0 B14R2.21 CN1CCC=C(C1)c2ccccn2 AIFCHEM-6298969081 [1,0,0,0,0,0|2,0,1]=4 1 B14R2.21 CN1CCC=C(C1)c2cccnc2 AIFCHEM-6411994923 [1,0,0,0,0,0|2,0,1]=4 2 B14R1.60 CC(CCO)N(C)Cc1ccccn1 AIFCHEM-6090347605 [0,0,1,0,0,0|3,0,0]=4 3 B14R1.85 CCN(C)C(=O)C(O)c1ccccc1 AIFCHEM-6099672372 [0,0,1,0,0,0|1,0,1]=3 4 B14R1.85 CCN(C)C(=O)[C@@H](O)c1ccccc1 AIFCHEM-94563264316 [0,0,1,0,0,0|1,0,1]=3 5 B14R1.85 CCN(C)C(=O)[C@H](O)c1ccccc1 AIFCHEM-94563268643 [0,0,1,0,0,0|1,0,1]=3 6 B14R1.121 CCC(NCCSC)c1ccccn1 AIFCHEM-94598921731 [0,0,1,0,0,0|3,0,0]=4 7 B14R1.121 CCCCNC(CC)c1ccncc1 AIFCHEM-94523039718 [0,0,1,0,0,0|3,0,0]=4 8 B14R1.121 CCCCN[C@@H](CC)c1ccccc1 AIFCHEM-94523037270 [0,0,1,0,0,0|2,0,0]=3 9 B14R1.121 CCCCN[C@H](CC)c1ccccc1 AIFCHEM-94523036340 [0,0,1,0,0,0|2,0,0]=3 10 B14R1.716 CCN(C)CCOCc1ccccc1 AIFCHEM-94563259601 [0,0,1,0,0,0|0,0,0]=1 11 B13R1.42 CC(CCO)NCc1ccccc1 AIFCHEM-94539149454 [1,0,1,0,0,0|2,0,0]=4 12 B13R1.26 CCCCN(CC)c1ccccc1 AIFCHEM-94537412306 [1,0,1,0,0,0|2,0,0]=4 13 B13R1.26 CCCNC(CC)c1ccccn1 AIFCHEM-94521368961 [1,0,1,0,0,0|2,0,0]=4 14 B13R1.398 CCN[C@@H](COC)c1ccccc1 AIFCHEM-94537424022 [1,0,1,0,0,0|2,0,0]=4 15 B13R1.398 CCN[C@H](COC)c1ccccc1 AIFCHEM-94522829725 [1,0,1,0,0,0|2,0,0]=4 16 B13R1.28 CCNCCCCc1ccccc1 AIFCHEM-94537420007 [1,0,1,0,0,0|1,0,0]=3 17 B13R1.337 CN(C)CCNCc1ccccn1 AIFCHEM-5745745517 [1,0,1,0,0,0|2,0,0]=4 18 B15R1.48 CC(CCO)N(C)Cc1ccc(cc1)Cl AIFCHEM-5975231121 [0,1,1,0,0,0|2,0,0]=4 19 B15R1.49 CC(CCO)N(C)Cc1cccc(c1)Cl AIFCHEM-5789074959 [0,1,1,0,0,0|2,0,0]=4 20 B15R1.640 CCN(Cc1ccccc1)C(C)CCO AIFCHEM-5639075691 [0,1,1,0,0,0|2,0,0]=4 21 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Br AIFCHEM-6132164851 [0,1,1,0,0,0|2,0,0]=4 22 B15R1.3960 CC(CCO)N(C)Cc1ccccc1Cl AIFCHEM-94532903961 [0,1,1,0,0,0|2,0,0]=4 23 B15R1.3960 CC(CCO)N(C)Cc1ccccc1O AIFCHEM-94534574983 [0,1,1,0,0,0|2,0,0]=4 24 B15R1.3960 Cc1ccccc1CN(C)C(C)CCO AIFCHEM-5975398378 [0,1,1,0,0,0|2,0,0]=4 25 B15R1.1329 CCN(C)C(=O)C(CO)c1ccccc1 AIFCHEM-94587826620 [0,1,1,0,0,0|1,0,1]=4 26 B15R1.1329 CCN(C)C(=O)[C@@H](CO)c1ccccc1 AIFCHEM-6099605665 [0,1,1,0,0,0|1,0,1]=4 27 B15R1.33 CCC(CNCCSC)c1ccccc1 AIFCHEM-94598921223 [0,1,1,0,0,0|2,0,0]=4 28 B15R1.102 CCC(NCCOC)c1cccc(c1)Br AIFCHEM-94588504032 [0,1,1,0,0,0|2,0,0]=4 29 B15R1.102 CCCCNC(CC)c1cccc(c1)F AIFCHEM-94523042146 [0,1,1,0,0,0|2,0,0]=4 30 B15R1.3402 CCC(NCCSC)c1ccccc1O AIFCHEM-94598923306 [0,1,1,0,0,0|2,0,0]=4 31 B15R1.5331 CCC(NCCN(C)C)c1ccncc1 AIFCHEM-94564768149 [0,1,1,0,0,0|2,0,0]=4 32 B15R1.964 CCN(C)CCN(C)Cc1ccccc1 AIFCHEM-94603298845 [0,1,1,0,0,0|1,0,0]=3 33 B15R1.1321 CCN(C)C(=O)CCCc1ccccc1 AIFCHEM-94563264578 [0,1,1,0,0,0|1,0,1]=4 34 B15R2.332 CN1CCC=C(C1)c2ccccc2N AIFCHEM-94569937444 [1,1,0,0,0,0|1,0,1]=4 35 B15R2.596 CN(Cc1ccccc1)C2CC(C2)O AIFCHEM-6201959988 [0,0,1,1,0,0|2,0,0]=4 36 B15R2.1327 CC[C@@H](NCC1CC1)c2ccccc2 AIFCHEM-5857714771 [0,0,1,1,0,0|2,0,0]=4 37 B15R2.1327 CC[C@H](NCC1CC1)c2ccccc2 AIFCHEM-5660272642 [0,0,1,1,0,0|2,0,0]=4 38 B15R2.1331 CC[C@@H](NC1CCC1)c2ccccc2 AIFCHEM-94576052284 [0,0,1,1,0,0|2,0,0]=4 39 B15R2.1331 CC[C@H](NC1CCC1)c2ccccc2 AIFCHEM-94576053214 [0,0,1,1,0,0|2,0,0]=4 40 B15R2.15 CCN1CCC(C1)Oc2ccccc2 AIFCHEM-94537418477 [0,0,1,1,0,0|2,0,0]=4 41 B15R1.947 CCN(C)C(=O)CC(O)c1ccccc1 AIFCHEM-94563266785 [0,0,1,0,0,1|1,0,1]=4 42 B15R1.1035 CCCCCC(CC)Nc1ccccc1 AIFCHEM-94552031968 [0,0,1,0,0,1|2,0,0]=4 43 B15R1.962 CC(CO)NCCOCc1ccccc1 AIFCHEM-6470251055 [0,0,1,0,0,1|2,0,0]=4 44 B15R1.962 C[C@@H](CO)NCCOCc1ccccc1 AIFCHEM-6463646977 [0,0,1,0,0,1|2,0,0]=4 45 B15R1.962 C[C@H](CO)NCCOCc1ccccc1 AIFCHEM-6395491676 [0,0,1,0,0,1|2,0,0]=4 46 B15R2.31 CN1CCCC(C1)Nc2ccccc2 AIFCHEM-94552035594 [1,0,0,0,0,1|1,0,0]=3