0 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 CS10067 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CC1=CC2=CC=CC=C2C(=O)N1 MC33415 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 CS21531 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 MC33305 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)O1 MC30198 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CS10996 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 O=C1NC(Cl)=NC2=CC=CC=C12 CS15421 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 CS11507 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CS15452 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 O=C1C=NNC2=CC=CC=C12 CS20704 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 O=C1NN=CC2=CC=CC=C12 CS19825 [1,0,0,0,0,0|3,0,0]=4 18 B12R2.1081 O=C1NN=NC2=C1C=CC=C2 MC20712 [1,0,0,0,0,0|3,0,0]=4 19 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [1,0,0,0,0,0|2,0,0]=3 20 B14R2.8045 O=C1NC2=C(C=CC=C2Br)C(=O)O1 MC106559 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8045 O=C1NC2=C(C=CC=C2F)C(=O)O1 MC106613 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8235 O=C1C=C(O)NC2=CC=C(Br)C=C12 CS18059 [0,1,0,0,0,0|3,0,0]=4 23 B14R2.8235 O=C1NC2=C(C=C(Br)C=C2)C(=O)O1 CS20584 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 MC20080 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.29365 O=C1NC2=C(C=CC(Br)=C2)C(=O)O1 CS12315 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.29365 O=C1NC2=CC(Cl)=CC=C2C(=O)O1 MC20649 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.75 O=CC1=C(OC(F)F)C=CC=C1 MC33191 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.283 CCOC1=C(C(=O)O)C=CC=C1 CS13616 [0,0,1,0,0,0|2,0,0]=3 29 B12R1.283 CCOC1=CC=CN=C1C(=O)O MC41614 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.308 CCOC(=O)C1=C(O)C=NC=C1 MC100279 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,0,1,0,0,0|2,0,0]=3 35 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,0,0,0,1,0|3,0,0]=4 36 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,0,0,0,1,0|3,0,0]=4 37 B12R2.18 O=C1NC2=CC=CC=C2C1=O CS11506 [0,0,0,0,1,0|2,0,1]=4 38 B12R2.2028 O=C1CC(Br)C2=CC=CC=C12 CS22129 [0,0,0,0,1,0|3,0,0]=4 39 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 MC41774 [0,0,0,0,1,0|2,0,1]=4 40 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 MC41809 [0,0,0,0,1,0|1,0,1]=3 41 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 CS15659 [0,0,0,0,1,0|2,0,1]=4 42 B12R2.2028 O=C1O[IH2](O)C2=C1C=CC=C2 MC20691 [0,0,0,0,1,0|1,0,0]=2 43 B12R2.2028 O=C1[N-]C(=O)C2=CC=CC=C12 CS11876 [0,0,0,0,1,0|2,0,1]=4 44 B14R2.287 CC1=NNC(=O)C2=C(C=CC=C2)O1 MC116792 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 MC442565 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 CS16516 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 CS15281 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 MC40492 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.53 COC1=C(C(=O)O)C=CC=C1 CS15086 [1,0,1,0,0,0|1,0,0]=3 50 B11R1.53 COC1=C(C(=O)O)C=CC=N1 CS20330 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.53 COC1=C(C(=O)O)C=CN=C1 CS10492 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.53 COC1=C(C(C)=O)C=CC=C1 MC41261 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.53 COC1=CC=CN=C1C(=O)O CS22335 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.53 COC1=CC=NC=C1C(=O)O CS13273 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 N#CC1=C(C(=O)O)C=CC=C1 MC40261 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.53 O=CC1=C(C(=O)O)C=CC=C1 CS13542 [1,0,1,0,0,0|1,0,1]=4 57 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 MC20192 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.222 COC(=O)C1=C(F)C=CC=C1 CS11605 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.222 COC(=O)C1=C(I)C=CC=C1 CS15277 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.222 COC(=O)C1=C(N)C=CC=C1 CS13618 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.222 COC(=O)C1=C(O)C=NC=C1 CS11627 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.222 COC(=O)C1=C(S)C=CC=C1 MC40110 [1,0,1,0,0,0|1,1,0]=4 63 B11R1.222 COC(=O)C1=NC=CC=C1O CS21936 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 MC41230 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.222 O=C(NO)C1=C(O)C=CC=C1 CS11942 [1,0,1,0,0,0|1,0,0]=3 66 B13R1.356 CCOC1=C(C(=O)O)C=CC(F)=C1 MC112284 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.572 CCCOC1=C(C(=O)O)C=CC=C1 CS11121 [0,1,1,0,0,0|2,0,0]=4 68 B13R1.572 O=C(O)C1=NC=CC=C1OCCO MC114584 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O CS11337 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1C MC40042 [0,1,1,0,0,0|2,0,0]=4 71 B13R2.342 O=C1CCOC2=C(Br)C=CC=C12 CS10844 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 CS10849 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.342 O=C1CCOC2=C(F)C=CC=C12 CS13508 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O CS11782 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.4857 CC1=C2C(=O)OC(=O)C2=CC=C1 MC434000 [0,1,0,0,1,0|1,0,1]=4 76 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 MC20882 [0,1,0,0,1,0|1,0,1]=4 77 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 CS10603 [0,1,0,0,1,0|1,0,1]=4 78 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 CS20622 [0,1,0,0,1,0|1,0,1]=4 79 B13R2.5187 O=C1NC(O)C2=CC(Br)=CC=C12 MC427428 [0,1,0,0,1,0|2,0,0]=4 80 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 CS20571 [0,1,0,0,1,0|1,0,1]=4 81 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 MC20637 [0,1,0,0,1,0|1,0,1]=4 82 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 MC20072 [0,1,0,0,1,0|1,0,1]=4 83 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 CS10056 [0,2,0,0,0,0|2,0,0]=4 84 B13R2.5569 O=C(Cl)C1=CC=CC2=C1OCO2 CS12132 [0,0,1,1,0,0|2,0,0]=4 85 B13R2.5569 O=C(O)C1=C2C=COC2=CC=C1 MC104458 [0,0,1,1,0,0|2,0,0]=4 86 B13R2.5569 O=C(O)C1=C2N=COC2=CC=C1 MC442303 [0,0,1,1,0,0|2,0,0]=4 87 B13R2.5569 O=C(O)C1=CC=CC2=C1OCC2 MC442781 [0,0,1,1,0,0|2,0,0]=4 88 B11R2.10 O=C1OC2=C(C=CC=C2)O1 CS10973 [1,0,0,0,1,0|1,0,1]=4