.1109 Fc1cccc(NC2=NCCS2)c1Cl Amb35706341 [1,1,0,0,0,0|2,0,0]=4 316 B15R2.1109 Nc1c(Cl)cccc1NC2=NCCN2 Amb32670320 [1,1,0,0,0,0|2,0,0]=4 317 B15R2.1109 Nc1c(F)cccc1NC2=NCCN2 Amb32670186 [1,1,0,0,0,0|2,0,0]=4 318 B15R2.1109 Nc1cccc(NC2=NCCN2)c1Cl Amb32670322 [1,1,0,0,0,0|1,0,0]=3 319 B15R2.1154 Cc1cc(Br)ccc1NC2=NCCN2 Amb26477497 [1,1,0,0,0,0|2,0,0]=4 320 B15R2.1154 Cc1cc(Cl)ccc1NC2=NCCN2 Amb24089676 [1,1,0,0,0,0|2,0,0]=4 321 B15R2.1154 Cc1cc(F)ccc1NC2=NCCN2 Amb28119236 [1,1,0,0,0,0|2,0,0]=4 322 B15R2.1154 Cc1cc(N)ccc1NC2=NCCN2 Amb28186423 [1,1,0,0,0,0|2,0,0]=4 323 B15R2.1154 Cc1ccc(CC2=NCCN2)c(C)c1 Amb18564543 [1,1,0,0,0,0|1,0,0]=3 324 B15R2.1154 Cc1ccc(CC2CCCN2)c(Cl)c1 Amb25703392 [1,1,0,0,0,0|1,0,1]=4 325 B15R2.1154 Cc1ccc(N=C2NCCN2)c(Cl)c1 Amb22734872 [1,1,0,0,0,0|1,0,1]=4 326 B15R2.1154 Cc1ccc(NC2=NCCC2)c(Cl)c1 Amb27245697 [1,1,0,0,0,0|2,0,0]=4 327 B15R2.1154 Cc1ccc(NC2=NCCN2)c(Cl)c1 Amb24096485 [1,1,0,0,0,0|1,0,0]=3 328 B15R2.1154 Cc1ccc(NC2=NCCN2)c(Cl)c1 Amb33548911 [1,1,0,0,0,0|1,0,0]=3 329 B15R2.1154 Cc1ccc(NC2=NCCN2)c(N)c1 Amb32670295 [1,1,0,0,0,0|2,0,0]=4 330 B15R2.1154 Clc1cc(Br)ccc1CC2CCCN2 Amb28145492 [1,1,0,0,0,0|1,0,1]=4 331 B15R2.1154 Clc1cc(I)ccc1NC2=NCCN2 Amb27837184 [1,1,0,0,0,0|1,0,0]=3 332 B15R2.1154 Clc1cc(I)ccc1NC2=NCCS2 Amb27414159 [1,1,0,0,0,0|2,0,0]=4 333 B15R2.1154 Clc1ccc(CC2=NCCN2)c(Cl)c1 Amb18070428 [1,1,0,0,0,0|0,0,0]=2 334 B15R2.1154 Clc1ccc(CC2CCCN2)c(Cl)c1 Amb3789954 [1,1,0,0,0,0|1,0,1]=4 335 B15R2.1154 Clc1ccc(NC2=NCCN2)c(I)c1 Amb27647447 [1,1,0,0,0,0|1,1,0]=4 336 B15R2.1154 Clc1ccc(NC2=NCCS2)c(Cl)c1 Amb3988103 [1,1,0,0,0,0|2,0,0]=4 337 B15R2.1154 Fc1cc(I)ccc1NC2=NCCN2 Amb35589489 [1,1,0,0,0,0|1,1,0]=4 338 B15R2.1154 Fc1ccc(CC2CCCN2)c(Cl)c1 Amb24679954 [1,1,0,0,0,0|1,0,1]=4 339 B15R2.1154 Nc1cc(Br)ccc1NC2=NCCN2 Amb32670309 [1,1,0,0,0,0|2,0,0]=4 340 B15R2.1154 Nc1cc(Cl)ccc1NC2=NCCN2 Amb24336736 [1,1,0,0,0,0|2,0,0]=4 341 B15R2.1154 Nc1cc(I)ccc1NC2=NCCN2 Amb32670328 [1,1,0,0,0,0|2,0,0]=4 342 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Br)c1 Amb32670290 [1,1,0,0,0,0|1,1,0]=4 343 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Cl)c1 Amb26904600 [1,1,0,0,0,0|1,0,0]=3 344 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Cl)c1 Amb32668076 [1,1,0,0,0,0|1,0,0]=3 345 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Cl)c1 Amb32668392 [1,1,0,0,0,0|1,0,0]=3 346 B15R2.1154 Nc1ccc(NC2=NCCN2)c(F)c1 Amb32670314 [1,1,0,0,0,0|1,1,0]=4 347 B15R2.1154 Nc1ccc(NC2=NCCN2)c(I)c1 Amb32670323 [1,1,0,0,0,0|1,1,0]=4 348 B15R2.1154 Nc1ccc(NC2=NCCN2)c(N)c1 Amb32670293 [1,1,0,0,0,0|2,0,0]=4 349 B15R2.1154 Oc1ccc(CC2CCCN2)c(Cl)c1 Amb33057340 [1,1,0,0,0,0|1,0,1]=4 350 B15R2.7567 Brc1ccc(I)cc1NC2=NCCN2 Amb28044264 [1,1,0,0,0,0|1,1,0]=4 351 B15R2.7567 Cc1ccc(Br)cc1NC2=NCCN2 Amb26497127 [1,1,0,0,0,0|2,0,0]=4 352 B15R2.7567 Cc1ccc(C)c(CC2=NCCN2)c1 Amb18564542 [1,1,0,0,0,0|1,0,0]=3 353 B15R2.7567 Cc1ccc(Cl)c(CC2CCCN2)c1 Amb33413721 [1,1,0,0,0,0|1,0,1]=4 354 B15R2.7567 Cc1ccc(Cl)c(NC2=NCCN2)c1 Amb27849020 [1,1,0,0,0,0|1,0,0]=3 355 B15R2.7567 Cc1ccc(Cl)c(NC2=NCCS2)c1 Amb27952236 [1,1,0,0,0,0|2,0,0]=4 356 B15R2.7567 Cc1ccc(Cl)cc1NC2=NCCN2 Amb24669132 [1,1,0,0,0,0|2,0,0]=4 357 B15R2.7567 Cc1ccc(F)c(CC2=NCCN2)c1 Amb27386977 [1,1,0,0,0,0|0,1,0]=3 358 B15R2.7567 Cc1ccc(F)cc1NC2=NCCN2 Amb24725470 [1,1,0,0,0,0|2,0,0]=4 359 B15R2.7567 Cc1ccc(N)c(NC2=NCCN2)c1 Amb32670313 [1,1,0,0,0,0|2,0,0]=4 360 B15R2.7567 Cc1ccc(N)cc1NC2=NCCN2 Amb28456123 [1,1,0,0,0,0|2,0,0]=4 361 B15R2.7567 Clc1ccc(Br)cc1CC2CCCN2 Amb25170322 [1,1,0,0,0,0|1,0,1]=4 362 B15R2.7567 Clc1ccc(Br)cc1NC2=NCCC2 Amb27586812 [1,1,0,0,0,0|2,0,0]=4 363 B15R2.7567 Clc1ccc(Br)cc1NC2=NCCN2 Amb28191251 [1,1,0,0,0,0|1,0,0]=3 364 B15R2.7567 Clc1ccc(Br)cc1NC2=NCCS2 Amb27404125 [1,1,0,0,0,0|2,0,0]=4 365 B15R2.7567 Clc1ccc(Cl)c(CC2CCCN2)c1 Amb25958363 [1,1,0,0,0,0|1,0,1]=4 366 B15R2.7567 Clc1ccc(Cl)c(NC2=NCCN2)c1 Amb26021142 [1,1,0,0,0,0|1,0,0]=3 367 B15R2.7567 Clc1ccc(I)c(NC2=NCCN2)c1 Amb35706425 [1,1,0,0,0,0|1,1,0]=4 368 B15R2.7567 Fc1ccc(Cl)c(CC2CCCN2)c1 Amb25271653 [1,1,0,0,0,0|1,0,1]=4 369 B15R2.7567 Fc1ccc(F)c(NC2=NCCN2)c1 Amb28396655 [1,1,0,0,0,0|1,1,0]=4 370 B15R2.7567 Nc1ccc(Br)c(NC2=NCCN2)c1 Amb32670306 [1,1,0,0,0,0|1,1,0]=4 371 B15R2.7567 Nc1ccc(Cl)c(NC2=NCCN2)c1 Amb24506898 [1,1,0,0,0,0|1,0,0]=3 372 B15R2.7567 Nc1ccc(Cl)cc1NC2=NCCN2 Amb32670298 [1,1,0,0,0,0|2,0,0]=4 373 B15R2.7567 Nc1ccc(F)c(NC2=NCCN2)c1 Amb32670296 [1,1,0,0,0,0|1,1,0]=4 374 B15R2.7567 Nc1ccc(F)cc1NC2=NCCN2 Amb32670221 [1,1,0,0,0,0|2,0,0]=4 375 B15R2.7567 Nc1ccc(N)c(NC2=NCCN2)c1 Amb32670294 [1,1,0,0,0,0|2,0,0]=4 376 B15R2.14892 CC1(Cc2ccccc2Cl)CCCN1 Amb26069561 [1,1,0,0,0,0|1,0,1]=4 377 B15R2.14892 CC1(Cc2ccccc2Cl)CCCN1 Amb32664183 [1,1,0,0,0,0|1,0,1]=4 378 B15R2.15368 NC(c1c(Cl)cccc1Cl)C2CCC2 Amb27621533 [0,1,0,0,1,0|1,0,1]=4 379 B15R2.15368 OC(c1c(Cl)cccc1Cl)C2CCC2 Amb27172646 [0,1,0,0,1,0|1,0,1]=4 380 B15R2.48035 NC1CN(Cc2c(Cl)cccc2Cl)C1 Amb28461453 [0,1,0,0,1,0|2,0,0]=4 381 B15R2.141901 OC1(Cc2c(Cl)cccc2Cl)CCC1 Amb27816989 [0,1,0,0,1,0|1,0,1]=4 382 B15R2.4201 Clc1cc(Cl)c([C@@H]2CCCN2)c(Cl)c1 Amb28196398 [0,1,0,0,1,0|1,0,1]=4 383 B15R2.4201 Fc1cc(F)c(C2=NCCN2)c(F)c1 Amb27403059 [0,1,0,0,1,0|0,2,0]=4 384 B15R2.6956 CC1CSC(c2c(Cl)cccc2Cl)N1 Amb27388972 [0,1,0,0,1,0|1,0,1]=4 385 B15R2.7647 Cn1cnnc1-c2c(Cl)cccc2Cl Amb28072804 [0,1,0,0,1,0|1,0,1]=4 386 B15R2.15647 Clc1ccc(Cl)c([C@H]2CCCN2)c1Cl Amb27606365 [0,1,0,0,1,0|1,0,1]=4 387 B15R2.15647 Fc1ccc(Cl)c([C@@H]2CCCN2)c1Cl Amb27751269 [0,1,0,0,1,0|1,0,1]=4 388 B17R2.5357 Cc1ccc(Cl)c(NC2=NCCCS2)c1Cl Amb9212139 [0,1,0,0,0,1|2,0,0]=4 389 B17R2.38423 Nn1cnnc1SCc2c(Cl)cccc2Cl Amb5526871 [0,1,0,0,0,1|1,0,1]=4 390 B17R2.41794 CC(Oc1c(Cl)cccc1Cl)C2=NCCN2 Amb8393109 [0,1,0,0,0,1|0,0,0]=2 391 B17R2.41794 CC(Oc1c(Cl)cccc1Cl)C2=NCCN2 Amb8628545 [0,1,0,0,0,1|0,0,0]=2 392 B17R2.83661 Cc1cc(C)c(OCC2=NCCN2)c(C)c1 Amb17075383 [0,1,0,0,0,1|2,0,0]=4 393 B17R2.276976 Cc1ccc(C)c(OCC2=NCCN2)c1C Amb17075381 [0,1,0,0,0,1|2,0,0]=4 394 B15R2.1117 Clc1cccc(CCC2=NCCN2)c1 Amb18568613 [0,0,1,1,0,0|1,0,1]=4 395 B15R2.1117 Clc1cccc(OCC2=NCCN2)c1 Amb17075356 [0,0,1,1,0,0|2,0,0]=4 396 B15R2.32838 CNC1(Cc2c(Cl)cccc2Cl)CC1 Amb33256553 [0,0,1,1,0,0|1,0,1]=4 397 B15R2.65094 NC(Cc1c(Cl)cccc1Cl)C2CC2 Amb27461890 [0,0,1,1,0,0|1,0,1]=4 398 B15R2.65094 O=C(Cc1c(Cl)cccc1Cl)C2CC2 Amb28203196 [0,0,1,1,0,0|2,0,0]=4 399 B15R2.541 Clc1cccc(Cl)c1C2CCCCN2 Amb3789952 [0,0,1,1,0,0|1,0,1]=4 400 B15R2.541 Clc1cccc(Cl)c1C2CCCNC2 Amb27866349 [0,0,1,1,0,0|1,0,1]=4 401 B15R2.541 Clc1cccc(Cl)c1C2CNCCO2 Amb24688186 [0,0,1,1,0,0|1,0,1]=4 402 B15R2.541 Clc1cccc(Cl)c1C2COCCN2 Amb26538890 [0,0,1,1,0,0|1,0,1]=4 403 B15R2.541 Clc1cccc(Cl)c1[C@@H]2CCCCN2 Amb28119261 [0,0,1,1,0,0|1,0,1]=4 404 B15R2.541 Clc1cccc(Cl)c1[C@@H]2CNCCO2 Amb28188524 [0,0,1,1,0,0|1,0,1]=4 405 B15R2.541 Clc1cccc(Cl)c1[C@H]2COCCN2 Amb27624544 [0,0,1,1,0,0|1,0,1]=4 406 B15R3.1701 c1ccc2c(c1)CC2C3=NCCN3 Amb27636401 [1,0,0,1,0,0|1,0,0]=3 407 B17R3.4464 Clc1cccc2c1CN(C3=NCCN3)C2 Amb22499525 [0,0,0,1,0,1|1,0,0]=3 408 B13R1.8528 CCC(NC)c1c(Cl)cccc1Cl Amb27412134 [0,0,1,0,1,0|1,0,1]=4 409 B13R1.4453 CCCC(=O)c1c(Cl)cccc1Cl Amb27641035 [0,0,1,0,1,0|2,0,0]=4 410 B13R1.4453 CCC[C@@H](N)c1c(Cl)cccc1Cl Amb27652691 [0,0,1,0,1,0|1,0,1]=4 411 B13R1.4453 CCNC(=N)c1c(Cl)cncc1Cl Amb27868515 [0,0,1,0,1,0|1,0,0]=3 412 B13R1.4453 CCNC(=O)c1c(Cl)cccc1I Amb28281643 [0,0,1,0,1,0|1,1,0]=4 413 B13R1.4453 CCNC(=O)c1c(Cl)cncc1Cl Amb27632641 [0,0,1,0,1,0|2,0,0]=4 414 B13R1.4453 CCNC(=O)c1c(O)cccc1Cl Amb27456216 [0,0,1,0,1,0|2,0,0]=4 415 B13R1.4453 CCOC(=N)c1c(Cl)cccc1Cl Amb27454721 [0,0,1,0,1,0|1,0,0]=3 416 B13R1.4453 CCOC(=O)c1c(Cl)cccc1Cl Amb4477463 [0,0,1,0,1,0|2,0,0]=4 417 B13R1.4453 CONC(=O)c1c(Cl)cccc1Cl Amb27618367 [0,0,1,0,1,0|2,0,0]=4 418 B13R1.4453 CO\N=C(/N)c1c(F)cccc1Cl Amb18864704 [0,0,1,0,1,0|1,1,0]=4 419 B13R2.18 Brc1ccccc1C2=NCCN2 Amb18069920 [1,0,0,0,1,0|0,1,0]=3 420 B13R2.18 Brc1ccccc1C2=NCCO2 Amb18063906 [1,0,0,0,1,0|1,1,0]=4 421 B13R2.18 Brc1cccnc1C2=NCCN2 Amb28401363 [1,0,0,0,1,0|1,1,0]=4 422 B13R2.18 Cc1ccccc1C2=NCCC2 Amb26420612 [1,0,0,0,1,0|2,0,0]=4 423 B13R2.18 Cc1ccccc1C2=NCCN2 Amb18563497 [1,0,0,0,1,0|1,0,0]=3 424 B13R2.18 Clc1ccccc1C2=NCCC2 Amb22285378 [1,0,0,0,1,0|1,0,0]=3 425 B13R2.18 Clc1ccccc1C2=NCCN2 Amb8487312 [1,0,0,0,1,0|0,0,0]=2 426 B13R2.18 Clc1ccccc1C2=NCCS2 Amb10573095 [1,0,0,0,1,0|1,0,0]=3 427 B13R2.18 Clc1ccccc1C2CCCN2 Amb19887240 [1,0,0,0,1,0|1,0,1]=4 428 B13R2.18 Clc1ccccc1C2CCCN2 Amb9713718 [1,0,0,0,1,0|1,0,1]=4 429 B13R2.18 Clc1ccccc1C2NCCO2 Amb17335655 [1,0,0,0,1,0|1,0,1]=4 430 B13R2.18 Clc1ccccc1C2NCCP2 Amb27616986 [1,0,0,0,1,0|0,1,1]=4 431 B13R2.18 Clc1ccccc1C2NCCS2 Amb1294336 [1,0,0,0,1,0|1,0,1]=4 432 B13R2.18 Clc1ccccc1[C@@H]2CCCN2 Amb24062899 [1,0,0,0,1,0|1,0,1]=4 433 B13R2.18 Clc1ccccc1[C@@H]2CCCN2 Amb8397172 [1,0,0,0,1,0|1,0,1]=4 434 B13R2.18 Clc1ccccc1[C@H]2CCCN2 Amb24078711 [1,0,0,0,1,0|1,0,1]=4 435 B13R2.18 Clc1ccccc1[C@H]2CCCN2 Amb8397173 [1,0,0,0,1,0|1,0,1]=4 436 B13R2.18 Clc1ncccc1C2=NCCC2 Amb23444816 [1,0,0,0,1,0|2,0,0]=4 437 B13R2.18 Fc1ccccc1C2=NCCC2 Amb28137768 [1,0,0,0,1,0|1,1,0]=4 438 B13R2.18 Fc1ccccc1C2=NCCN2 Amb17578183 [1,0,0,0,1,0|0,1,0]=3 439 B13R2.18 Fc1ccccc1C2=NCCO2 Amb27780524 [1,0,0,0,1,0|1,1,0]=4 440 B13R2.18 Ic1ccccc1C2=NCCC2 Amb28435190 [1,0,0,0,1,0|1,1,0]=4 441 B13R2.18 Nc1ccccc1C2=NCCN2 Amb6739917 [1,0,0,0,1,0|1,0,0]=3 442 B13R2.18 Nc1ccccc1C2=NCCO2 Amb18063926 [1,0,0,0,1,0|2,0,0]=4 443 B13R2.18 O=C1NC=CC=C1C2=NCCN2 Amb35675545 [1,0,0,0,1,0|2,0,0]=4 444 B13R2.18 Oc1ccccc1C2=NCCN2 Amb4027022 [1,0,0,0,1,0|1,0,0]=3 445 B13R2.18 Oc1ccccc1C2=NCCO2 Amb18645804 [1,0,0,0,1,0|2,0,0]=4 446 B13R2.18 Sc1ccccc1C2=CCCN2 Amb22363566 [1,0,0,0,1,0|2,0,0]=4 447 B13R2.18 Sc1ccccc1C2=NCCN2 Amb2425856 [1,0,0,0,1,0|1,0,0]=3 448 B13R2.5225 Cc1ccccc1CC2CCN2 Amb27864423 [1,0,0,0,1,0|1,0,1]=4 449 B13R2.5225 Fc1ccccc1CC2CCN2 Amb27491866 [1,0,0,0,1,0|0,1,1]=4 450 B13R2.402 Clc1cccc(Cl)c1CC2CO2 Amb32698714 [0,0,0,0,2,0|1,0,1]=4 451 B13R2.402 Clc1cccc(Cl)c1NC2CC2 Amb27972589 [0,0,0,0,2,0|1,0,1]=4 452 B13R2.3490 Cc1cccc(Cl)c1C2CCN2 Amb24436523 [0,0,0,0,2,0|1,0,1]=4 453 B13R2.3490 Clc1cccc(Br)c1C2CCN2 Amb33337610 [0,0,0,0,2,0|0,1,1]=4 454 B13R2.3490 Clc1cccc(Cl)c1C2CCN2 Amb27859771 [0,0,0,0,2,0|0,0,1]=3 455 B13R2.3490 Clc1cccc(Cl)c1N2CCC2 Amb27226146 [0,0,0,0,2,0|2,0,0]=4 456 B13R2.3490 Clc1cccc(I)c1[C@H]2CCN2 Amb27476260 [0,0,0,0,2,0|0,1,1]=4 457 B13R2.3490 Clc1cncc(Cl)c1C2CCN2 Amb27397967 [0,0,0,0,2,0|1,0,1]=4 458 B13R2.3490 Fc1cccc(Cl)c1C2CCN2 Amb25251883 [0,0,0,0,2,0|0,1,1]=4 459 B13R2.3490 Fc1cccc(Cl)c1[C@H]2CCN2 Amb27784853 [0,0,0,0,2,0|0,1,1]=4 460 B13R2.3490 Oc1cccc(Cl)c1C2CCN2 Amb27816452 [0,0,0,0,2,0|1,0,1]=4 461 B13R2.3490 Oc1cccc(Cl)c1[C@H]2CCN2 Amb27655248 [0,0,0,0,2,0|1,0,1]=4 462 B15R2.38 Clc1ccccc1CC2=NCCCN2 Amb27957840 [1,0,0,0,0,1|0,0,0]=2 463 B15R2.38 Clc1ccccc1CC2CCCCN2 Amb3789034 [1,0,0,0,0,1|1,0,1]=4 464 B15R2.38 Clc1ccccc1CC2CCCNC2 Amb10068906 [1,0,0,0,0,1|1,0,1]=4 465 B15R2.38 Clc1ccccc1CC2CCCNC2 Amb17240500 [1,0,0,0,0,1|1,0,1]=4 466 B15R2.38 Clc1ccccc1CC2CNCCN2 Amb18569219 [1,0,0,0,0,1|0,0,2]=4 467 B15R2.38 Clc1ccccc1CC2CNCCO2 Amb18569395 [1,0,0,0,0,1|1,0,1]=4 468 B15R2.38 Clc1ccccc1CC2CNCCS2 Amb18571824 [1,0,0,0,0,1|1,0,1]=4 469 B15R2.38 Clc1ccccc1CC2COCCN2 Amb18569388 [1,0,0,0,0,1|1,0,1]=4 470 B15R2.38 Clc1ccccc1CC2CSCCN2 Amb18571821 [1,0,0,0,0,1|1,0,1]=4 471 B15R2.38 Clc1ccccc1CN2CCCNC2 Amb16230276 [1,0,0,0,0,1|2,0,0]=4 472 B15R2.38 Clc1ccccc1C[C@@H]2CCCNC2 Amb27428898 [1,0,0,0,0,1|1,0,1]=4 473 B15R2.38 Clc1ccccc1C[C@H]2CCCNC2 Amb28384697 [1,0,0,0,0,1|1,0,1]=4 474 B15R2.38 Clc1ccccc1NC2=NCCCC2 Amb27425474 [1,0,0,0,0,1|2,0,0]=4 475 B15R2.38 Clc1ccccc1NC2=NCCCN2 Amb28059532 [1,0,0,0,0,1|1,0,0]=3 476 B15R2.38 Clc1ccccc1NC2=NCCCS2 Amb6573263 [1,0,0,0,0,1|2,0,0]=4 477 B15R2.38 Clc1ccccc1\C=C2/CCCNC2 Amb31117519 [1,0,0,0,0,1|1,0,1]=4 478 B15R2.38 Clc1ncccc1CC2=NCCCN2 Amb27234703 [1,0,0,0,0,1|1,0,0]=3 479 B15R2.38 Fc1ccccc1CC2=NCCCN2 Amb28044526 [1,0,0,0,0,1|0,1,0]=3 480 B15R2.38 Nc1ccccc1NC2=NCCCN2 Amb27632355 [1,0,0,0,0,1|2,0,0]=4 481 B15R2.562 Brc1ccccc1CCC2=NCCN2 Amb18584296 [1,0,0,0,0,1|0,1,0]=3 482 B15R2.562 Brc1ccccc1CNC2=NCCC2 Amb27233229 [1,0,0,0,0,1|1,1,0]=4 483 B15R2.562 Brc1ccccc1CNC2=NCCO2 Amb28139564 [1,0,0,0,0,1|1,1,0]=4 484 B15R2.562 Brc1ccccc1CSC2=NCCN2 Amb186215 [1,0,0,0,0,1|0,1,0]=3 485 B15R2.562 Brc1ccccc1OCC2=NCCN2 Amb17075358 [1,0,0,0,0,1|0,1,0]=3 486 B15R2.562 Cc1ccccc1CCC2=NCCN2 Amb8496573 [1,0,0,0,0,1|1,0,0]=3 487 B15R2.562 Cc1ccccc1CNC2=NCCC2 Amb27803487 [1,0,0,0,0,1|2,0,0]=4 488 B15R2.562 Cc1ccccc1CNC2=NCCO2 Amb27413667 [1,0,0,0,0,1|2,0,0]=4 489 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb1485630 [1,0,0,0,0,1|1,0,0]=3 490 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb17760664 [1,0,0,0,0,1|1,0,0]=3 491 B15R2.562 Cc1ccccc1OCC2=NCCN2 Amb17075350 [1,0,0,0,0,1|1,0,0]=3 492 B15R2.562 Cc1cccnc1CNC2=NCCN2 Amb27407514 [1,0,0,0,0,1|2,0,0]=4 493 B15R2.562 Clc1ccccc1CCC2=NCCC2 Amb25788977 [1,0,0,0,0,1|1,0,0]=3 494 B15R2.562 Clc1ccccc1CCC2=NCCN2 Amb8496574 [1,0,0,0,0,1|0,0,0]=2 495 B15R2.562 Clc1ccccc1CCC2CCCN2 Amb17240493 [1,0,0,0,0,1|1,0,1]=4 496 B15R2.562 Clc1ccccc1CNC2=NCCO2 Amb27794610 [1,0,0,0,0,1|1,0,0]=3 497 B15R2.562 Clc1ccccc1CNC2=NCCS2 Amb7803949 [1,0,0,0,0,1|1,0,0]=3 498 B15R2.562 Clc1ccccc1CSC2=NCCN2 Amb5521557 [1,0,0,0,0,1|0,0,0]=2 499 B15R2.562 Clc1ccccc1CSC2=NCCN2 Amb9175084 [1,0,0,0,0,1|0,0,0]=2 500 B15R2.562 Clc1ccccc1NCC2CCCN2 Amb17240796 [1,0,0,0,0,1|1,0,1]=4 501 B15R2.562 Clc1ccccc1OCC2=NCCN2 Amb17075355 [1,0,0,0,0,1|0,0,0]=2 502 B15R2.562 Clc1ccccc1OCC2CCCN2 Amb22642579 [1,0,0,0,0,1|1,0,1]=4 503 B15R2.562 Clc1ccccc1OCC2CCCN2 Amb32662166 [1,0,0,0,0,1|1,0,1]=4 504 B15R2.562 Clc1ccccc1OC[C@@H]2CCCN2 Amb17051840 [1,0,0,0,0,1|1,0,1]=4 505 B15R2.562 Clc1ccccc1SCC2CCCN2 Amb27255836 [1,0,0,0,0,1|1,0,1]=4 506 B15R2.562 Clc1cnccc1CSC2=NCCN2 Amb27636979 [1,0,0,0,0,1|1,0,0]=3 507 B15R2.562 Clc1ncccc1CSC2=NCCN2 Amb27194954 [1,0,0,0,0,1|1,0,0]=3 508 B15R2.562 Fc1ccccc1CCC2=NCCN2 Amb18565096 [1,0,0,0,0,1|0,1,0]=3 509 B15R2.562 Fc1ccccc1CSC2=NCCN2 Amb6335158 [1,0,0,0,0,1|0,1,0]=3 510 B15R2.562 Fc1ccccc1CSC2=NCCN2 Amb6367843 [1,0,0,0,0,1|0,1,0]=3 511 B15R2.562 Fc1ccccc1C\N=C2\CCCN2 Amb4516602 [1,0,0,0,0,1|1,1,0]=4 512 B15R2.562 Fc1ccccc1OCC2=NCCN2 Amb17075353 [1,0,0,0,0,1|0,1,0]=3 513 B15R2.562 Fc1ccccc1SCC2=NCCN2 Amb27630302 [1,0,0,0,0,1|0,1,0]=3 514 B15R2.562 Nc1ccccc1CN=C2NCCN2 Amb27386755 [1,0,0,0,0,1|1,0,1]=4 515 B15R2.562 Nc1ccccc1OCC2=NCCN2 Amb27830939 [1,0,0,0,0,1|1,0,0]=3 516 B15R2.562 Nc1ccccc1\C=C\C2=NCCN2 Amb25901006 [1,0,0,0,0,1|1,0,1]=4 517 B15R2.562 Oc1ccccc1CCC2=NCCN2 Amb28346499 [1,0,0,0,0,1|1,0,0]=3 518 B15R2.562 Oc1ccccc1CNC2=NCCC2 Amb28453641 [1,0,0,0,0,1|2,0,0]=4 519 B17R2.3933 Clc1cccc(Cl)c1CNC2CCCNC2 Amb20616364 [0,0,0,0,0,2|1,0,1]=4 520 B17R2.3933 Clc1cccc(Cl)c1COC2CCCNC2 Amb20616343 [0,0,0,0,0,2|1,0,1]=4 521 B17R2.3933 Clc1cccc(Cl)c1OCC2CCCNC2 Amb17051900 [0,0,0,0,0,2|1,0,1]=4 522 B17R2.3933 Clc1cccc(Cl)c1OCC2CNCCO2 Amb5733328 [0,0,0,0,0,2|1,0,1]=4 523 B17R2.3933 Clc1cccc(Cl)c1OCC2COCCN2 Amb18073743 [0,0,0,0,0,2|1,0,1]=4 524 B17R2.3933 Clc1cccc(Cl)c1OCC2CSCCN2 Amb18596224 [0,0,0,0,0,2|1,0,1]=4 525 B17R2.3933 Clc1cccc(Cl)c1SCC2CCCCN2 Amb22395631 [0,0,0,0,0,2|1,0,1]=4 526 B17R2.3933 Clc1cccc(Cl)c1SCC2CCCNC2 Amb22395610 [0,0,0,0,0,2|1,0,1]=4 527 B17R2.3933 Fc1cccc(Cl)c1CSC2=NCCCN2 Amb31201832 [0,0,0,0,0,2|0,1,0]=3 528 B17R2.41733 Clc1cccc(Cl)c1CN2CCCNCC2 Amb9212674 [0,0,0,0,0,2|2,0,0]=4 529 B17R2.41802 Cc1cccc(C)c1OCCC2=NCCN2 Amb18570562 [0,0,0,0,0,2|2,0,0]=4 530 B17R2.41802 Clc1cccc(Cl)c1CNCC2CCCN2 Amb20617162 [0,0,0,0,0,2|1,0,1]=4 531 B17R2.41802 Clc1cccc(Cl)c1COCC2CCCN2 Amb20617158 [0,0,0,0,0,2|1,0,1]=4 532 B17R2.41802 Clc1cccc(Cl)c1COC[C@@H]2CCCN2 Amb17061767 [0,0,0,0,0,2|1,0,1]=4 533 B17R2.41802 Clc1cccc(Cl)c1OCCC2=NCCN2 Amb18587525 [0,0,0,0,0,2|0,0,0]=2 534 B17R2.41802 Clc1cccc(Cl)c1OCCC2CCCN2 Amb17415774 [0,0,0,0,0,2|1,0,1]=4