0 B6R1.2 BrC1=CNC=N1 HY-W002226 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 BrC1=CSC=C1 HY-59299 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 BrC1=NC=CS1 HY-W001223 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 CC1=CC=CS1 HY-W010615 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 CC1=CNN=C1 HY-B0876A [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 CC1=NNC=C1 HY-66054 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 CN1CCCC1 HY-128383 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 F[C@@H]1CCNC1 HY-40421 [0,0,0,0,0,0|3,0,1]=4 8 B6R1.2 N=C1CCCS1 HY-W015798 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 NC1=NC=CN1 HY-W062216 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 NC1=NC=CS1 HY-12396 [0,0,0,0,0,0|3,0,1]=4 11 B6R1.2 NC1=NNC=N1 HY-W027592 [0,0,0,0,0,0|3,0,1]=4 12 B6R1.2 NC1=NOC=C1 HY-W007329 [0,0,0,0,0,0|3,0,1]=4 13 B6R1.2 O=C1C=CCC1 HY-W010643 [0,0,0,0,0,0|3,0,1]=4 14 B6R1.2 O=C1C=CCO1 HY-W008270 [0,0,0,0,0,0|3,0,1]=4 15 B6R1.2 O=C1CCOC1 HY-33900 [0,0,0,0,0,0|2,1,0]=3 16 B6R1.2 O=C1CCSC1 HY-W010594 [0,0,0,0,0,0|2,0,0]=2 17 B6R1.2 O=C1NCCN1 HY-W031536 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 O[C@H]1CCOC1 HY-76476 [0,0,0,0,0,0|2,1,1]=4 19 B6R1.2 SC1=NCCN1 HY-W010593 [0,0,0,0,0,0|3,0,0]=3 20 B5R1.1 C1=CNC=N1 HY-D0837 [1,0,0,0,0,0|1,0,2]=4 21 B5R1.1 C1=CNC=N1 HY-ER010 [1,0,0,0,0,0|1,0,2]=4 22 B5R1.1 C1=CNN=C1 HY-76228 [1,0,0,0,0,0|2,0,1]=4 23 B5R1.1 C1=COC=N1 HY-34631 [1,0,0,0,0,0|0,1,2]=4 24 B5R1.1 C1=CON=C1 HY-W010649 [1,0,0,0,0,0|2,0,1]=4 25 B5R1.1 C1=NC=NN1 HY-Y0219 [1,0,0,0,0,0|2,0,1]=4 26 B5R1.1 C1=NC=NN1 HY-Y0219R [1,0,0,0,0,0|2,0,1]=4 27 B5R1.1 C1=NN=CN1 HY-Y0219A [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [0,1,0,0,0,0|2,0,1]=4 29 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [0,1,0,0,0,0|1,0,2]=4 30 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.2 BrC1=CSC(Br)=N1 HY-59304 [0,1,0,0,0,0|1,0,2]=4 32 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.2 CC1CCC(=O)O1 HY-W015938 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 CN1CCC(O)C1 HY-I0708 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.2 O=C1CCC(=O)C1 HY-75355 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 O=C1CSC(=O)N1 HY-59272 [0,1,0,0,0,0|1,0,2]=4 39 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [0,1,0,0,0,0|1,0,2]=4 40 B7R1.2 O=C1C[C@H](O)CN1 HY-W002597 [0,1,0,0,0,0|2,0,1]=4 41 B7R1.4 CC1=CNN=C1C HY-W019334 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.4 CN1CCCC1=O HY-Y1275 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.4 NC1CCSC1=O HY-101404 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.4 N[C@H]1CCSC1=O HY-101404A [0,1,0,0,0,0|3,0,0]=4 45 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [0,1,0,0,0,0|3,0,0]=4 46 B5R0.1 CC(=O)CCO HY-W051287 [0,0,1,0,0,0|2,1,0]=4 47 B5R0.1 CC(=O)NCO HY-W024564 [0,0,1,0,0,0|1,1,1]=4 48 B5R0.1 CC(C)=CC=O HY-34409 [0,0,1,0,0,0|1,1,1]=4 49 B5R0.1 CC(C)=CCO HY-W013035 [0,0,1,0,0,0|1,1,0]=3 50 B5R0.1 CCCC(N)=O HY-W088319 [0,0,1,0,0,0|2,0,1]=4 51 B5R0.1 CCSC(=N)N HY-101252 [0,0,1,0,0,0|3,0,0]=4 52 B5R0.1 CNCC(=O)O HY-101037 [0,0,1,0,0,0|3,0,0]=4 53 B5R0.1 CNCC(=O)O HY-101037R [0,0,1,0,0,0|3,0,0]=4 54 B5R0.1 COCC(=O)O HY-Y1009 [0,0,1,0,0,0|2,1,0]=4 55 B5R0.2 CCCSSC HY-N7436 [0,0,1,0,0,0|2,0,1]=4 56 B5R0.2 CCSCCCl HY-W199190 [0,0,1,0,0,0|2,0,1]=4 57 B5R0.3 CCC(=O)CO HY-W005327 [0,0,1,0,0,0|2,1,0]=4 58 B5R0.3 COC(=O)CN HY-Y1789 [0,0,1,0,0,0|3,0,0]=4 59 B5R0.3 O=C(CS)O[Na] HY-W115724 [0,0,1,0,0,0|3,0,0]=4 60 B5R1.2 FC1CNC1 HY-W001606 [0,0,0,0,1,0|2,0,1]=4 61 B5R1.2 IC1COC1 HY-W016306 [0,0,0,0,1,0|1,1,1]=4 62 B5R1.2 O=C1CCO1 HY-107931 [0,0,0,0,1,0|2,0,0]=3 63 B5R1.2 O=C1COC1 HY-76440 [0,0,0,0,1,0|1,1,0]=3 64 B5R1.2 OC1CCC1 HY-W013042 [0,0,0,0,1,0|2,0,1]=4 65 B5R1.2 OC1CNC1 HY-40144 [0,0,0,0,1,0|2,0,1]=4 66 B7R1.3 CC1=NC=CN=C1 HY-W067358 [0,0,0,0,0,1|1,0,2]=4 67 B7R1.3 CC1CCOCO1 HY-W111914 [0,0,0,0,0,1|1,1,1]=4 68 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [0,0,0,0,0,1|1,0,2]=4 69 B7R1.3 O=C1CCCCN1 HY-W042193 [0,0,0,0,0,1|2,0,1]=4 70 B7R1.3 O=C1CCCCO1 HY-W012997 [0,0,0,0,0,1|3,0,0]=4 71 B7R1.3 O=C1CCOCC1 HY-76487 [0,0,0,0,0,1|2,1,0]=4 72 B7R1.3 O=C1CCSCC1 HY-W002007 [0,0,0,0,0,1|2,0,0]=3 73 B7R1.3 O=C1CNCCN1 HY-20128 [0,0,0,0,0,1|2,0,1]=4 74 B4R0.1 CC(=O)CO HY-Y1366 [1,0,1,0,0,0|1,1,0]=4 75 B4R0.1 CC(C)=NO HY-W008840 [1,0,1,0,0,0|0,1,0]=3 76 B4R0.1 CC[C@@H](C)O HY-W087952 [1,0,1,0,0,0|1,0,1]=4 77 B4R0.1 CNC(=N)N HY-W005028 [1,0,1,0,0,0|2,0,0]=4 78 B4R0.2 C=CCCN HY-W019321 [1,0,1,0,0,0|0,0,2]=4 79 B4R0.2 C=CCSC HY-128447 [1,0,1,0,0,0|0,0,1]=3 80 B4R0.2 CNCCO HY-Y1783 [1,0,1,0,0,0|2,0,0]=4 81 B4R0.2 COCCO HY-139415 [1,0,1,0,0,0|2,0,0]=4 82 B4R0.2 CSSSC HY-128454 [1,0,1,0,0,0|2,0,0]=4 83 B4R0.2 O=CCCO HY-N8461 [1,0,1,0,0,0|2,0,0]=4 84 B6R0.4 CSCCC(=O)O HY-101401 [0,1,1,0,0,0|2,0,0]=4 85 B6R0.6 C(CO)=CCCC HY-W015936 [0,1,1,0,0,0|2,0,0]=4 86 B6R1.6 OCC1CNC1 HY-21336 [0,1,0,0,1,0|1,0,1]=4 87 B6R1.6 OCC1COC1 HY-W004925 [0,1,0,0,1,0|0,1,1]=4 88 B6R1.10 CC1(O)CNC1 HY-59333 [0,1,0,0,1,0|1,0,1]=4 89 B8R1.4 CC1CCN=C(N)C1 HY-138564 [0,1,0,0,0,1|2,0,0]=4 90 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [0,2,0,0,0,0|0,0,2]=4 91 B6R1.1 C1CSCCN1 HY-W007359 [0,0,1,1,0,0|2,0,0]=4 92 B6R1.1 C1CSCSC1 HY-W001189 [0,0,1,1,0,0|1,0,1]=4 93 B4R1.1 C1CNC1 HY-W010628 [1,0,0,0,1,0|0,0,2]=4