0 B17R2.5678 CC(C)C1=CC=CC=C1OCC2=NCCN2 MCULE-9787505367 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.5678 CC(C)C1=CC=CC=C1OCC2CCNC2 MCULE-7599420388 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.5678 CC(C)C1=CC=CC=C1OCC2CCNC2 MCULE-7694059128 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.1480 COC1=CC=CC=C1OCC2=NN=NN2 MCULE-2697170143 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.1480 COC1=CC=CC=C1OCC2NCCS2 MCULE-8352329876 [1,0,0,0,0,0|2,0,1]=4 5 B18R2.14566 CC(C)(C)C1=C(C=CC=N1)OCC2=NCCN2 MCULE-5164669960 [0,1,0,0,0,0|1,0,0]=2 6 B18R2.14566 CC(C)(C)C1=C(C=CC=N1)OCC2=NCCN2 MCULE-8640774650 [0,1,0,0,0,0|1,0,0]=2 7 B18R2.29411 CC(C)C1=C(C=CC=C1)OCC2=NN=C(S2)N MCULE-7772648576 [0,1,0,0,0,0|2,0,1]=4 8 B18R2.67047 CC1=CC=C(C(=C1)OCC2=NCCN2)C(C)C MCULE-1130890848 [0,1,0,0,0,0|0,0,0]=1 9 B18R2.67047 CC1=CC=C(C(=C1)OCC2=NCCN2)C(C)C MCULE-4243993821 [0,1,0,0,0,0|0,0,0]=1 10 B16R1.3900 CCCNCCOC1=C(C=CC=C1)C(C)C MCULE-6731100556 [0,0,1,0,0,0|1,0,1]=3 11 B16R1.3900 CNCC=CCOC1=CC=CC=C1C(C)C MCULE-3566155040 [0,0,1,0,0,0|3,0,0]=4 12 B16R1.3900 CNCC=CCOC1=CC=CC=C1C(C)C MCULE-6536046582 [0,0,1,0,0,0|3,0,0]=4 13 B16R1.4440 CCOC(=O)COC1=CC=CC=C1C(C)C MCULE-5711984842 [0,0,1,0,0,0|2,0,0]=3 14 B18R3.36582 C1=CC(=C(C=C1)C2CC2)OCC3=NCCN3 MCULE-7048236680 [0,0,0,1,0,0|0,0,0]=1 15 B18R3.36582 C1=CC(=C(C=C1)C2CC2)OCC3=NCCN3 MCULE-7557706119 [0,0,0,1,0,0|0,0,0]=1 16 B16R2.498 CC(C)C1=CC=CC=C1NC2=NCCS2 MCULE-2943438509 [0,0,0,0,1,0|2,0,0]=3 17 B18R2.7138 CC(C)C1=C(C=CC=C1)OCC2CCCNC2 MCULE-1621550763 [0,0,0,0,0,1|1,0,1]=3 18 B18R2.7138 CC(C)C1=C(C=CC=C1)OCC2CCCNC2 MCULE-3368721933 [0,0,0,0,0,1|1,0,1]=3 19 B18R2.7138 CC(C)C1=CC=CC=C1OCC2CCNCC2 MCULE-6377863533 [0,0,0,0,0,1|2,0,1]=4 20 B18R2.7138 CC(C)C1=CC=CC=C1OCC2CCNCC2 MCULE-8642738212 [0,0,0,0,0,1|2,0,1]=4 21 B18R2.7145 CC(C)C1=C(C=CC=C1)OCCN2CCCC2 MCULE-2818813344 [0,0,0,0,0,1|3,0,0]=4 22 B18R2.7145 CC(C)C1=C(C=CC=C1)OCCN2CCCC2 MCULE-4806440513 [0,0,0,0,0,1|3,0,0]=4 23 B15R1.241 CCNCCOC1=CC=CC=C1C(C)C MCULE-1501802050 [1,0,1,0,0,0|0,0,1]=3 24 B15R1.241 CCNCCOC1=CC=CC=C1C(C)C MCULE-7463045086 [1,0,1,0,0,0|0,0,1]=3 25 B15R1.1045 CCC1=C(C=CC=C1)OCCNCCO MCULE-1011643345 [1,0,1,0,0,0|1,0,1]=4 26 B15R1.1045 CCC1=C(C=CC=C1)OCCNCCO MCULE-3039860699 [1,0,1,0,0,0|1,0,1]=4 27 B15R1.1108 CC(C)C1=CC=CC=C1OCC(=O)NN MCULE-5177705132 [1,0,1,0,0,0|2,0,0]=4 28 B15R2.562 CC1=C(C=CC=C1)CNC2=NCCN2 MCULE-8927749570 [2,0,0,0,0,0|2,0,0]=4 29 B15R2.562 CC1=CC=CC=C1CSC2=NCCN2 MCULE-5766686216 [2,0,0,0,0,0|2,0,0]=4 30 B15R2.562 CC1=CC=CC=C1CSC2=NCCN2 MCULE-8775671014 [2,0,0,0,0,0|2,0,0]=4 31 B17R1.7901 CCNCC=CCOC1=CC=CC=C1C(C)C MCULE-5280747323 [0,1,1,0,0,0|2,0,0]=4 32 B17R1.7901 CCNCC=CCOC1=CC=CC=C1C(C)C MCULE-7361139334 [0,1,1,0,0,0|2,0,0]=4 33 B17R1.7901 COCCNCCOC1=C(C=CC=C1)C(C)C MCULE-2019882573 [0,1,1,0,0,0|1,0,1]=4 34 B17R1.7901 COCCNCCOC1=C(C=CC=C1)C(C)C MCULE-7083817386 [0,1,1,0,0,0|1,0,1]=4 35 B17R1.8911 CCCNC(=O)COC1=CC=CC=C1C(C)C MCULE-3278761355 [0,1,1,0,0,0|1,0,0]=3 36 B17R1.4839 CCOC(=O)COC1=CC(=CC=C1C(C)C)C MCULE-6459750380 [0,1,1,0,0,0|2,0,0]=4 37 B17R1.4857 CCOC(=O)COC1=C(C=CC=C1)C(C)(C)C MCULE-4729883169 [0,1,1,0,0,0|2,0,0]=4 38 B17R1.5694 CCNC(=O)C(C)OC1=CC=CC=C1C(C)C MCULE-5366512298 [0,1,1,0,0,0|1,0,0]=3 39 B19R2.12753 CCC(C)C1=C(C=CC=C1)OCC2CCCNC2 MCULE-2444386038 [0,1,0,0,0,1|1,0,1]=4 40 B19R2.12753 CCC(C)C1=C(C=CC=C1)OCC2CCCNC2 MCULE-8667702313 [0,1,0,0,0,1|1,0,1]=4 41 B19R2.20616 CC(C)(C)C1=CC=CC=C1OCC2CCCNC2 MCULE-1818799302 [0,1,0,0,0,1|1,0,1]=4 42 B19R2.20616 CC(C)(C)C1=CC=CC=C1OCC2CCCNC2 MCULE-2736490921 [0,1,0,0,0,1|1,0,1]=4 43 B19R2.103373 CC1=CC=C(C(=C1)OCC2CCCNC2)C(C)C MCULE-4609479965 [0,1,0,0,0,1|1,0,1]=4 44 B19R2.103477 CC(C)C1=CC(=CC=C1OCC2CCCNC2)Br MCULE-1098049089 [0,1,0,0,0,1|1,0,1]=4 45 B19R2.103477 CC(C)C1=CC(=CC=C1OCC2CCCNC2)Br MCULE-6985435232 [0,1,0,0,0,1|1,0,1]=4 46 B19R2.103477 CC(C)C1=CC(=CC=C1OCC2CCCNC2)Cl MCULE-9060920553 [0,1,0,0,0,1|1,0,1]=4 47 B19R2.103477 CC(C)C1=CC(=CC=C1OCC2CCCNC2)Cl MCULE-9369651203 [0,1,0,0,0,1|1,0,1]=4 48 B19R2.217848 CC(C)C1=C(C=CC=C1)OCC2=NN=C(N2C)S MCULE-2875855642 [0,2,0,0,0,0|1,0,1]=4 49 B17R2.5618 CC(C)C1=C(C=CC=C1)OC2CCCNC2 MCULE-6683199405 [0,0,1,1,0,0|1,0,1]=4 50 B17R2.5618 CC(C)C1=CC=CC=C1OC2CCCNC2 MCULE-1564335507 [0,0,1,1,0,0|1,0,1]=4 51 B17R3.1917 C1=CC=C2OC(COC2=C1)C3=NCCN3 MCULE-1552586411 [1,0,0,1,0,0|1,0,0]=3 52 B17R3.1917 C1=CC=C2OC(COC2=C1)C3=NCCN3 MCULE-3569091006 [1,0,0,1,0,0|1,0,0]=3 53 B15R1.1274 CCNC(=S)NC1=CC=CC=C1C(C)C MCULE-5279722930 [0,0,1,0,1,0|2,0,0]=4 54 B15R2.1221 CC(C)C1=C(C=CC=C1)C2CCCN2 MCULE-2461456606 [0,0,0,0,2,0|1,0,1]=4 55 B15R2.1221 CC(C)C1=CC=CC=C1C2=NCCC2 MCULE-8387022751 [0,0,0,0,2,0|1,0,0]=3 56 B15R2.1221 CC(C)C1=CC=CC=C1[C@@H]2CCCN2 MCULE-1380224488 [0,0,0,0,2,0|1,0,1]=4 57 B15R2.1221 CC(C)C1=CC=CC=C1[C@H]2CCCN2 MCULE-8234636552 [0,0,0,0,2,0|1,0,1]=4 58 B15R2.16319 CC(C)C1=C(C=CC=C1)NCC2CC2 MCULE-5628343732 [0,0,0,0,2,0|1,0,1]=4 59 B15R2.16319 CC(C)C1=C(C=CC=C1)OCC2CO2 MCULE-9821272899 [0,0,0,0,2,0|1,0,1]=4 60 B17R1.4154 CC(C)OC1=CC=CC=C1OCCCCCN MCULE-6431974574 [0,0,1,0,0,1|1,0,1]=4 61 B17R1.4154 CC(C)OC1=CC=CC=C1OCCCCCN MCULE-9451732058 [0,0,1,0,0,1|1,0,1]=4 62 B17R2.262 CCC1=CC=CC=C1OCC2CCCNC2 MCULE-3046061891 [1,0,0,0,0,1|1,0,1]=4 63 B19R2.8826 CC(C)C1=CC=CC=C1OCCC2CCCCN2 MCULE-2697101005 [0,0,0,0,0,2|1,0,1]=4 64 B19R2.8826 CC(C)C1=CC=CC=C1OCCC2CCCCN2 MCULE-6894604160 [0,0,0,0,0,2|1,0,1]=4 65 B19R2.8826 CC(C)C1=CC=CC=C1OCCC2CCCNC2 MCULE-2344673910 [0,0,0,0,0,2|1,0,1]=4 66 B19R2.8826 CC(C)C1=CC=CC=C1OCCC2CCCNC2 MCULE-7783162680 [0,0,0,0,0,2|1,0,1]=4 67 B19R2.13525 CC(C)OC1=CC=CC=C1OCC2CCCNC2 MCULE-8551744101 [0,0,0,0,0,2|1,0,1]=4 68 B19R2.13525 CC(C)OC1=CC=CC=C1OCC2CCCNC2 MCULE-9572415262 [0,0,0,0,0,2|1,0,1]=4