0 B8R1.8 CCCC1=CC=CO1 D92136 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCNC1=CC=CS1 23456 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 NCCC1=CC=CS1 F14846 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.8 NCCN1C=NC=N1 AC6274 [0,0,0,0,0,0|1,0,1]=2 4 B8R1.8 OCCC1=CNC=N1 37556 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.8 OCCN1C=CC=C1 T72813 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 O\N=C\C1=CC=CN1 71265 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.1 CCC1=CC=CN1 D90555 [1,0,0,0,0,0|1,0,0]=2 8 B7R1.1 CCC1=CCCC1 T72078 [1,0,0,0,0,0|2,0,1]=4 9 B7R1.1 CCC1=NCCN1 D90467 [1,0,0,0,0,0|2,0,1]=4 10 B7R1.1 CCN1C=CC=C1 F17504 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.1 COC1=CC=CO1 F10347 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.1 CSC1=CC=CS1 77890 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.1 ClCN1C=NC=N1 I11108 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.1 NCC1=CC=CO1 AT17186 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 NCC1=CC=NN1 70944 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.1 NCC1=CSC=N1 30352 [1,0,0,0,0,0|1,0,1]=3 17 B7R1.1 NCC1=NNC=C1 39435 [1,0,0,0,0,0|2,0,1]=4 18 B7R1.1 NCC1=NNC=C1 W13339 [1,0,0,0,0,0|2,0,1]=4 19 B7R1.1 NCC1=NOC=C1 38445 [1,0,0,0,0,0|2,0,1]=4 20 B7R1.1 OCC1=CN=CN1 W10511 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.1 OCC1=CNC=N1 W10530 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.7 CC1=NC(CCO)=CS1 AC3211 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.7 CCCC1=NN=C(N)O1 D74004 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.7 CCCC1=NN=C(O)O1 AT18810 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.7 CCCN1C=NC(N)=N1 AT12112 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.7 CN1C=C(CCO)C=N1 AT16109 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.7 NCCN1C=C(Cl)C=N1 AT16046 [0,1,0,0,0,0|2,0,1]=4 28 B9R1.7 OCCC1=CC(Br)=NO1 AT19717 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.11 COC(=O)C1=CN=CN1 P10322 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.12 CCCCC1=CCC=C1 F14008 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.12 CCCCN1C=CN=C1 D95315 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.12 OCCCN1C=NC=N1 AT12108 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.13 C[C@H](N)CC1=CC=CS1 AT16733 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.13 C[C@H](N)CN1C=CC=N1 AT12541 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.33 CC1=C(CCN)SC=N1 Y11107 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.33 CNCC1=CC=CN1C AT16163 [0,1,0,0,0,0|3,0,0]=4 38 B9R2.2 C1=NNC(C2CC2)=C1 30980 [0,0,0,1,0,0|3,0,0]=4 39 B9R2.3 C1=NNC2=C1CCC2 F53114 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.8 CCOC1=CN=NC=C1 C16860 [0,0,0,0,0,1|3,0,0]=4 41 B9R1.8 CNCC1=NC=CN=C1 P10399 [0,0,0,0,0,1|2,0,1]=4 42 B9R1.8 CNCC1=NC=NC=C1 AT18327 [0,0,0,0,0,1|2,0,1]=4 43 B9R1.8 CNCC1=NC=NC=C1 I11999 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.8 CSCC1=CN=CC=C1 E72352 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.8 ClCCC1=NC=CC=C1 D83590 [0,0,0,0,0,1|2,0,1]=4 46 B6R0.1 CCC\C(N)=N\O F10437 [1,0,1,0,0,0|2,0,0]=4 47 B6R0.1 CNC(=O)CCN AT18765 [1,0,1,0,0,0|1,0,1]=4 48 B6R1.2 CC1=CON=C1 I11485 [2,0,0,0,0,0|2,0,0]=4 49 B6R1.2 CN1C=CN=C1 D91624 [2,0,0,0,0,0|2,0,0]=4 50 B6R1.2 S=C1NC=NN1 I10160 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.1 CC1=NC(CN)=CS1 AT14767 [1,1,0,0,0,0|1,0,1]=4 52 B8R1.1 CC1=NC(CN)=CS1 F16719 [1,1,0,0,0,0|1,0,1]=4 53 B8R1.1 CC1=NC=C(C=O)N1 W10346 [1,1,0,0,0,0|1,0,1]=4 54 B8R1.1 CC1=NN=C(CN)O1 AT18773 [1,1,0,0,0,0|2,0,0]=4 55 B8R1.1 CC1=NN=C(CN)O1 C14456 [1,1,0,0,0,0|2,0,0]=4 56 B8R1.1 CCC1=CC(N)=NN1 78395 [1,1,0,0,0,0|2,0,0]=4 57 B8R1.7 CC(C)N1C=NC=N1 81670 [1,1,0,0,0,0|1,0,1]=4 58 B8R1.7 C[C@H](N)C1=NN=CS1 AT18924 [1,1,0,0,0,0|2,0,0]=4 59 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [1,1,0,0,0,0|2,0,0]=4 60 B8R1.7 O=C(O)C1=CN=CN1 VT1381 [1,1,0,0,0,0|1,0,1]=4 61 B8R1.11 C#CC1=CN=CN1C D81734 [1,1,0,0,0,0|0,0,2]=4 62 B8R1.11 CC1=C(CO)OC=N1 76823 [1,1,0,0,0,0|2,0,0]=4 63 B8R1.11 CN1C=NC=C1CN 71988 [1,1,0,0,0,0|0,0,0]=2 64 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.4 CCCC1=NC=CN=C1C D91392 [0,1,0,0,0,1|1,0,1]=4 68 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.17 NCCNC1=NC=CC=C1 C78639 [0,1,0,0,0,1|1,0,1]=4 70 B10R1.17 NCCNC1=NC=CC=N1 O12010 [0,1,0,0,0,1|1,0,1]=4 71 B10R1.17 NCCNC1=NC=CN=C1 O12008 [0,1,0,0,0,1|0,0,1]=3 72 B10R1.17 NCCOC1=CN=CC=C1 E71907 [0,1,0,0,0,1|1,0,0]=3 73 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [0,1,0,0,0,1|1,0,0]=3 75 B10R1.54 CC(C)CC1=NN=C(N)N1 AT12229 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.130 CC1=NN(C)C(CCN)=C1 C16817 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.11 CCOC(=O)C1=CN=CN1 W10269 [0,2,0,0,0,0|1,0,1]=4 78 B8R1.2 NCC1=CN=CN=C1 P15266 [0,0,1,1,0,0|0,0,2]=4