0 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D00826 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.4 N[C@@H]1CC1C2=CC=CC=C2 D08625 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.15 CCC(O)C1=CC=CC=C1 D01470 [0,0,1,0,0,0|2,0,0]=3 3 B10R1.17 CNCCC1=NC=CC=C1 D01592 [0,0,1,0,0,0|3,0,0]=4 4 B10R1.17 CNCCC1=NC=CC=C1 D03102 [0,0,1,0,0,0|3,0,0]=4 5 B10R1.17 CNCCC1=NC=CC=C1 D07522 [0,0,1,0,0,0|3,0,0]=4 6 B10R1.17 NNCCC1=CC=CC=C1 D00505 [0,0,1,0,0,0|1,0,0]=2 7 B10R1.17 NNCCC1=CC=CC=C1 D08349 [0,0,1,0,0,0|1,0,0]=2 8 B10R1.17 OCCOC1=CC=CC=C1 D08359 [0,0,1,0,0,0|2,0,0]=3 9 B10R1.18 CC(N)CC1=CC=CC=C1 D02074 [0,0,1,0,0,0|0,0,0]=1 10 B10R1.18 CC(N)CC1=CC=CC=C1 D07445 [0,0,1,0,0,0|0,0,0]=1 11 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 D04704 [0,0,1,0,0,0|0,0,0]=1 12 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D02078 [0,0,1,0,0,0|0,0,0]=1 13 B10R1.18 C[C@H](N)CC1=CC=CC=C1 D03740 [0,0,1,0,0,0|0,0,0]=1 14 B10R1.18 O=C(O)CC1=CC=CC=C1 D09942 [0,0,1,0,0,0|2,0,1]=4 15 B10R1.18 O=C([O-])CC1=CC=CC=C1 D05867 [0,0,1,0,0,0|2,0,1]=4 16 B9R1.8 OCCC1=CC=CC=C1 D00192 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.22 NCC(O)C1=CC=C(O)C=C1 D00178 [0,1,1,0,0,0|1,0,0]=3 18 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D01405 [0,1,1,0,0,0|1,0,0]=3 19 B11R1.23 NCC(O)C1=CC(O)=CC=C1 D08286 [0,1,1,0,0,0|1,0,0]=3 20 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07627 [0,1,1,0,0,0|1,0,0]=3 21 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 D07628 [0,1,1,0,0,0|1,0,0]=3 22 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D01224 [0,1,1,0,0,0|1,0,0]=3 23 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 D08368 [0,1,1,0,0,0|1,0,0]=3 24 B11R1.28 OCCSCC1=CC=NC=C1 D05737 [0,1,1,0,0,0|2,0,0]=4 25 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D02242 [0,1,1,0,0,0|2,0,0]=4 26 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 D08187 [0,1,1,0,0,0|2,0,0]=4 27 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 D02291 [0,1,1,0,0,0|2,0,0]=4 28 B11R1.20 CC(N)CC1=CC=C(O)C=C1 D04473 [0,1,1,0,0,0|0,0,0]=2 29 B11R1.157 C[C@H](N)CC1=CC(O)=CC=C1 D07150 [0,1,1,0,0,0|0,0,0]=2 30 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05458 [0,1,1,0,0,0|0,0,0]=2 31 B11R1.509 CC(C)(N)CC1=CC=CC=C1 D05459 [0,1,1,0,0,0|0,0,0]=2 32 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 D00857 [0,1,1,0,0,0|2,0,0]=4 33 B13R2.10 NC1=NCC(C2=CC=CC=C2)O1 D02909 [0,0,0,0,0,2|0,0,1]=3 34 B13R2.15 NC1CCCC1C2=CC=CC=C2 D03629 [0,0,0,0,0,2|0,0,0]=2