0 B10R1.66 CC(=O)CCN1C=CC=N1 ALBB-005855 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 NC(=O)CCN1C=CC=N1 ALBB-005286 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 O=C(Cl)\C=C\C1=CC=CS1 ALBB-011741 [0,0,0,0,0,0|2,1,1]=4 3 B10R1.66 O=C(O)CCN1C=CC=C1 ALBB-012483 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.66 O=C(O)CCN1C=CC=N1 ALBB-004381 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.66 O=C(O)\C=C\C1=CC=CO1 ALBB-011720 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.66 O=C(O)\C=C\C1=CC=CS1 ALBB-011721 [0,0,0,0,0,0|2,1,1]=4 7 B10R1.66 O=C([O-])\C=C\C1=CC=CO1 ALBB-011720 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 ALBB-021193 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.12 CCNCC1=CC=CO1 ALBB-004757 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.12 CCNCC1=CC=CO1 ALBB-004757 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.25 CNC(C)CCC1=CC=CO1 ALBB-006732 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.25 COC(=O)CCN1C=CC=N1 ALBB-004050 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.25 O=C(CBr)NCC1=CC=CO1 ALBB-031589 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.25 O=C(CCl)NCC1=CC=CO1 ALBB-002298 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.75 CC1=CC=C(CNC(C)C)O1 ALBB-015150 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.75 CC1=CC=C(\C=C\C(=O)Cl)O1 ALBB-011753 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.75 CC1=CC=C(\C=C\C(=O)O)O1 ALBB-007466 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.75 NC(=O)CCC1=CC(Br)=NO1 ALBB-016270 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.75 O=C(O)CCC1=CC(Br)=NO1 ALBB-013740 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 ALBB-000141 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.75 O=C(O)CCC1=CC(O)=NO1 ALBB-014883 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.77 NC(CC(=O)O)C1=CC=CO1 ALBB-006074 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.77 NC(CC(=O)O)C1=CC=CS1 ALBB-006625 [0,1,0,0,0,0|2,1,0]=4 24 B11R1.510 CC(C)(C)NCC1=CC=CO1 ALBB-007235 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.13 CC(=O)CN1C=CN=C1 ALBB-000202 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.13 CC(=O)CN1C=CN=C1 ALBB-000202 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,0,0,0,1,0|1,0,1]=3 28 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,0,0,0,1,0|1,0,1]=3 29 B9R1.13 CC(N)CC1=CC=CO1 ALBB-005427 [0,0,0,0,1,0|1,0,1]=3 30 B9R1.13 NC(=S)CC1=CC=CS1 ALBB-024308 [0,0,0,0,1,0|1,2,0]=4 31 B9R1.13 O=C(O)CC1=CSC=C1 ALBB-005997 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.13 O=C(O)CC1=CSC=N1 ALBB-018573 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.13 O=C(O)CC1=CSC=N1 ALBB-018573 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.91 N=C(N)SCC1=CC=CC=C1 ALBB-019676 [0,0,0,0,0,1|3,0,0]=4 35 B11R1.91 O=C(O)CCC1=NC=CC=C1 ALBB-000157 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.172 NC(=O)NCCC1=CC=CS1 ALBB-024266 [0,0,0,0,0,1|2,1,0]=4 37 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [2,0,0,0,0,0|1,1,0]=4 38 B8R1.8 CNCC1=CC=CS1 ALBB-004685 [2,0,0,0,0,0|1,1,0]=4 39 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [2,0,0,0,0,0|1,0,1]=4 40 B8R1.8 NCCC1=CC=CO1 ALBB-005426 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.16 CCNCC1=CC=C(C)O1 ALBB-015267 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.21 CNCCCC1=CC=CO1 ALBB-033049 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.54 CC(=O)CN1C=CC(C)=N1 ALBB-003638 [0,1,0,0,1,0|2,0,0]=4 44 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 ALBB-002313 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.26 COC(=O)CCC1=CC(Br)=NO1 ALBB-016269 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.26 COC(=O)CCC1=CC(Cl)=NO1 ALBB-005452 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.51 CCOC(=O)\C=C\C1=CC=CO1 ALBB-032760 [0,2,0,0,0,0|1,0,1]=4 48 B12R1.51 CNCC(=O)NCC1=CC=CO1 ALBB-007040 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.51 N#CCC(=O)NCC1=CC=CO1 ALBB-008501 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.51 N#CCC(=O)NCC1=CC=CS1 ALBB-008597 [0,2,0,0,0,0|1,1,0]=4 51 B12R1.51 O=C(CCCl)NCC1=CC=CO1 ALBB-016618 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.103 CC1=CC=C(C(N)CC(=O)O)O1 ALBB-007465 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.7 CC(=O)C1=CSC=C1 ALBB-005994 [0,0,0,0,2,0|2,0,0]=4 54 B8R1.7 CC(N)C1=CC=CO1 ALBB-005423 [0,0,0,0,2,0|1,0,1]=4 55 B8R1.7 N=C(N)C1=CC=CO1 ALBB-008866 [0,0,0,0,2,0|2,0,0]=4 56 B12R1.252 O=C(O)CSCC1=CC=CC=C1 ALBB-009416 [0,0,0,0,0,2|2,0,0]=4