0 B21R2.257631 O=C(CCCCc1ccccc1)NCc2ccccc2 AIFCHEM-94539155535 [0,0,0,0,0,0|2,0,1]=3 1 B21R2.257631 O=C(CCCCc1ccccc1)NCc2ccccn2 AIFCHEM-5740434839 [0,0,0,0,0,0|3,0,1]=4 2 B21R2.257631 O=C(CCOCc1ccccc1)NCc2ccccc2 AIFCHEM-94554639467 [0,0,0,0,0,0|3,0,1]=4 3 B22R2.4392 O=C(CCc1ccccc1)NCCCc2ccc(cc2)Br AIFCHEM-5866667503 [0,1,0,0,0,0|1,0,2]=4 4 B22R2.202375 O=C(CCCCc1ccccc1)NCc2ccccc2O AIFCHEM-94592070302 [0,1,0,0,0,0|2,0,1]=4 5 B22R3.32540 Oc1ccc2ccccc2c1CNCc3ccccc3 AIFCHEM-94539150083 [0,0,0,1,0,0|2,0,1]=4 6 B22R3.63902 O=C(CSc1ccccc1)N[C@@H]2C[C@H]2c3ccccc3 AIFCHEM-94600933747 [0,0,0,1,0,0|2,0,1]=4 7 B22R3.63902 O=C(CSc1ccccc1)N[C@H]2C[C@@H]2c3ccccc3 AIFCHEM-5967306572 [0,0,0,1,0,0|2,0,1]=4 8 B22R3.63943 O=C(NCc1ccccc1)C2CCCc3c2cccc3 AIFCHEM-5834235244 [0,0,0,1,0,0|2,0,1]=4 9 B22R3.63943 O=C(NCc1ccccc1)[C@@H]2CCCc3c2cccc3 AIFCHEM-94539155603 [0,0,0,1,0,0|2,0,1]=4 10 B22R3.63943 O=C(NCc1ccccc1)[C@H]2CCCc3c2cccc3 AIFCHEM-5867902702 [0,0,0,1,0,0|2,0,1]=4 11 B22R3.74239 c1ccc(cc1)CCCNc2ccc3ccccc3n2 AIFCHEM-5823391394 [0,0,0,1,0,0|2,0,0]=3 12 B22R3.74239 c1ccc(cc1)CCCNc2cnc3ccccc3c2 AIFCHEM-94605758462 [0,0,0,1,0,0|3,0,0]=4 13 B20R2.10810 O=C(CCCCc1ccccc1)Nc2ccncc2 AIFCHEM-94533899225 [0,0,0,0,1,0|3,0,0]=4 14 B20R2.174735 O=C(COCc1ccccc1)NCc2ccccc2 AIFCHEM-94554639669 [0,0,0,0,1,0|2,0,1]=4 15 B22R2.360319 O=C(CSc1ccccc1)NCCCCc2ccccc2 AIFCHEM-5738423106 [0,0,0,0,0,1|2,0,1]=4 16 B21R2.18998 O=C(CCCCc1ccc(cc1)O)Nc2ccccc2 AIFCHEM-94552044541 [0,1,0,0,1,0|2,0,0]=4 17 B21R2.19850 O=C(CCCCc1ccccc1)Nc2ccc(cc2)Br AIFCHEM-94608724607 [0,1,0,0,1,0|2,0,0]=4 18 B21R2.19850 O=C(CCCCc1ccccc1)Nc2ccc(cc2)F AIFCHEM-94540071279 [0,1,0,0,1,0|2,0,0]=4 19 B21R2.142835 O=C(CCCCc1ccccc1)Nc2ccccc2I AIFCHEM-5922026573 [0,1,0,0,1,0|2,0,0]=4 20 B21R2.142835 O=C(CCCCc1ccccc1)Nc2ccccc2O AIFCHEM-94521343948 [0,1,0,0,1,0|2,0,0]=4 21 B21R2.4848 O=C(CCCc1ccccc1)NCc2ccccc2O AIFCHEM-94592069281 [0,1,0,0,1,0|1,0,1]=4 22 B21R2.4852 O=C(CCCc1ccccc1Cl)NCc2ccccc2 AIFCHEM-94539159050 [0,1,0,0,1,0|1,0,1]=4 23 B21R2.4852 O=C(CCCc1ccccc1O)NCc2ccccc2 AIFCHEM-94554640108 [0,1,0,0,1,0|1,0,1]=4 24 B23R2.12185 Cc1ccccc1OCCNC(=O)C/C=C/c2ccccc2 AIFCHEM-94592671621 [0,1,0,0,0,1|2,0,0]=4 25 B23R2.26029 Cc1ccc(cc1)OCCNC(=O)C/C=C/c2ccccc2 AIFCHEM-6094305722 [0,1,0,0,0,1|2,0,0]=4 26 B23R2.26029 O=C(C/C=C/c1ccccc1)NCCCc2ccc(cc2)Br AIFCHEM-5815982155 [0,1,0,0,0,1|1,0,0]=3 27 B23R2.26029 O=C(C/C=C/c1ccccc1)NCCOc2ccc(cc2)Br AIFCHEM-5598652681 [0,1,0,0,0,1|2,0,0]=4 28 B23R2.26029 O=C(C/C=C/c1cccnc1)NCCCc2ccc(cc2)Br AIFCHEM-94572201529 [0,1,0,0,0,1|2,0,0]=4 29 B23R2.26029 O=C(C/C=C/c1cccnc1)NCCCc2ccc(cc2)Cl AIFCHEM-94572198954 [0,1,0,0,0,1|2,0,0]=4 30 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 AIFCHEM-5815474432 [0,0,0,1,1,0|2,0,0]=4 31 B23R3.4584 c1ccc(cc1)CCCNc2ccc(s2)c3ccccc3 AIFCHEM-6120471262 [0,0,0,1,0,1|1,1,0]=4 32 B23R3.4584 c1ccc(cc1)CCCNc2ncc([nH]2)c3ccccc3 AIFCHEM-5876142817 [0,0,0,1,0,1|2,0,0]=4 33 B23R3.50908 O=C(NCCCc1cccnc1)c2c[nH]c3c2cccc3 AIFCHEM-5799659665 [0,0,0,1,0,1|2,0,0]=4 34 B23R3.50908 O=C(NCCCc1cccnc1)c2csc3c2cccc3 AIFCHEM-5795336428 [0,0,0,1,0,1|2,0,0]=4 35 B23R3.938326 O=C(C/C=C/c1ccccc1)N2CCCc3c2cccn3 AIFCHEM-6202723749 [0,0,0,1,0,1|2,0,0]=4 36 B23R3.938332 O=C(C/C=C/c1ccccc1)NC2CCc3c2nccc3 AIFCHEM-94592666277 [0,0,0,1,0,1|2,0,0]=4 37 B23R3.45333 Cc1ccc2ccccc2c1NCCCc3ccccc3 AIFCHEM-5615885647 [0,0,0,1,0,1|2,0,0]=4 38 B23R3.45333 Clc1ccc2ccccc2c1NCCCc3ccccc3 AIFCHEM-5992640074 [0,0,0,1,0,1|2,0,0]=4 39 B23R3.1301656 Brc1ccc(cc1)CCCNc2ccc3ccccc3n2 AIFCHEM-5869673632 [0,1,0,1,0,0|2,0,0]=4 40 B23R3.141343 Brc1ccc2ccc(cc2c1)NCCCc3ccccc3 AIFCHEM-6177568356 [0,1,0,1,0,0|2,0,0]=4 41 B23R3.141343 Brc1ccc2ccc(nc2c1)NCCCc3ccccc3 AIFCHEM-5613831132 [0,1,0,1,0,0|2,0,0]=4 42 B23R3.141343 Cc1ccc2ccc(cc2c1)NCCCc3ccccc3 AIFCHEM-5979026888 [0,1,0,1,0,0|2,0,0]=4 43 B23R3.141343 Oc1ccc2ccc(cc2c1)NCCCc3ccccc3 AIFCHEM-6158011704 [0,1,0,1,0,0|2,0,0]=4 44 B23R3.674139 Brc1cccc2c1ccc(n2)NCCCc3ccccc3 AIFCHEM-5768106106 [0,1,0,1,0,0|2,0,0]=4 45 B23R3.141936 Brc1ccc2cc(ccc2c1)NCCCc3ccccc3 AIFCHEM-5700268577 [0,1,0,1,0,0|2,0,0]=4 46 B23R3.141936 Brc1ccc2nc(ccc2c1)NCCCc3ccccc3 AIFCHEM-5780311192 [0,1,0,1,0,0|2,0,0]=4 47 B23R3.15975500 Brc1cccc2c1cc(cc2)NCCCc3ccccc3 AIFCHEM-5799978963 [0,1,0,1,0,0|2,0,0]=4 48 B23R3.15975500 Oc1cccc2c1nc(cc2)NCCCc3ccccc3 AIFCHEM-6089427120 [0,1,0,1,0,0|2,0,0]=4 49 B23R3.40525 Brc1cc2ccccc2cc1NCCCc3ccccc3 AIFCHEM-94543821370 [0,1,0,1,0,0|2,0,0]=4 50 B23R3.40525 Clc1cc2ccccc2cc1NCCCc3ccccc3 AIFCHEM-94596720237 [0,1,0,1,0,0|2,0,0]=4 51 B23R3.40525 Ic1cc2ccccc2cc1NCCCc3ccccc3 AIFCHEM-5687333228 [0,1,0,1,0,0|2,0,0]=4 52 B23R3.760911 Brc1cc(cc2c1cccc2)NCCCc3ccccc3 AIFCHEM-6286034083 [0,1,0,1,0,0|2,0,0]=4 53 B23R3.8233995 Brc1c(ccc2c1cccc2)NCCCc3ccccc3 AIFCHEM-5657864203 [0,1,0,1,0,0|2,0,0]=4 54 B23R3.8233995 Clc1c(ccc2c1cccc2)NCCCc3ccccc3 AIFCHEM-6229815988 [0,1,0,1,0,0|2,0,0]=4 55 B19R2.8899 O=C(OCCNc1cccnc1)c2ccccc2 AIFCHEM-94527864298 [0,0,0,0,2,0|2,0,0]=4 56 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccncc2 AIFCHEM-6105438969 [0,0,0,0,2,0|2,0,0]=4 57 B19R2.8900 O=C(CSCc1ccccc1)Nc2ccccc2 AIFCHEM-94577028868 [0,0,0,0,2,0|2,0,0]=4 58 B19R2.16162 O=C(CCc1ccccc1)NCc2ccccc2 AIFCHEM-5794951204 [0,0,0,0,2,0|1,0,1]=4 59 B23R2.477873 O=C(C/C=C/c1ccccc1)NCCCOc2ccccc2 AIFCHEM-6103665646 [0,0,0,0,0,2|1,0,0]=3 60 B23R2.478121 O=C(COCCOCc1ccccc1)NCc2ccccc2 AIFCHEM-94539160630 [0,0,0,0,0,2|1,0,1]=4