0 B17R2.143 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2 D39729 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.143 O=C(NC1=NC=CC=C1)NC2=NC=CC=C2 D54306 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.143 O=C(OC1=NC=CC=C1)OC2=NC=CC=C2 D55241 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.143 ON(CC1=CC=CC=C1)CC2=CC=CC=C2 D37926 [0,0,0,0,0,0|1,0,1]=2 4 B16R2.2256 C(#CC1=CC=CC=C1)NC2=CC=CC=C2 P57502 [1,0,0,0,0,0|1,0,2]=4 5 B16R2.2256 C1=CC(CCCC2=CC=NC=C2)=CC=N1 T62633 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 P67709 [1,0,0,0,0,0|1,0,1]=3 7 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 D69321 [1,0,0,0,0,0|1,0,0]=2 8 B16R2.2256 C1=CC=C(SCSC2=CC=CC=C2)C=C1 B56796 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.2256 C1=CN=C(CNCC2=NC=CC=C2)C=C1 P68094 [1,0,0,0,0,0|3,0,0]=4 10 B18R2.199 O=CN(CC1=CC=CC=C1)CC2=CC=CC=C2 D10813 [0,1,0,0,0,0|1,0,0]=2 11 B18R2.7204 CC(OC1=CC=CC=C1)C(O)C2=CC=CC=C2 P58278 [0,1,0,0,0,0|2,0,1]=4 12 B18R2.32233 O=P(Cl)(OC1=CC=CC=C1)OC2=CC=CC=C2 D60706 [0,1,0,0,0,0|3,0,0]=4 13 B18R2.32233 O=P([O-])(OC1=CC=CC=C1)OC2=CC=CC=C2 D39671 [0,1,0,0,0,0|3,0,0]=4 14 B18R3.176 O=C1CC2=C(C=CC=C2)C3=C(C=CC=C3)N1 D64468 [0,0,0,1,0,0|1,0,0]=2 15 B18R3.182 O=C1NC2=C(C=CC=C2)N1C3=CC=CC=C3 P37781 [0,0,0,1,0,0|2,0,0]=3 16 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 B57663 [0,0,0,0,1,0|2,0,0]=3 17 B16R2.88 N=C(NC1=CC=CC=C1)C2=CC=CC=C2 P56744 [0,0,0,0,1,0|2,0,0]=3 18 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 P38200 [0,0,0,0,1,0|1,0,0]=2 19 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 P55559 [0,0,0,0,1,0|2,0,0]=3 20 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B39732 [1,1,0,0,0,0|1,0,0]=3 21 B17R2.2342 C[C@H](NCC1=CC=CC=C1)C2=CC=CC=C2 B68756 [1,1,0,0,0,0|1,0,0]=3 22 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 B57604 [1,1,0,0,0,0|1,0,1]=4 23 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 D69396 [1,1,0,0,0,0|0,0,2]=4 24 B17R2.2342 O[C@@H](COC1=CC=CC=C1)C2=CC=CC=C2 P57651 [1,1,0,0,0,0|1,0,1]=4 25 B17R2.2342 O[C@@H](\C=C\C1=CC=CC=C1)C2=CC=CC=C2 D58226 [1,1,0,0,0,0|0,0,1]=3 26 B17R2.192 CC1=CC=C(C(=O)CC2=CC=NC=C2)C=C1 P57610 [0,1,0,0,1,0|1,0,0]=3 27 B17R2.192 NC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1 A56747 [0,1,0,0,1,0|1,0,0]=3 28 B17R2.192 NC1=CC=C(C(=O)NC2=CC=CC=C2)C=C1 A63700 [0,1,0,0,1,0|1,0,0]=3 29 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(Br)C=C2 B57535 [0,1,0,0,1,0|0,0,0]=2 30 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(Cl)C=C2 B57539 [0,1,0,0,1,0|0,0,0]=2 31 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(F)C=C2 F57542 [0,1,0,0,1,0|0,0,0]=2 32 B17R2.192 O=C(CC1=CC=NC=C1)C2=CC=C(Br)C=C2 B56673 [0,1,0,0,1,0|1,0,0]=3 33 B17R2.209 CC1=CC=C(CC(=O)C2=CN=CC=C2)C=C1 P57609 [0,1,0,0,1,0|1,0,0]=3 34 B17R2.209 O=C(CC1=CC=C(Cl)C=C1)C2=CC=CC=C2 C57540 [0,1,0,0,1,0|0,0,0]=2 35 B17R2.3417 NC1=C(C(=O)NC2=CN=CC=C2)C=CC=C1 A55648 [0,1,0,0,1,0|2,0,0]=4 36 B17R2.3417 O=C(CC1=CC=NC=C1)C2=C(Cl)C=CC=C2 C56674 [0,1,0,0,1,0|1,0,0]=3 37 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC(Cl)=NC=C2 C56487 [0,1,0,0,1,0|2,0,0]=4 38 B17R2.5293 O=C(CC1=CC(Br)=NC=C1)C2=NC=CC=C2 B60503 [0,1,0,0,1,0|2,0,0]=4 39 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@@H](N)C2=CC=CC=C2 D37935 [0,1,0,0,1,0|1,0,1]=4 40 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 A67930 [0,1,0,0,1,0|0,0,2]=4 41 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@H](N)C2=CC=CC=C2 D57703 [0,1,0,0,1,0|1,0,1]=4 42 B17R2.10205 O=C(C1=CC=CC=C1)N(O)C2=CC=CC=C2 N68751 [0,1,0,0,1,0|1,0,0]=3 43 B17R2.10205 O=C(C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 B69385 [0,1,0,0,1,0|0,0,0]=2 44 B17R2.10205 O[C@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 H57649 [0,1,0,0,1,0|0,0,2]=4 45 B19R2.4385 O=C(C=CC1=CC=CC=C1)NC2=CC(O)=CC=C2 H58192 [0,1,0,0,0,1|1,0,1]=4 46 B19R2.4385 O=C(NC1=CC=CC(F)=C1)OCC2=CC=CC=C2 B65941 [0,1,0,0,0,1|1,0,0]=3 47 B19R2.4485 O=C(C=CC1=CC=CC=C1)NC2=C(F)C=CC=C2 F58161 [0,1,0,0,0,1|1,0,1]=4 48 B19R2.4485 O=C(CCC1=CC=CC=C1)NC2=C(Br)C=CC=C2 B60692 [0,1,0,0,0,1|1,0,0]=3 49 B19R2.4485 O=C(NC1=CC=CNC1=O)OCC2=CC=CC=C2 B56754 [0,1,0,0,0,1|2,0,0]=4 50 B19R2.8929 CN(CC1=CC=CC=C1)C[C@H](O)C2=CC=CC=C2 B58723 [0,1,0,0,0,1|2,0,0]=4 51 B19R2.11857 O=C(CCC1=CC=CC=C1)NC2=CC=C(Br)C=C2 B58224 [0,1,0,0,0,1|1,0,0]=3 52 B19R2.16158 O=C(OCC1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 B58240 [0,1,0,0,0,1|0,0,0]=2 53 B19R2.4600 CC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2 D64733 [0,2,0,0,0,0|1,0,0]=3 54 B19R2.4600 S=C([S-])N(CC1=CC=CC=C1)CC2=CC=CC=C2 S68480 [0,2,0,0,0,0|1,1,0]=4 55 B19R2.21040 CN(C(=O)N(C)C1=CC=CC=C1)C2=CC=CC=C2 D58268 [0,2,0,0,0,0|2,0,0]=4 56 B17R3.8 C1=CC=C(C2=CNC3=C2C=CC=C3)C=C1 P38279 [1,0,0,1,0,0|1,0,1]=4 57 B17R3.8 C1=CC=C(N2C=CC3=C2C=CC=C3)C=C1 P57501 [1,0,0,1,0,0|1,0,1]=4 58 B17R3.8 C1=CC=C(N2C=NC3=C2C=CC=C3)C=C1 P56650 [1,0,0,1,0,0|2,0,0]=4 59 B17R3.8708 C1=CC=C(C2=CC3=C(C=CC=C3)N2)C=C1 P68306 [0,0,0,1,1,0|1,0,1]=4 60 B17R3.54615 BrC1=CC2=CC=CC=C2C3=CC=CC=C13 B58046 [0,0,0,1,1,0|1,0,1]=4 61 B17R3.54615 BrC1=NC2=CC=CC=C2C3=CC=CC=C31 B57314 [0,0,0,1,1,0|2,0,0]=4 62 B17R3.54615 ClC1=NC2=CC=CC=C2C3=CC=CC=C31 C57316 [0,0,0,1,1,0|2,0,0]=4 63 B17R3.54615 IC1=CC2=CC=CC=C2C3=CC=CC=C13 K58048 [0,0,0,1,1,0|1,0,1]=4 64 B17R3.54615 [Mg+]C1=CC2=CC=CC=C2C3=CC=CC=C13 P31721 [0,0,0,1,1,0|1,0,1]=4 65 B19R3.294 O=C1CC2=C(C=CC=C2)[C@H](C3=CC=CC=C3)N1 P58189 [0,0,0,1,0,1|0,0,0]=2 66 B19R3.294 O=C1N[C@@H](C2=CC=CC=C2)C3=C(C=CC=C3)O1 P57511 [0,0,0,1,0,1|1,0,0]=3 67 B19R3.241821 ClC1=CC=C(CC2=NC3=C(C=CC=C3)N2)C=C1 C57505 [0,1,0,1,0,0|2,0,0]=4 68 B19R3.289 CN1C(=O)CC2=C(C=CC=C2)C3=C1C=CC=C3 M58188 [0,1,0,1,0,0|1,0,0]=3 69 B15R2.2195 C1=CC(CCC2=CC=NC=C2)=CC=N1 B55697 [1,0,0,0,1,0|2,0,0]=4 70 B15R2.2195 C1=CC=C(COC2=CC=CC=C2)C=C1 B56774 [1,0,0,0,1,0|1,0,0]=3 71 B15R2.2195 C1=CC=C(COC2=CC=NC=C2)C=C1 B38941 [1,0,0,0,1,0|2,0,0]=4 72 B15R2.2195 C1=CC=C(COC2=CN=CC=C2)C=C1 B5427 [1,0,0,0,1,0|2,0,0]=4 73 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 D60792 [1,0,0,0,1,0|2,0,0]=4 74 B15R2.2195 C1=CC=C(\C=N\C2=CC=CC=C2)C=C1 P62300 [1,0,0,0,1,0|1,0,0]=3 75 B15R2.2226 CN(C1=CC=CC=C1)C2=CC=CC=C2 M39700 [0,0,0,0,2,0|2,0,0]=4 76 B15R2.2226 CP(C1=CC=CC=C1)C2=CC=CC=C2 M56843 [0,0,0,0,2,0|2,0,0]=4 77 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 B15570 [0,0,0,0,2,0|1,0,0]=3 78 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 D57401 [0,0,0,0,2,0|1,0,0]=3 79 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 D15569 [0,0,0,0,2,0|1,0,1]=4 80 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 B60761 [0,0,0,0,2,0|0,0,0]=2 81 B15R2.2226 O=C(C1=CN=CC=C1)C2=CN=CC=C2 D55222 [0,0,0,0,2,0|2,0,0]=4 82 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 D67440 [0,0,0,0,2,0|2,0,0]=4 83 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 S68797 [0,0,0,0,2,0|1,0,0]=3 84 B15R2.2226 O=[PH](C1=CC=CC=C1)C2=CC=CC=C2 D67906 [0,0,0,0,2,0|1,0,0]=3 85 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 D67582 [0,0,0,0,2,0|0,0,2]=4 86 B15R2.2226 [SiH3]C(C1=CC=CC=C1)C2=CC=CC=C2 D56889 [0,0,0,0,2,0|1,0,1]=4 87 B17R2.2382 C1=CC=C(CSSCC2=CC=CC=C2)C=C1 D68268 [1,0,0,0,0,1|1,0,0]=3 88 B17R2.2382 C1=CC=C(OCCOC2=CC=CC=C2)C=C1 D65449 [1,0,0,0,0,1|1,0,1]=4 89 B17R2.2382 C1=CC=C(\C=C\C=C\C2=CC=CC=C2)C=C1 D68773 [1,0,0,0,0,1|0,0,2]=4 90 B19R2.16162 O=C(\C=C\C1=CC=CC=C1)\C=C\C2=CC=CC=C2 T32042 [0,0,0,0,0,2|0,0,2]=4 91 B19R2.16162 O=C(\C=C\C1=CC=CC=C1)\C=C\C2=CC=CC=C2 T69250 [0,0,0,0,0,2|0,0,2]=4