0 B11R2.2 C1=C(CCC1)c2cnco2 AIFCHEM-6301534815 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.2 C1=C(CCC1)c2ncco2 AIFCHEM-6486103500 [0,0,0,0,0,0|2,0,2]=4 2 B11R2.2 C1=C(CCO1)c2nncs2 AIFCHEM-6376059505 [0,0,0,0,0,0|2,1,1]=4 3 B11R2.2 C1=C(COC1)c2ncco2 AIFCHEM-6474002192 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.2 C1=C(COC1)c2nncs2 AIFCHEM-6344759884 [0,0,0,0,0,0|2,1,1]=4 5 B11R2.2 c1c[nH]c(n1)c2cnco2 AIFCHEM-6348944321 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.2 c1cc([nH]n1)c2cc[nH]c2 AIFCHEM-6325690465 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.2 c1cc(c[nH]1)c2cncs2 AIFCHEM-6382932246 [0,0,0,0,0,0|3,1,0]=4 8 B11R2.2 c1cc(c[nH]1)c2nncs2 AIFCHEM-6336639514 [0,0,0,0,0,0|2,1,0]=3 9 B11R2.2 c1cc(co1)c2cnco2 AIFCHEM-6325792783 [0,0,0,0,0,0|3,0,0]=3 10 B11R2.2 c1cc(co1)c2cncs2 AIFCHEM-6341535279 [0,0,0,0,0,0|3,1,0]=4 11 B11R2.2 c1cc(cs1)c2ccsn2 AIFCHEM-6321125731 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.2 c1cc(sn1)c2ccoc2 AIFCHEM-6406959794 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.2 c1cc(sn1)c2ccsc2 AIFCHEM-6392213014 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.2 c1coc(c1)c2ncn[nH]2 AIFCHEM-94535585098 [0,0,0,0,0,0|2,0,1]=3 15 B11R2.2 c1csc(n1)c2cc[nH]c2 AIFCHEM-6335877082 [0,0,0,0,0,0|3,1,0]=4 16 B11R2.2 c1nnc(s1)c2cn[nH]c2 AIFCHEM-6324317613 [0,0,0,0,0,0|3,1,0]=4 17 B12R2.6 Cc1cc(cs1)c2ncco2 AIFCHEM-6333586668 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.6 Cc1cc(n[nH]1)c2ncco2 AIFCHEM-6333480207 [0,1,0,0,0,0|2,0,1]=4 19 B12R2.6 Cc1nnc(o1)c2ccco2 AIFCHEM-94583462658 [0,1,0,0,0,0|1,0,0]=2 20 B12R2.6 Cc1nnc(o1)c2cn[nH]c2 AIFCHEM-94583461021 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.6 Cn1ccc(c1)c2ncco2 AIFCHEM-6292925415 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.6 Cn1ccc(n1)c2nncs2 AIFCHEM-6373001160 [0,1,0,0,0,0|1,1,1]=4 23 B12R2.6 O=C1C=C(CC1)c2cnco2 AIFCHEM-6331071127 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.6 O=C1C=C(CC1)c2ncco2 AIFCHEM-6309213823 [0,1,0,0,0,0|2,0,1]=4 25 B12R2.10 Cc1c[nH]nc1c2ccn[nH]2 AIFCHEM-94528800181 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.10 Cc1c[nH]nc1c2cnco2 AIFCHEM-94528806417 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.10 Cn1ccnc1c2ncc[nH]2 AIFCHEM-6289207188 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.10 Cn1cncc1c2ccns2 AIFCHEM-6407065002 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.10 Cn1cncc1c2ccon2 AIFCHEM-6389901979 [0,1,0,0,0,0|3,0,0]=4 30 B12R2.10 Cn1cncc1c2ccsn2 AIFCHEM-6369464027 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.10 Cn1cncc1c2ncns2 AIFCHEM-6379347758 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.10 Cn1cncc1c2nncs2 AIFCHEM-6373037473 [0,1,0,0,0,0|1,1,0]=3 33 B12R2.2 c1cc(ccn1)c2ccns2 AIFCHEM-6419251283 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.2 c1cc(ccn1)c2cnco2 AIFCHEM-6302151829 [0,0,0,0,0,1|2,0,0]=3 35 B12R2.2 c1cc(ncn1)c2cc[nH]c2 AIFCHEM-6330823665 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.2 c1cc(ncn1)c2ccoc2 AIFCHEM-6313565287 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.2 c1cnc(nc1)c2ncc[nH]2 AIFCHEM-6353145309 [0,0,0,0,0,1|2,0,1]=4 38 B12R2.2 c1cncc(c1)c2ncco2 AIFCHEM-94520909096 [0,0,0,0,0,1|1,0,1]=3 39 B13R2.10 Cc1nnc(o1)C2=CCCNC2 AIFCHEM-94583462088 [0,1,0,0,0,1|0,0,2]=4 40 B13R2.12 Cc1ccc(cn1)c2cnco2 AIFCHEM-6331111284 [0,1,0,0,0,1|1,0,1]=4 41 B13R2.12 Cc1ccc(cn1)c2ncco2 AIFCHEM-94583767906 [0,1,0,0,0,1|1,0,1]=4 42 B13R2.12 Fc1ccc(cc1)c2nncs2 AIFCHEM-6295664678 [0,1,0,0,0,1|1,1,0]=4 43 B13R2.12 Nc1ccc(cc1)c2nncs2 AIFCHEM-94554746415 [0,1,0,0,0,1|1,1,0]=4 44 B13R2.12 O=c1ccc(c[nH]1)c2ccon2 AIFCHEM-6421673093 [0,1,0,0,0,1|2,0,0]=4 45 B13R2.12 O=c1ccc(c[nH]1)c2ncns2 AIFCHEM-6379308300 [0,1,0,0,0,1|2,0,0]=4 46 B13R2.12 O=c1ncc(c[nH]1)c2cnco2 AIFCHEM-6364311602 [0,1,0,0,0,1|2,0,0]=4 47 B13R2.12 Oc1ccc(cc1)c2cnco2 AIFCHEM-6325440999 [0,1,0,0,0,1|2,0,0]=4 48 B13R2.12 Oc1ccc(cc1)c2nncs2 AIFCHEM-6295984477 [0,1,0,0,0,1|1,1,0]=4 49 B13R2.13 Cc1cc(ccn1)c2ncco2 AIFCHEM-6412535951 [0,1,0,0,0,1|2,0,0]=4 50 B13R2.13 Cc1cc(cnn1)c2ccco2 AIFCHEM-94557633007 [0,1,0,0,0,1|2,0,0]=4 51 B13R2.13 Cc1cccc(c1)c2cnco2 AIFCHEM-6363931100 [0,1,0,0,0,1|2,0,0]=4 52 B13R2.13 Fc1cccc(c1)c2ncco2 AIFCHEM-6412754591 [0,1,0,0,0,1|2,0,0]=4 53 B13R2.13 Nc1cccc(c1)c2cnco2 AIFCHEM-6348527153 [0,1,0,0,0,1|2,0,0]=4 54 B13R2.13 Nc1cncc(c1)c2ncco2 AIFCHEM-6292243729 [0,1,0,0,0,1|1,0,1]=4 55 B13R2.13 Oc1cncc(c1)c2ncco2 AIFCHEM-6398932031 [0,1,0,0,0,1|1,0,1]=4 56 B13R2.13 Oc1cncc(c1)c2nncs2 AIFCHEM-6323984851 [0,1,0,0,0,1|0,1,1]=4 57 B13R2.15 Cn1cncc1c2cccnn2 AIFCHEM-6295473539 [0,1,0,0,0,1|2,0,0]=4 58 B13R2.15 Cn1cnnc1c2ccncc2 AIFCHEM-6444460346 [0,1,0,0,0,1|2,0,0]=4 59 B13R2.18 Fc1ccccc1c2ncco2 AIFCHEM-6366024601 [0,1,0,0,0,1|2,0,0]=4 60 B13R2.18 Fc1cnccc1c2cnco2 AIFCHEM-6326312621 [0,1,0,0,0,1|2,0,0]=4 61 B13R2.18 Fc1cnccc1c2ncco2 AIFCHEM-6366251977 [0,1,0,0,0,1|2,0,0]=4 62 B13R2.18 O=c1[nH]cccc1c2cncs2 AIFCHEM-6364085401 [0,1,0,0,0,1|1,1,0]=4 63 B13R2.18 O=c1[nH]cccc1c2ncns2 AIFCHEM-6300863094 [0,1,0,0,0,1|2,0,0]=4 64 B13R2.18 Oc1ccccc1c2nncs2 AIFCHEM-6336301774 [0,1,0,0,0,1|1,1,0]=4 65 B13R2.4 O=Cc1coc(n1)c2ccco2 AIFCHEM-94571027371 [0,2,0,0,0,0|2,0,0]=4 66 B13R2.11 Cc1nnc(o1)c2ccn(n2)C AIFCHEM-94583460236 [0,2,0,0,0,0|1,0,1]=4 67 B13R2.144 Cc1nnc([nH]1)c2cncn2C AIFCHEM-6328073466 [0,2,0,0,0,0|2,0,0]=4 68 B13R2.144 Cc1nnc(o1)c2ccsc2C AIFCHEM-94583461836 [0,2,0,0,0,0|2,0,0]=4 69 B13R2.144 Cc1nnc(o1)c2cncn2C AIFCHEM-94583463902 [0,2,0,0,0,0|1,0,0]=3 70 B13R2.183 c1cc([nH]n1)NCc2cnco2 AIFCHEM-94519985525 [0,0,0,0,0,2|2,0,0]=4 71 B13R2.183 c1coc(c1)CNc2nnco2 AIFCHEM-94540086488 [0,0,0,0,0,2|1,0,0]=3 72 B14R2.24 O=c1[nH]cccc1c2cccnn2 AIFCHEM-6367711221 [0,1,0,0,0,2|1,0,0]=4 73 B14R2.68 O=c1ccc(c[nH]1)c2cccnn2 AIFCHEM-6335352936 [0,1,0,0,0,2|1,0,0]=4 74 B14R2.252 Cc1nnc(o1)NCc2ccco2 AIFCHEM-94540088014 [0,1,0,0,0,2|1,0,0]=4 75 B14R2.252 Cc1nnc(o1)NCc2cccs2 AIFCHEM-5865656836 [0,1,0,0,0,2|1,0,0]=4 76 B14R2.793 O=C(Nc1nnco1)c2ccco2 AIFCHEM-6202444106 [0,1,0,0,0,2|1,0,0]=4 77 B14R2.20 Cc1ccc(cc1)c2nnc(o2)C AIFCHEM-94583461959 [0,2,0,0,0,1|1,0,0]=4 78 B14R2.20 Cc1nnc(o1)c2ccc(cc2)O AIFCHEM-94583461743 [0,2,0,0,0,1|1,0,0]=4 79 B14R2.20 Cc1nnc(o1)c2ccc(nc2)O AIFCHEM-94583463717 [0,2,0,0,0,1|0,0,1]=4 80 B14R2.22 Cc1nnc(o1)c2cccc(c2)N AIFCHEM-94545958011 [0,2,0,0,0,1|1,0,0]=4 81 B14R2.22 Cc1nnc(o1)c2ccnc(c2)N AIFCHEM-94583463713 [0,2,0,0,0,1|1,0,0]=4 82 B14R2.22 Cc1nnc(o1)c2cncc(c2)F AIFCHEM-94583463062 [0,2,0,0,0,1|0,0,1]=4 83 B14R2.22 Cc1nnc(o1)c2cncc(c2)O AIFCHEM-94583460794 [0,2,0,0,0,1|0,0,1]=4 84 B14R2.256 Cc1nnc(o1)c2ccccc2O AIFCHEM-94583463691 [0,2,0,0,0,1|1,0,0]=4 85 B14R2.256 Cc1nnc(s1)c2ccc[nH]c2=O AIFCHEM-6358865877 [0,2,0,0,0,1|0,1,0]=4 86 B14R2.296 Cn1cnnc1c2ccc[nH]c2=O AIFCHEM-6448694606 [0,2,0,0,0,1|1,0,0]=4 87 B14R2.9 Cc1nnc(o1)c2ccc(o2)C=O AIFCHEM-94583462425 [0,3,0,0,0,0|1,0,0]=4 88 B14R2.9 Cc1nnc(o1)c2ccc(o2)CO AIFCHEM-94583461036 [0,3,0,0,0,0|1,0,0]=4 89 B14R2.101 c1cnc(nc1)CNc2nnco2 AIFCHEM-6226957800 [0,0,0,0,0,3|0,0,1]=4 90 B14R2.101 c1cncc(c1)CNc2nnco2 AIFCHEM-6244634749 [0,0,0,0,0,3|0,0,1]=4