0 B17R1.216706 CCN(CC)CC(=O)Nc1c(C)cccc1C Amb1196076 [0,0,0,0,0,0|0,0,0]=0 1 B17R1.216706 CCN(CC)CC(=O)Nc1c(C)cccc1C Amb22552551 [0,0,0,0,0,0|0,0,0]=0 2 B17R1.216706 CC[NH+](CC)CC(=O)Nc1c(C)cccc1C Amb3499449 [0,0,0,0,0,0|0,0,1]=1 3 B17R1.216706 CC[NH+](CC)CC(=O)Nc1c(C)cccc1C Amb9786235 [0,0,0,0,0,0|0,0,1]=1 4 B17R1.216706 CC[NH+](CC)CC(=O)Oc1c(C)cccc1Cl Amb24079946 [0,0,0,0,0,0|2,0,1]=3 5 B16R1.4950 CCN(CC)CC(=O)Nc1ccccc1Br Amb2967026 [1,0,0,0,0,0|1,0,0]=2 6 B16R1.4950 CCN(CC)CC(=O)Nc1ccccc1F Amb20140855 [1,0,0,0,0,0|1,0,0]=2 7 B16R1.55416 CCN(CC)CCNc1c(C)cccc1C Amb17244626 [1,0,0,0,0,0|0,0,1]=2 8 B16R1.68793 COC(=O)CC(=O)Nc1c(C)cccc1C Amb6811819 [1,0,0,0,0,0|3,0,0]=4 9 B16R1.68793 Cc1cccc(C)c1NC(=O)CC(C)C#N Amb17340625 [1,0,0,0,0,0|2,0,1]=4 10 B18R1.403062 CCN(CC)CC(=O)Nc1c(C)cc(C)cc1C Amb1042526 [0,1,0,0,0,0|0,0,0]=1 11 B18R2.195994 CNC1CCN(c2c(C)cccc2C)C(=O)C1 Amb31119841 [0,0,0,1,0,0|2,0,0]=3 12 B18R2.195994 Cc1cccc(C)c1N2CCC(CN)CC2=O Amb31106656 [0,0,0,1,0,0|2,0,0]=3 13 B15R1.5710 CCN(CC)CCNc1ccccc1C Amb6714237 [2,0,0,0,0,0|0,0,1]=3 14 B15R1.5710 CCN(CC)CCNc1ccccc1Cl Amb6712345 [2,0,0,0,0,0|1,0,1]=4 15 B15R1.5710 CCN(CC)CCNc1ccccc1F Amb6712531 [2,0,0,0,0,0|1,0,1]=4 16 B15R1.8287 CC(=O)CC(=O)Nc1c(C)cccc1C Amb3685979 [2,0,0,0,0,0|2,0,0]=4 17 B15R1.8287 Cc1cccc(C)c1NC(=O)CN(C)C Amb17663816 [2,0,0,0,0,0|0,0,0]=2 18 B15R1.45718 CCNCC(=O)Nc1c(C)cccc1C Amb2414654 [2,0,0,0,0,0|0,0,0]=2 19 B15R1.45718 CCNCC(=O)Nc1c(Cl)cccc1Cl Amb1567151 [2,0,0,0,0,0|2,0,0]=4 20 B15R1.45718 CCNCC(=O)Nc1c(Cl)cccc1Cl Amb2371547 [2,0,0,0,0,0|2,0,0]=4 21 B15R1.45718 CCNCC(=O)Nc1c(F)cccc1F Amb2273589 [2,0,0,0,0,0|2,0,0]=4 22 B15R1.45718 CCNCC(=O)Nc1c(F)cccc1F Amb2370613 [2,0,0,0,0,0|2,0,0]=4 23 B15R1.45718 CNCCC(=O)Nc1c(C)cccc1C Amb24115216 [2,0,0,0,0,0|2,0,0]=4 24 B15R1.45718 Cc1cccc(C)c1NC(=O)CCCCl Amb6377726 [2,0,0,0,0,0|2,0,0]=4 25 B15R1.45718 Cc1cccc(C)c1NC(=O)CCCN Amb5785278 [2,0,0,0,0,0|2,0,0]=4 26 B15R1.45718 Cc1cccc(C)c1NC(=O)CCCO Amb17239273 [2,0,0,0,0,0|2,0,0]=4 27 B17R1.6553 CCN(CC)CC(=O)Nc1ccccc1OC Amb2570525 [1,1,0,0,0,0|0,0,0]=2 28 B17R1.15933 CCN(CC)CC(=O)Nc1cc(C)ccc1C Amb10613847 [1,1,0,0,0,0|0,0,0]=2 29 B17R1.15933 CCN(CC)CC(=O)Nc1cc(Cl)ccc1Cl Amb1261623 [1,1,0,0,0,0|1,0,0]=3 30 B17R1.15933 CCN(CC)CC(=O)Nc1cc(N)ccc1C Amb1122908 [1,1,0,0,0,0|0,0,0]=2 31 B17R1.15933 CCN(CC)CC(=O)Nc1cc(N)ccc1Cl Amb8958479 [1,1,0,0,0,0|1,0,0]=3 32 B17R1.101757 CCN(CC)CC(=O)Nc1ccc(C)cc1C Amb2967016 [1,1,0,0,0,0|0,0,0]=2 33 B17R1.101757 CCN(CC)CC(=O)Nc1ccc(Cl)cc1Cl Amb2967088 [1,1,0,0,0,0|1,0,0]=3 34 B17R1.101757 CCN(CC)CC(=O)Nc1ccc(N)cc1C Amb17598402 [1,1,0,0,0,0|0,0,0]=2 35 B17R1.101757 CCN(CC)CC(=O)Nc1ccc(N)cc1Cl Amb1122788 [1,1,0,0,0,0|1,0,0]=3 36 B17R1.97988 CCN(CC)CCNc1c(C)cc(C)cc1C Amb17251889 [1,1,0,0,0,0|0,0,1]=3 37 B17R1.222174 CCN(CC)C(=O)CNc1c(C)cccc1C Amb20082133 [1,1,0,0,0,0|0,0,2]=4 38 B17R1.575711 CCN(CC)CC(CN)c1c(C)cccc1C Amb17321830 [0,1,0,0,1,0|1,0,1]=4 39 B17R2.3431 Nc1ccccc1NC(=O)CN2CCCC2 Amb1122314 [1,0,0,1,0,0|1,0,0]=3 40 B17R2.44065 CCN(CC)C1=Nc2ccccc2NC1=O Amb19514094 [1,0,0,1,0,0|1,0,1]=4 41 B17R2.73270 CCN1CCN(c2ccccc2N)C(=O)C1 Amb31095473 [1,0,0,1,0,0|1,0,0]=3 42 B17R2.73270 CNC1CCN(c2ccccc2C)C(=O)C1 Amb31175577 [1,0,0,1,0,0|2,0,0]=4 43 B17R2.73270 Cc1ccccc1N2CCC(CN)CC2=O Amb31180906 [1,0,0,1,0,0|2,0,0]=4 44 B17R2.41802 Cc1cccc(C)c1NCCN2CCCC2 Amb17243462 [1,0,0,1,0,0|0,0,1]=3 45 B17R2.97851 CNC1CC(=O)N(c2c(C)cccc2C)C1 Amb31130054 [1,0,0,1,0,0|2,0,0]=4 46 B17R2.97851 Cc1cccc(C)c1N2CC(CN)CC2=O Amb17077404 [1,0,0,1,0,0|2,0,0]=4 47 B17R2.97851 Cc1cccc(C)c1N2CC(CO)CC2=O Amb5755358 [1,0,0,1,0,0|2,0,0]=4 48 B17R2.157278 Cc1cccc(C)c1N2CCC(N)CC2=O Amb31180915 [1,0,0,1,0,0|2,0,0]=4 49 B17R2.41794 Cc1cccc(C)c1NC(=O)C2CCNC2 Amb18288310 [0,0,0,1,1,0|2,0,0]=4 50 B17R2.41794 Cc1cccc(C)c1NC(=O)[C@@H]2CCCN2 Amb5784365 [0,0,0,1,1,0|2,0,0]=4 51 B17R2.611328 Cc1cccc(C)c1NC(=O)C2(CN)CC2 Amb31130031 [0,0,0,1,1,0|2,0,0]=4 52 B19R2.510311 Cc1cccc(C)c1NC(=O)CN2CCCC2=O Amb8293094 [0,1,0,1,0,0|0,0,1]=3 53 B19R2.191360 CCc1cccc(C)c1NC(=O)NC2CCCC2 Amb10648783 [0,1,0,1,0,0|2,0,0]=4 54 B19R2.228942 O=C(CN1CCCC1)Nc2c(I)cc(I)cc2I Amb1646808 [0,1,0,1,0,0|2,0,0]=4 55 B19R2.7682 Cc1cccc(C)c1NC(=O)CN2CCCCC2 Amb1349302 [0,1,0,1,0,0|0,0,0]=2 56 B19R2.7682 Cc1cccc(C)c1NC(=O)CN2CCNCC2 Amb36260 [0,1,0,1,0,0|0,0,0]=2 57 B19R2.7682 Cc1cccc(C)c1NC(=O)CN2CCOCC2 Amb1286091 [0,1,0,1,0,0|0,0,0]=2 58 B19R2.7682 Cc1cccc(C)c1NC(=S)NN2CCOCC2 Amb5949476 [0,1,0,1,0,0|1,1,0]=4 59 B19R2.7682 O=C(CN1CCNCC1)Nc2c(F)cccc2F Amb7762380 [0,1,0,1,0,0|2,0,0]=4 60 B19R2.7682 O=C(CN1CCOCC1)Nc2c(F)cccc2F Amb1545104 [0,1,0,1,0,0|2,0,0]=4 61 B15R1.4479 CCC(CC)C(=O)Nc1ccccc1Br Amb6436057 [1,0,0,0,1,0|2,0,0]=4 62 B15R1.4479 CCC(CC)C(=O)Nc1ccccc1I Amb2134503 [1,0,0,0,1,0|2,0,0]=4 63 B15R1.4479 CCC(CC)C(=O)Nc1ccccc1N Amb843227 [1,0,0,0,1,0|2,0,0]=4 64 B15R1.4479 CCN(CC)C(=O)Cc1ccccc1N Amb1118866 [1,0,0,0,1,0|2,0,0]=4 65 B15R1.4479 CCN(CC)C(=O)Nc1ccccc1Br Amb6514349 [1,0,0,0,1,0|1,0,0]=3 66 B15R1.4479 CCN(CC)C(=O)Nc1ccccc1I Amb27825337 [1,0,0,0,1,0|1,0,0]=3 67 B15R1.13264 CCC(Br)C(=O)Nc1c(C)cccc1C Amb9174029 [1,0,0,0,1,0|2,0,0]=4 68 B17R1.267684 CCC(C)NCC(=O)Nc1c(C)cccc1C Amb20218934 [1,0,0,0,0,1|1,0,0]=3 69 B17R1.267684 CCC(C)NCC(=O)Nc1c(C)cccc1Cl Amb24018641 [1,0,0,0,0,1|2,0,0]=4 70 B17R1.267684 CCC(C)NCC(=O)Nc1c(C)cccc1Cl Amb28653759 [1,0,0,0,0,1|2,0,0]=4