0 B15R2.1259 CC(=Cc1ccsc1)c2ccccc2 AIFCHEM-94522741361 [1,0,0,0,0,0|2,0,1]=4 1 B15R2.1259 CC(=Cc1ccsn1)c2ccccc2 AIFCHEM-94522751717 [1,0,0,0,0,0|2,0,1]=4 2 B17R2.21294 CC(=O)N(Cc1ccco1)c2ccccc2 AIFCHEM-98288891290 [0,1,0,0,0,0|1,0,1]=3 3 B17R2.21294 CC(=O)N(Cc1ccco1)c2cccnc2 AIFCHEM-99350775788 [0,1,0,0,0,0|2,0,1]=4 4 B17R2.21294 CC(=O)N(Cc1cccs1)c2ccccc2 AIFCHEM-98287761728 [0,1,0,0,0,0|1,1,1]=4 5 B17R2.21294 CC(=O)N(Cc1ncco1)c2ccccc2 AIFCHEM-99350817477 [0,1,0,0,0,0|2,0,1]=4 6 B17R3.1941 c1cc(ccn1)c2ccc3cc[nH]c3c2 AIFCHEM-94530061573 [0,0,0,1,0,0|3,0,0]=4 7 B17R3.1941 c1cc(ccn1)c2ccc3ncoc3c2 AIFCHEM-6377165158 [0,0,0,1,0,0|3,0,0]=4 8 B17R3.1941 c1ccc(cc1)c2ccc3ccnn3c2 AIFCHEM-94590916374 [0,0,0,1,0,0|3,0,0]=4 9 B17R3.1941 c1ccc(cc1)c2ccc3ccoc3c2 AIFCHEM-94590918302 [0,0,0,1,0,0|1,0,0]=2 10 B17R3.1941 c1ccc(cc1)c2ccc3sccc3c2 AIFCHEM-94590917650 [0,0,0,1,0,0|3,0,0]=4 11 B17R3.1941 c1ccc(cc1)c2ccc3scnc3c2 AIFCHEM-94590914926 [0,0,0,1,0,0|3,0,0]=4 12 B17R3.1941 c1ccc(cc1)c2cnc3ccnn3c2 AIFCHEM-6323190504 [0,0,0,1,0,0|3,0,0]=4 13 B17R3.1941 c1ccc(nc1)c2ccc3cc[nH]c3c2 AIFCHEM-6370033001 [0,0,0,1,0,0|3,0,0]=4 14 B14R2.101 C(=Cc1cccs1)c2ccccc2 AIFCHEM-6429290704 [2,0,0,0,0,0|0,1,0]=3 15 B14R2.101 C(=Cc1cccs1)c2cccnc2 AIFCHEM-6456339006 [2,0,0,0,0,0|1,1,0]=4 16 B14R2.101 C(=Cc1ccoc1)c2ccccc2 AIFCHEM-94568526419 [2,0,0,0,0,0|2,0,0]=4 17 B14R2.101 C(=Cc1cnco1)c2cccnc2 AIFCHEM-6301499814 [2,0,0,0,0,0|2,0,0]=4 18 B14R2.101 C(=Cc1nccs1)c2ccccc2 AIFCHEM-94568527628 [2,0,0,0,0,0|1,1,0]=4 19 B16R2.125 O=C(Nc1ccno1)c2ccc(cc2)Cl AIFCHEM-94519625156 [1,1,0,0,0,0|2,0,0]=4 20 B16R2.243 CC(=Cc1cnco1)c2cccc(c2)C AIFCHEM-94604079428 [1,1,0,0,0,0|1,0,1]=4 21 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)Br AIFCHEM-98288857288 [0,2,0,0,0,0|1,0,1]=4 22 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)F AIFCHEM-94685462235 [0,2,0,0,0,0|1,0,1]=4 23 B18R2.92911 CC(=O)N(Cc1ccco1)c2ccc(cc2)I AIFCHEM-98288714728 [0,2,0,0,0,0|1,0,1]=4 24 B18R2.21284 C#CC(=O)N(Cc1ccco1)c2ccccc2 AIFCHEM-96333368172 [0,2,0,0,0,0|1,0,1]=4 25 B18R2.21284 CCC(=O)N(Cc1ccco1)c2ccccc2 AIFCHEM-95157836296 [0,2,0,0,0,0|1,0,1]=4 26 B18R2.21284 O=C(CO)N(Cc1ccco1)c2ccccc2 AIFCHEM-100298626087 [0,2,0,0,0,0|1,0,1]=4 27 B18R2.29833 CC(=O)N(Cc1cc(co1)Br)c2ccccc2 AIFCHEM-94685568933 [0,2,0,0,0,0|1,0,1]=4 28 B18R2.29833 CC(=O)N(Cc1ccc(o1)C)c2ccccc2 AIFCHEM-94685587248 [0,2,0,0,0,0|1,0,1]=4 29 B18R2.29833 CC(=O)N(Cc1ccc(o1)Cl)c2ccccc2 AIFCHEM-94686396283 [0,2,0,0,0,0|1,0,1]=4 30 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)Br AIFCHEM-94685145776 [0,2,0,0,0,0|1,0,1]=4 31 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)C AIFCHEM-98287878310 [0,2,0,0,0,0|1,0,1]=4 32 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)Cl AIFCHEM-94535597069 [0,2,0,0,0,0|1,0,1]=4 33 B18R2.31166 CC(=O)N(Cc1ccco1)c2cccc(c2)I AIFCHEM-99350728753 [0,2,0,0,0,0|1,0,1]=4 34 B18R2.32739 CC(=O)N(Cc1ccco1)c2ccccc2C AIFCHEM-98288886863 [0,2,0,0,0,0|1,0,1]=4 35 B16R2.7 CC=Cc1ccc(cn1)c2ccccc2 AIFCHEM-6482959126 [0,0,1,1,0,0|2,0,0]=4 36 B16R2.119700 CC=Cc1ccc(c2c1cccc2)C=O AIFCHEM-6398293810 [0,0,1,1,0,0|1,0,0]=3 37 B16R2.27 COc1ccc(c(c1)c2ccccc2)N AIFCHEM-6346300743 [0,0,1,1,0,0|1,0,1]=4 38 B16R3.5988 c1ccc(cc1)c2cc3ccsc3s2 AIFCHEM-94586841829 [1,0,0,1,0,0|1,1,0]=4 39 B16R3.5988 c1ccc(cc1)c2cc3sccc3s2 AIFCHEM-6362085794 [1,0,0,1,0,0|0,2,0]=4 40 B16R3.8 c1ccc2c(c[nH]c2c1)c3cnco3 AIFCHEM-6348909487 [0,0,0,1,1,0|2,0,0]=4 41 B16R3.8 c1ccc2c(coc2c1)c3cnco3 AIFCHEM-6325683910 [0,0,0,1,1,0|1,0,1]=4 42 B16R3.8 c1ccc2c(csc2c1)c3ncco3 AIFCHEM-6412493947 [0,0,0,1,1,0|1,1,0]=4 43 B16R3.8 c1csc(c1)c2c[nH]c3c2cccc3 AIFCHEM-6426029867 [0,0,0,1,1,0|1,1,0]=4 44 B16R3.8 c1csc(c1)c2coc3c2cccc3 AIFCHEM-94564041327 [0,0,0,1,1,0|0,1,1]=4 45 B16R3.1779 c1cc(co1)c2ccc3ccoc3c2 AIFCHEM-6450745380 [0,0,0,1,1,0|2,0,0]=4 46 B18R3.2123 c1ccc(cc1)c2ccc3ccncc3c2 AIFCHEM-94590914981 [0,0,0,1,0,1|2,0,0]=4 47 B18R3.2972 Fc1ccc(cc1)c2ccc3ccoc3c2 AIFCHEM-6426794747 [0,1,0,1,0,0|1,0,0]=3 48 B18R3.2972 Nc1ccc(cc1)c2ccc3ccoc3c2 AIFCHEM-94554737966 [0,1,0,1,0,0|1,0,0]=3 49 B18R3.2972 Oc1ccc(cc1)c2ccc3ccsc3c2 AIFCHEM-6389423562 [0,1,0,1,0,0|1,1,0]=4 50 B18R3.2972 Oc1ccc(cc1)c2cnc3ncoc3c2 AIFCHEM-6300812521 [0,1,0,1,0,0|2,0,0]=4 51 B18R3.3026 Cc1cccc(c1)c2ccc3ncoc3c2 AIFCHEM-94543495239 [0,1,0,1,0,0|2,0,0]=4 52 B18R3.3026 Fc1cccc(c1)c2ccc3cc[nH]c3c2 AIFCHEM-6477284573 [0,1,0,1,0,0|2,0,0]=4 53 B18R3.3026 Nc1cccc(c1)c2ccc3ccoc3c2 AIFCHEM-6398553270 [0,1,0,1,0,0|1,0,0]=3 54 B18R3.3026 Nc1cccc(c1)c2ccc3ncoc3c2 AIFCHEM-5652739885 [0,1,0,1,0,0|2,0,0]=4 55 B18R3.3026 Nc1cccc(c1)c2cnc3ncoc3c2 AIFCHEM-6307580268 [0,1,0,1,0,0|2,0,0]=4 56 B18R3.171 Fc1cc2ncoc2cc1c3ccccc3 AIFCHEM-94578387513 [0,1,0,1,0,0|2,0,0]=4 57 B18R3.3958 Cc1ccccc1c2ccc3ccsc3c2 AIFCHEM-6470692521 [0,1,0,1,0,0|1,1,0]=4 58 B18R3.3958 O=c1[nH]cccc1c2ccc3ccoc3c2 AIFCHEM-94605717708 [0,1,0,1,0,0|2,0,0]=4 59 B16R2.88 CC(=Cc1cccnc1)c2ccccc2 AIFCHEM-94522741858 [1,0,0,0,0,1|1,0,1]=4 60 B16R2.88 CC(=Cc1ccncc1)c2ccccc2 AIFCHEM-94603945660 [1,0,0,0,0,1|1,0,1]=4 61 B16R2.524 O=C(Cc1ccco1)Nc2ccncc2 AIFCHEM-94533899795 [1,0,0,0,0,1|1,0,1]=4