0 B11R1.16 N#CCS(=O)C1=CC=CC=C1 NRB01569 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.3 CCC\C(=N/O)C1=NC=CC=C1 RJC00757 [0,1,0,0,0,0|2,0,1]=4 2 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 KM01491 [0,1,0,0,0,0|2,0,1]=4 3 B12R1.17 CC1=CC=CC(C(=O)CC#N)=C1 KM01815 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 RDP00009 [0,1,0,0,0,0|1,0,0]=2 5 B12R1.17 N#CCC(=O)C1=CC(Cl)=CC=C1 KM01406 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 DP00881 [0,1,0,0,0,0|1,1,1]=4 7 B12R1.30 OCCNC(=S)C1=CC=CC=C1 S02163 [0,1,0,0,0,0|1,1,0]=3 8 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 GK02977 [0,1,0,0,0,0|3,0,0]=4 9 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.1 C\C=C\C=N\NC(=O)OCC ML00261 [0,0,1,0,0,0|2,0,1]=4 11 B12R2.1081 O=C1CSCC2=C1C=CC=C2 CD04109 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.1081 S=C1NCCC2=CC=CC=C12 MWP00430 [0,0,0,1,0,0|1,1,0]=3 13 B12R2.2028 CN1SC(=O)C2=C1C=CC=C2 BTB03211 [0,0,0,1,0,0|1,1,0]=3 14 B10R1.11 CCOC(=O)C1=CSN=N1 SEW00615 [0,0,0,0,1,0|3,0,0]=4 15 B12R1.32 CCNC(=O)OC1=CC=CC=C1 BTB13270 [0,0,0,0,0,1|1,0,0]=2 16 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 BTB06265 [0,0,0,0,0,1|2,0,1]=4 17 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 JFD01130 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 HTS13706 [1,1,0,0,0,0|1,0,0]=3 19 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [1,1,0,0,0,0|0,0,0]=2 20 B11R1.22 CSC(=N)C1=CC=C(Cl)C=C1 DP01090 [1,1,0,0,0,0|1,1,0]=4 21 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 BTB04111 [1,1,0,0,0,0|1,0,0]=3 22 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BTB04099 [1,1,0,0,0,0|1,0,0]=3 23 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 CD11832 [1,1,0,0,0,0|1,0,0]=3 24 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 HTS02459 [1,1,0,0,0,0|1,0,0]=3 25 B11R1.23 COC(=O)C1=CC(Br)=CN=C1 RF04619 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CD03238 [1,1,0,0,0,0|1,1,0]=4 27 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 NRB00705 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.222 COC(=O)C1=NC=CN=C1N SEW03162 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.222 NNC(=O)C1=CC=CC=C1Br RDP00172 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.222 NNC(=O)C1=CC=CC=C1O SEW04563 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.15 CCOC(=O)C1=CC(C)=NN1 SPB01217 [0,1,0,0,1,0|2,0,0]=4 32 B11R1.15 CCOC(=O)C1=CNC(S)=N1 KM06163 [0,1,0,0,1,0|2,0,0]=4 33 B11R1.15 CCOC(=O)C1=CSC(C)=N1 SPB02288 [0,1,0,0,1,0|2,0,0]=4 34 B11R1.15 CCOC(=O)C1=CSC(N)=N1 RH01231 [0,1,0,0,1,0|2,0,0]=4 35 B11R1.15 CCOC(=O)C1=NOC(C)=C1 SPB01195 [0,1,0,0,1,0|2,0,0]=4 36 B11R1.199 CCOC(=O)C1=C(N)NN=C1 KM00785 [0,1,0,0,1,0|2,0,0]=4 37 B13R1.19 CCOC(=S)NC1=CC=C(I)C=C1 NH00781 [0,1,0,0,0,1|0,1,0]=3 38 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S03160 [0,1,0,0,0,1|1,0,0]=3 39 B13R1.44 OCCNC(=S)NC1=CC=CC=C1 S01421 [0,1,0,0,0,1|1,1,0]=4 40 B13R1.47 CCOC(=O)C(N)C1=CC=CC=C1 RDP00069 [0,1,0,0,0,1|0,0,0]=2 41 B13R1.348 CC(C)NC(=O)OC1=CC=CC=C1 BTB13267 [0,1,0,0,0,1|1,0,0]=3 42 B13R1.532 CCC(C)\C(=N/O)C1=CC=CC=C1 BTBG00207 [0,2,0,0,0,0|1,0,1]=4 43 B13R1.532 CCC(C)\C(=N\O)C1=CC=CC=C1 NRB02026 [0,2,0,0,0,0|1,0,1]=4 44 B13R1.17 CC1=CC=C(C(=O)NCCO)C=C1 RDR03640 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.17 CCO\N=C(/C)C1=CC=C(C)N=C1 BTB07272 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.17 N#CCCC(=O)C1=CC=C(Cl)C=C1 SEW02405 [0,2,0,0,0,0|1,0,1]=4 47 B13R1.17 N#CCNC(=O)C1=CC=C(Cl)C=C1 RF02552 [0,2,0,0,0,0|1,0,1]=4 48 B13R1.29 CCNS(=O)(=O)C1=CC=C(C)C=C1 BTB12698 [0,2,0,0,0,0|2,0,0]=4 49 B13R1.29 CCNS(=O)(=O)C1=CC=C(F)C=C1 CD11336 [0,2,0,0,0,0|2,0,0]=4 50 B13R1.466 CCOC(=N)C1=CC=C(F)C(Cl)=C1 RJF00463 [0,2,0,0,0,0|1,0,0]=3 51 B13R1.466 CCOC(=O)C1=CC(N)=C(N)C=C1 RDP00141 [0,2,0,0,0,0|0,0,0]=2 52 B13R1.1511 CCOC(=O)C1=C(O)N=C(C)N=C1 SPB06372 [0,2,0,0,0,0|2,0,0]=4 53 B13R1.1511 CCOC(=O)C1=C(O)N=C(S)N=C1 BTB10802 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1C CD10070 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.1511 CCOC(=O)C1=CN=C(O)C=C1O SPB07340 [0,2,0,0,0,0|1,0,0]=3 56 B13R1.1511 CCOC(=O)C1=CN=C(S)N=C1N BTB04316 [0,2,0,0,0,0|2,0,0]=4 57 B13R1.12 CCOC(=O)C1=CC=CC(O)=C1O MO00786 [0,2,0,0,0,0|0,0,0]=2 58 B13R1.450 CCOC(=O)C1=CC(C)=NC(O)=N1 SPB04779 [0,2,0,0,0,0|2,0,0]=4 59 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 EN00044 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 CD11141 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 RJC02447 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.2819 CCNS(=O)(=O)C1=CC=CC=C1I NRB00628 [0,2,0,0,0,0|2,0,0]=4 63 B13R1.201 CC(C)NC(=O)C1=C(N)C=CC=C1 KM09493 [0,2,0,0,0,0|1,0,0]=3 64 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,0,0,1,0,0|1,1,0]=4 65 B11R2.2 C1=CC(=C2SCCS2)C=C1 BTB14389 [0,0,0,1,1,0|0,2,0]=4 66 B13R2.15 O=C1CCCN1C2=CC=CC=C2 RH00722 [0,0,0,1,0,1|1,0,0]=3 67 B13R2.26 CCSC1=NC2=CC=CC=C2N1 BTB13462 [0,0,0,1,0,1|1,1,0]=4 68 B13R2.135 CC[N+]1=C(C)SC2=CC=CC=C21 RJC03274 [0,0,0,1,0,1|2,0,0]=4 69 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SEW01809 [0,1,0,1,0,0|1,0,1]=4 70 B13R2.1613 O\N=C1/CCCC2=CC=CC=C21 KM09261 [0,1,0,1,0,0|1,0,1]=4 71 B13R2.162 CC1=CC2=C(CCCC2=O)N=C1 RH01541 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.162 CC1=CC2=C(CCCC2=O)N=C1 RH01668 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.162 O=C1CCOC2=C1C=C(Cl)C=C2 SEW01816 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.162 O=C1CCOC2=C1C=C(F)C=C2 SEW01443 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.162 O=C1CCSC2=C1C=C(Cl)C=C2 SEW00590 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.162 O=C1CCSC2=C1C=C(F)C=C2 SEW05178 [0,1,0,1,0,0|2,0,0]=4 77 B13R1.42 CCNC(=S)NNC1=CC=CC=C1 S02279 [0,0,0,0,0,2|1,1,0]=4 78 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 DSHS00133 [0,0,0,0,0,2|0,0,0]=2 79 B13R1.42 CCSC(=O)NCC1=CC=CC=C1 JFD01101 [0,0,0,0,0,2|0,1,0]=3