0 B10R1.21 NCCCCN1C=CN=C1 I12546 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.4 CCCCCCC1=CSC=C1 H14064 [0,1,0,0,0,0|2,0,0]=3 2 B11R1.180 CCOCCC1=C(C)N=CS1 E7876 [0,1,0,0,0,0|2,0,0]=3 3 B11R2.2 C1=CC(C2CCCC2)=CS1 C13985 [0,0,0,1,0,0|2,0,0]=3 4 B11R1.28 OCCSCC1=CC=CC=C1 B3908 [0,0,0,0,0,1|3,0,0]=4 5 B8R1.8 CCCC1=NC=CN1 P1456 [2,0,0,0,0,0|2,0,0]=4 6 B8R1.8 CCCC1=NC=CN1 P1456 [2,0,0,0,0,0|2,0,0]=4 7 B8R1.8 N#CCC1=CC=CS1 T5379 [2,0,0,0,0,0|1,0,1]=4 8 B8R1.8 NCCC1=CC=CS1 T0651 [2,0,0,0,0,0|1,0,0]=3 9 B8R1.8 OCCC1=CC=CS1 T0443 [2,0,0,0,0,0|1,0,0]=3 10 B10R1.11 CCCC(=O)C1=CC=CS1 T16407 [1,1,0,0,0,0|0,0,1]=3 11 B10R1.11 CCOC(=O)C1=CC=CS1 E7422 [1,1,0,0,0,0|1,0,1]=4 12 B12R1.1 CCCCCC1=CC=C(Br)C=C1 B10180 [0,1,0,0,0,1|1,0,0]=3 13 B12R1.1 CCCCCC1=CC=C(O)C=C1 P7653 [0,1,0,0,0,1|1,0,0]=3 14 B12R1.1 CCCCOC1=CC=C(N)C=C1 B7681 [0,1,0,0,0,1|2,0,0]=4 15 B12R1.1 CCCCOC1=CC=C(O)C=C1 B6915 [0,1,0,0,0,1|2,0,0]=4 16 B12R1.8 CCCCNCC1=CC=CC=C1 B7598 [0,1,0,0,0,1|1,0,0]=3 17 B12R1.8 OCCCNCC1=CC=CC=C1 B7682 [0,1,0,0,0,1|2,0,0]=4 18 B12R1.27 CCC(=O)CCC1=CC=CC=C1 P7542 [0,1,0,0,0,1|1,0,1]=4 19 B12R1.30 CNCCC(Cl)C1=CC=CC=C1 M9900 [0,1,0,0,0,1|2,0,0]=4 20 B12R1.30 CNCCC(O)C1=CC=CC=C1 M0082 [0,1,0,0,0,1|2,0,0]=4 21 B12R1.7 CCCCCCC1=CC(N)=NN1 A13381 [0,2,0,0,0,0|2,0,0]=4 22 B12R1.477 NCC(O)COCC1=CC=CO1 A13958 [0,2,0,0,0,0|1,1,0]=4 23 B12R1.54 CN(C)CC[C@H](O)C1=CC=CS1 D3334 [0,2,0,0,0,0|1,0,0]=3 24 B10R1.17 CCCCC1=CC=CN=C1 B11443 [0,0,1,1,0,0|1,0,1]=4 25 B10R1.17 CCCCC1=NC=CC=C1 B11448 [0,0,1,1,0,0|1,0,1]=4 26 B10R1.17 CCCC[N+]1=CC=CC=C1 B7889 [0,0,1,1,0,0|2,0,0]=4 27 B10R1.17 CCCC[N+]1=CC=CC=C1 B9727 [0,0,1,1,0,0|2,0,0]=4 28 B10R2.7 C1=CC2=C(CCNC2)S1 T11037 [1,0,0,1,0,0|1,0,0]=3 29 B10R2.7 C1=CC2=C(CCNC2)S1 T3330 [1,0,0,1,0,0|1,0,0]=3 30 B10R2.7 C1=CC2=C(CCNC2)S1 T3330 [1,0,0,1,0,0|1,0,0]=3 31 B12R2.2 C1=CC=C(C2CCCN2)C=C1 P12434 [0,0,0,1,0,1|2,0,0]=4 32 B12R2.2 C1=CC=C(C2CCCN2)N=C1 P17214 [0,0,0,1,0,1|2,0,0]=4 33 B12R2.2 C1=CC=C(C2CCNC2)C=C1 P12433 [0,0,0,1,0,1|2,0,0]=4 34 B12R2.41 C1=CC=C2NCCCCC2=C1 T15203 [0,0,0,1,0,1|2,0,0]=4 35 B12R2.1081 CC1NCCC2=C1C=CC=C2 M19306 [0,0,0,1,0,1|2,0,0]=4 36 B12R2.1081 NC1CCCC2=NC=CC=C21 A13327 [0,0,0,1,0,1|2,0,0]=4 37 B12R2.1081 OC1CCCC2=NC=CC=C21 H13328 [0,0,0,1,0,1|2,0,0]=4