0 B18R3.5893 CC1NCCc2nc(-c3ccncc3)sc21 Amb5735210 [0,0,0,0,0,0|2,0,2]=4 1 B18R3.5893 O=C1CCCc2nc(-c3ccccc3)sc21 Amb31133817 [0,0,0,0,0,0|3,0,1]=4 2 B18R3.5893 O=C1CCCc2nc(-c3ccncc3)sc21 Amb18561855 [0,0,0,0,0,0|2,0,1]=3 3 B18R3.5893 O=C1CCCc2nn(-c3ccccc3)cc21 Amb28557219 [0,0,0,0,0,0|3,0,1]=4 4 B18R3.5893 O=C1CCCc2oc(-c3ccccc3)cc21 Amb2797914 [0,0,0,0,0,0|3,0,0]=3 5 B18R3.5893 O=C1NC=Cn2nc(-c3ccncc3)cc21 Amb19860270 [0,0,0,0,0,0|1,0,3]=4 6 B18R3.5893 O=C1NC=Nc2sc(-c3ccccc3)cc21 Amb18011196 [0,0,0,0,0,0|3,0,1]=4 7 B17R3.8708 c1cc(-c2cc3n(n2)CCNC3)ccn1 Amb31116094 [1,0,0,0,0,0|1,0,2]=4 8 B17R3.8708 c1ccc(-c2cc3c(o2)CCNC3)cc1 Amb18653089 [1,0,0,0,0,0|2,0,1]=4 9 B17R3.8708 c1ccc(-c2cc3c(o2)CCNC3)cc1 Amb28963651 [1,0,0,0,0,0|2,0,1]=4 10 B19R3.3835 Cc1ccc(-c2cc3n(n2)CCNC3=O)cc1 Amb32427534 [0,1,0,0,0,0|2,0,1]=4 11 B19R3.3835 O=C1NCCn2nc(-c3ccc(Br)cc3)cc21 Amb32426555 [0,1,0,0,0,0|2,0,1]=4 12 B19R3.3835 O=C1NCCn2nc(-c3ccc(Cl)cc3)cc21 Amb30588629 [0,1,0,0,0,0|2,0,1]=4 13 B19R3.3835 O=C1NCCn2nc(-c3ccc(F)cc3)cc21 Amb30588628 [0,1,0,0,0,0|2,0,1]=4 14 B19R3.3938 Cc1cccc(-c2cc3n(n2)CCNC3=O)c1 Amb32427548 [0,1,0,0,0,0|2,0,1]=4 15 B19R3.3938 O=C1NCCn2nc(-c3cccc(Br)c3)cc21 Amb32426537 [0,1,0,0,0,0|2,0,1]=4 16 B19R3.3938 O=C1NCCn2nc(-c3cccc(Cl)c3)cc21 Amb32427532 [0,1,0,0,0,0|2,0,1]=4 17 B19R3.3938 O=C1NCCn2nc(-c3cccc(F)c3)cc21 Amb32427551 [0,1,0,0,0,0|2,0,1]=4 18 B19R3.5490 Cc1ccccc1-c2cc3n(n2)CCNC3=O Amb32427545 [0,1,0,0,0,0|2,0,1]=4 19 B19R3.5490 O=C1NCCn2nc(-c3ccccc3Cl)cc21 Amb32427544 [0,1,0,0,0,0|2,0,1]=4 20 B19R3.9012 O=C1NCC(O)n2nc(-c3ccccc3)cc21 Amb22435279 [0,1,0,0,0,0|2,0,1]=4 21 B17R2.172 CCOC(=O)c1csc(-c2ccncc2)n1 Amb2414724 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.172 CCOC(=O)c1csc(-c2ccncc2)n1 Amb28556764 [0,0,1,0,0,0|3,0,0]=4 23 B17R2.575 CNC(=O)c1cc(-c2ccccc2)sc1N Amb9028279 [0,0,1,0,0,0|3,0,0]=4 24 B17R2.575 COC(=O)c1cc(-c2ccncc2)nn1C Amb31203581 [0,0,1,0,0,0|2,0,1]=4 25 B17R2.575 COC(=O)c1sc(-c2ccncc2)nc1C Amb17345973 [0,0,1,0,0,0|2,0,1]=4 26 B17R2.2607 CCc1nc(-c2ccccc2)sc1C(N)=O Amb17144419 [0,0,1,0,0,0|2,0,1]=4 27 B17R2.2607 CCc1nc(-c2ccncc2)sc1C(=O)O Amb17308126 [0,0,1,0,0,0|2,0,1]=4 28 B17R2.2607 CCc1oc(-c2ccccc2)cc1C(=O)O Amb2678404 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.2607 CCc1sc(-c2ccncc2)nc1C(=O)O Amb32419515 [0,0,1,0,0,0|3,0,0]=4 30 B17R2.5293 CN(NC1=CC(=O)NCC1)c2ccccc2 Amb8391086 [0,0,1,0,0,0|2,0,1]=4 31 B17R3.4464 O=C1NCCn2nc(-c3cccs3)cc21 Amb32427536 [0,0,0,0,1,0|2,0,1]=4 32 B19R3.8275 O=C1CCCc2cc(-c3ccncc3)ccc21 Amb22276803 [0,0,0,0,0,1|2,0,0]=3 33 B19R3.8275 O=C1CCCc2nc(-c3ccccc3)ccc21 Amb6761064 [0,0,0,0,0,1|2,0,1]=4 34 B19R3.8275 O=C1CCCc2nc(-c3ccccc3)ncc21 Amb21965047 [0,0,0,0,0,1|2,0,1]=4 35 B19R3.8275 O=C1NCCc2cc(-c3ccccc3)ccc21 Amb18227357 [0,0,0,0,0,1|2,0,0]=3 36 B19R3.152686 O=C1CCCc2ccc(-c3ccccc3)cc21 Amb10555288 [0,0,0,0,0,1|3,0,0]=4 37 B19R3.152686 O=C1NC=Cc2ccc(-c3ccncc3)cc21 Amb33877683 [0,0,0,0,0,1|1,0,2]=4 38 B19R3.152686 O=C1NC=Nc2ccc(-c3ccncc3)cc21 Amb19102823 [0,0,0,0,0,1|2,0,1]=4 39 B19R3.152686 O=C1NCCc2ccc(-c3ccccc3)cc21 Amb18867317 [0,0,0,0,0,1|2,0,0]=3 40 B16R2.150 O=CCCc1ccc(-c2ccccc2)s1 Amb33175528 [1,0,1,0,0,0|2,0,0]=4 41 B16R2.2888 CC(=O)c1cc(-c2ccccc2)sc1C Amb2760478 [1,0,1,0,0,0|2,0,0]=4 42 B16R2.2888 CC(=O)c1nc(-c2ccncc2)sc1C Amb27198986 [1,0,1,0,0,0|2,0,0]=4 43 B16R2.2888 CC(=O)c1sc(-c2ccncc2)nc1C Amb2435689 [1,0,1,0,0,0|1,0,1]=4 44 B16R2.2888 Cc1nn(-c2ccncc2)cc1C(N)=O Amb33493627 [1,0,1,0,0,0|1,0,1]=4 45 B16R2.2888 Cc1oc(-c2ccccc2)cc1C(N)=O Amb6368895 [1,0,1,0,0,0|2,0,0]=4 46 B18R2.8107 CCNC(=O)c1cc(-c2ccccc2)sc1N Amb9028306 [0,1,1,0,0,0|2,0,0]=4 47 B18R2.288 CNC(=O)c1cc(-c2ccc(Cl)cc2)oc1C Amb10790042 [0,1,1,0,0,0|2,0,0]=4 48 B18R2.9421 COC(=O)c1cc(-c2ccccc2)n(C)c1C Amb19651876 [0,1,1,0,0,0|2,0,0]=4 49 B18R3.111 Cn1c(-c2ccncc2)nc3c1CCNC3 Amb31132980 [1,1,0,0,0,0|1,0,1]=4 50 B18R2.228 CCOC(=O)c1ccc(-c2ccncc2)cc1 Amb24103835 [0,0,1,0,0,1|2,0,0]=4 51 B18R2.231 CCOC(=O)c1ccnc(-c2ccncc2)c1 Amb22886624 [0,0,1,0,0,1|1,0,1]=4 52 B18R2.96424 COC(=O)C1=CC=C(c2ccncc2)NC1=O Amb20414103 [0,0,1,0,0,1|2,0,0]=4 53 B18R2.96424 COC(=O)c1ccc(-c2ccncc2)nc1C Amb24115777 [0,0,1,0,0,1|1,0,1]=4 54 B18R2.96424 COC(=O)c1cnc(-c2ccncc2)nc1C Amb32440535 [0,0,1,0,0,1|1,0,1]=4