0 B22R3.12627361 CNCCC=C1c2ccccc2C=Cc3c1cccc3 Amb17612157 [0,0,0,0,0,0|0,0,2]=2 1 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb1161258 [0,0,0,0,0,0|0,0,4]=4 2 B22R3.12627361 CNCCC=C1c2ccccc2CCc3c1cccc3 Amb2371759 [0,0,0,0,0,0|0,0,4]=4 3 B22R3.12627361 CNCC\C=C/1\c2ccccc2COc3ccccc31 Amb22455380 [0,0,0,0,0,0|1,0,3]=4 4 B22R3.12627361 CNCC\C=C\1/c2ccccc2COc3ccccc31 Amb22731131 [0,0,0,0,0,0|1,0,3]=4 5 B22R3.12627361 C[NH2+]CCC=C1c2ccccc2C=Cc3ccccc31 Amb22232065 [0,0,0,0,0,0|0,0,3]=3 6 B21R3.590114 NCCCN1c2ccccc2CCc3ccccc13 Amb24309866 [1,0,0,0,0,0|1,0,2]=4 7 B23R3.19658479 CNCCCN1c2ccccc2CCc3c1ccc(c3)O Amb17615281 [0,1,0,0,0,0|1,0,2]=4 8 B23R3.21774393 CNCC(CN1c2ccccc2CCc3c1cccc3)C Amb17611805 [0,1,0,0,0,0|1,0,2]=4 9 B23R3.21774393 CNCC(O)CN1c2ccccc2CCc3ccccc13 Amb22477981 [0,1,0,0,0,0|1,0,2]=4 10 B23R3.25657126 CCNCCCN1c2ccccc2CCc3ccccc13 Amb22464589 [0,1,0,0,0,0|1,0,2]=4 11 B23R3.26139327 CN(C)CCCC1c2ccccc2COc3ccccc31 Amb22442707 [0,1,0,0,0,0|1,0,1]=3 12 B23R3.26139327 CN(C)CCCC1c2ccccc2CSc3ccccc31 Amb24309707 [0,1,0,0,0,0|1,0,1]=3 13 B23R3.26139327 CN(C)CCNC1c2ccccc2CCc3ccccc31 Amb22446491 [0,1,0,0,0,0|1,0,2]=4 14 B23R3.26139327 CN(CCCN1c2ccccc2CCc3c1cccc3)C Amb2444037 [0,1,0,0,0,0|1,0,2]=4 15 B23R3.38836458 CNCCCN1c2ccccc2CCc3c1cc(Cl)cc3 Amb17612162 [0,1,0,0,0,0|1,0,2]=4 16 B23R3.153679454 CNCCCC1c2ccccc2C=C(c3c1cccc3)O Amb17615805 [0,1,0,0,0,0|0,0,0]=1 17 B23R3.237256451 CNCCCC1(O)c2ccccc2CSc3ccccc13 Amb24309767 [0,1,0,0,0,0|1,0,1]=3 18 B21R2.14087 CNCCNCc1ccccc1OCc2ccccc2 Amb24785757 [0,0,1,0,0,0|2,0,1]=4 19 B21R3.8069667 CCCNCc1c2ccccc2cc3ccccc31 Amb20673499 [0,0,0,0,1,0|2,0,1]=4 20 B21R3.8069667 CCCNCc1c2ccccc2cc3ccccc31 Amb20673501 [0,0,0,0,1,0|2,0,1]=4 21 B21R3.8069667 CNCCCN1c2ccccc2Oc3ccccc13 Amb22481415 [0,0,0,0,1,0|2,0,0]=3 22 B21R3.8069667 CNCCCN1c2ccccc2Sc3ccccc13 Amb22464042 [0,0,0,0,1,0|2,0,0]=3 23 B20R2.21885 CNCCOC(c1ccccc1C)c2ccccc2 Amb17597075 [1,0,1,0,0,0|1,0,1]=4 24 B20R3.178278 CNCC1c2ccccc2CCc3ccccc31 Amb24309775 [2,0,0,0,0,0|0,0,2]=4 25 B20R3.178278 CNCC1c2ccccc2CSc3ccccc31 Amb24309845 [2,0,0,0,0,0|1,0,1]=4 26 B22R3.12627800 CNCCCN1c2cc(Cl)ccc2Oc3ccccc13 Amb22442926 [0,1,0,0,1,0|2,0,0]=4 27 B22R3.12627800 CNCCCN1c2cc(Cl)ccc2Sc3ccccc13 Amb22453012 [0,1,0,0,1,0|2,0,0]=4 28 B22R3.12627800 CNCCCN1c2cc(Cl)ccc2Sc3ccccc13 Amb22729220 [0,1,0,0,1,0|2,0,0]=4 29 B22R3.12627800 CNCCCN1c2ccccc2Sc3c1cc(Cl)cc3 Amb17611753 [0,1,0,0,1,0|2,0,0]=4 30 B22R3.15927150 CCCCNCc1c2ccccc2cc3ccccc31 Amb19890748 [0,1,0,0,1,0|1,0,1]=4 31 B22R3.15927150 CCCCNCc1c2ccccc2cc3ccccc31 Amb20673535 [0,1,0,0,1,0|1,0,1]=4 32 B22R3.23709122 CCCCCN1c2ccccc2C(=O)c3ccccc13 Amb21996677 [0,1,0,0,1,0|2,0,0]=4 33 B24R3.115675198 CC(CC1c2ccccc2CCc3ccccc31)CN(C)C Amb22732310 [0,2,0,0,0,0|0,0,2]=4 34 B24R3.115675198 CN(CC(CC1c2ccccc2CCc3c1cccc3)C)C Amb17610138 [0,2,0,0,0,0|0,0,2]=4 35 B24R3.40764905 ONC(=O)CCOC1c2ccccc2C=Cc3ccccc31 Amb24310346 [0,2,0,0,0,0|1,0,1]=4 36 B24R3.118819978 CN(CC\C=C/1\c2ccccc2C=Cc3c1cc(O)cc3)C Amb17615264 [0,2,0,0,0,0|0,0,2]=4 37 B24R3.252558763 CNCCCC1c2ccccc2C(C(c3c1cccc3)O)O Amb17612935 [0,2,0,0,0,0|0,0,2]=4 38 B24R4.6573729 C1CNCCC1=C2c3ccccc3C=Cc4ccccc42 Amb20670867 [0,1,0,1,0,0|0,0,2]=4 39 B20R3.368533 CCCCc1c2ccccc2cc3ccccc31 Amb22734622 [1,0,0,0,1,0|0,0,1]=3 40 B20R3.368533 NCCCN1c2ccccc2Oc3ccccc13 Amb23580670 [1,0,0,0,1,0|2,0,0]=4 41 B20R3.368533 NCCNC1c2ccccc2Oc3ccccc31 Amb23919989 [1,0,0,0,1,0|2,0,0]=4