0 B15R2.15371 CC1=CC=CC(=O)N1C[C@@H]2CCCN2 Amb27875929 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.15371 Cc1cccc(Br)c1NC2=NCCC2 Amb35725746 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.15371 Cc1cccc(Br)c1NC2=NCCN2 Amb35725748 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.15371 Cc1cccc(Br)c1NC2=NCCS2 Amb35717785 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.15371 Cc1cccc(C)c1CC2CCCN2 Amb27468312 [0,0,0,0,0,0|1,0,1]=2 5 B15R2.15371 Cc1cccc(C)c1CC2CCNC2 Amb28183743 [0,0,0,0,0,0|3,0,1]=4 6 B15R2.15371 Cc1cccc(C)c1Cn2ccnn2 Amb35672800 [0,0,0,0,0,0|3,0,1]=4 7 B15R2.15371 Cc1cccc(C)c1NC2=NCCC2 Amb25765497 [0,0,0,0,0,0|2,0,0]=2 8 B15R2.15371 Cc1cccc(C)c1NC2=NCCN2 Amb27230447 [0,0,0,0,0,0|1,0,0]=1 9 B15R2.15371 Cc1cccc(C)c1NC2=NCCS2 Amb2762649 [0,0,0,0,0,0|2,0,0]=2 10 B15R2.15371 Cc1cccc(C)c1Nc2nnns2 Amb1078800 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.15371 Cc1cccc(C)c1OC2=NCCN2 Amb27799765 [0,0,0,0,0,0|1,0,0]=1 12 B15R2.15371 Cc1cccc(Cl)c1CC2CCCN2 Amb27234780 [0,0,0,0,0,0|2,0,1]=3 13 B15R2.15371 Cc1cccc(Cl)c1NC2=NCCC2 Amb27791455 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.15371 Cc1cccc(Cl)c1NC2=NCCS2 Amb27953445 [0,0,0,0,0,0|3,0,0]=3 15 B15R2.15371 Cc1cccc(F)c1CC2CCCN2 Amb25233274 [0,0,0,0,0,0|2,0,1]=3 16 B15R2.15371 Cc1cccc(N)c1NC2=NCCN2 Amb32670292 [0,0,0,0,0,0|2,0,0]=2 17 B15R2.15371 Clc1cccc(Br)c1CC2=CCCC2 Amb27627192 [0,0,0,0,0,0|4,0,0]=4 18 B15R2.15371 Clc1cccc(Br)c1CC2CCCN2 Amb33335901 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.15371 Clc1cccc(Cl)c1CC2CCCN2 Amb3789948 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.15371 Clc1cccc(Cl)c1N=C2NCCN2 Amb3499354 [0,0,0,0,0,0|3,0,1]=4 21 B15R2.15371 Clc1cccc(Cl)c1N=C2NCCN2 Amb8383553 [0,0,0,0,0,0|3,0,1]=4 22 B15R2.15371 Clc1cccc(Cl)c1NC2=NCCN2 Amb19959948 [0,0,0,0,0,0|3,0,0]=3 23 B15R2.15371 Clc1cccc(Cl)c1NC2=NCCN2 Amb2719945 [0,0,0,0,0,0|3,0,0]=3 24 B15R2.15371 Clc1cccc(Cl)c1\N=C2/NCCO2 Amb24382649 [0,0,0,0,0,0|4,0,0]=4 25 B15R2.15371 Clc1cccc(Cl)c1\N=C2\CCCN2 Amb22077849 [0,0,0,0,0,0|4,0,0]=4 26 B15R2.15371 Clc1cccc(I)c1CC2=NCCN2 Amb27164098 [0,0,0,0,0,0|2,0,0]=2 27 B15R2.15371 Fc1cccc(Br)c1CC2CCCN2 Amb28434429 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.15371 Fc1cccc(Br)c1NC2=NCCN2 Amb17619983 [0,0,0,0,0,0|3,0,0]=3 29 B15R2.15371 Fc1cccc(Br)c1NC2=NCCN2 Amb24325460 [0,0,0,0,0,0|3,0,0]=3 30 B15R2.15371 Fc1cccc(Br)c1NC2=NCCS2 Amb27883548 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.15371 Fc1cccc(Cl)c1CC2=NCCN2 Amb18569509 [0,0,0,0,0,0|2,0,0]=2 32 B15R2.15371 Fc1cccc(Cl)c1CC2CCCN2 Amb9184619 [0,0,0,0,0,0|3,0,1]=4 33 B15R2.15371 Fc1cccc(Cl)c1CC2CCCN2 Amb9205735 [0,0,0,0,0,0|3,0,1]=4 34 B15R2.15371 Fc1cccc(Cl)c1NC2=NCCS2 Amb27592289 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.15371 Fc1cccc(F)c1CC2=CCCC2 Amb27248748 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.15371 Fc1cccc(F)c1CC2CCCN2 Amb24371452 [0,0,0,0,0,0|3,0,1]=4 37 B15R2.15371 Fc1cccc(F)c1CN2CCCN2 Amb27775239 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.15371 Fc1cccc(F)c1\N=C2\NCCO2 Amb28364935 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.15371 Nc1cccc(Cl)c1NC2=NCCN2 Amb32670317 [0,0,0,0,0,0|3,0,0]=3 40 B15R2.15371 Nc1cccc(F)c1NC2=NCCN2 Amb32670318 [0,0,0,0,0,0|3,0,0]=3 41 B15R2.15371 Oc1cccc(Br)c1CC2CCCN2 Amb33331542 [0,0,0,0,0,0|3,0,1]=4 42 B15R2.15371 Oc1cccc(Cl)c1CC2CCCN2 Amb33260757 [0,0,0,0,0,0|3,0,1]=4 43 B14R2.50 Brc1ccccc1CC2CCCN2 Amb18156960 [1,0,0,0,0,0|2,0,1]=4 44 B14R2.50 Brc1ccccc1CC2CCCN2 Amb32663787 [1,0,0,0,0,0|2,0,1]=4 45 B14R2.50 Brc1ccccc1NC2=NCCN2 Amb27985485 [1,0,0,0,0,0|2,0,0]=3 46 B14R2.50 Brc1ccccc1\N=C2/CCCN2 Amb19200230 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.50 Cc1ccccc1CC2=NCCN2 Amb18065544 [1,0,0,0,0,0|0,0,0]=1 48 B14R2.50 Cc1ccccc1CC2CCCN2 Amb9713268 [1,0,0,0,0,0|1,0,1]=3 49 B14R2.50 Cc1ccccc1CC2OCCO2 Amb6306192 [1,0,0,0,0,0|2,0,1]=4 50 B14R2.50 Cc1ccccc1CN2CCCC2 Amb27974675 [1,0,0,0,0,0|3,0,0]=4 51 B14R2.50 Cc1ccccc1CN2CCCN2 Amb27787264 [1,0,0,0,0,0|2,0,0]=3 52 B14R2.50 Cc1ccccc1C[C@@H]2CCCN2 Amb33191267 [1,0,0,0,0,0|1,0,1]=3 53 B14R2.50 Cc1ccccc1C[C@H]2CCCN2 Amb33191258 [1,0,0,0,0,0|1,0,1]=3 54 B14R2.50 Cc1ccccc1NC2=NCCS2 Amb1103908 [1,0,0,0,0,0|2,0,0]=3 55 B14R2.50 Cc1cccnc1CC2CCCN2 Amb2235412 [1,0,0,0,0,0|2,0,1]=4 56 B14R2.50 Cc1cccnc1CN2CCCN2 Amb27620790 [1,0,0,0,0,0|3,0,0]=4 57 B14R2.50 Cc1cccnc1NC2=NCCN2 Amb27187478 [1,0,0,0,0,0|2,0,0]=3 58 B14R2.50 Cc1ccncc1CC2=CCCC2 Amb27235134 [1,0,0,0,0,0|3,0,0]=4 59 B14R2.50 Cc1ccncc1CC2CCCN2 Amb27474542 [1,0,0,0,0,0|2,0,1]=4 60 B14R2.50 Cc1cnccc1CC2CCCN2 Amb27660174 [1,0,0,0,0,0|2,0,1]=4 61 B14R2.50 Cc1ncccc1CC2CCCN2 Amb32880137 [1,0,0,0,0,0|2,0,1]=4 62 B14R2.50 Clc1ccccc1CC2=NCCN2 Amb18066352 [1,0,0,0,0,0|1,0,0]=2 63 B14R2.50 Clc1ccccc1CC2CCCN2 Amb2235504 [1,0,0,0,0,0|2,0,1]=4 64 B14R2.50 Clc1ccccc1CC2CCCN2 Amb9714261 [1,0,0,0,0,0|2,0,1]=4 65 B14R2.50 Clc1ccccc1CN2CCCN2 Amb27874427 [1,0,0,0,0,0|3,0,0]=4 66 B14R2.50 Clc1ccccc1NC2=NCCC2 Amb3319443 [1,0,0,0,0,0|3,0,0]=4 67 B14R2.50 Clc1ccccc1NC2=NCCS2 Amb2257757 [1,0,0,0,0,0|3,0,0]=4 68 B14R2.50 Fc1ccccc1CC2=CCCC2 Amb27464822 [1,0,0,0,0,0|3,0,0]=4 69 B14R2.50 Fc1ccccc1CC2=NCCN2 Amb18065750 [1,0,0,0,0,0|1,0,0]=2 70 B14R2.50 Fc1ccccc1CC2CCCN2 Amb9711526 [1,0,0,0,0,0|2,0,1]=4 71 B14R2.50 Fc1ccccc1CN2CCCN2 Amb27969471 [1,0,0,0,0,0|3,0,0]=4 72 B14R2.50 Fc1ccccc1NC2=NCCN2 Amb27758432 [1,0,0,0,0,0|2,0,0]=3 73 B14R2.50 Fc1ccccc1NC2=NCCS2 Amb7755217 [1,0,0,0,0,0|3,0,0]=4 74 B14R2.50 Nc1ccccc1CC2CCCN2 Amb18064662 [1,0,0,0,0,0|2,0,1]=4 75 B14R2.50 Nc1ccccc1NC2=NCCN2 Amb25040556 [1,0,0,0,0,0|2,0,0]=3 76 B14R2.50 Oc1ccccc1CC2CCCN2 Amb18062875 [1,0,0,0,0,0|2,0,1]=4 77 B14R2.50 [O-][n+]1ccccc1SC2=NCCN2 Amb26034910 [1,0,0,0,0,0|3,0,0]=4 78 B16R2.6175 Cc1cc(C)c(CC2=NCCN2)c(C)c1 Amb18566595 [0,1,0,0,0,0|0,0,0]=1 79 B16R2.6175 Cc1cc(C)c(CC2CCCN2)c(C)c1 Amb17237879 [0,1,0,0,0,0|1,0,1]=3 80 B16R2.6175 Cc1cc(C)c(CC2OCCO2)c(C)c1 Amb6306211 [0,1,0,0,0,0|2,0,1]=4 81 B16R2.6175 Cc1cc(N)c(NC2=NCCN2)c(Br)c1 Amb32670316 [0,1,0,0,0,0|3,0,0]=4 82 B16R2.6175 Cc1cc(N)c(NC2=NCCN2)c(Cl)c1 Amb32670325 [0,1,0,0,0,0|3,0,0]=4 83 B16R2.6175 Nc1cc(Br)cc(Br)c1NC2=NCCN2 Amb32670304 [0,1,0,0,0,0|3,0,0]=4 84 B16R2.6175 Nc1cc(Br)cc(F)c1NC2=NCCN2 Amb32670312 [0,1,0,0,0,0|3,0,0]=4 85 B16R2.6175 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 Amb20622176 [0,1,0,0,0,0|3,0,0]=4 86 B16R2.6175 Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1 Amb8628562 [0,1,0,0,0,0|3,0,0]=4 87 B16R2.6175 Nc1cc(Cl)cc(Cl)c1NC2=NCCN2 Amb32670303 [0,1,0,0,0,0|3,0,0]=4 88 B16R2.6175 Nc1cc(F)cc(Br)c1NC2=NCCN2 Amb32670321 [0,1,0,0,0,0|3,0,0]=4 89 B16R2.6175 Nc1cc(F)cc(F)c1NC2=NCCN2 Amb32670311 [0,1,0,0,0,0|3,0,0]=4 90 B16R2.11484 Cc1cccc(C)c1CC2CCC(Cl)C2 Amb28350792 [0,1,0,0,0,0|2,0,1]=4 91 B16R2.11484 Cc1cccc(C)c1CN2CCC(Cl)C2 Amb27205843 [0,1,0,0,0,0|3,0,0]=4 92 B16R2.11484 Cc1cccc(C)c1NC2=NC(=O)CS2 Amb1104022 [0,1,0,0,0,0|2,0,1]=4 93 B16R2.11484 Cc1cccc(C)c1\N=C2/NC(=O)CS2 Amb2246951 [0,1,0,0,0,0|2,0,1]=4 94 B16R2.14153 Cc1cccc(C)c1CC2CCCC2Br Amb27766022 [0,1,0,0,0,0|2,0,1]=4 95 B16R2.25684 Cc1cccc(C)c1C(=O)C2=CCCC2 Amb27640775 [0,1,0,0,0,0|2,0,1]=4 96 B16R2.26187 Nc1ccc(F)c(F)c1NC2=NCCN2 Amb32670315 [0,1,0,0,0,0|3,0,0]=4 97 B16R2.41276 COc1cccc(Br)c1CC2CCCN2 Amb33451589 [0,1,0,0,0,0|2,0,1]=4 98 B16R2.41276 COc1cccc(C)c1CC2CCCN2 Amb33447829 [0,1,0,0,0,0|1,0,1]=3 99 B16R2.41276 COc1cccc(F)c1CC2CCCN2 Amb33202277 [0,1,0,0,0,0|2,0,1]=4 100 B14R1.16281 CN\C(=N/N)Nc1c(C)ccnc1C Amb28456865 [0,0,1,0,0,0|3,0,0]=4 101 B14R1.16281 CN\C(=N\N)Nc1c(C)cccc1Br Amb35720988 [0,0,1,0,0,0|3,0,0]=4 102 B14R1.16281 CN\C(=N\N)Nc1c(C)cccc1C Amb28422648 [0,0,1,0,0,0|2,0,0]=3 103 B14R1.16281 CN\C(=N\N)Nc1c(C)cccc1Cl Amb27601965 [0,0,1,0,0,0|3,0,0]=4 104 B14R1.16281 CN\C(Cc1c(F)cccc1F)=N\N Amb28140382 [0,0,1,0,0,0|3,0,0]=4 105 B14R1.16281 C\N=C(\NC)Nc1c(C)cccc1Br Amb35720997 [0,0,1,0,0,0|2,0,0]=3 106 B14R1.16281 C\N=C(\NC)Nc1c(C)cccc1F Amb27860492 [0,0,1,0,0,0|2,0,0]=3 107 B14R1.16281 C\N=C(\NC)Nc1c(F)cccc1F Amb27623187 [0,0,1,0,0,0|3,0,0]=4 108 B14R1.19171 CCCC(=N)Nc1c(C)cccc1Br Amb35725839 [0,0,1,0,0,0|3,0,0]=4 109 B14R1.19171 CCCC(=N)Nc1c(C)cccc1C Amb27262346 [0,0,1,0,0,0|2,0,0]=3 110 B14R1.19171 CCCC(=N)Nc1c(C)cccc1F Amb28141176 [0,0,1,0,0,0|3,0,0]=4 111 B14R1.19171 CCCC(=O)Nc1c(C)cccc1C Amb3367595 [0,0,1,0,0,0|3,0,0]=4 112 B14R1.19171 CCNC(=N)Nc1c(C)cccc1Br Amb35721163 [0,0,1,0,0,0|2,0,0]=3 113 B14R1.19171 CCNC(=N)Nc1c(Cl)cccc1Cl Amb28184043 [0,0,1,0,0,0|3,0,0]=4 114 B14R1.19171 CCNC(=N)Nc1c(F)cccc1Br Amb27453072 [0,0,1,0,0,0|3,0,0]=4 115 B14R1.19171 CCNC(=O)Cc1c(F)cccc1Cl Amb6418773 [0,0,1,0,0,0|3,0,0]=4 116 B14R1.19171 CCNC(=O)Nc1c(C)cccc1Br Amb35718021 [0,0,1,0,0,0|3,0,0]=4 117 B14R1.19171 CCNC(=O)Nc1c(C)cccc1C Amb4018358 [0,0,1,0,0,0|2,0,0]=3 118 B14R1.19171 CCNC(=O)Nc1c(C)cccc1F Amb28454995 [0,0,1,0,0,0|3,0,0]=4 119 B14R1.19171 CCNC(=O)Nc1c(C)cccc1N Amb8855015 [0,0,1,0,0,0|3,0,0]=4 120 B14R1.19171 CCNC(=O)Nc1c(C)ccnc1C Amb27207171 [0,0,1,0,0,0|3,0,0]=4 121 B14R1.19171 CCNC(=S)Nc1c(C)cccc1Br Amb35717912 [0,0,1,0,0,0|3,0,0]=4 122 B14R1.19171 CCNC(=S)Nc1c(C)cccc1C Amb6334895 [0,0,1,0,0,0|2,0,0]=3 123 B14R1.19171 CCNC(=S)Nc1c(C)ccnc1C Amb27243067 [0,0,1,0,0,0|3,0,0]=4 124 B14R1.19171 CCOC(=N)Cc1c(Cl)cccc1Cl Amb20673162 [0,0,1,0,0,0|3,0,0]=4 125 B14R1.19171 CCOC(=O)Nc1c(C)cccc1C Amb3101821 [0,0,1,0,0,0|3,0,0]=4 126 B14R1.19171 CNNC(=N)Nc1c(C)cccc1C Amb27643494 [0,0,1,0,0,0|2,0,0]=3 127 B14R1.19171 CONC(=O)Nc1c(C)cccc1C Amb25678596 [0,0,1,0,0,0|3,0,0]=4 128 B14R1.20339 CCCCNCc1c(C)cccc1C Amb33442114 [0,0,1,0,0,0|3,0,0]=4 129 B14R1.20339 CCCN\C=N\c1c(C)cccc1C Amb27393628 [0,0,1,0,0,0|2,0,0]=3 130 B14R1.20339 Cc1cccc(C)c1CNCCCO Amb33442124 [0,0,1,0,0,0|3,0,0]=4 131 B16R3.27813 Cc1cccc2c1N=C3NCCN3C2 Amb25068894 [0,0,0,1,0,0|1,0,1]=3 132 B16R3.27813 Cc1cccc2cc3c(nc12)NCC3 Amb5723649 [0,0,0,1,0,0|2,0,1]=4 133 B14R2.4572 Cc1ccc(C)n1CC2CCCN2 Amb18286505 [0,0,0,0,1,0|2,0,1]=4 134 B14R2.4572 Cc1noc(C)c1CC2=NCCN2 Amb26431461 [0,0,0,0,1,0|2,0,0]=3 135 B14R2.5333 Cc1cccc(C)c1CC2CNC2 Amb26658643 [0,0,0,0,1,0|2,0,1]=4 136 B14R2.5333 Cc1cccc(C)c1CN2CCC2 Amb28140972 [0,0,0,0,1,0|2,0,0]=3 137 B14R2.9066 Cc1cccc(C)c1C2=NCCN2 Amb24447542 [0,0,0,0,1,0|0,0,0]=1 138 B14R2.9066 Cc1cccc(C)c1C2CCCN2 Amb3964096 [0,0,0,0,1,0|1,0,1]=3 139 B14R2.9066 Cc1cccc(C)c1C2NCCS2 Amb28363755 [0,0,0,0,1,0|1,0,1]=3 140 B14R2.9066 Cc1cccc(C)c1N2CCCC2 Amb18269339 [0,0,0,0,1,0|3,0,0]=4 141 B14R2.9066 Cc1cccc(C)c1[C@@H]2CCCN2 Amb27144099 [0,0,0,0,1,0|1,0,1]=3 142 B14R2.9066 Cc1cccc(C)c1[C@H]2CCCN2 Amb25737775 [0,0,0,0,1,0|1,0,1]=3 143 B14R2.9066 Cc1cccc(Cl)c1C2CCCN2 Amb24562239 [0,0,0,0,1,0|2,0,1]=4 144 B14R2.9066 Cc1cccc(Cl)c1[C@@H]2CCCN2 Amb27626022 [0,0,0,0,1,0|2,0,1]=4 145 B14R2.9066 Cc1cccc(F)c1C2CCCN2 Amb27184576 [0,0,0,0,1,0|2,0,1]=4 146 B14R2.9066 Cc1cccc(F)c1[C@@H]2CCCN2 Amb28316330 [0,0,0,0,1,0|2,0,1]=4 147 B14R2.9066 Cc1cccc(F)c1[C@H]2CCCN2 Amb28346875 [0,0,0,0,1,0|2,0,1]=4 148 B14R2.9066 Cc1cccc(N)c1C2=NCCN2 Amb27881250 [0,0,0,0,1,0|1,0,0]=2 149 B14R2.9066 Cc1cccc(O)c1[C@H]2CCCN2 Amb27754178 [0,0,0,0,1,0|2,0,1]=4 150 B14R2.9066 Fc1cccc(Cl)c1C2=NCCN2 Amb18066483 [0,0,0,0,1,0|2,0,0]=3 151 B16R2.3259 Cc1cccc(C)c1CC2CCCNC2 Amb32954048 [0,0,0,0,0,1|1,0,1]=3 152 B16R2.3259 Cc1cccc(C)c1CC2CCNCC2 Amb32653366 [0,0,0,0,0,1|2,0,1]=4 153 B16R2.3259 Cc1cccc(C)c1CC2CCNCC2 Amb32663192 [0,0,0,0,0,1|2,0,1]=4 154 B16R2.3259 Cc1cccc(C)c1CN2CCNCC2 Amb3788799 [0,0,0,0,0,1|3,0,0]=4 155 B16R2.3259 Cc1cccc(C)c1NC2=NCCCS2 Amb1104047 [0,0,0,0,0,1|2,0,0]=3 156 B16R2.3259 Cc1cccc(C)c1NC2=NCCCS2 Amb8628687 [0,0,0,0,0,1|2,0,0]=3 157 B16R2.3259 Cc1cccc(C)c1NC2CCCNC2 Amb31116840 [0,0,0,0,0,1|2,0,1]=4 158 B16R2.3259 Cc1cccc(C)c1OC2CCCNC2 Amb32726845 [0,0,0,0,0,1|2,0,1]=4 159 B16R2.3259 Cc1cccc(Cl)c1CC2CCCNC2 Amb33259451 [0,0,0,0,0,1|2,0,1]=4 160 B16R2.3259 Cc1cccc(F)c1CC2CCCNC2 Amb33172590 [0,0,0,0,0,1|2,0,1]=4 161 B16R2.25778 Cc1cccc(C)c1NCC2CCCC2 Amb17237843 [0,0,0,0,0,1|2,0,1]=4 162 B16R2.25778 Cc1cccc(C)c1NCC2CCCN2 Amb17238237 [0,0,0,0,0,1|1,0,1]=3 163 B16R2.25778 Cc1cccc(C)c1NCc2nccs2 Amb17341169 [0,0,0,0,0,1|1,0,2]=4 164 B16R2.25778 Cc1cccc(C)c1OCC2=NCCN2 Amb17075375 [0,0,0,0,0,1|0,0,0]=1 165 B16R2.25778 Cc1cccc(C)c1OCC2OCCO2 Amb17239800 [0,0,0,0,0,1|2,0,1]=4 166 B16R2.25778 Cc1cccc(C)c1OC[C@@H]2CCCN2 Amb17051830 [0,0,0,0,0,1|1,0,1]=3 167 B16R2.25778 Clc1cccc(Cl)c1OCC2=NCCN2 Amb17075406 [0,0,0,0,0,1|2,0,0]=3 168 B16R2.25778 Fc1cccc(Cl)c1CCC2=NCCN2 Amb18571499 [0,0,0,0,0,1|2,0,0]=3 169 B16R2.25778 Fc1cccc(Cl)c1CSC2=NCCN2 Amb131809 [0,0,0,0,0,1|2,0,0]=3 170 B16R2.25778 Fc1cccc(Cl)c1CSC2=NCCN2 Amb5825535 [0,0,0,0,0,1|2,0,0]=3 171 B16R2.25778 Nc1cccc(F)c1OCC2=NCCN2 Amb32655207 [0,0,0,0,0,1|2,0,0]=3 172 B13R1.335 CN\C(Cc1ccccc1Br)=N\N Amb29860598 [1,0,1,0,0,0|2,0,0]=4 173 B13R1.335 C\N=C(\NC)Nc1ccccc1Br Amb27860488 [1,0,1,0,0,0|2,0,0]=4 174 B13R1.335 C\N=C(\NC)Nc1ccccc1C Amb27623930 [1,0,1,0,0,0|1,0,0]=3 175 B13R1.335 C\N=C(\NC)Nc1ccccc1I Amb27266157 [1,0,1,0,0,0|2,0,0]=4 176 B13R1.4928 CCC(=N)Nc1c(C)cccc1Br Amb35725837 [1,0,1,0,0,0|2,0,0]=4 177 B13R1.4928 CCC(=N)Nc1c(C)cccc1Cl Amb27180620 [1,0,1,0,0,0|2,0,0]=4 178 B13R1.4928 CCC(=N)Nc1c(C)ccnc1C Amb27415371 [1,0,1,0,0,0|2,0,0]=4 179 B13R1.4928 CCC(=O)Cc1c(C)cccc1C Amb27162955 [1,0,1,0,0,0|1,0,0]=3 180 B13R1.4928 CCC(=O)Oc1c(C)cccc1C Amb3098420 [1,0,1,0,0,0|2,0,0]=4 181 B13R1.4928 CCN(C)Cc1c(C)cccc1C Amb27456060 [1,0,1,0,0,0|2,0,0]=4 182 B13R1.4928 CCS(=O)Cc1c(C)cccc1C Amb28284028 [1,0,1,0,0,0|2,0,0]=4 183 B13R1.4928 CNC(=N)Cc1c(F)cccc1Cl Amb27405436 [1,0,1,0,0,0|2,0,0]=4 184 B13R1.4928 CNC(=N)Nc1c(C)cccc1Br Amb35721161 [1,0,1,0,0,0|2,0,0]=4 185 B13R1.4928 CNC(=O)Nc1c(C)cccc1C Amb4018463 [1,0,1,0,0,0|2,0,0]=4 186 B13R1.4928 CNC(=O)Oc1c(C)cccc1C Amb27803807 [1,0,1,0,0,0|2,0,0]=4 187 B13R1.4928 CNC(=S)Sc1c(C)cccc1C Amb28120105 [1,0,1,0,0,0|2,0,0]=4 188 B13R1.4928 COC(=O)Cc1c(C)cccc1C Amb25974113 [1,0,1,0,0,0|2,0,0]=4 189 B13R1.4928 CSC(=N)Nc1c(C)cccc1C Amb33307140 [1,0,1,0,0,0|2,0,0]=4 190 B13R1.4928 C\C(Cc1c(C)cccc1C)=N/O Amb27259092 [1,0,1,0,0,0|1,0,0]=3 191 B13R1.4928 C\C(Cc1c(C)cccc1C)=N\O Amb27444794 [1,0,1,0,0,0|1,0,0]=3 192 B13R1.4928 C\C=C(\C)Nc1c(C)cccc1C Amb27652866 [1,0,1,0,0,0|2,0,0]=4 193 B13R1.4928 Cc1cccc(C)c1CC(=O)CBr Amb24615943 [1,0,1,0,0,0|2,0,0]=4 194 B13R1.4928 Cc1cccc(C)c1CC(C)NN Amb27198875 [1,0,1,0,0,0|1,0,1]=4 195 B13R1.4928 Cc1cccc(C)c1CC(N)CO Amb27811842 [1,0,1,0,0,0|1,0,1]=4 196 B13R1.4928 Cc1cccc(C)c1C\C(N)=N\O Amb8384638 [1,0,1,0,0,0|1,0,0]=3 197 B13R1.4928 Cc1cccc(C)c1NC(=N)NN Amb2780971 [1,0,1,0,0,0|2,0,0]=4 198 B13R1.4928 Cc1cccc(C)c1N\C(N)=N\O Amb18809203 [1,0,1,0,0,0|2,0,0]=4 199 B13R1.470 CCCC(=O)Cc1ccccc1C Amb17138794 [1,0,1,0,0,0|2,0,0]=4 200 B13R1.470 CCNC(=N)Nc1ccccc1C Amb18804674 [1,0,1,0,0,0|1,0,0]=3 201 B13R1.470 CCNC(=N)Nc1cccnc1C Amb27644279 [1,0,1,0,0,0|2,0,0]=4 202 B13R1.470 CCNC(=O)Cc1ccccc1Br Amb22230625 [1,0,1,0,0,0|2,0,0]=4 203 B13R1.470 CCNC(=O)Cc1ccccc1Cl Amb23014083 [1,0,1,0,0,0|2,0,0]=4 204 B13R1.470 CCNC(=O)Cc1ccccc1F Amb8341226 [1,0,1,0,0,0|2,0,0]=4 205 B13R1.470 CCNC(=O)Cc1ccccc1N Amb1121104 [1,0,1,0,0,0|2,0,0]=4 206 B13R1.470 CCNC(=O)Cc1cccnc1C Amb28187883 [1,0,1,0,0,0|2,0,0]=4 207 B13R1.470 CCNC(=O)Nc1ccccc1C Amb2236972 [1,0,1,0,0,0|2,0,0]=4 208 B13R1.470 CCNC(=O)Oc1ccccc1C Amb24490439 [1,0,1,0,0,0|2,0,0]=4 209 B13R1.470 CCNC(=S)Nc1ccccc1C Amb6370100 [1,0,1,0,0,0|2,0,0]=4 210 B13R1.470 CCNC(=S)Sc1ccccc1C Amb28208427 [1,0,1,0,0,0|2,0,0]=4 211 B13R1.470 CCOC(=N)Cc1ccccc1C Amb20673147 [1,0,1,0,0,0|1,0,0]=3 212 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb19083262 [1,0,1,0,0,0|2,0,0]=4 213 B13R1.470 CCOC(=N)Cc1ccccc1Cl Amb20673156 [1,0,1,0,0,0|2,0,0]=4 214 B13R1.470 CCOC(=N)Cc1ccccc1F Amb20673150 [1,0,1,0,0,0|2,0,0]=4 215 B13R1.470 CCOC(=O)Cc1ccccc1C Amb3940131 [1,0,1,0,0,0|2,0,0]=4 216 B13R1.470 CONC(=O)Cc1ccccc1C Amb10694421 [1,0,1,0,0,0|2,0,0]=4 217 B13R1.470 CO\N=C(\N)Cc1ccccc1Cl Amb28344836 [1,0,1,0,0,0|2,0,0]=4 218 B13R1.8919 CCCNCc1c(C)cccc1C Amb33442119 [1,0,1,0,0,0|1,0,0]=3 219 B13R1.8919 CCO\N=C\c1c(C)cccc1C Amb28127487 [1,0,1,0,0,0|2,0,0]=4 220 B13R1.8919 Cc1cccc(C)c1CCCCN Amb18195749 [1,0,1,0,0,0|0,0,1]=3 221 B13R1.8919 Cc1cccc(C)c1CNCCO Amb33442121 [1,0,1,0,0,0|1,0,0]=3 222 B13R1.8919 Cc1cccc(C)c1NCCCN Amb18648174 [1,0,1,0,0,0|1,0,1]=4 223 B13R1.8919 Cc1cccc(C)c1OCCCN Amb10610168 [1,0,1,0,0,0|1,0,1]=4 224 B13R1.8919 Cc1cccc(C)c1OCCCN Amb1137541 [1,0,1,0,0,0|1,0,1]=4 225 B13R1.8919 Cc1cccc(Cl)c1CCCCN Amb33259763 [1,0,1,0,0,0|1,0,1]=4 226 B13R1.8919 Cc1cccc(F)c1CCCCN Amb33148582 [1,0,1,0,0,0|1,0,1]=4 227 B13R1.555 Cc1ccccc1CCNCCN Amb31094268 [1,0,1,0,0,0|0,0,2]=4 228 B13R1.555 Cc1ccccc1CCNCCO Amb17400737 [1,0,1,0,0,0|1,0,1]=4 229 B13R1.555 Cc1ccccc1CNCCCN Amb10075556 [1,0,1,0,0,0|2,0,0]=4 230 B13R1.555 Cc1ccccc1CSCCCN Amb10608340 [1,0,1,0,0,0|2,0,0]=4 231 B13R2.64 C(=C1/CCCN1)/c2ccccc2 Amb27814288 [2,0,0,0,0,0|1,0,1]=4 232 B13R2.64 C1=C(Cc2ccccc2)NCC1 Amb17938862 [2,0,0,0,0,0|1,0,0]=3 233 B13R2.64 c1ccc(CC2=NCCC2)cc1 Amb24053775 [2,0,0,0,0,0|1,0,0]=3 234 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb6334870 [2,0,0,0,0,0|0,0,0]=2 235 B13R2.64 c1ccc(CC2=NCCN2)cc1 Amb749611 [2,0,0,0,0,0|0,0,0]=2 236 B13R2.64 c1ccc(CC2=NCCN2)nc1 Amb27794467 [2,0,0,0,0,0|1,0,0]=3 237 B13R2.64 c1ccc(CC2=NCCO2)cc1 Amb2429421 [2,0,0,0,0,0|1,0,0]=3 238 B13R2.64 c1ccc(CC2=NCCS2)cc1 Amb28369846 [2,0,0,0,0,0|1,0,0]=3 239 B13R2.64 c1ccc(CC2CCCN2)cc1 Amb17659145 [2,0,0,0,0,0|1,0,1]=4 240 B13R2.64 c1ccc(CC2NCCO2)cc1 Amb17506176 [2,0,0,0,0,0|1,0,1]=4 241 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb19883945 [2,0,0,0,0,0|1,0,1]=4 242 B13R2.64 c1ccc(C[C@@H]2CCCN2)cc1 Amb30586559 [2,0,0,0,0,0|1,0,1]=4 243 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb27160705 [2,0,0,0,0,0|1,0,1]=4 244 B13R2.64 c1ccc(C[C@H]2CCCN2)cc1 Amb33877453 [2,0,0,0,0,0|1,0,1]=4 245 B13R2.64 c1ccc(NC2=NCCC2)cc1 Amb1286041 [2,0,0,0,0,0|2,0,0]=4 246 B13R2.64 c1ccc(NC2=NCCN2)nc1 Amb27667879 [2,0,0,0,0,0|2,0,0]=4 247 B13R2.64 c1ccc(NC2=NCCO2)cc1 Amb25929780 [2,0,0,0,0,0|2,0,0]=4 248 B13R2.64 c1ccc(NC2=NCCS2)cc1 Amb6599638 [2,0,0,0,0,0|2,0,0]=4 249 B13R2.64 c1ccc(SC2=NCCN2)cc1 Amb27975177 [2,0,0,0,0,0|1,0,0]=3 250 B13R2.64 c1cncc(CC2=NCCN2)c1 Amb22527135 [2,0,0,0,0,0|1,0,0]=3 251 B15R1.37637 CCOC(=O)Cc1c(C)cc(C)cc1C Amb6357776 [0,1,1,0,0,0|2,0,0]=4 252 B15R1.37637 CCOC(=O)Cc1c(C)cc(N)cc1C Amb33496024 [0,1,1,0,0,0|2,0,0]=4 253 B15R1.45718 CCNCC(=O)Nc1c(C)cccc1C Amb2414654 [0,1,1,0,0,0|2,0,0]=4 254 B15R1.45718 Cc1cccc(C)c1NC(=O)NCCN Amb17239376 [0,1,1,0,0,0|2,0,0]=4 255 B15R1.45718 Cc1cccc(C)c1NC(=S)NCCO Amb2762648 [0,1,1,0,0,0|2,0,0]=4 256 B15R1.45718 Cc1cccc(C)c1OC(=O)NCCN Amb18568450 [0,1,1,0,0,0|2,0,0]=4 257 B15R1.51699 CCOC(=O)C(N)c1c(C)cccc1C Amb3903914 [0,1,1,0,0,0|2,0,0]=4 258 B15R1.40620 Cc1cc(C)c(CCCCCN)c(C)c1 Amb17194927 [0,1,1,0,0,0|1,0,1]=4 259 B15R1.40620 Cc1cc(C)c(COCCCN)c(C)c1 Amb17471293 [0,1,1,0,0,0|2,0,0]=4 260 B15R1.40620 Cc1cc(C)c(\C=C\CCCN)c(C)c1 Amb18566829 [0,1,1,0,0,0|1,0,1]=4 261 B15R1.44685 CCCNCCOc1c(C)cccc1C Amb7761200 [0,1,1,0,0,0|1,0,1]=4 262 B15R1.44685 Cc1cccc(C)c1OCCNCCN Amb18104647 [0,1,1,0,0,0|0,0,2]=4 263 B15R2.123 CCc1ccccc1CC2CCCN2 Amb25681970 [1,1,0,0,0,0|1,0,1]=4 264 B15R2.123 CCc1ccccc1NC2=NCCN2 Amb26855801 [1,1,0,0,0,0|1,0,0]=3 265 B15R2.123 COc1ccccc1CC2=NCCN2 Amb18564750 [1,1,0,0,0,0|0,0,0]=2 266 B15R2.123 COc1ccccc1CC2CCCN2 Amb3788464 [1,1,0,0,0,0|1,0,1]=4 267 B15R2.123 COc1ccccc1CN2CCCN2 Amb27874434 [1,1,0,0,0,0|2,0,0]=4 268 B15R2.123 COc1ccccc1NC2=NCCS2 Amb1103973 [1,1,0,0,0,0|2,0,0]=4 269 B15R2.123 CSc1ccccc1CC2CCCN2 Amb33266274 [1,1,0,0,0,0|1,0,1]=4 270 B15R2.123 FCc1ccccc1CC2CCCN2 Amb27481776 [1,1,0,0,0,0|1,0,1]=4 271 B15R2.123 N#Cc1ccccc1NC2=NCCN2 Amb28365096 [1,1,0,0,0,0|1,0,1]=4 272 B15R2.123 OCc1ccccc1CC2CCCN2 Amb28434792 [1,1,0,0,0,0|1,0,1]=4 273 B15R2.305 Cc1ccccc1CC2=CC(N)CC2 Amb27948815 [1,1,0,0,0,0|2,0,0]=4 274 B15R2.305 Cc1ccccc1CC2=NNC(=O)N2 Amb27460993 [1,1,0,0,0,0|1,0,1]=4 275 B15R2.305 O=C1CN=C(Cc2ccccc2Cl)N1 Amb28398907 [1,1,0,0,0,0|1,0,1]=4 276 B15R2.358 CC(C1=NCCN1)c2ccccc2Cl Amb27949597 [1,1,0,0,0,0|1,0,0]=3 277 B15R2.358 CC(C1=NCCN1)c2ccccc2I Amb27222196 [1,1,0,0,0,0|1,0,0]=3 278 B15R2.358 Cc1ccccc1C(O)[C@@H]2CCCN2 Amb35664076 [1,1,0,0,0,0|1,0,1]=4 279 B15R2.358 Cc1ccccc1C(O)[C@H]2CCCN2 Amb29891708 [1,1,0,0,0,0|1,0,1]=4 280 B15R2.358 O=C(C1=NCCN1)c2ccccc2Cl Amb27401187 [1,1,0,0,0,0|1,0,1]=4 281 B15R2.359 CN1CCN=C1Nc2ccccc2Br Amb28422611 [1,1,0,0,0,0|2,0,0]=4 282 B15R2.359 CN1CCN=C1Nc2ccccc2F Amb27272660 [1,1,0,0,0,0|2,0,0]=4 283 B15R2.1109 Cc1c(Br)cccc1CC2CCCN2 Amb33389387 [1,1,0,0,0,0|1,0,1]=4 284 B15R2.1109 Cc1c(Br)cccc1NC2=NCCN2 Amb25691358 [1,1,0,0,0,0|1,0,0]=3 285 B15R2.1109 Cc1c(Cl)cccc1NC2=NCCN2 Amb26396533 [1,1,0,0,0,0|1,0,0]=3 286 B15R2.1109 Cc1c(Cl)cccc1NC2=NCCS2 Amb2262896 [1,1,0,0,0,0|2,0,0]=4 287 B15R2.1109 Cc1c(Cl)cncc1NC2=NCCN2 Amb35706891 [1,1,0,0,0,0|2,0,0]=4 288 B15R2.1109 Cc1c(F)cccc1CC2CCCN2 Amb33372766 [1,1,0,0,0,0|1,0,1]=4 289 B15R2.1109 Cc1c(F)cccc1NC2=NCCN2 Amb28191249 [1,1,0,0,0,0|1,0,0]=3 290 B15R2.1109 Cc1c(I)cccc1NC2=NCCC2 Amb27233237 [1,1,0,0,0,0|2,0,0]=4 291 B15R2.1109 Cc1c(N)cccc1N=C2NCCN2 Amb25060155 [1,1,0,0,0,0|1,0,1]=4 292 B15R2.1109 Cc1cccc(CC2=CCCC2)c1C Amb28142556 [1,1,0,0,0,0|2,0,0]=4 293 B15R2.1109 Cc1cccc(CC2CCCN2)c1C Amb17234816 [1,1,0,0,0,0|1,0,1]=4 294 B15R2.1109 Cc1cccc(NC2=NCCN2)c1F Amb27260924 [1,1,0,0,0,0|2,0,0]=4 295 B15R2.1109 Cc1cccc(NC2=NCCO2)c1C Amb27643623 [1,1,0,0,0,0|2,0,0]=4 296 B15R2.1109 Cc1cccc(NC2=NCCS2)c1C Amb7755222 [1,1,0,0,0,0|2,0,0]=4 297 B15R2.1109 Clc1c(Br)cccc1NC2=NCCN2 Amb35721557 [1,1,0,0,0,0|2,0,0]=4 298 B15R2.1109 Fc1c(Br)cccc1NC2=NCCN2 Amb35615187 [1,1,0,0,0,0|2,0,0]=4 299 B15R2.1109 Nc1c(Cl)cccc1NC2=NCCN2 Amb32670320 [1,1,0,0,0,0|2,0,0]=4 300 B15R2.1109 Nc1c(F)cccc1NC2=NCCN2 Amb32670186 [1,1,0,0,0,0|2,0,0]=4 301 B15R2.1109 Nc1cccc(NC2=NCCN2)c1Cl Amb32670322 [1,1,0,0,0,0|2,0,0]=4 302 B15R2.1154 Cc1cc(Br)ccc1CC2CCCN2 Amb26045374 [1,1,0,0,0,0|1,0,1]=4 303 B15R2.1154 Cc1cc(Br)ccc1NC2=NCCC2 Amb28137725 [1,1,0,0,0,0|2,0,0]=4 304 B15R2.1154 Cc1cc(Br)ccc1NC2=NCCN2 Amb26477497 [1,1,0,0,0,0|1,0,0]=3 305 B15R2.1154 Cc1cc(Cl)ccc1CC2CCCN2 Amb27642273 [1,1,0,0,0,0|1,0,1]=4 306 B15R2.1154 Cc1cc(Cl)ccc1NC2=NCCC2 Amb28251740 [1,1,0,0,0,0|2,0,0]=4 307 B15R2.1154 Cc1cc(Cl)ccc1NC2=NCCN2 Amb24089676 [1,1,0,0,0,0|1,0,0]=3 308 B15R2.1154 Cc1cc(Cl)ccc1\N=C2\NCCO2 Amb28241349 [1,1,0,0,0,0|2,0,0]=4 309 B15R2.1154 Cc1cc(Cl)cnc1NC2=NCCN2 Amb27848166 [1,1,0,0,0,0|2,0,0]=4 310 B15R2.1154 Cc1cc(F)ccc1CC2=CCCC2 Amb27222913 [1,1,0,0,0,0|2,0,0]=4 311 B15R2.1154 Cc1cc(F)ccc1CC2CCCN2 Amb27170826 [1,1,0,0,0,0|1,0,1]=4 312 B15R2.1154 Cc1cc(F)ccc1NC2=NCCC2 Amb27425475 [1,1,0,0,0,0|2,0,0]=4 313 B15R2.1154 Cc1cc(F)ccc1NC2=NCCN2 Amb28119236 [1,1,0,0,0,0|1,0,0]=3 314 B15R2.1154 Cc1cc(N)ccc1NC2=NCCN2 Amb28186423 [1,1,0,0,0,0|1,0,0]=3 315 B15R2.1154 Cc1ccc(CC2=NCCN2)c(C)c1 Amb18564543 [1,1,0,0,0,0|0,0,0]=2 316 B15R2.1154 Cc1ccc(CC2CCCN2)c(C)c1 Amb17234797 [1,1,0,0,0,0|1,0,1]=4 317 B15R2.1154 Cc1ccc(C[C@@H]2CCCN2)c(C)c1 Amb33191272 [1,1,0,0,0,0|1,0,1]=4 318 B15R2.1154 Cc1ccc(C[C@H]2CCCN2)c(C)c1 Amb33191265 [1,1,0,0,0,0|1,0,1]=4 319 B15R2.1154 Cc1ccc(NC2=NCCN2)c(Cl)c1 Amb24096485 [1,1,0,0,0,0|2,0,0]=4 320 B15R2.1154 Cc1ccc(NC2=NCCN2)c(Cl)c1 Amb33548911 [1,1,0,0,0,0|2,0,0]=4 321 B15R2.1154 Cc1ccc(NC2=NCCN2)c(N)c1 Amb32670295 [1,1,0,0,0,0|2,0,0]=4 322 B15R2.1154 Clc1cc(I)ccc1NC2=NCCN2 Amb27837184 [1,1,0,0,0,0|2,0,0]=4 323 B15R2.1154 Clc1ccc(CC2=NCCN2)c(Cl)c1 Amb18070428 [1,1,0,0,0,0|1,0,0]=3 324 B15R2.1154 Clc1ccc(NC2=NCCN2)c(I)c1 Amb27647447 [1,1,0,0,0,0|2,0,0]=4 325 B15R2.1154 Fc1cc(I)ccc1NC2=NCCN2 Amb35589489 [1,1,0,0,0,0|2,0,0]=4 326 B15R2.1154 Nc1cc(Br)ccc1NC2=NCCN2 Amb32670309 [1,1,0,0,0,0|2,0,0]=4 327 B15R2.1154 Nc1cc(Cl)ccc1NC2=NCCN2 Amb24336736 [1,1,0,0,0,0|2,0,0]=4 328 B15R2.1154 Nc1cc(I)ccc1NC2=NCCN2 Amb32670328 [1,1,0,0,0,0|2,0,0]=4 329 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Br)c1 Amb32670290 [1,1,0,0,0,0|2,0,0]=4 330 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Cl)c1 Amb26904600 [1,1,0,0,0,0|2,0,0]=4 331 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Cl)c1 Amb32668076 [1,1,0,0,0,0|2,0,0]=4 332 B15R2.1154 Nc1ccc(NC2=NCCN2)c(Cl)c1 Amb32668392 [1,1,0,0,0,0|2,0,0]=4 333 B15R2.1154 Nc1ccc(NC2=NCCN2)c(F)c1 Amb32670314 [1,1,0,0,0,0|2,0,0]=4 334 B15R2.1154 Nc1ccc(NC2=NCCN2)c(I)c1 Amb32670323 [1,1,0,0,0,0|2,0,0]=4 335 B15R2.1154 Nc1ccc(NC2=NCCN2)c(N)c1 Amb32670293 [1,1,0,0,0,0|2,0,0]=4 336 B15R2.7567 Brc1ccc(I)cc1NC2=NCCN2 Amb28044264 [1,1,0,0,0,0|2,0,0]=4 337 B15R2.7567 Cc1ccc(Br)cc1CC2CCCN2 Amb25675752 [1,1,0,0,0,0|1,0,1]=4 338 B15R2.7567 Cc1ccc(Br)cc1CN2CCCN2 Amb27866650 [1,1,0,0,0,0|2,0,0]=4 339 B15R2.7567 Cc1ccc(Br)cc1NC2=NCCN2 Amb26497127 [1,1,0,0,0,0|1,0,0]=3 340 B15R2.7567 Cc1ccc(C)c(CC2=CCCC2)c1 Amb27866808 [1,1,0,0,0,0|2,0,0]=4 341 B15R2.7567 Cc1ccc(C)c(CC2=NCCN2)c1 Amb18564542 [1,1,0,0,0,0|0,0,0]=2 342 B15R2.7567 Cc1ccc(C)c(CC2CCCN2)c1 Amb17991260 [1,1,0,0,0,0|1,0,1]=4 343 B15R2.7567 Cc1ccc(C)c(CC2CCCN2)c1 Amb5739760 [1,1,0,0,0,0|1,0,1]=4 344 B15R2.7567 Cc1ccc(C)c(C[C@@H]2CCCN2)c1 Amb33191270 [1,1,0,0,0,0|1,0,1]=4 345 B15R2.7567 Cc1ccc(C)c(C[C@H]2CCCN2)c1 Amb33191261 [1,1,0,0,0,0|1,0,1]=4 346 B15R2.7567 Cc1ccc(C)c(NC2=NCCC2)c1 Amb342805 [1,1,0,0,0,0|2,0,0]=4 347 B15R2.7567 Cc1ccc(C)c(NC2=NCCS2)c1 Amb1059601 [1,1,0,0,0,0|2,0,0]=4 348 B15R2.7567 Cc1ccc(Cl)c(NC2=NCCN2)c1 Amb27849020 [1,1,0,0,0,0|2,0,0]=4 349 B15R2.7567 Cc1ccc(Cl)cc1NC2=NCCC2 Amb3319447 [1,1,0,0,0,0|2,0,0]=4 350 B15R2.7567 Cc1ccc(Cl)cc1NC2=NCCN2 Amb24669132 [1,1,0,0,0,0|1,0,0]=3 351 B15R2.7567 Cc1ccc(F)c(CC2=NCCN2)c1 Amb27386977 [1,1,0,0,0,0|1,0,0]=3 352 B15R2.7567 Cc1ccc(F)cc1CC2CCCN2 Amb24394267 [1,1,0,0,0,0|1,0,1]=4 353 B15R2.7567 Cc1ccc(F)cc1CN2CCCN2 Amb27620774 [1,1,0,0,0,0|2,0,0]=4 354 B15R2.7567 Cc1ccc(F)cc1NC2=NCCN2 Amb24725470 [1,1,0,0,0,0|1,0,0]=3 355 B15R2.7567 Cc1ccc(I)cc1NC2=NCCC2 Amb27236474 [1,1,0,0,0,0|2,0,0]=4 356 B15R2.7567 Cc1ccc(N)c(NC2=NCCN2)c1 Amb32670313 [1,1,0,0,0,0|2,0,0]=4 357 B15R2.7567 Cc1ccc(N)cc1NC2=NCCN2 Amb28456123 [1,1,0,0,0,0|1,0,0]=3 358 B15R2.7567 Clc1ccc(Br)cc1NC2=NCCN2 Amb28191251 [1,1,0,0,0,0|2,0,0]=4 359 B15R2.7567 Clc1ccc(Cl)c(NC2=NCCN2)c1 Amb26021142 [1,1,0,0,0,0|2,0,0]=4 360 B15R2.7567 Clc1ccc(I)c(NC2=NCCN2)c1 Amb35706425 [1,1,0,0,0,0|2,0,0]=4 361 B15R2.7567 Fc1ccc(F)c(NC2=NCCN2)c1 Amb28396655 [1,1,0,0,0,0|2,0,0]=4 362 B15R2.7567 Nc1ccc(Br)c(NC2=NCCN2)c1 Amb32670306 [1,1,0,0,0,0|2,0,0]=4 363 B15R2.7567 Nc1ccc(Cl)c(NC2=NCCN2)c1 Amb24506898 [1,1,0,0,0,0|2,0,0]=4 364 B15R2.7567 Nc1ccc(Cl)cc1NC2=NCCN2 Amb32670298 [1,1,0,0,0,0|2,0,0]=4 365 B15R2.7567 Nc1ccc(F)c(NC2=NCCN2)c1 Amb32670296 [1,1,0,0,0,0|2,0,0]=4 366 B15R2.7567 Nc1ccc(F)cc1NC2=NCCN2 Amb32670221 [1,1,0,0,0,0|2,0,0]=4 367 B15R2.7567 Nc1ccc(N)c(NC2=NCCN2)c1 Amb32670294 [1,1,0,0,0,0|2,0,0]=4 368 B15R2.14892 Cc1ccccc1CC2(C)CCCN2 Amb27203925 [1,1,0,0,0,0|1,0,1]=4 369 B15R2.6945 Cc1ccc(C)n1NC2=NC(C)CN2 Amb27410146 [0,1,0,0,1,0|2,0,0]=4 370 B15R2.7084 Cc1sc(C)c(CC2=NCCN2)c1C Amb27653268 [0,1,0,0,1,0|1,0,0]=3 371 B15R2.4203 Cc1cc(C)c(CC2CCN2)c(C)c1 Amb33203140 [0,1,0,0,1,0|0,0,1]=3 372 B15R2.15368 Cc1cccc(C)c1C(N)C2CCC2 Amb28044834 [0,1,0,0,1,0|1,0,1]=4 373 B15R2.15368 Cc1cccc(C)c1[C@H](N)C2CCC2 Amb28041448 [0,1,0,0,1,0|1,0,1]=4 374 B15R2.15370 Cc1cccc(C)c1CC2CCC2N Amb27168019 [0,1,0,0,1,0|1,0,1]=4 375 B15R2.48035 Cc1cccc(C)c1CN2CC(N)C2 Amb27240788 [0,1,0,0,1,0|2,0,0]=4 376 B15R2.2493 COc1cccc(C)c1C2CCCN2 Amb27254057 [0,1,0,0,1,0|1,0,1]=4 377 B15R2.2493 Cc1cccc(CO)c1[C@H]2CCCN2 Amb27171330 [0,1,0,0,1,0|1,0,1]=4 378 B15R2.4201 CC1=CC(C)=C(C2=NCCN2)C(=O)N1 Amb35675531 [0,1,0,0,1,0|2,0,0]=4 379 B15R2.4201 Cc1cc(C)c(C2CCCN2)c(C)c1 Amb3788437 [0,1,0,0,1,0|1,0,1]=4 380 B15R2.4201 Fc1cc(F)c(C2=NCCN2)c(F)c1 Amb27403059 [0,1,0,0,1,0|2,0,0]=4 381 B15R2.6956 Cc1cccc(C)c1C2CC(O)CN2 Amb28183742 [0,1,0,0,1,0|1,0,1]=4 382 B15R2.6956 Cc1cccc(C)c1C2NCC(C)S2 Amb28365204 [0,1,0,0,1,0|1,0,1]=4 383 B15R2.7647 Cc1cccc(C)c1C2NCCC2C Amb27808472 [0,1,0,0,1,0|1,0,1]=4 384 B15R2.15647 Cc1ccc(F)c(C)c1C2CCCN2 Amb27237694 [0,1,0,0,1,0|1,0,1]=4 385 B17R2.1791 CCc1cccc(C)c1NC2=NCCCS2 Amb9212134 [0,1,0,0,0,1|2,0,0]=4 386 B17R2.1791 COc1cccc(C)c1CC2CCCNC2 Amb33447309 [0,1,0,0,0,1|1,0,1]=4 387 B17R2.2360 Cc1cc(C)c(CC2CCCCN2)c(C)c1 Amb17242923 [0,1,0,0,0,1|1,0,1]=4 388 B17R2.2360 Cc1cc(C)c(CC2CCCNC2)c(C)c1 Amb17195271 [0,1,0,0,0,1|1,0,1]=4 389 B17R2.2360 Cc1cc(C)c(CC2CNCCO2)c(C)c1 Amb31181312 [0,1,0,0,0,1|1,0,1]=4 390 B17R2.2360 Cc1cc(C)c(CC2COCCN2)c(C)c1 Amb18067709 [0,1,0,0,0,1|1,0,1]=4 391 B17R2.2360 Cc1cc(C)c(CC2CSCCN2)c(C)c1 Amb18575758 [0,1,0,0,0,1|1,0,1]=4 392 B17R2.2360 Cc1cc(C)c(NC2=NCCCS2)c(C)c1 Amb8440247 [0,1,0,0,0,1|2,0,0]=4 393 B17R2.774543 Cc1cccc(C)c1CC2(O)CCCNC2 Amb33474231 [0,1,0,0,0,1|1,0,1]=4 394 B17R2.41794 CC(Oc1c(Cl)cccc1Cl)C2=NCCN2 Amb8393109 [0,1,0,0,0,1|2,0,0]=4 395 B17R2.41794 CC(Oc1c(Cl)cccc1Cl)C2=NCCN2 Amb8628545 [0,1,0,0,0,1|2,0,0]=4 396 B17R2.71328 CCc1cccc(C)c1NCC2CCCN2 Amb17243441 [0,1,0,0,0,1|1,0,1]=4 397 B17R2.83661 Cc1cc(C)c(CCC2CCCN2)c(C)c1 Amb17242922 [0,1,0,0,0,1|1,0,1]=4 398 B17R2.83661 Cc1cc(C)c(NCC2CCCN2)c(C)c1 Amb17243444 [0,1,0,0,0,1|1,0,1]=4 399 B17R2.83661 Cc1cc(C)c(OCC2=NCCN2)c(C)c1 Amb17075383 [0,1,0,0,0,1|0,0,0]=2 400 B17R2.83661 Cc1cc(C)c(OC[C@@H]2CCCN2)c(C)c1 Amb17243939 [0,1,0,0,0,1|1,0,1]=4 401 B17R2.83661 Cc1cc(C)c(SCC2CCCN2)c(C)c1 Amb18071038 [0,1,0,0,0,1|1,0,1]=4 402 B17R2.146246 Cc1cccc(C)c1OCC2=NNC(=S)N2 Amb18633088 [0,1,0,0,0,1|1,0,1]=4 403 B17R2.276976 Cc1ccc(C)c(OCC2=NCCN2)c1C Amb17075381 [0,1,0,0,0,1|0,0,0]=2 404 B17R2.276976 Cc1ccc(C)c(OC[C@@H]2CCCN2)c1C Amb17051848 [0,1,0,0,0,1|1,0,1]=4 405 B17R2.5412 COc1cc(C)cc(C)c1CC2CCCN2 Amb18245319 [0,2,0,0,0,0|1,0,1]=4 406 B17R2.6091 COc1cc(C)c(CC2CCCN2)c(C)c1 Amb18105952 [0,2,0,0,0,0|1,0,1]=4 407 B17R2.41744 Cc1cccc(C)c1NC2=NC(C)(C)CS2 Amb1104046 [0,2,0,0,0,0|2,0,0]=4 408 B17R2.41744 Cc1cccc(C)c1\N=C2\NC(C)(C)CS2 Amb2756815 [0,2,0,0,0,0|2,0,0]=4 409 B17R2.64751 Cc1cccc(C)c1CC2NCCC2CN Amb18168952 [0,2,0,0,0,0|1,0,1]=4 410 B17R2.8976 Cc1cc(C)c(C)c(CC2CCCN2)c1C Amb17404898 [0,2,0,0,0,0|1,0,1]=4 411 B17R2.71190 COc1cccc(OC)c1CC2CCCN2 Amb33358982 [0,2,0,0,0,0|1,0,1]=4 412 B15R2.1117 Cc1cccc(CCC2=NCCN2)c1 Amb18564537 [0,0,1,1,0,0|0,0,2]=4 413 B15R2.1117 Cc1cccc(OCC2=NCCN2)c1 Amb17075351 [0,0,1,1,0,0|1,0,1]=4 414 B15R2.1117 Cc1cccc(SCC2=NCCN2)c1 Amb27968330 [0,0,1,1,0,0|1,0,1]=4 415 B15R2.32838 CNC1(Cc2c(C)cccc2C)CC1 Amb32725488 [0,0,1,1,0,0|1,0,1]=4 416 B15R2.541 Cc1cccc(C)c1C2CCCCN2 Amb3964234 [0,0,1,1,0,0|1,0,1]=4 417 B15R2.541 Cc1cccc(C)c1C2CCCNC2 Amb27957127 [0,0,1,1,0,0|1,0,1]=4 418 B15R2.541 Cc1cccc(C)c1C2CNCCN2 Amb27387819 [0,0,1,1,0,0|0,0,2]=4 419 B15R2.541 Cc1cccc(C)c1C2CNCCO2 Amb26346323 [0,0,1,1,0,0|1,0,1]=4 420 B15R2.541 Cc1cccc(C)c1C2COCCN2 Amb24550463 [0,0,1,1,0,0|1,0,1]=4 421 B15R2.541 Cc1cccc(C)c1[C@@H]2CNCCN2 Amb27226133 [0,0,1,1,0,0|0,0,2]=4 422 B15R2.541 Cc1cccc(C)c1[C@H]2CNCCN2 Amb27593395 [0,0,1,1,0,0|0,0,2]=4 423 B15R2.541 Cc1cccc(C)c1[C@H]2COCCN2 Amb27195623 [0,0,1,1,0,0|1,0,1]=4 424 B15R2.54379 Cc1cccc2c1CCC(CCN)C2 Amb18819901 [0,0,1,1,0,0|1,0,1]=4 425 B15R2.54379 Cc1cccc2c1CCN(CCN)C2 Amb27664935 [0,0,1,1,0,0|0,0,2]=4 426 B15R3.1701 c1ccc2c(c1)CC2C3=NCCN3 Amb27636401 [1,0,0,1,0,0|0,0,0]=2 427 B15R3.4266 c1ccc2c(c1)CC3CCCN3C2 Amb27249536 [1,0,0,1,0,0|1,0,1]=4 428 B15R3.4266 c1ccc2c(c1)CC3NCCN3C2 Amb27415824 [1,0,0,1,0,0|0,0,2]=4 429 B15R3.4266 c1ccc2c(c1)CN3CCCC3=N2 Amb17760619 [1,0,0,1,0,0|2,0,0]=4 430 B15R3.4266 c1ccc2c(c1)CN3CCCC3=N2 Amb30588216 [1,0,0,1,0,0|2,0,0]=4 431 B15R3.4266 c1ccc2c(c1)CN3CCCC3=N2 Amb533489 [1,0,0,1,0,0|2,0,0]=4 432 B15R3.4266 c1ccc2c(c1)CN3CCNC3=N2 Amb25142439 [1,0,0,1,0,0|1,0,1]=4 433 B15R3.4266 c1ccc2c(c1)CN3CCNC3=N2 Amb32952889 [1,0,0,1,0,0|1,0,1]=4 434 B15R3.257161 c1ccc2c(c1)CC3(CCCN3)C2 Amb24697572 [1,0,0,1,0,0|1,0,1]=4 435 B17R3.4464 Clc1cccc2c1CN(C3=NCCN3)C2 Amb22499525 [0,0,0,1,0,1|1,0,0]=3 436 B13R1.8528 CN\C(=N\N)c1c(C)cccc1Br Amb27405544 [0,0,1,0,1,0|2,0,0]=4 437 B13R1.8528 CN\C(=N\N)c1c(C)cccc1C Amb28317491 [0,0,1,0,1,0|1,0,0]=3 438 B13R1.4453 CCC[C@@H](N)c1c(C)cccc1C Amb28250048 [0,0,1,0,1,0|1,0,1]=4 439 B13R1.4453 CCC[C@H](N)c1c(C)cccc1C Amb27597953 [0,0,1,0,1,0|1,0,1]=4 440 B13R1.4453 CCNC(=O)c1c(C)cccc1N Amb1131711 [0,0,1,0,1,0|2,0,0]=4 441 B13R1.4453 CCNC(=O)c1c(C)cncc1C Amb27827178 [0,0,1,0,1,0|2,0,0]=4 442 B13R1.4453 CCNC(C)c1c(C)cccc1C Amb28317206 [0,0,1,0,1,0|1,0,1]=4 443 B13R1.4453 CCOC(=O)c1c(C)cccc1C Amb6357768 [0,0,1,0,1,0|2,0,0]=4 444 B13R1.4453 Cc1cccc(C)c1C(=O)NCO Amb28292667 [0,0,1,0,1,0|2,0,0]=4 445 B13R2.18 Brc1ccccc1C2=NCCN2 Amb18069920 [1,0,0,0,1,0|1,0,0]=3 446 B13R2.18 Brc1ccccc1C2=NCCO2 Amb18063906 [1,0,0,0,1,0|2,0,0]=4 447 B13R2.18 Brc1cccnc1C2=NCCN2 Amb28401363 [1,0,0,0,1,0|2,0,0]=4 448 B13R2.18 Cc1ccccc1C2=NCCC2 Amb26420612 [1,0,0,0,1,0|1,0,0]=3 449 B13R2.18 Cc1ccccc1C2=NCCN2 Amb18563497 [1,0,0,0,1,0|0,0,0]=2 450 B13R2.18 Cc1ccccc1C2=NNCC2 Amb25697316 [1,0,0,0,1,0|2,0,0]=4 451 B13R2.18 Cc1ccccc1C2CCCN2 Amb20668068 [1,0,0,0,1,0|1,0,1]=4 452 B13R2.18 Cc1ccccc1C2CCCN2 Amb9715198 [1,0,0,0,1,0|1,0,1]=4 453 B13R2.18 Cc1ccccc1C2NCCN2 Amb27190858 [1,0,0,0,1,0|0,0,2]=4 454 B13R2.18 Cc1ccccc1C2NCCO2 Amb17334581 [1,0,0,0,1,0|1,0,1]=4 455 B13R2.18 Cc1ccccc1[C@@H]2CCCN2 Amb24117100 [1,0,0,0,1,0|1,0,1]=4 456 B13R2.18 Cc1ccccc1[C@H]2CCCN2 Amb24714734 [1,0,0,0,1,0|1,0,1]=4 457 B13R2.18 Cc1cnccc1C2=NCCC2 Amb23578182 [1,0,0,0,1,0|2,0,0]=4 458 B13R2.18 Cc1ncccc1C2=NCCC2 Amb15692885 [1,0,0,0,1,0|2,0,0]=4 459 B13R2.18 Clc1ccccc1C2=NCCC2 Amb22285378 [1,0,0,0,1,0|2,0,0]=4 460 B13R2.18 Clc1ccccc1C2=NCCN2 Amb8487312 [1,0,0,0,1,0|1,0,0]=3 461 B13R2.18 Clc1ccccc1C2=NCCS2 Amb10573095 [1,0,0,0,1,0|2,0,0]=4 462 B13R2.18 Fc1ccccc1C2=NCCC2 Amb28137768 [1,0,0,0,1,0|2,0,0]=4 463 B13R2.18 Fc1ccccc1C2=NCCN2 Amb17578183 [1,0,0,0,1,0|1,0,0]=3 464 B13R2.18 Fc1ccccc1C2=NCCO2 Amb27780524 [1,0,0,0,1,0|2,0,0]=4 465 B13R2.18 Ic1ccccc1C2=NCCC2 Amb28435190 [1,0,0,0,1,0|2,0,0]=4 466 B13R2.18 Nc1ccccc1C2=NCCN2 Amb6739917 [1,0,0,0,1,0|1,0,0]=3 467 B13R2.18 Nc1ccccc1C2=NCCO2 Amb18063926 [1,0,0,0,1,0|2,0,0]=4 468 B13R2.18 O=C1NC=CC=C1C2=NCCN2 Amb35675545 [1,0,0,0,1,0|2,0,0]=4 469 B13R2.18 Oc1ccccc1C2=NCCN2 Amb4027022 [1,0,0,0,1,0|1,0,0]=3 470 B13R2.18 Oc1ccccc1C2=NCCO2 Amb18645804 [1,0,0,0,1,0|2,0,0]=4 471 B13R2.18 Sc1ccccc1C2=CCCN2 Amb22363566 [1,0,0,0,1,0|2,0,0]=4 472 B13R2.18 Sc1ccccc1C2=NCCN2 Amb2425856 [1,0,0,0,1,0|1,0,0]=3 473 B13R2.5225 Cc1ccccc1CC2CCN2 Amb27864423 [1,0,0,0,1,0|0,0,1]=3 474 B13R2.5225 Fc1ccccc1CC2CCN2 Amb27491866 [1,0,0,0,1,0|1,0,1]=4 475 B13R2.402 Cc1cccc(C)c1CC2CO2 Amb32698716 [0,0,0,0,2,0|1,0,1]=4 476 B13R2.402 Cc1cccc(C)c1OC2CC2 Amb27614529 [0,0,0,0,2,0|1,0,1]=4 477 B13R2.3490 Cc1cccc(C)c1C2CCN2 Amb27173184 [0,0,0,0,2,0|0,0,1]=3 478 B13R2.3490 Cc1cccc(Cl)c1C2CCN2 Amb24436523 [0,0,0,0,2,0|1,0,1]=4 479 B13R2.3490 Cc1cccc(F)c1C2CCN2 Amb24504720 [0,0,0,0,2,0|1,0,1]=4 480 B13R2.3490 Cc1cccc(F)c1[C@@H]2CCN2 Amb28365716 [0,0,0,0,2,0|1,0,1]=4 481 B15R2.38 Cc1ccccc1CC2CCCCN2 Amb2234996 [1,0,0,0,0,1|1,0,1]=4 482 B15R2.38 Cc1ccccc1CC2CCCNC2 Amb1994073 [1,0,0,0,0,1|1,0,1]=4 483 B15R2.38 Cc1ccccc1CC2CNCCN2 Amb18564805 [1,0,0,0,0,1|0,0,2]=4 484 B15R2.38 Cc1ccccc1CC2CNCCO2 Amb18564922 [1,0,0,0,0,1|1,0,1]=4 485 B15R2.38 Cc1ccccc1CC2CNCCS2 Amb18568284 [1,0,0,0,0,1|1,0,1]=4 486 B15R2.38 Cc1ccccc1CC2COCCN2 Amb18564903 [1,0,0,0,0,1|1,0,1]=4 487 B15R2.38 Cc1ccccc1CC2CSCCN2 Amb18568280 [1,0,0,0,0,1|1,0,1]=4 488 B15R2.38 Cc1ccccc1NC2=NCCCS2 Amb1103914 [1,0,0,0,0,1|2,0,0]=4 489 B15R2.38 Cc1ccccc1\C=C2/CCCNC2 Amb31134939 [1,0,0,0,0,1|1,0,1]=4 490 B15R2.38 Cc1ccccc1\N=C2\CSCCN2 Amb25276527 [1,0,0,0,0,1|2,0,0]=4 491 B15R2.38 Clc1ccccc1CC2=NCCCN2 Amb27957840 [1,0,0,0,0,1|1,0,0]=3 492 B15R2.38 Clc1ccccc1NC2=NCCCN2 Amb28059532 [1,0,0,0,0,1|2,0,0]=4 493 B15R2.38 Clc1ncccc1CC2=NCCCN2 Amb27234703 [1,0,0,0,0,1|2,0,0]=4 494 B15R2.38 Fc1ccccc1CC2=NCCCN2 Amb28044526 [1,0,0,0,0,1|1,0,0]=3 495 B15R2.38 Nc1ccccc1NC2=NCCCN2 Amb27632355 [1,0,0,0,0,1|2,0,0]=4 496 B15R2.562 Brc1ccccc1CCC2=NCCN2 Amb18584296 [1,0,0,0,0,1|1,0,0]=3 497 B15R2.562 Brc1ccccc1CNC2=NCCC2 Amb27233229 [1,0,0,0,0,1|2,0,0]=4 498 B15R2.562 Brc1ccccc1CNC2=NCCO2 Amb28139564 [1,0,0,0,0,1|2,0,0]=4 499 B15R2.562 Brc1ccccc1CSC2=NCCN2 Amb186215 [1,0,0,0,0,1|1,0,0]=3 500 B15R2.562 Brc1ccccc1OCC2=NCCN2 Amb17075358 [1,0,0,0,0,1|1,0,0]=3 501 B15R2.562 Cc1ccccc1CCC2=NCCN2 Amb8496573 [1,0,0,0,0,1|0,0,0]=2 502 B15R2.562 Cc1ccccc1CCC2CCCN2 Amb17234787 [1,0,0,0,0,1|1,0,1]=4 503 B15R2.562 Cc1ccccc1CNC2=NCCC2 Amb27803487 [1,0,0,0,0,1|1,0,0]=3 504 B15R2.562 Cc1ccccc1CNC2=NCCO2 Amb27413667 [1,0,0,0,0,1|1,0,0]=3 505 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb1485630 [1,0,0,0,0,1|0,0,0]=2 506 B15R2.562 Cc1ccccc1CSC2=NCCN2 Amb17760664 [1,0,0,0,0,1|0,0,0]=2 507 B15R2.562 Cc1ccccc1NCC2CCCN2 Amb2237186 [1,0,0,0,0,1|1,0,1]=4 508 B15R2.562 Cc1ccccc1OCC2=NCCN2 Amb17075350 [1,0,0,0,0,1|0,0,0]=2 509 B15R2.562 Cc1ccccc1OCC2CCCN2 Amb26856138 [1,0,0,0,0,1|1,0,1]=4 510 B15R2.562 Cc1ccccc1OCC2CCCN2 Amb32686936 [1,0,0,0,0,1|1,0,1]=4 511 B15R2.562 Cc1ccccc1OC[C@@H]2CCCN2 Amb17051824 [1,0,0,0,0,1|1,0,1]=4 512 B15R2.562 Cc1ccccc1OC[C@H]2CCCN2 Amb28384109 [1,0,0,0,0,1|1,0,1]=4 513 B15R2.562 Cc1cccnc1CNC2=NCCC2 Amb27245468 [1,0,0,0,0,1|2,0,0]=4 514 B15R2.562 Cc1cccnc1CNC2=NCCN2 Amb27407514 [1,0,0,0,0,1|1,0,0]=3 515 B15R2.562 Cc1ccncc1CNC2=NCCC2 Amb28249197 [1,0,0,0,0,1|2,0,0]=4 516 B15R2.562 Cc1cnccc1CNC2=NCCS2 Amb28047639 [1,0,0,0,0,1|2,0,0]=4 517 B15R2.562 Cc1nccnc1CNC2=NCCN2 Amb35665464 [1,0,0,0,0,1|2,0,0]=4 518 B15R2.562 Clc1ccccc1CCC2=NCCC2 Amb25788977 [1,0,0,0,0,1|2,0,0]=4 519 B15R2.562 Clc1ccccc1CCC2=NCCN2 Amb8496574 [1,0,0,0,0,1|1,0,0]=3 520 B15R2.562 Clc1ccccc1CNC2=NCCO2 Amb27794610 [1,0,0,0,0,1|2,0,0]=4 521 B15R2.562 Clc1ccccc1CNC2=NCCS2 Amb7803949 [1,0,0,0,0,1|2,0,0]=4 522 B15R2.562 Clc1ccccc1CSC2=NCCN2 Amb5521557 [1,0,0,0,0,1|1,0,0]=3 523 B15R2.562 Clc1ccccc1CSC2=NCCN2 Amb9175084 [1,0,0,0,0,1|1,0,0]=3 524 B15R2.562 Clc1ccccc1OCC2=NCCN2 Amb17075355 [1,0,0,0,0,1|1,0,0]=3 525 B15R2.562 Clc1cnccc1CSC2=NCCN2 Amb27636979 [1,0,0,0,0,1|2,0,0]=4 526 B15R2.562 Clc1ncccc1CSC2=NCCN2 Amb27194954 [1,0,0,0,0,1|2,0,0]=4 527 B15R2.562 Fc1ccccc1CCC2=NCCN2 Amb18565096 [1,0,0,0,0,1|1,0,0]=3 528 B15R2.562 Fc1ccccc1CSC2=NCCN2 Amb6335158 [1,0,0,0,0,1|1,0,0]=3 529 B15R2.562 Fc1ccccc1CSC2=NCCN2 Amb6367843 [1,0,0,0,0,1|1,0,0]=3 530 B15R2.562 Fc1ccccc1C\N=C2\CCCN2 Amb4516602 [1,0,0,0,0,1|2,0,0]=4 531 B15R2.562 Fc1ccccc1OCC2=NCCN2 Amb17075353 [1,0,0,0,0,1|1,0,0]=3 532 B15R2.562 Fc1ccccc1SCC2=NCCN2 Amb27630302 [1,0,0,0,0,1|1,0,0]=3 533 B15R2.562 Nc1ccccc1CN=C2NCCN2 Amb27386755 [1,0,0,0,0,1|1,0,1]=4 534 B15R2.562 Nc1ccccc1OCC2=NCCN2 Amb27830939 [1,0,0,0,0,1|1,0,0]=3 535 B15R2.562 Nc1ccccc1\C=C\C2=NCCN2 Amb25901006 [1,0,0,0,0,1|1,0,1]=4 536 B15R2.562 Oc1ccccc1CCC2=NCCN2 Amb28346499 [1,0,0,0,0,1|1,0,0]=3 537 B15R2.562 Oc1ccccc1CNC2=NCCC2 Amb28453641 [1,0,0,0,0,1|2,0,0]=4 538 B15R2.7344 Cc1noc(C)c1CNC2=NCCN2 Amb27474162 [0,0,0,0,1,1|2,0,0]=4 539 B17R2.3933 Cc1cccc(C)c1NCC2CCCNC2 Amb17243452 [0,0,0,0,0,2|1,0,1]=4 540 B17R2.3933 Cc1cccc(C)c1OCC2CCCNC2 Amb6262697 [0,0,0,0,0,2|1,0,1]=4 541 B17R2.3933 Cc1cccc(C)c1OCC2CNCCO2 Amb5733291 [0,0,0,0,0,2|1,0,1]=4 542 B17R2.3933 Cc1cccc(C)c1OCC2COCCN2 Amb18570910 [0,0,0,0,0,2|1,0,1]=4 543 B17R2.3933 Cc1cccc(C)c1OCC2CSCCN2 Amb18576610 [0,0,0,0,0,2|1,0,1]=4 544 B17R2.3933 Fc1cccc(Cl)c1CSC2=NCCCN2 Amb31201832 [0,0,0,0,0,2|2,0,0]=4 545 B17R2.41802 Cc1cccc(C)c1OCCC2=NCCN2 Amb18570562 [0,0,0,0,0,2|0,0,0]=2 546 B17R2.41802 Cc1cccc(C)c1OCCC2CCCN2 Amb17405390 [0,0,0,0,0,2|1,0,1]=4 547 B17R2.41802 Clc1cccc(Cl)c1OCCC2=NCCN2 Amb18587525 [0,0,0,0,0,2|2,0,0]=4