0 B15R2.1259 BrC(Cc1cccs1)c2ccccc2 Amb27234315 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.1259 BrC(Cc1ccsc1)c2ccccc2 Amb27980873 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.1259 CC(CC1=NCCN1)c2ccccc2 Amb27239688 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.1259 CC(Cn1cccn1)c2ccccc2 Amb27455219 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.1259 CC(Cn1ccnc1)c2ccccn2 Amb30010168 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.1259 CC(Cn1ccnn1)c2ccccc2 Amb30010389 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.1259 CC(Cn1cncn1)c2ccccc2 Amb27444398 [0,0,0,0,0,0|2,0,1]=3 7 B15R2.1259 CC(Cn1cncn1)c2ccccn2 Amb30010170 [0,0,0,0,0,0|3,0,1]=4 8 B15R2.1259 CC(Nc1cnsc1)c2ccccc2 Amb35699646 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.1259 CC(Nc1nncs1)c2ccccc2 Amb28342071 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.1259 CN(CC1=NCCN1)c2ccccc2 Amb27746904 [0,0,0,0,0,0|2,0,1]=3 11 B15R2.1259 CN(CC1CCCN1)c2ccccc2 Amb9750184 [0,0,0,0,0,0|1,0,3]=4 12 B15R2.1259 CN(C[C@@H]1CCCN1)c2ccccc2 Amb5782229 [0,0,0,0,0,0|1,0,3]=4 13 B15R2.1259 CN(C[C@H]1CCCN1)c2ccccc2 Amb27208851 [0,0,0,0,0,0|1,0,3]=4 14 B15R2.1259 C[C@@H](Nc1ncns1)c2ccccc2 Amb27245926 [0,0,0,0,0,0|3,0,1]=4 15 B15R2.1259 C[C@H](CC1=NCCN1)c2ccccc2 Amb27749205 [0,0,0,0,0,0|3,0,1]=4 16 B15R2.1259 ClC(Cn1cncn1)c2ccccc2 Amb27957804 [0,0,0,0,0,0|3,0,1]=4 17 B15R2.1259 NC(Cc1ccco1)c2ccccc2 Amb5736315 [0,0,0,0,0,0|4,0,0]=4 18 B15R2.1259 NC(Cc1cccs1)c2ccccc2 Amb5736343 [0,0,0,0,0,0|4,0,0]=4 19 B15R2.1259 NC(Cc1cncs1)c2cccnc2 Amb27432737 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.1259 NC(Cc1cnsc1)c2ccccc2 Amb29868747 [0,0,0,0,0,0|4,0,0]=4 21 B15R2.1259 NC(Cc1cscn1)c2ccccc2 Amb18990211 [0,0,0,0,0,0|3,0,1]=4 22 B15R2.1259 NC(Cc1ncno1)c2ccccc2 Amb18972628 [0,0,0,0,0,0|3,0,1]=4 23 B15R2.1259 NC(Cn1ccnc1)c2ccccc2 Amb10068905 [0,0,0,0,0,0|4,0,0]=4 24 B15R2.1259 NC(Cn1ccnc1)c2ccccc2 Amb13948954 [0,0,0,0,0,0|4,0,0]=4 25 B15R2.1259 NC(Cn1ccnc1)c2ccccc2 Amb9758155 [0,0,0,0,0,0|4,0,0]=4 26 B15R2.1259 NC(Cn1cncn1)c2ccccc2 Amb1133122 [0,0,0,0,0,0|3,0,1]=4 27 B15R2.1259 O=C(Cc1ccns1)c2ccccc2 Amb35650094 [0,0,0,0,0,0|4,0,0]=4 28 B15R2.1259 O=C(Cc1cncs1)c2ccccn2 Amb27469192 [0,0,0,0,0,0|4,0,0]=4 29 B15R2.1259 O=C(Cn1ccnc1)c2ccccc2 Amb6468530 [0,0,0,0,0,0|4,0,0]=4 30 B15R2.1259 OC(CC1=CC=CC1)c2ccccc2 Amb27389021 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.1259 OC(CC1=CCC=C1)c2ccccc2 Amb27772854 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.1259 OC(Cc1cccs1)c2ccccc2 Amb28322972 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.1259 OC(Cc1ccns1)c2ccccc2 Amb29887376 [0,0,0,0,0,0|4,0,0]=4 34 B15R2.1259 OC(Cc1cncs1)c2ccccn2 Amb27594134 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.1259 OC(Cc1cncs1)c2ccncc2 Amb28250422 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.1259 OC(Cn1ccnc1)c2ccccc2 Amb1052934 [0,0,0,0,0,0|4,0,0]=4 37 B15R2.1259 OC(Cn1cncn1)c2ccccc2 Amb13952112 [0,0,0,0,0,0|3,0,1]=4 38 B15R2.1259 O[C@H](Cc1ccco1)c2ccccc2 Amb27835176 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.1259 O[C@H](Cn1ccnc1)c2ccccc2 Amb27205700 [0,0,0,0,0,0|4,0,0]=4 40 B15R2.1259 O[C@H](Cn1cncn1)c2ccccc2 Amb28045903 [0,0,0,0,0,0|3,0,1]=4 41 B14R2.101 C(#Cc1cncs1)c2ccccc2 Amb27163211 [1,0,0,0,0,0|2,0,1]=4 42 B14R2.101 C1=C(CNc2ccccc2)CCC1 Amb27233641 [1,0,0,0,0,0|2,0,1]=4 43 B14R2.101 C1=C(CNc2ccccc2)CSC1 Amb35622742 [1,0,0,0,0,0|3,0,0]=4 44 B14R2.101 C1=C(CNc2ccccc2)OCC1 Amb27873530 [1,0,0,0,0,0|2,0,1]=4 45 B14R2.101 c1cc(NCc2ccno2)ccn1 Amb27984422 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.101 c1cc(NCc2ccns2)ccn1 Amb35719861 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.101 c1cc(NCc2cncs2)ccn1 Amb27415045 [1,0,0,0,0,0|2,0,0]=3 48 B14R2.101 c1ccc(CCc2cnco2)cc1 Amb22753570 [1,0,0,0,0,0|2,0,0]=3 49 B14R2.101 c1ccc(CCn2ccnc2)cc1 Amb10179875 [1,0,0,0,0,0|3,0,0]=4 50 B14R2.101 c1ccc(CCn2cncn2)cc1 Amb20622454 [1,0,0,0,0,0|2,0,1]=4 51 B14R2.101 c1ccc(NCC2=NCCN2)cc1 Amb27593487 [1,0,0,0,0,0|2,0,1]=4 52 B14R2.101 c1ccc(NCC2=NCCN2)cc1 Amb32835540 [1,0,0,0,0,0|2,0,1]=4 53 B14R2.101 c1ccc(NCc2ccco2)cc1 Amb1669289 [1,0,0,0,0,0|2,0,0]=3 54 B14R2.101 c1ccc(NCc2ccco2)nc1 Amb1763150 [1,0,0,0,0,0|3,0,0]=4 55 B14R2.101 c1ccc(NCc2ccco2)nc1 Amb8191018 [1,0,0,0,0,0|3,0,0]=4 56 B14R2.101 c1ccc(NCc2cccs2)cc1 Amb4399614 [1,0,0,0,0,0|2,0,0]=3 57 B14R2.101 c1ccc(NCc2cccs2)nc1 Amb2578438 [1,0,0,0,0,0|3,0,0]=4 58 B14R2.101 c1ccc(NCc2ccno2)nc1 Amb28280420 [1,0,0,0,0,0|3,0,0]=4 59 B14R2.101 c1ccc(NCc2ccns2)cc1 Amb35682531 [1,0,0,0,0,0|2,0,0]=3 60 B14R2.101 c1ccc(NCc2ccns2)nc1 Amb35719509 [1,0,0,0,0,0|3,0,0]=4 61 B14R2.101 c1ccc(NCc2ccsc2)cc1 Amb13952328 [1,0,0,0,0,0|2,0,0]=3 62 B14R2.101 c1ccc(NCc2ccsc2)cc1 Amb6685084 [1,0,0,0,0,0|2,0,0]=3 63 B14R2.101 c1ccc(NCc2cncs2)cc1 Amb18996498 [1,0,0,0,0,0|1,0,0]=2 64 B14R2.101 c1ccc(NCc2cnns2)cc1 Amb27807836 [1,0,0,0,0,0|2,0,0]=3 65 B14R2.101 c1ccc(NCc2cscn2)cc1 Amb18972441 [1,0,0,0,0,0|1,0,1]=3 66 B14R2.101 c1ccc(NCc2ncco2)cc1 Amb18825238 [1,0,0,0,0,0|2,0,1]=4 67 B14R2.101 c1ccc(NCc2nccs2)cc1 Amb7541898 [1,0,0,0,0,0|2,0,1]=4 68 B14R2.101 c1ccc(NCc2ncno2)cc1 Amb18290399 [1,0,0,0,0,0|1,0,1]=3 69 B14R2.101 c1ccc(NCn2cncn2)nc1 Amb8503535 [1,0,0,0,0,0|2,0,1]=4 70 B14R2.101 c1ccc(OCc2ccco2)cc1 Amb1352023 [1,0,0,0,0,0|3,0,0]=4 71 B14R2.101 c1ccc(OCc2ccns2)cc1 Amb35651544 [1,0,0,0,0,0|3,0,0]=4 72 B14R2.101 c1ccc(OCc2ccsc2)cc1 Amb27263375 [1,0,0,0,0,0|3,0,0]=4 73 B14R2.101 c1ccc(OCc2cncs2)nc1 Amb33610431 [1,0,0,0,0,0|3,0,0]=4 74 B14R2.101 c1ccc(OCc2cnsn2)cc1 Amb27435930 [1,0,0,0,0,0|2,0,1]=4 75 B14R2.101 c1ccc(OCn2ccnc2)cc1 Amb27956452 [1,0,0,0,0,0|3,0,0]=4 76 B14R2.101 c1ccc(SCc2cccs2)cc1 Amb26436043 [1,0,0,0,0,0|3,0,0]=4 77 B14R2.101 c1ccc(SCc2ccno2)cc1 Amb27163326 [1,0,0,0,0,0|3,0,0]=4 78 B14R2.101 c1ccc(SCc2ncno2)cc1 Amb27979255 [1,0,0,0,0,0|2,0,1]=4 79 B14R2.101 c1cnc(NCc2cncs2)nc1 Amb28319411 [1,0,0,0,0,0|3,0,0]=4 80 B14R2.101 c1cncc(NCc2ccco2)c1 Amb426860 [1,0,0,0,0,0|3,0,0]=4 81 B14R2.101 c1cncc(NCc2cccs2)c1 Amb6686502 [1,0,0,0,0,0|3,0,0]=4 82 B14R2.101 c1cncc(NCc2ccns2)c1 Amb35682532 [1,0,0,0,0,0|3,0,0]=4 83 B14R2.101 c1cncc(NCc2ccoc2)c1 Amb27982042 [1,0,0,0,0,0|3,0,0]=4 84 B14R2.101 c1cncc(NCc2ccsc2)c1 Amb6686510 [1,0,0,0,0,0|3,0,0]=4 85 B14R2.101 c1cncc(NCc2cncs2)c1 Amb18996499 [1,0,0,0,0,0|2,0,0]=3 86 B14R2.101 c1cncc(NCc2cscn2)c1 Amb18290515 [1,0,0,0,0,0|2,0,1]=4 87 B14R2.101 c1cnnc(NCc2cncs2)c1 Amb27872834 [1,0,0,0,0,0|3,0,0]=4 88 B14R2.101 c1coc(CNc2ccncc2)c1 Amb6640341 [1,0,0,0,0,0|3,0,0]=4 89 B16R2.125 CN(Cc1cccs1)c2ccc(Br)cn2 Amb27882199 [0,1,0,0,0,0|3,0,0]=4 90 B16R2.125 CN(Cc1ccns1)c2ccc(Br)cn2 Amb35717115 [0,1,0,0,0,0|3,0,0]=4 91 B16R2.125 CN(Cc1cncs1)c2ccc(Br)cn2 Amb28195762 [0,1,0,0,0,0|2,0,0]=3 92 B16R2.125 CN(Cc1cncs1)c2cnc(Br)cn2 Amb27221285 [0,1,0,0,0,0|3,0,0]=4 93 B16R2.125 CN(Cc1cncs1)c2cnc(Cl)cn2 Amb27815551 [0,1,0,0,0,0|3,0,0]=4 94 B16R2.125 CN(Cc1cncs1)c2ncc(Br)cn2 Amb28060244 [0,1,0,0,0,0|3,0,0]=4 95 B16R2.125 CN(Cc1cncs1)c2ncc(I)cn2 Amb27222760 [0,1,0,0,0,0|3,0,0]=4 96 B16R2.125 CN(Cc1cnns1)c2ccc(Br)cn2 Amb27473750 [0,1,0,0,0,0|3,0,0]=4 97 B16R2.243 CN(Cc1ccco1)c2cccc(F)n2 Amb28347642 [0,1,0,0,0,0|3,0,0]=4 98 B16R2.243 CN(Cc1ccco1)c2cccc(N)c2 Amb9388106 [0,1,0,0,0,0|2,0,0]=3 99 B16R2.243 CN(Cc1cccs1)c2cccc(F)n2 Amb27960240 [0,1,0,0,0,0|3,0,0]=4 100 B16R2.243 CN(Cc1cccs1)c2cccc(N)c2 Amb9388721 [0,1,0,0,0,0|2,0,0]=3 101 B16R2.243 CN(Cc1ccns1)c2cccc(Br)n2 Amb35717274 [0,1,0,0,0,0|3,0,0]=4 102 B16R2.243 CN(Cc1ccns1)c2cccc(Cl)n2 Amb35717268 [0,1,0,0,0,0|3,0,0]=4 103 B16R2.243 CN(Cc1ccns1)c2cccc(F)n2 Amb35717265 [0,1,0,0,0,0|3,0,0]=4 104 B16R2.243 CN(Cc1ccns1)c2ccnc(Cl)c2 Amb35717267 [0,1,0,0,0,0|3,0,0]=4 105 B16R2.243 CN(Cc1ccns1)c2ccnc(F)c2 Amb35717264 [0,1,0,0,0,0|3,0,0]=4 106 B16R2.243 CN(Cc1ccns1)c2cncc(Br)c2 Amb35717275 [0,1,0,0,0,0|3,0,0]=4 107 B16R2.243 CN(Cc1ccoc1)c2cccc(Br)n2 Amb27814839 [0,1,0,0,0,0|3,0,0]=4 108 B16R2.243 CN(Cc1ccoc1)c2ccnc(Cl)c2 Amb28199381 [0,1,0,0,0,0|3,0,0]=4 109 B16R2.243 CN(Cc1ccoc1)c2cncc(Br)c2 Amb28046618 [0,1,0,0,0,0|3,0,0]=4 110 B16R2.243 CN(Cc1ccsc1)c2cccc(F)n2 Amb23606180 [0,1,0,0,0,0|3,0,0]=4 111 B16R2.243 CN(Cc1cncs1)c2cc(Cl)ncn2 Amb27653656 [0,1,0,0,0,0|3,0,0]=4 112 B16R2.243 CN(Cc1cncs1)c2cccc(Cl)n2 Amb27656070 [0,1,0,0,0,0|2,0,0]=3 113 B16R2.243 CN(Cc1cncs1)c2ccnc(F)n2 Amb35677815 [0,1,0,0,0,0|3,0,0]=4 114 B16R2.243 CN(Cc1cncs1)c2cncc(Br)c2 Amb27775220 [0,1,0,0,0,0|2,0,0]=3 115 B16R2.243 CN(Cc1cncs1)c2cncc(Cl)n2 Amb28204329 [0,1,0,0,0,0|3,0,0]=4 116 B16R2.243 CN(Cc1cncs1)c2cncc(F)n2 Amb35700839 [0,1,0,0,0,0|3,0,0]=4 117 B16R2.243 CN(Cc1cnns1)c2cccc(Br)n2 Amb27856250 [0,1,0,0,0,0|3,0,0]=4 118 B16R2.243 CN(Cc1cnns1)c2cccc(F)n2 Amb28195755 [0,1,0,0,0,0|3,0,0]=4 119 B16R2.243 CN(Cc1cscn1)c2cccc(F)n2 Amb27773474 [0,1,0,0,0,0|2,0,1]=4 120 B16R2.243 CN(Cc1cscn1)c2cncc(Br)c2 Amb27611244 [0,1,0,0,0,0|2,0,1]=4 121 B16R2.685 NCC(Cc1ccco1)c2ccccc2 Amb5733595 [0,1,0,0,0,0|3,0,0]=4 122 B16R2.685 NCC(Cc1cccs1)c2ccccc2 Amb5733596 [0,1,0,0,0,0|3,0,0]=4 123 B16R2.685 OCC(Cc1ccco1)c2ccccc2 Amb5748450 [0,1,0,0,0,0|3,0,0]=4 124 B16R2.685 OCC(Cc1cccs1)c2ccccc2 Amb5748451 [0,1,0,0,0,0|3,0,0]=4 125 B16R2.2829 CC(Cc1nnc(N)s1)c2ccccc2 Amb836477 [0,1,0,0,0,0|3,0,0]=4 126 B16R2.2829 CC(Cc1nnc(S)o1)c2ccccc2 Amb2370534 [0,1,0,0,0,0|3,0,0]=4 127 B16R2.2829 CC(Cn1cnc(N)n1)c2ccccc2 Amb32704319 [0,1,0,0,0,0|2,0,1]=4 128 B16R2.2829 CN(Cc1cnc(Cl)s1)c2ccccc2 Amb27826617 [0,1,0,0,0,0|1,0,0]=2 129 B16R2.2829 CN(Cc1nnc(N)s1)c2ccccc2 Amb17209825 [0,1,0,0,0,0|2,0,0]=3 130 B16R2.2965 CN(Cc1ccco1)c2ccncc2Br Amb27173895 [0,1,0,0,0,0|3,0,0]=4 131 B16R2.2965 CN(Cc1cccs1)c2ncccc2Br Amb27851003 [0,1,0,0,0,0|3,0,0]=4 132 B16R2.2965 CN(Cc1ccns1)c2ccncc2Br Amb35717114 [0,1,0,0,0,0|3,0,0]=4 133 B16R2.2965 CN(Cc1ccns1)c2ncccc2Br Amb35717113 [0,1,0,0,0,0|3,0,0]=4 134 B16R2.2965 CN(Cc1ccsc1)c2ncccc2Br Amb27790549 [0,1,0,0,0,0|3,0,0]=4 135 B16R2.2965 CN(Cc1cncs1)c2ccncc2Br Amb27653665 [0,1,0,0,0,0|2,0,0]=3 136 B16R2.2965 CN(Cc1cncs1)c2nccnc2F Amb35729080 [0,1,0,0,0,0|3,0,0]=4 137 B16R2.2965 CN(Cc1cncs1)c2ncncc2Br Amb27435936 [0,1,0,0,0,0|3,0,0]=4 138 B16R2.2965 Cc1ccccc1C(=O)Cc2cncs2 Amb27169626 [0,1,0,0,0,0|3,0,0]=4 139 B16R2.3014 CC(Cn1ccnc1N)c2ccccc2 Amb18972124 [0,1,0,0,0,0|3,0,0]=4 140 B16R2.3014 CN(Cc1ccsc1Br)c2ccccc2 Amb28069356 [0,1,0,0,0,0|2,0,0]=3 141 B16R2.3014 CN(Cc1nnsc1Cl)c2ccccc2 Amb8259237 [0,1,0,0,0,0|2,0,1]=4 142 B16R2.3014 Cn1cncc1CC(=O)c2ccccc2 Amb35709800 [0,1,0,0,0,0|2,0,0]=3 143 B16R2.3014 Cn1cncc1CC(=O)c2ccccn2 Amb35709802 [0,1,0,0,0,0|3,0,0]=4 144 B16R2.3014 Cn1cncc1CC(=O)c2cccnc2 Amb35709801 [0,1,0,0,0,0|3,0,0]=4 145 B16R2.3014 Cn1cncc1CC(=O)c2ccncc2 Amb35713807 [0,1,0,0,0,0|3,0,0]=4 146 B16R2.6780 CC(C(=O)c1cncs1)c2ccccc2 Amb29878063 [0,1,0,0,0,0|2,0,1]=4 147 B16R2.6780 CC(c1ccncc1)C(Br)c2cncs2 Amb28364160 [0,1,0,0,0,0|3,0,0]=4 148 B16R2.6780 CN(C(=O)c1cccs1)c2ccccc2 Amb6401407 [0,1,0,0,0,0|2,0,1]=4 149 B16R2.6780 CN(C(=O)c1cscn1)c2ccccc2 Amb26350071 [0,1,0,0,0,0|1,0,2]=4 150 B14R1.38 CN(\C=C\C=C\C=O)c1ccccc1 Amb17594856 [0,0,1,0,0,0|2,0,1]=4 151 B16R3.1782 c1ccc(C2CC2c3cnco3)cc1 Amb35652467 [0,0,0,1,0,0|2,0,0]=3 152 B16R3.5988 c1ccc(N2CC3=C(CNC3)C2)cc1 Amb28184037 [0,0,0,1,0,0|3,0,0]=4 153 B16R3.5988 c1cncc(N2Cc3ccsc3C2)c1 Amb28136801 [0,0,0,1,0,0|3,0,0]=4 154 B16R3.13490 CN1Cc2nnnn2-c3ccccc31 Amb26397715 [0,0,0,1,0,0|2,0,0]=3 155 B16R3.13490 ClC1Cc2nncn2-c3ccccc31 Amb27169472 [0,0,0,1,0,0|3,0,0]=4 156 B16R3.13490 O=C1Nc2cncn2-c3ccccc31 Amb28434664 [0,0,0,1,0,0|3,0,0]=4 157 B14R2.114 CC(c1ccccc1)c2cccs2 Amb27642116 [0,0,0,0,1,0|3,0,0]=4 158 B14R2.114 CC(c1ccccc1)n2ccnc2 Amb15740528 [0,0,0,0,1,0|3,0,0]=4 159 B14R2.114 CN(C1=NCCN1)c2ccccc2 Amb27411972 [0,0,0,0,1,0|2,0,1]=4 160 B14R2.114 CN(c1ccccc1)c2nccs2 Amb17967663 [0,0,0,0,1,0|2,0,1]=4 161 B14R2.114 O=C(c1ccccc1)c2cncs2 Amb25731676 [0,0,0,0,1,0|3,0,0]=4 162 B14R2.114 OC(c1ccccc1)c2cnco2 Amb27961226 [0,0,0,0,1,0|3,0,0]=4 163 B14R2.114 OC(c1ccccc1)c2cncs2 Amb25676110 [0,0,0,0,1,0|3,0,0]=4 164 B16R2.88 BrC(Cc1ccncc1)c2ccccc2 Amb28040756 [0,0,0,0,0,1|3,0,0]=4 165 B16R2.88 BrC(Cc1ccncn1)c2ccccc2 Amb35745445 [0,0,0,0,0,1|2,0,1]=4 166 B16R2.88 CN(Cc1ccccc1)c2ccccc2 Amb9787584 [0,0,0,0,0,1|2,0,0]=3 167 B16R2.88 CN(Cc1ccccc1)c2ccccn2 Amb17967451 [0,0,0,0,0,1|3,0,0]=4 168 B16R2.88 CN(Cc1ccccc1)c2cccnc2 Amb17967452 [0,0,0,0,0,1|3,0,0]=4 169 B16R2.88 ClC(Cc1ccncn1)c2ccccc2 Amb35745446 [0,0,0,0,0,1|2,0,1]=4 170 B16R2.88 NN(Cc1ccccc1)c2ccccc2 Amb3620838 [0,0,0,0,0,1|3,0,0]=4 171 B16R2.88 NN(Cc1ccccc1)c2ccccc2 Amb4397512 [0,0,0,0,0,1|3,0,0]=4 172 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 Amb33530368 [0,0,0,0,0,1|3,0,0]=4 173 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 Amb2691341 [0,0,0,0,0,1|2,0,1]=4 174 B16R2.88 OC(Cc1cnccn1)c2ccccc2 Amb2691343 [0,0,0,0,0,1|2,0,1]=4 175 B16R2.88 [NH3+]N(Cc1ccccc1)c2ccccc2 Amb24113854 [0,0,0,0,0,1|3,0,0]=4 176 B16R2.5767 CC(NCc1ccco1)c2ccccc2 Amb1120443 [0,0,0,0,0,1|3,0,0]=4 177 B16R2.5767 CC(NCc1cccs1)c2ccccc2 Amb837864 [0,0,0,0,0,1|3,0,0]=4 178 B16R2.5767 CC(NCc1cncs1)c2ccccc2 Amb19030207 [0,0,0,0,0,1|2,0,0]=3 179 B16R2.5767 CC(NCc1cncs1)c2cccnc2 Amb19030228 [0,0,0,0,0,1|3,0,0]=4 180 B16R2.5767 CC(NCc1cncs1)c2ccncc2 Amb19030224 [0,0,0,0,0,1|3,0,0]=4 181 B16R2.5767 C[C@@H](NCc1ccco1)c2ccccc2 Amb6853318 [0,0,0,0,0,1|3,0,0]=4 182 B13R1.11 CN(CC(=O)NO)c1ccccc1 Amb28284032 [1,0,1,0,0,0|2,0,0]=4 183 B13R1.11 C\C=C(/F)CN(C)c1ccccc1 Amb22546801 [1,0,1,0,0,0|1,0,1]=4 184 B15R1.115 C=CCNC(=O)CN(C)c1ccccc1 Amb15702346 [0,1,1,0,0,0|2,0,0]=4 185 B15R2.55 Brc1ccoc1CNc2ccccc2 Amb27656393 [1,1,0,0,0,0|2,0,0]=4 186 B15R2.55 Brc1ccsc1CNc2ccccc2 Amb24376814 [1,1,0,0,0,0|2,0,0]=4 187 B15R2.55 Brc1cscc1CNc2ccccc2 Amb25323014 [1,1,0,0,0,0|2,0,0]=4 188 B15R2.55 Brc1occc1CNc2ccccc2 Amb27773124 [1,1,0,0,0,0|2,0,0]=4 189 B15R2.55 Brc1scnc1CNc2ccccc2 Amb35661069 [1,1,0,0,0,0|1,0,1]=4 190 B15R2.55 Cc1ncsc1CNc2cccnc2 Amb24713741 [1,1,0,0,0,0|2,0,0]=4 191 B15R2.55 Cc1nonc1CNc2ccccc2 Amb26875744 [1,1,0,0,0,0|1,0,1]=4 192 B15R2.55 Cn1cccc1CNc2ccccc2 Amb7759742 [1,1,0,0,0,0|1,0,0]=3 193 B15R2.55 Cn1cccc1CNc2cccnc2 Amb7796004 [1,1,0,0,0,0|2,0,0]=4 194 B15R2.55 Cn1cncc1C#Cc2ccccc2 Amb27664258 [1,1,0,0,0,0|1,0,1]=4 195 B15R2.55 Cn1cncc1CNc2ccncn2 Amb28283550 [1,1,0,0,0,0|2,0,0]=4 196 B15R2.55 Cn1cnnc1CCc2ccccc2 Amb25665101 [1,1,0,0,0,0|2,0,0]=4 197 B15R2.55 Cn1cnnc1CNc2ccccn2 Amb18971184 [1,1,0,0,0,0|2,0,0]=4 198 B15R2.55 Cn1nccc1CNc2ccccc2 Amb2716293 [1,1,0,0,0,0|2,0,0]=4 199 B15R2.55 Ic1ccsc1CNc2ccccc2 Amb27479770 [1,1,0,0,0,0|2,0,0]=4 200 B15R2.55 Nc1ccsc1CNc2ccccc2 Amb27387575 [1,1,0,0,0,0|2,0,0]=4 201 B15R2.64 CC(Nc1ccccc1)c2ccco2 Amb6685122 [1,1,0,0,0,0|2,0,0]=4 202 B15R2.64 CC(Nc1ccccc1)c2cccs2 Amb6685113 [1,1,0,0,0,0|2,0,0]=4 203 B15R2.64 CC(Nc1ccccc1)c2ccoc2 Amb27166440 [1,1,0,0,0,0|2,0,0]=4 204 B15R2.64 CC(Nc1ccccc1)c2cscn2 Amb27809923 [1,1,0,0,0,0|1,0,1]=4 205 B15R2.64 CC(Nc1ccccn1)c2cncs2 Amb27981356 [1,1,0,0,0,0|2,0,0]=4 206 B15R2.64 C[C@H](Nc1ccccc1)c2ccco2 Amb27223864 [1,1,0,0,0,0|2,0,0]=4 207 B15R2.100 Brc1ccc(NCc2ccco2)cc1 Amb4086236 [1,1,0,0,0,0|2,0,0]=4 208 B15R2.100 Brc1ccc(NCc2cccs2)cc1 Amb837985 [1,1,0,0,0,0|2,0,0]=4 209 B15R2.100 Brc1ccc(NCc2ccns2)cc1 Amb35742399 [1,1,0,0,0,0|2,0,0]=4 210 B15R2.100 Brc1ccc(NCc2ccoc2)cc1 Amb26521722 [1,1,0,0,0,0|2,0,0]=4 211 B15R2.100 Brc1ccc(NCc2ccsc2)cc1 Amb6696491 [1,1,0,0,0,0|2,0,0]=4 212 B15R2.100 Brc1ccc(NCc2cncs2)cc1 Amb27777689 [1,1,0,0,0,0|1,0,0]=3 213 B15R2.100 Brc1ccc(NCc2cocn2)cc1 Amb27813932 [1,1,0,0,0,0|1,0,1]=4 214 B15R2.100 Brc1ccc(NCc2ncno2)cc1 Amb27199210 [1,1,0,0,0,0|1,0,1]=4 215 B15R2.100 Cc1ccc(CCc2cnco2)cc1 Amb35647913 [1,1,0,0,0,0|2,0,0]=4 216 B15R2.100 Cc1ccc(NCc2ccco2)cc1 Amb1106843 [1,1,0,0,0,0|2,0,0]=4 217 B15R2.100 Cc1ccc(NCc2cccs2)cc1 Amb3765816 [1,1,0,0,0,0|2,0,0]=4 218 B15R2.100 Cc1ccc(NCc2ccns2)cc1 Amb35742406 [1,1,0,0,0,0|2,0,0]=4 219 B15R2.100 Cc1ccc(NCc2ccsc2)cc1 Amb6700779 [1,1,0,0,0,0|2,0,0]=4 220 B15R2.100 Cc1ccc(NCc2cncs2)cc1 Amb18996525 [1,1,0,0,0,0|1,0,0]=3 221 B15R2.100 Cc1ccc(NCc2cncs2)cn1 Amb26521890 [1,1,0,0,0,0|2,0,0]=4 222 B15R2.100 Cc1ccc(NCc2ncno2)cc1 Amb18290397 [1,1,0,0,0,0|1,0,1]=4 223 B15R2.100 Clc1ccc(NCc2ccco2)cc1 Amb27167937 [1,1,0,0,0,0|2,0,0]=4 224 B15R2.100 Clc1ccc(NCc2ccco2)cc1 Amb534493 [1,1,0,0,0,0|2,0,0]=4 225 B15R2.100 Clc1ccc(NCc2cccs2)cc1 Amb6322684 [1,1,0,0,0,0|2,0,0]=4 226 B15R2.100 Clc1ccc(NCc2ccno2)cc1 Amb28320286 [1,1,0,0,0,0|2,0,0]=4 227 B15R2.100 Clc1ccc(NCc2ccns2)cc1 Amb35580044 [1,1,0,0,0,0|2,0,0]=4 228 B15R2.100 Clc1ccc(NCc2ccsc2)cc1 Amb6354284 [1,1,0,0,0,0|2,0,0]=4 229 B15R2.100 Clc1ccc(NCc2cnco2)cc1 Amb28070014 [1,1,0,0,0,0|1,0,0]=3 230 B15R2.100 Clc1ccc(NCc2cncs2)cc1 Amb18996510 [1,1,0,0,0,0|1,0,0]=3 231 B15R2.100 Clc1ccc(NCc2cncs2)cn1 Amb24344868 [1,1,0,0,0,0|2,0,0]=4 232 B15R2.100 Clc1ccc(NCc2cncs2)nc1 Amb27401630 [1,1,0,0,0,0|2,0,0]=4 233 B15R2.100 Clc1ccc(NCc2cocn2)cc1 Amb27256144 [1,1,0,0,0,0|1,0,1]=4 234 B15R2.100 Clc1ccc(NCc2cscn2)cc1 Amb18972452 [1,1,0,0,0,0|1,0,1]=4 235 B15R2.100 Clc1ccc(NCn2cncn2)cc1 Amb27815152 [1,1,0,0,0,0|1,0,1]=4 236 B15R2.100 Clc1ccc(OCc2cncs2)cc1 Amb28282067 [1,1,0,0,0,0|2,0,0]=4 237 B15R2.100 Fc1ccc(NCc2ccco2)cc1 Amb2607069 [1,1,0,0,0,0|2,0,0]=4 238 B15R2.100 Fc1ccc(NCc2ccco2)cc1 Amb7969755 [1,1,0,0,0,0|2,0,0]=4 239 B15R2.100 Fc1ccc(NCc2cccs2)cc1 Amb10609384 [1,1,0,0,0,0|2,0,0]=4 240 B15R2.100 Fc1ccc(NCc2cccs2)cc1 Amb837944 [1,1,0,0,0,0|2,0,0]=4 241 B15R2.100 Fc1ccc(NCc2ccns2)cc1 Amb35733212 [1,1,0,0,0,0|2,0,0]=4 242 B15R2.100 Fc1ccc(NCc2ccoc2)cc1 Amb28368978 [1,1,0,0,0,0|2,0,0]=4 243 B15R2.100 Fc1ccc(NCc2ccsc2)cc1 Amb6696724 [1,1,0,0,0,0|2,0,0]=4 244 B15R2.100 Fc1ccc(NCc2cnco2)cn1 Amb27433277 [1,1,0,0,0,0|2,0,0]=4 245 B15R2.100 Fc1ccc(NCc2cncs2)cc1 Amb18996513 [1,1,0,0,0,0|1,0,0]=3 246 B15R2.100 Fc1ccc(NCc2cnsn2)cc1 Amb27779918 [1,1,0,0,0,0|1,0,1]=4 247 B15R2.100 Fc1ccc(NCc2cscn2)cc1 Amb18972447 [1,1,0,0,0,0|1,0,1]=4 248 B15R2.100 Ic1ccc(NCc2cccs2)cc1 Amb7759902 [1,1,0,0,0,0|2,0,0]=4 249 B15R2.100 Ic1ccc(NCc2ccns2)cc1 Amb35730865 [1,1,0,0,0,0|2,0,0]=4 250 B15R2.100 Ic1ccc(NCc2cncs2)nc1 Amb28201609 [1,1,0,0,0,0|2,0,0]=4 251 B15R2.100 Ic1ccc(NCc2cnsn2)cc1 Amb27221303 [1,1,0,0,0,0|1,0,1]=4 252 B15R2.100 Nc1ccc(NCc2ccco2)cc1 Amb9205195 [1,1,0,0,0,0|2,0,0]=4 253 B15R2.100 Nc1ccc(NCc2ccns2)cc1 Amb35717057 [1,1,0,0,0,0|2,0,0]=4 254 B15R2.100 Nc1ccc(NCc2ccoc2)cc1 Amb27174059 [1,1,0,0,0,0|2,0,0]=4 255 B15R2.100 Nc1ccc(NCc2cnns2)cc1 Amb27247474 [1,1,0,0,0,0|2,0,0]=4 256 B15R2.100 Nc1ccc(NCn2cncn2)cc1 Amb27423014 [1,1,0,0,0,0|1,0,1]=4 257 B15R2.100 O=C1C=CC(NCc2cnco2)=CN1 Amb28071732 [1,1,0,0,0,0|2,0,0]=4 258 B15R2.100 Oc1ccc(NCc2ccco2)cc1 Amb2721974 [1,1,0,0,0,0|2,0,0]=4 259 B15R2.100 Oc1ccc(NCc2cccs2)cc1 Amb6336203 [1,1,0,0,0,0|2,0,0]=4 260 B15R2.100 Oc1ccc(NCc2ccns2)cc1 Amb35742412 [1,1,0,0,0,0|2,0,0]=4 261 B15R2.100 Oc1ccc(NCc2cnco2)cc1 Amb27981165 [1,1,0,0,0,0|1,0,0]=3 262 B15R2.100 Oc1ccc(NCc2cncs2)cc1 Amb18996550 [1,1,0,0,0,0|1,0,0]=3 263 B15R2.100 Oc1ccc(NCc2cocn2)cc1 Amb27832747 [1,1,0,0,0,0|1,0,1]=4 264 B15R2.283 Brc1cc(CNc2ccccc2)on1 Amb28047981 [1,1,0,0,0,0|2,0,0]=4 265 B15R2.283 Brc1ccc(CNc2ccccc2)s1 Amb6685182 [1,1,0,0,0,0|2,0,0]=4 266 B15R2.283 Brc1coc(CNc2ccccc2)c1 Amb27809278 [1,1,0,0,0,0|2,0,0]=4 267 B15R2.283 Brc1csc(CNc2ccccc2)c1 Amb7783550 [1,1,0,0,0,0|2,0,0]=4 268 B15R2.283 Cc1cc(CNc2ccccc2)sn1 Amb29868120 [1,1,0,0,0,0|2,0,0]=4 269 B15R2.283 Cc1ncc(CNc2cccnc2)s1 Amb19372994 [1,1,0,0,0,0|2,0,0]=4 270 B15R2.283 Cc1ncc(CNc2ccncc2)o1 Amb27976033 [1,1,0,0,0,0|2,0,0]=4 271 B15R2.283 Cc1nnc(CNc2ccccc2)o1 Amb17029950 [1,1,0,0,0,0|2,0,0]=4 272 B15R2.283 Cc1nnc(CNc2ccccc2)s1 Amb28201777 [1,1,0,0,0,0|2,0,0]=4 273 B15R2.283 Cc1noc(CNc2ccccc2)n1 Amb18968007 [1,1,0,0,0,0|1,0,1]=4 274 B15R2.283 Clc1cc(CNc2ccccc2)cs1 Amb27768782 [1,1,0,0,0,0|2,0,0]=4 275 B15R2.283 Clc1ccc(CNc2ccccc2)s1 Amb6707036 [1,1,0,0,0,0|2,0,0]=4 276 B15R2.283 Clc1ncc(COc2ccccc2)s1 Amb2435155 [1,1,0,0,0,0|2,0,0]=4 277 B15R2.283 Clc1ncc(CSc2ccccc2)s1 Amb2429943 [1,1,0,0,0,0|2,0,0]=4 278 B15R2.283 Cn1cc(CNc2ccccc2)cn1 Amb6715965 [1,1,0,0,0,0|2,0,0]=4 279 B15R2.283 Ic1ccc(CNc2ccccc2)o1 Amb9622177 [1,1,0,0,0,0|2,0,0]=4 280 B15R2.283 Nc1nc(CNc2ccccc2)cs1 Amb18865210 [1,1,0,0,0,0|1,0,1]=4 281 B15R2.283 Nc1ncc(CCc2ccccc2)o1 Amb27645227 [1,1,0,0,0,0|2,0,0]=4 282 B15R2.283 Nc1ncc(CNc2ccccn2)o1 Amb28045542 [1,1,0,0,0,0|2,0,0]=4 283 B15R2.283 Nc1ncc(COc2ccccc2)s1 Amb4291193 [1,1,0,0,0,0|2,0,0]=4 284 B15R2.283 O=C1NC=C(CNc2ccncc2)N1 Amb27426510 [1,1,0,0,0,0|1,0,1]=4 285 B15R2.562 Brc1ccccc1NCc2ccco2 Amb6696376 [1,1,0,0,0,0|2,0,0]=4 286 B15R2.562 Brc1ccccc1NCc2cccs2 Amb4418598 [1,1,0,0,0,0|2,0,0]=4 287 B15R2.562 Brc1ccccc1NCc2ccno2 Amb27592304 [1,1,0,0,0,0|2,0,0]=4 288 B15R2.562 Brc1ccccc1NCc2ccns2 Amb35742396 [1,1,0,0,0,0|2,0,0]=4 289 B15R2.562 Brc1ccccc1NCc2ccsc2 Amb6696381 [1,1,0,0,0,0|2,0,0]=4 290 B15R2.562 Brc1ccccc1NCc2cncs2 Amb25164853 [1,1,0,0,0,0|1,0,0]=3 291 B15R2.562 Brc1ccccc1NCc2cnsn2 Amb27215080 [1,1,0,0,0,0|1,0,1]=4 292 B15R2.562 Brc1ccccc1NCc2cscn2 Amb27771339 [1,1,0,0,0,0|1,0,1]=4 293 B15R2.562 Brc1cnccc1NCc2cncs2 Amb28289717 [1,1,0,0,0,0|2,0,0]=4 294 B15R2.562 Cc1ccccc1CCc2cnco2 Amb35647974 [1,1,0,0,0,0|2,0,0]=4 295 B15R2.562 Cc1ccccc1NCc2ccco2 Amb6701130 [1,1,0,0,0,0|2,0,0]=4 296 B15R2.562 Cc1ccccc1NCc2cccs2 Amb6701127 [1,1,0,0,0,0|2,0,0]=4 297 B15R2.562 Cc1ccccc1NCc2ccno2 Amb27419085 [1,1,0,0,0,0|2,0,0]=4 298 B15R2.562 Cc1ccccc1NCc2ccns2 Amb35742405 [1,1,0,0,0,0|2,0,0]=4 299 B15R2.562 Cc1ccccc1NCc2ccsc2 Amb6701135 [1,1,0,0,0,0|2,0,0]=4 300 B15R2.562 Cc1ccccc1NCc2cnco2 Amb27756776 [1,1,0,0,0,0|1,0,0]=3 301 B15R2.562 Cc1ccccc1NCc2cncs2 Amb18996527 [1,1,0,0,0,0|1,0,0]=3 302 B15R2.562 Cc1ccncc1NCc2cncs2 Amb25830787 [1,1,0,0,0,0|2,0,0]=4 303 B15R2.562 Cc1cnccc1NCc2cncs2 Amb27273519 [1,1,0,0,0,0|2,0,0]=4 304 B15R2.562 Cc1ncccc1NCc2cncs2 Amb27975060 [1,1,0,0,0,0|2,0,0]=4 305 B15R2.562 Clc1ccccc1NCc2ccco2 Amb27790092 [1,1,0,0,0,0|2,0,0]=4 306 B15R2.562 Clc1ccccc1NCc2ccco2 Amb534494 [1,1,0,0,0,0|2,0,0]=4 307 B15R2.562 Clc1ccccc1NCc2cccs2 Amb4304335 [1,1,0,0,0,0|2,0,0]=4 308 B15R2.562 Clc1ccccc1NCc2ccno2 Amb27418972 [1,1,0,0,0,0|2,0,0]=4 309 B15R2.562 Clc1ccccc1NCc2ccns2 Amb35580043 [1,1,0,0,0,0|2,0,0]=4 310 B15R2.562 Clc1ccccc1NCc2ccsc2 Amb6696858 [1,1,0,0,0,0|2,0,0]=4 311 B15R2.562 Clc1ccccc1NCc2cncs2 Amb18996514 [1,1,0,0,0,0|1,0,0]=3 312 B15R2.562 Clc1ccccc1NCc2cnns2 Amb28321205 [1,1,0,0,0,0|2,0,0]=4 313 B15R2.562 Clc1ccccc1NCc2cnsn2 Amb27852200 [1,1,0,0,0,0|1,0,1]=4 314 B15R2.562 Clc1ccccc1NCc2cocn2 Amb27418973 [1,1,0,0,0,0|1,0,1]=4 315 B15R2.562 Clc1ccccc1OCc2cncs2 Amb27650958 [1,1,0,0,0,0|2,0,0]=4 316 B15R2.562 Clc1ccncc1NCc2cnco2 Amb28325336 [1,1,0,0,0,0|2,0,0]=4 317 B15R2.562 Fc1ccccc1NCc2ccco2 Amb6697272 [1,1,0,0,0,0|2,0,0]=4 318 B15R2.562 Fc1ccccc1NCc2cccs2 Amb6697269 [1,1,0,0,0,0|2,0,0]=4 319 B15R2.562 Fc1ccccc1NCc2ccns2 Amb35733213 [1,1,0,0,0,0|2,0,0]=4 320 B15R2.562 Fc1ccccc1NCc2ccsc2 Amb6697278 [1,1,0,0,0,0|2,0,0]=4 321 B15R2.562 Fc1ccccc1NCc2cncs2 Amb18996515 [1,1,0,0,0,0|1,0,0]=3 322 B15R2.562 Fc1ccccc1NCc2cnns2 Amb28348828 [1,1,0,0,0,0|2,0,0]=4 323 B15R2.562 Fc1ccccc1NCc2cscn2 Amb18972453 [1,1,0,0,0,0|1,0,1]=4 324 B15R2.562 Fc1ncccc1NCc2cnco2 Amb35714032 [1,1,0,0,0,0|2,0,0]=4 325 B15R2.562 Fc1ncccc1NCc2cncs2 Amb35714065 [1,1,0,0,0,0|2,0,0]=4 326 B15R2.562 Ic1ccccc1NCc2ccco2 Amb9208197 [1,1,0,0,0,0|2,0,0]=4 327 B15R2.562 Ic1ccccc1NCc2cccs2 Amb7759831 [1,1,0,0,0,0|2,0,0]=4 328 B15R2.562 Ic1ccccc1NCc2ccns2 Amb35730866 [1,1,0,0,0,0|2,0,0]=4 329 B15R2.562 Ic1ccccc1NCc2ccsc2 Amb7785757 [1,1,0,0,0,0|2,0,0]=4 330 B15R2.562 Ic1ccccc1NCc2cncs2 Amb26940273 [1,1,0,0,0,0|1,0,0]=3 331 B15R2.562 Ic1ccccc1NCc2cnsn2 Amb27850716 [1,1,0,0,0,0|1,0,1]=4 332 B15R2.562 Nc1ccccc1NCc2ccco2 Amb9205197 [1,1,0,0,0,0|2,0,0]=4 333 B15R2.562 Nc1ccccc1NCc2ccns2 Amb35720614 [1,1,0,0,0,0|2,0,0]=4 334 B15R2.562 Nc1ccccc1NCc2ccoc2 Amb28313820 [1,1,0,0,0,0|2,0,0]=4 335 B15R2.562 Nc1ccccc1NCc2ccsc2 Amb28283188 [1,1,0,0,0,0|2,0,0]=4 336 B15R2.562 Nc1ccccc1NCc2cnns2 Amb27969502 [1,1,0,0,0,0|2,0,0]=4 337 B15R2.562 Nc1ccccc1NCc2cocn2 Amb28347133 [1,1,0,0,0,0|1,0,1]=4 338 B15R2.562 Oc1ccccc1SCc2cncs2 Amb27594131 [1,1,0,0,0,0|2,0,0]=4 339 B15R2.1117 Brc1cccc(NCc2ccco2)c1 Amb6696596 [1,1,0,0,0,0|2,0,0]=4 340 B15R2.1117 Brc1cccc(NCc2cccs2)c1 Amb4418524 [1,1,0,0,0,0|2,0,0]=4 341 B15R2.1117 Brc1cccc(NCc2ccns2)c1 Amb35742398 [1,1,0,0,0,0|2,0,0]=4 342 B15R2.1117 Brc1cccc(NCc2ccsc2)c1 Amb6696602 [1,1,0,0,0,0|2,0,0]=4 343 B15R2.1117 Brc1cccc(NCc2cnco2)c1 Amb27760976 [1,1,0,0,0,0|1,0,0]=3 344 B15R2.1117 Brc1cccc(NCc2cncs2)c1 Amb26334480 [1,1,0,0,0,0|1,0,0]=3 345 B15R2.1117 Brc1cccc(NCc2cncs2)n1 Amb28183434 [1,1,0,0,0,0|2,0,0]=4 346 B15R2.1117 Brc1cccc(NCc2cocn2)c1 Amb27765303 [1,1,0,0,0,0|1,0,1]=4 347 B15R2.1117 Brc1cccc(NCc2cscn2)c1 Amb27233292 [1,1,0,0,0,0|1,0,1]=4 348 B15R2.1117 Brc1cccc(OCc2cncs2)c1 Amb28401231 [1,1,0,0,0,0|2,0,0]=4 349 B15R2.1117 Brc1cncc(NCc2cncs2)c1 Amb27591480 [1,1,0,0,0,0|2,0,0]=4 350 B15R2.1117 Cc1cccc(CCc2cnco2)c1 Amb35647914 [1,1,0,0,0,0|2,0,0]=4 351 B15R2.1117 Cc1cccc(NCc2ccco2)c1 Amb6684426 [1,1,0,0,0,0|2,0,0]=4 352 B15R2.1117 Cc1cccc(NCc2cccs2)c1 Amb6684423 [1,1,0,0,0,0|2,0,0]=4 353 B15R2.1117 Cc1cccc(NCc2ccns2)c1 Amb35742404 [1,1,0,0,0,0|2,0,0]=4 354 B15R2.1117 Cc1cccc(NCc2ccsc2)c1 Amb6684431 [1,1,0,0,0,0|2,0,0]=4 355 B15R2.1117 Cc1cccc(NCc2cncs2)c1 Amb18996495 [1,1,0,0,0,0|1,0,0]=3 356 B15R2.1117 Cc1cccc(NCc2cnsn2)c1 Amb27469074 [1,1,0,0,0,0|1,0,1]=4 357 B15R2.1117 Cc1cccc(NCc2cscn2)c1 Amb18972442 [1,1,0,0,0,0|1,0,1]=4 358 B15R2.1117 Clc1cccc(NCc2ccco2)c1 Amb3489160 [1,1,0,0,0,0|2,0,0]=4 359 B15R2.1117 Clc1cccc(NCc2cccs2)c1 Amb4304339 [1,1,0,0,0,0|2,0,0]=4 360 B15R2.1117 Clc1cccc(NCc2ccno2)c1 Amb27419106 [1,1,0,0,0,0|2,0,0]=4 361 B15R2.1117 Clc1cccc(NCc2ccns2)c1 Amb35580045 [1,1,0,0,0,0|2,0,0]=4 362 B15R2.1117 Clc1cccc(NCc2ccsc2)c1 Amb6695675 [1,1,0,0,0,0|2,0,0]=4 363 B15R2.1117 Clc1cccc(NCc2cnco2)n1 Amb27172420 [1,1,0,0,0,0|2,0,0]=4 364 B15R2.1117 Clc1cccc(NCc2cncs2)c1 Amb18996508 [1,1,0,0,0,0|1,0,0]=3 365 B15R2.1117 Clc1cccc(NCc2cnsn2)c1 Amb27449444 [1,1,0,0,0,0|1,0,1]=4 366 B15R2.1117 Clc1cccc(NCc2ncno2)c1 Amb18290401 [1,1,0,0,0,0|1,0,1]=4 367 B15R2.1117 Clc1cncc(NCc2cnco2)c1 Amb29857834 [1,1,0,0,0,0|2,0,0]=4 368 B15R2.1117 Clc1cncc(NCc2cncs2)c1 Amb29864980 [1,1,0,0,0,0|2,0,0]=4 369 B15R2.1117 Fc1cccc(NCc2ccco2)c1 Amb6695787 [1,1,0,0,0,0|2,0,0]=4 370 B15R2.1117 Fc1cccc(NCc2cccs2)c1 Amb6695784 [1,1,0,0,0,0|2,0,0]=4 371 B15R2.1117 Fc1cccc(NCc2ccno2)c1 Amb27659800 [1,1,0,0,0,0|2,0,0]=4 372 B15R2.1117 Fc1cccc(NCc2ccns2)c1 Amb35733214 [1,1,0,0,0,0|2,0,0]=4 373 B15R2.1117 Fc1cccc(NCc2ccsc2)c1 Amb6695793 [1,1,0,0,0,0|2,0,0]=4 374 B15R2.1117 Fc1cccc(NCc2cncs2)c1 Amb18996509 [1,1,0,0,0,0|1,0,0]=3 375 B15R2.1117 Fc1cccc(NCc2cnsn2)c1 Amb27883092 [1,1,0,0,0,0|1,0,1]=4 376 B15R2.1117 Fc1cncc(NCc2cncs2)c1 Amb25712472 [1,1,0,0,0,0|2,0,0]=4 377 B15R2.1117 Ic1cccc(NCc2ccco2)c1 Amb9208173 [1,1,0,0,0,0|2,0,0]=4 378 B15R2.1117 Ic1cccc(NCc2cccs2)c1 Amb7760199 [1,1,0,0,0,0|2,0,0]=4 379 B15R2.1117 Ic1cccc(NCc2ccns2)c1 Amb35730864 [1,1,0,0,0,0|2,0,0]=4 380 B15R2.1117 Ic1cccc(NCc2ccsc2)c1 Amb7785400 [1,1,0,0,0,0|2,0,0]=4 381 B15R2.1117 Ic1cccc(NCc2cncs2)c1 Amb26852373 [1,1,0,0,0,0|1,0,0]=3 382 B15R2.1117 Ic1cccc(NCc2cnns2)c1 Amb27792520 [1,1,0,0,0,0|2,0,0]=4 383 B15R2.1117 Nc1cccc(NCc2ccco2)c1 Amb2499904 [1,1,0,0,0,0|2,0,0]=4 384 B15R2.1117 Nc1cccc(NCc2ccns2)c1 Amb35717058 [1,1,0,0,0,0|2,0,0]=4 385 B15R2.1117 Nc1cccc(NCc2ccoc2)c1 Amb27788702 [1,1,0,0,0,0|2,0,0]=4 386 B15R2.1117 Nc1cccc(NCc2cncs2)c1 Amb28134531 [1,1,0,0,0,0|1,0,0]=3 387 B15R2.1117 Nc1cccc(NCc2cocn2)c1 Amb27216919 [1,1,0,0,0,0|1,0,1]=4 388 B15R2.1117 Nc1cccc(NCc2cscn2)c1 Amb27395592 [1,1,0,0,0,0|1,0,1]=4 389 B15R2.1117 Nc1cccc(SCc2cncs2)c1 Amb27947617 [1,1,0,0,0,0|2,0,0]=4 390 B15R2.1117 Oc1cccc(NCc2ccns2)c1 Amb35742411 [1,1,0,0,0,0|2,0,0]=4 391 B15R2.131 COC(c1ccccc1)c2cnco2 Amb35647920 [0,1,0,0,1,0|2,0,0]=4 392 B15R2.297 CC(C1=CNC(=S)N1)c2ccccc2 Amb28245792 [0,1,0,0,1,0|1,0,1]=4 393 B15R2.297 CC(c1ccccc1)c2cnc(N)o2 Amb33082147 [0,1,0,0,1,0|2,0,0]=4 394 B15R2.297 CN(c1ccccc1)c2cnn(C)c2 Amb17967662 [0,1,0,0,1,0|2,0,0]=4 395 B15R2.297 CN(c1ccccc1)c2nnc(S)s2 Amb17406459 [0,1,0,0,1,0|2,0,0]=4 396 B15R2.297 Cc1ccc(N(C)c2ccccc2)o1 Amb27794270 [0,1,0,0,1,0|2,0,0]=4 397 B15R2.353 CC(N)(c1ccccc1)c2cncs2 Amb35640479 [0,1,0,0,1,0|2,0,0]=4 398 B15R2.353 CC(O)(c1ccccc1)c2cncs2 Amb35636378 [0,1,0,0,1,0|2,0,0]=4 399 B15R2.395 CN(c1ccccc1)c2nccn2C Amb27851117 [0,1,0,0,1,0|2,0,0]=4 400 B15R2.395 Cn1cncc1C(O)c2ccccc2 Amb1933531 [0,1,0,0,1,0|2,0,0]=4 401 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 Amb6357108 [0,1,0,0,0,1|2,0,0]=4 402 B17R2.162 NCC(Cc1cccnc1)c2ccccc2 Amb5733598 [0,1,0,0,0,1|2,0,0]=4 403 B17R2.162 NCC(Cc1ccncc1)c2ccccc2 Amb5733599 [0,1,0,0,0,1|2,0,0]=4 404 B17R2.162 OCC(Cc1cccnc1)c2ccccc2 Amb5748453 [0,1,0,0,0,1|2,0,0]=4 405 B17R2.162 OCC(Cc1ccncc1)c2ccccc2 Amb5748454 [0,1,0,0,0,1|2,0,0]=4 406 B17R2.192 CN(Cc1ccccc1)c2ccc(Br)cc2 Amb28138525 [0,1,0,0,0,1|2,0,0]=4 407 B17R2.192 CN(Cc1ccccc1)c2ccc(N)cc2 Amb6249305 [0,1,0,0,0,1|2,0,0]=4 408 B17R2.209 CN(Cc1ccc(N)cc1)c2ccccc2 Amb1119268 [0,1,0,0,0,1|2,0,0]=4 409 B17R2.3417 CN(Cc1ccccc1)c2ccccc2N Amb6249827 [0,1,0,0,0,1|2,0,0]=4 410 B17R2.3426 CN(Cc1ccccc1N)c2ccccc2 Amb6242622 [0,1,0,0,0,1|2,0,0]=4 411 B17R2.5273 CN(Cc1ccccc1)c2cccc(Cl)c2 Amb8629392 [0,1,0,0,0,1|2,0,0]=4 412 B17R2.5273 CN(Cc1ccccc1)c2cccc(N)c2 Amb8825408 [0,1,0,0,0,1|2,0,0]=4 413 B17R2.5293 CN(Cc1cccc(Br)c1)c2ccccc2 Amb33276209 [0,1,0,0,0,1|2,0,0]=4 414 B17R2.5293 CN(Cc1cccc(N)c1)c2ccccc2 Amb6248267 [0,1,0,0,0,1|2,0,0]=4 415 B17R2.10205 CN(C(=O)c1ccncc1)c2ccccc2 Amb6540866 [0,1,0,0,0,1|1,0,1]=4 416 B17R2.347 CN(Cc1ccc(N)cc1)Cc2ccco2 Amb9387904 [0,1,0,0,0,1|2,0,0]=4 417 B17R2.3229 CN(Cc1ccccc1)Cc2ccc(Br)o2 Amb11033506 [0,1,0,0,0,1|2,0,0]=4 418 B17R2.3229 CN(Cc1ccccc1)Cc2cnc(Cl)s2 Amb2407576 [0,1,0,0,0,1|1,0,0]=3 419 B17R2.3229 CN(Cc1ccccc1)Cc2cnc(N)s2 Amb17490449 [0,1,0,0,0,1|1,0,0]=3 420 B17R2.3229 CN(Cc1ccccc1)Cc2coc(Br)c2 Amb27185785 [0,1,0,0,0,1|2,0,0]=4 421 B17R2.3229 CN(Cc1ccccc1)Cc2nnc(N)s2 Amb17209812 [0,1,0,0,0,1|2,0,0]=4 422 B17R2.3372 CN(Cc1cccc(N)c1)Cc2ccco2 Amb9387905 [0,1,0,0,0,1|2,0,0]=4 423 B17R2.3372 CN(Cc1cccc(N)c1)Cc2cscn2 Amb19019676 [0,1,0,0,0,1|1,0,1]=4 424 B17R2.3241 CN(CCc1nnc(N)s1)c2ccccc2 Amb17209870 [0,1,0,0,0,1|2,0,0]=4 425 B17R2.3519 CC(NCc1cccn1C)c2ccccc2 Amb6861970 [0,1,0,0,0,1|2,0,0]=4 426 B17R2.18474 CN(CC(=O)c1cccs1)c2ccccc2 Amb9225616 [0,1,0,0,0,1|2,0,0]=4 427 B17R2.18474 CN(CC(O)c1ccco1)c2ccccc2 Amb17141019 [0,1,0,0,0,1|2,0,0]=4 428 B17R2.18474 CN(CC(O)c1cccs1)c2ccccc2 Amb17157599 [0,1,0,0,0,1|2,0,0]=4 429 B17R2.56 CN(Cc1cccs1)c2ccc(C=O)cc2 Amb9389033 [0,2,0,0,0,0|2,0,0]=4 430 B17R2.199 CN(Cc1cnn(C)c1)c2ccc(N)cc2 Amb22280336 [0,2,0,0,0,0|2,0,0]=4 431 B17R2.199 CN(Cc1cnn(C)c1)c2ccc(N)cc2 Amb35747488 [0,2,0,0,0,0|2,0,0]=4 432 B17R2.199 CN(Cc1cnn(C)c1)c2ccc(N)cc2 Amb6889381 [0,2,0,0,0,0|2,0,0]=4 433 B17R2.335 CN(Cc1ccco1)c2ccc(N)c(F)c2 Amb31109102 [0,2,0,0,0,0|2,0,0]=4 434 B17R2.6046 CCN(Cc1ccco1)c2cccc(N)c2 Amb17140960 [0,2,0,0,0,0|2,0,0]=4 435 B17R2.6046 CCN(Cc1cccs1)c2cccc(N)c2 Amb17157483 [0,2,0,0,0,0|2,0,0]=4 436 B17R2.2519 CN(Cc1csc(CN)n1)c2ccccc2 Amb17157604 [0,2,0,0,0,0|1,0,1]=4 437 B17R2.3346 CN(Cc1cc(N)nn1C)c2ccccc2 Amb24270532 [0,2,0,0,0,0|2,0,0]=4 438 B17R2.8653 CC(Cc1nnc(S)n1N)c2ccccc2 Amb9702548 [0,2,0,0,0,0|2,0,0]=4 439 B17R2.2298 CN(c1ccccc1)C(CN)c2cccs2 Amb1135079 [0,2,0,0,0,0|2,0,0]=4 440 B15R2.27 O=C1CN(c2ccccc2)CC(=O)N1 Amb843132 [0,0,1,1,0,0|2,0,0]=4 441 B15R2.2248 N#CC1=C(N)CN(c2ccccc2)C1 Amb28184193 [0,0,1,1,0,0|2,0,0]=4 442 B15R2.2226 CN(c1ccccc1)c2ccncc2 Amb18452400 [0,0,1,1,0,0|1,0,1]=4 443 B15R2.2226 CN(c1ccccc1)c2cncnc2 Amb17967661 [0,0,1,1,0,0|0,0,2]=4 444 B15R3.1701 c1ccc2c(c1)CC2c3cnco3 Amb35647933 [1,0,0,1,0,0|2,0,0]=4 445 B15R3.1739 c1cc-2c(cn1)NCc3nncn32 Amb18825307 [1,0,0,1,0,0|2,0,0]=4 446 B15R3.1739 c1cc2c(cn1)-n3cncc3CN2 Amb18825368 [1,0,0,1,0,0|1,0,0]=3 447 B15R3.1739 c1cc2n(c1)-c3ccncc3NC2 Amb18198618 [1,0,0,1,0,0|2,0,0]=4 448 B15R3.1739 c1ccc-2c(c1)NCc3cccn32 Amb20528821 [1,0,0,1,0,0|1,0,0]=3 449 B15R3.1739 c1ccc-2c(c1)NCc3ccnn32 Amb18825435 [1,0,0,1,0,0|2,0,0]=4 450 B15R3.1739 c1ccc-2c(c1)NCc3cncn32 Amb18560948 [1,0,0,1,0,0|0,0,0]=2 451 B15R3.1739 c1ccc-2c(c1)NCc3ncnn32 Amb27608619 [1,0,0,1,0,0|1,0,1]=4 452 B15R3.1739 c1ccc-2c(c1)NCc3nncn32 Amb27250048 [1,0,0,1,0,0|1,0,0]=3 453 B15R3.1739 c1ccc-2c(c1)NCc3scnc32 Amb18820765 [1,0,0,1,0,0|1,0,0]=3 454 B15R3.1739 c1ccc-2c(c1)NCc3snnc32 Amb18191055 [1,0,0,1,0,0|2,0,0]=4 455 B15R3.1739 c1ccc-2c(c1)NCn3ccnc32 Amb25247273 [1,0,0,1,0,0|2,0,0]=4 456 B15R3.1739 c1ccc-2c(c1)NCn3cncc32 Amb28066598 [1,0,0,1,0,0|2,0,0]=4 457 B15R3.1739 c1cnc-2c(c1)NCc3cccn32 Amb24651132 [1,0,0,1,0,0|2,0,0]=4 458 B15R3.1739 c1cnc2c(c1)-n3cccc3CN2 Amb18198619 [1,0,0,1,0,0|2,0,0]=4 459 B15R3.1739 c1cnc2c(c1)-n3cncc3CN2 Amb18198331 [1,0,0,1,0,0|1,0,0]=3 460 B15R3.1739 c1cnc2c(c1)-n3cnnc3CN2 Amb18825310 [1,0,0,1,0,0|2,0,0]=4 461 B15R3.173 Cn1c2c(c3ccccc31)CCN2 Amb18825340 [0,0,0,1,1,0|1,0,1]=4 462 B15R3.173 Cn1c2ccccc2n3cnnc13 Amb23580386 [0,0,0,1,1,0|1,0,0]=3 463 B15R3.173 O=C1c2ccccc2-n3cncc31 Amb28324389 [0,0,0,1,1,0|2,0,0]=4 464 B17R3.54631 CC1Cc2sc(Cl)nc2-c3ccccc31 Amb28364552 [0,1,0,1,0,0|2,0,0]=4 465 B13R1.47 C=CNC(=O)N(C)c1ccccc1 Amb27166159 [0,0,1,0,1,0|2,0,0]=4 466 B13R2.64 C1=C(Cc2ccccc2)NCC1 Amb17938862 [1,0,0,0,1,0|1,0,1]=4 467 B13R2.64 c1ccc(Cc2cccs2)cc1 Amb22045059 [1,0,0,0,1,0|2,0,0]=4 468 B13R2.64 c1ccc(Cc2ccoc2)cc1 Amb27748433 [1,0,0,0,1,0|2,0,0]=4 469 B13R2.64 c1ccc(Cc2cnco2)cc1 Amb22753568 [1,0,0,0,1,0|1,0,0]=3 470 B13R2.64 c1ccc(Cc2cscn2)cc1 Amb25758293 [1,0,0,0,1,0|1,0,1]=4 471 B13R2.64 c1ccc(Cn2ccnc2)cc1 Amb1815543 [1,0,0,0,1,0|2,0,0]=4 472 B13R2.64 c1ccc(Cn2cncn2)cc1 Amb843119 [1,0,0,0,1,0|1,0,1]=4 473 B13R2.64 c1ccc(Nc2ccco2)cc1 Amb27774843 [1,0,0,0,1,0|2,0,0]=4 474 B13R2.64 c1ccc(Nc2cccs2)cc1 Amb24394931 [1,0,0,0,1,0|2,0,0]=4 475 B13R2.64 c1ccc(Nc2ccsc2)cc1 Amb26974460 [1,0,0,0,1,0|2,0,0]=4 476 B13R2.64 c1ccc(Nc2ncns2)cc1 Amb27646563 [1,0,0,0,1,0|1,0,1]=4 477 B13R2.64 c1ccc(Nc2nncs2)cc1 Amb1152996 [1,0,0,0,1,0|2,0,0]=4 478 B13R2.64 c1ccc(Nn2cncn2)cc1 Amb28139485 [1,0,0,0,1,0|1,0,1]=4 479 B13R2.183 c1cc(NCc2cncs2)cs1 Amb27952362 [1,0,0,0,1,0|2,0,0]=4 480 B13R2.183 c1ncc(CNc2ccsc2)o1 Amb28429138 [1,0,0,0,1,0|2,0,0]=4 481 B15R2.2195 c1cc(NCc2cnccn2)ccn1 Amb35654935 [1,0,0,0,0,1|1,0,1]=4 482 B15R2.2195 c1ccc(CCc2ccncc2)cc1 Amb2612998 [1,0,0,0,0,1|2,0,0]=4 483 B15R2.2195 c1ccc(CCc2cnccn2)cc1 Amb15695191 [1,0,0,0,0,1|1,0,1]=4 484 B15R2.2195 c1ccc(CNc2ccccc2)cc1 Amb6355841 [1,0,0,0,0,1|2,0,0]=4 485 B15R2.2195 c1ccc(NCc2ccccn2)cc1 Amb6356069 [1,0,0,0,0,1|1,0,1]=4 486 B15R2.2195 c1ccc(NCc2cccnc2)cc1 Amb6356070 [1,0,0,0,0,1|1,0,0]=3 487 B15R2.2195 c1ccc(NCc2cccnc2)nc1 Amb2694194 [1,0,0,0,0,1|2,0,0]=4 488 B15R2.2195 c1ccc(NCc2ccncc2)cc1 Amb6356071 [1,0,0,0,0,1|1,0,0]=3 489 B15R2.2195 c1ccc(NCc2ccncc2)nc1 Amb6609621 [1,0,0,0,0,1|2,0,0]=4 490 B15R2.2195 c1ccc(NCc2cnccn2)nc1 Amb35635431 [1,0,0,0,0,1|1,0,1]=4 491 B15R2.2195 c1ccc(NCc2cncnc2)cc1 Amb18996444 [1,0,0,0,0,1|0,0,1]=3 492 B15R2.2195 c1ccc(NCc2cncnc2)nc1 Amb22749350 [1,0,0,0,0,1|1,0,1]=4 493 B15R2.2195 c1ccc(OCc2cccnc2)cc1 Amb27465872 [1,0,0,0,0,1|2,0,0]=4 494 B15R2.2195 c1ccc(OCc2ccncc2)cc1 Amb27217814 [1,0,0,0,0,1|2,0,0]=4 495 B15R2.2195 c1ccc(OCc2cnccn2)cc1 Amb35700555 [1,0,0,0,0,1|1,0,1]=4 496 B15R2.2195 c1ccc(SCc2cccnc2)cc1 Amb10632429 [1,0,0,0,0,1|2,0,0]=4 497 B15R2.2195 c1cncc(CNc2cccnc2)c1 Amb6686503 [1,0,0,0,0,1|2,0,0]=4 498 B15R2.2195 c1cncc(CNc2ccncc2)c1 Amb6614340 [1,0,0,0,0,1|2,0,0]=4 499 B15R2.2195 c1cncc(NCc2ccncc2)c1 Amb6686507 [1,0,0,0,0,1|2,0,0]=4 500 B15R2.2195 c1cncc(NCc2cncnc2)c1 Amb18996446 [1,0,0,0,0,1|1,0,1]=4 501 B15R2.2196 c1ccc(CNCc2ccco2)cc1 Amb6335661 [1,0,0,0,0,1|2,0,0]=4 502 B15R2.2196 c1ccc(CNCc2ccco2)cc1 Amb6880630 [1,0,0,0,0,1|2,0,0]=4 503 B15R2.2196 c1ccc(CNCc2cccs2)cc1 Amb24121220 [1,0,0,0,0,1|2,0,0]=4 504 B15R2.2196 c1ccc(CNCc2cccs2)cc1 Amb838211 [1,0,0,0,0,1|2,0,0]=4 505 B15R2.2196 c1ccc(CNCc2ccoc2)cc1 Amb19006886 [1,0,0,0,0,1|2,0,0]=4 506 B15R2.2196 c1ccc(CNCc2cnco2)cc1 Amb19013447 [1,0,0,0,0,1|1,0,0]=3 507 B15R2.2196 c1ccc(CNCc2cncs2)cc1 Amb19030208 [1,0,0,0,0,1|1,0,0]=3 508 B15R2.2196 c1ccc(CNCc2nnco2)cc1 Amb28454849 [1,0,0,0,0,1|2,0,0]=4 509 B15R2.2196 c1ccc(COCc2cncs2)cc1 Amb2407241 [1,0,0,0,0,1|2,0,0]=4 510 B15R2.2196 c1ccc(NCCc2ccco2)cc1 Amb28135300 [1,0,0,0,0,1|2,0,0]=4 511 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 Amb1925683 [0,0,0,0,0,2|2,0,0]=4 512 B17R2.2342 CC(NCc1cccnc1)c2ccccc2 Amb837833 [0,0,0,0,0,2|2,0,0]=4 513 B17R2.2342 CC(NCc1ccncc1)c2ccccc2 Amb1551290 [0,0,0,0,0,2|2,0,0]=4 514 B17R2.2342 CN(CCc1ccccn1)c2ccccc2 Amb24096770 [0,0,0,0,0,2|1,0,1]=4