0 B18R3.6371 Cc1[nH]c2ccccc2c1CC3CCCN3 Amb18061746 [0,0,0,0,0,0|2,0,1]=3 1 B18R3.6371 Cc1[n]c2ccccc2[n]1CC3CCCN3 Amb22058999 [0,0,0,0,0,0|3,0,1]=4 2 B17R3.2681 C(c1[n][nH][n][n]1)c2c[s]c3ccccc32 Amb22896401 [1,0,0,0,0,0|2,0,1]=4 3 B19R3.15229 OCc1[s]c2ccccc2c1CN3CCCC3 Amb19649494 [0,1,0,0,0,0|3,0,0]=4 4 B19R3.4149356 Cc1c(CC2CCCN2)c3ccccc3[n]1C Amb18061748 [0,1,0,0,0,0|2,0,1]=4 5 B17R2.19036 Cc1[nH]c2ccccc2c1\C=C\CCCN Amb18066843 [0,0,1,0,0,0|2,0,1]=4 6 B17R2.43630 Cc1[nH]c2ccccc2c1CC(CC)NC Amb18866828 [0,0,1,0,0,0|2,0,1]=4 7 B17R2.43630 Cc1[nH]c2ccccc2c1CC(CC)NC Amb22546295 [0,0,1,0,0,0|2,0,1]=4 8 B17R2.49529 CCNC(=O)Cc1c(C)[nH]c2c1cccc2 Amb11301338 [0,0,1,0,0,0|2,0,0]=3 9 B17R2.49529 CCNC(=O)Cn1c(C)nc2c1cccc2 Amb1972513 [0,0,1,0,0,0|3,0,0]=4 10 B17R2.49529 CONC(=O)Cc1c(C)[nH]c2c1cccc2 Amb10635335 [0,0,1,0,0,0|3,0,0]=4 11 B17R2.49529 Cc1[nH]c2ccccc2c1CC(=O)OCC Amb20242523 [0,0,1,0,0,0|3,0,0]=4 12 B17R3.109 Cc1[nH]c2ccccc2c1-c3[nH][n][n][n]3 Amb18566111 [0,0,0,0,1,0|3,0,0]=4 13 B17R3.109 Cc1[nH]c2ccccc2c1C3CCCN3 Amb18066546 [0,0,0,0,1,0|2,0,1]=4 14 B17R3.109 O=C/1Nc2c(\C1=C\3/CCCN3)cccc2 Amb1147101 [0,0,0,0,1,0|3,0,0]=4 15 B17R3.109 O=C/1Nc2ccccc2\C1=C/3\NCCO3 Amb24311436 [0,0,0,0,1,0|3,0,0]=4 16 B17R3.109 O=C/1Nc2ccccc2\C1=C\3/CCCN3 Amb21913430 [0,0,0,0,1,0|3,0,0]=4 17 B19R3.288 Cc1[nH]c2ccccc2c1CC3CCCCN3 Amb18897120 [0,0,0,0,0,1|2,0,1]=4 18 B19R3.288 Cc1[nH]c2ccccc2c1CC3CNCCC3 Amb18571921 [0,0,0,0,0,1|2,0,1]=4 19 B19R3.292 O=C1Oc2ccccc2C=C1SC=3NCCN3 Amb21978688 [0,0,0,0,0,1|2,1,0]=4 20 B19R3.8943 Cc1[n]c2cccc[n]2c1CNC=3NCCN3 Amb24072900 [0,0,0,0,0,1|2,0,0]=3 21 B19R3.8943 S=C1Sc2ccccc2N1CSC3=NCCS3 Amb19765833 [0,0,0,0,0,1|3,0,0]=4 22 B19R3.8943 S=c1sc2c(n1CSC3=NCCS3)cccc2 Amb1919352 [0,0,0,0,0,1|3,0,0]=4 23 B16R2.1480 CCc1ccccc1OCC2=NCCN2 Amb17075364 [1,0,1,0,0,0|1,0,1]=4 24 B16R2.1480 COc1ccccc1CCC=2NCCN2 Amb18567018 [1,0,1,0,0,0|0,1,1]=4 25 B16R2.1480 COc1ccccc1OCC2=NCCN2 Amb17075361 [1,0,1,0,0,0|1,1,0]=4 26 B16R2.6335 Cc1[nH]c2ccccc2c1CCCCN Amb18566613 [1,0,1,0,0,0|1,0,1]=4 27 B16R2.6335 Cc1[nH]c2ccccc2c1CCNCC Amb18894847 [1,0,1,0,0,0|1,0,1]=4 28 B16R2.6335 Cc1[nH]c2ccccc2c1CNCCC Amb18566611 [1,0,1,0,0,0|2,0,0]=4 29 B16R2.6335 Cc1[nH]c2ccccc2c1CNCCO Amb18865031 [1,0,1,0,0,0|2,0,0]=4 30 B16R2.33562 CNC(=O)Cc1c(C)[nH]c2c1cccc2 Amb11301276 [1,0,1,0,0,0|2,0,0]=4 31 B16R2.5 CCOC(=O)Cc1c[s]c2ccccc21 Amb24089398 [1,0,1,0,0,0|2,0,0]=4 32 B18R2.123266 Cc1[nH]c2ccccc2c1CC(=O)NCCC Amb20950757 [0,1,1,0,0,0|2,0,0]=4 33 B18R2.123266 Cc1[nH]c2ccccc2c1CC(=O)NCCN Amb18573041 [0,1,1,0,0,0|1,0,1]=4 34 B18R2.125811 Cc1[nH]c2ccccc2c1CC(=O)N(C)CC Amb21808297 [0,1,1,0,0,0|2,0,0]=4 35 B18R2.1626896 Cc1c(CC(=O)NCC)c2c([nH]1)ccc(c2)Br Amb11321787 [0,1,1,0,0,0|2,0,0]=4 36 B18R3.618712 C[n]1cc(CC=2NCCN2)c3ccccc13 Amb24085254 [1,1,0,0,0,0|1,0,0]=3 37 B18R3.32258 Cc1[nH]c2[n]cc(Cl)cc2c1C=3NCCN3 Amb24075093 [0,1,0,0,1,0|2,0,0]=4 38 B18R3.11 C1CN=C(N1)Cc2cccc3c2cccc3 Amb1147521 [0,0,1,1,0,0|1,0,1]=4 39 B16R2.29842 Cc1oc2ccccc2c1C(=N)OCC Amb25701625 [0,0,1,0,1,0|1,1,0]=4 40 B16R3.8 C1CCN=C1c2c[nH]c3ccccc32 Amb24097220 [1,0,0,0,1,0|2,0,0]=4 41 B16R3.8 C1CC[C@H](N1)c2c[s]c3ccccc32 Amb25270672 [1,0,0,0,1,0|1,0,1]=4 42 B16R3.8 C1CN=C(N1)c2c[nH]c3ccccc23 Amb25040094 [1,0,0,0,1,0|1,0,0]=3 43 B16R3.8 C1CN=C(N1)c2coc3ccccc32 Amb24361426 [1,0,0,0,1,0|0,1,0]=3 44 B16R3.8 C1CN=C(N1)c2n[nH]c3c2cccc3 Amb13951963 [1,0,0,0,1,0|2,0,0]=4 45 B16R3.8 C1CN=C(N1)n2cnc3c2cccc3 Amb10558440 [1,0,0,0,1,0|2,0,0]=4 46 B16R3.8 C1CNC(=N1)c2[n]oc3ccccc32 Amb24399913 [1,0,0,0,1,0|1,1,0]=4 47 B16R3.8 c1[n][nH]c([n]1)-c2c[s]c3ccccc32 Amb19616019 [1,0,0,0,1,0|1,0,1]=4 48 B16R3.3490 Cc1oc2ccccc2c1[C@@H]3CCN3 Amb24377074 [0,0,0,0,2,0|0,1,1]=4 49 B16R3.3490 Cc1oc2ccccc2c1[C@H]3CCN3 Amb25757420 [0,0,0,0,2,0|0,1,1]=4 50 B18R2.272170 Cc1oc2ccccc2c1CN=C(NC)NC Amb24261069 [0,0,1,0,0,1|0,1,1]=4 51 B18R3.2098 C(C1CNCCC1)c2c[s]c3ccccc23 Amb24187043 [1,0,0,0,0,1|1,0,1]=4 52 B18R3.3347 C(Sc1[nH]c[n][n]1)c2c[s]c3ccccc32 Amb19474115 [1,0,0,0,0,1|1,0,1]=4 53 B18R3.36580 C(C=1NCCN1)C=2CCc3ccccc3C2 Amb19958435 [1,0,0,0,0,1|1,0,1]=4 54 B20R3.12812 Cc1nc2ccccc2nc1CSC3=NCCS3 Amb10611027 [0,0,0,0,0,2|2,0,0]=4 55 B20R3.12812 O=C1Nc2ccccc2N=C1CSC=3NCCN3 Amb21988975 [0,0,0,0,0,2|2,0,0]=4 56 B20R3.12887 Cc1cc(CSC2=NCCS2)c3ccccc3[n]1 Amb19510804 [0,0,0,0,0,2|2,0,0]=4