0 B19R3.1761344 C1=CC=C(C=C1)C2(CCCCC2)N3CCCC3 MCULE-8465883824 [0,0,0,0,0,0|0,0,0]=0 1 B19R3.1761344 C1=CC=C(C=C1)C2(CCNCC2)N3CCCC3 MCULE-9961494180 [0,0,0,0,0,0|1,0,0]=1 2 B18R3.238492 C1=CSC(=C1)C2(CCCCC2)N3CCCC3 MCULE-3366182872 [0,0,0,0,1,0|1,0,0]=2 3 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-3296808520 [0,0,0,0,0,1|0,0,0]=1 4 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-6074721111 [0,0,0,0,0,1|0,0,0]=1 5 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCNCC3 MCULE-1783702931 [0,0,0,0,0,1|0,0,0]=1 6 B20R3.2028422 C1=CC=C(C=C1)C2(CCCCC2)N3CCNCC3 MCULE-6731435874 [0,0,0,0,0,1|0,0,0]=1 7 B17R2.59819 C=CCNC1(CCCCC1)C2=CC=CC=C2 MCULE-2572542747 [1,0,1,0,0,0|0,0,2]=4 8 B17R2.59819 C=CCNC1(CCCCC1)C2=CC=CC=C2 MCULE-3533253719 [1,0,1,0,0,0|0,0,2]=4 9 B17R2.59819 CCCNC1(CCCCC1)C2=CC=CC=C2 MCULE-1350736021 [1,0,1,0,0,0|0,0,0]=2 10 B17R2.59819 CCCNC1(CCCCC1)C2=CC=CC=C2 MCULE-2105027535 [1,0,1,0,0,0|0,0,0]=2 11 B19R2.57793 CCOCCNC1(CCCCC1)C2=CC=CC=C2 MCULE-5512135485 [0,1,1,0,0,0|0,0,0]=2 12 B19R2.57793 CCOCCNC1(CCCCC1)C2=CC=CC=C2 MCULE-6976703902 [0,1,1,0,0,0|0,0,0]=2 13 B19R2.57793 COCCCNC1(CCCCC1)C2=CC=CC=C2 MCULE-5889985300 [0,1,1,0,0,0|0,0,0]=2 14 B19R2.57793 COCCCNC1(CCCCC1)C2=CC=CC=C2 MCULE-7394578707 [0,1,1,0,0,0|0,0,0]=2 15 B19R2.57793 COCCNCC1(CCNCC1)C2=CC=CC=C2 MCULE-3884243660 [0,1,1,0,0,0|2,0,0]=4 16 B19R3.12783 O=C1CCC(CC1)(C2=CC=CC=C2)N3CCC3 MCULE-6634632262 [0,1,0,0,1,0|0,0,1]=3 17 B21R3.144751 OC1=CC=C(C=C1)CC2(CCCCC2)N3CCCC3 MCULE-2589253793 [0,1,0,0,0,1|0,0,0]=2 18 B21R3.144751 OC1=CC=C(C=C1)CC2(CCCCC2)N3CCCC3 MCULE-3707240000 [0,1,0,0,0,1|0,0,0]=2 19 B21R3.649619 CC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-1492999790 [0,1,0,0,0,1|0,0,0]=2 20 B21R3.649619 CC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3 MCULE-2814346474 [0,1,0,0,0,1|0,0,0]=2 21 B21R3.649619 OC1CCN(CC1)C2(CCCCC2)C3=CC=CC=C3 MCULE-6223658303 [0,1,0,0,0,1|0,0,0]=2 22 B21R3.3818798 ClC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-6569575895 [0,1,0,0,0,1|0,0,0]=2 23 B21R3.3818798 ClC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-9994467290 [0,1,0,0,0,1|0,0,0]=2 24 B21R3.3818798 FC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-1957761898 [0,1,0,0,0,1|0,0,0]=2 25 B21R3.3818798 FC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-2351529281 [0,1,0,0,0,1|0,0,0]=2 26 B21R3.3818798 NC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-2353511610 [0,1,0,0,0,1|0,0,0]=2 27 B21R3.3818798 NC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-5413963472 [0,1,0,0,0,1|0,0,0]=2 28 B21R3.3818798 NC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-7078387026 [0,1,0,0,0,1|0,0,0]=2 29 B21R3.3818798 OC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-3666577951 [0,1,0,0,0,1|0,0,0]=2 30 B21R3.3818798 OC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3 MCULE-4134461078 [0,1,0,0,0,1|0,0,0]=2 31 B21R3.11154620 O=C(N1CCCC1)C2(CCOCC2)C3=CC=CC=C3 MCULE-4392638674 [0,1,0,0,0,1|1,0,0]=3 32 B17R1.25042 CCCCCC(CCCCC)C1=CC=CC=C1 MCULE-7432901025 [0,0,2,0,0,0|1,0,0]=3 33 B17R1.25042 CCCCCC(CCCCC)C1=CC=CC=N1 MCULE-1534531240 [0,0,2,0,0,0|2,0,0]=4 34 B21R4.2317667 C1=CC2=C(C=C1)C3(CCCCC3)C4=NCCCN24 MCULE-6474345834 [0,0,0,1,0,1|2,0,0]=4 35 B21R4.2317667 C1=CC2=C(C=C1)C3(CCCCC3)C4=NCCCN24 MCULE-7237067546 [0,0,0,1,0,1|2,0,0]=4 36 B19R2.2474 CCCCC[C@@H](C1=CC=CC=C1)N2CCNCC2 MCULE-1688387203 [0,0,1,0,0,1|0,0,0]=2 37 B19R2.2474 CCCCC[C@@H](C1=CC=CC=C1)N2CCNCC2 MCULE-8406349287 [0,0,1,0,0,1|0,0,0]=2 38 B19R2.2474 CCCCC[C@@H](C1=CC=CN=C1)N2CCNCC2 MCULE-3687233164 [0,0,1,0,0,1|1,0,0]=3 39 B19R2.2474 CCCCC[C@@H](C1=CC=CN=C1)N2CCNCC2 MCULE-6141328805 [0,0,1,0,0,1|1,0,0]=3 40 B19R2.2474 CCCCC[C@@H](C1=CC=NC=C1)N2CCNCC2 MCULE-6434641167 [0,0,1,0,0,1|1,0,0]=3 41 B19R2.2474 CCCCC[C@@H](C1=CC=NC=C1)N2CCNCC2 MCULE-8698647285 [0,0,1,0,0,1|1,0,0]=3 42 B19R2.2474 CCCCC[C@@H](C1=NC=CC=C1)N2CCNCC2 MCULE-6702694240 [0,0,1,0,0,1|1,0,0]=3 43 B19R2.2474 CCCCC[C@@H](C1=NC=CC=C1)N2CCNCC2 MCULE-8766756959 [0,0,1,0,0,1|1,0,0]=3 44 B19R2.2474 CCCCC[C@H](C1=CC=CC=C1)N2CCNCC2 MCULE-5252418054 [0,0,1,0,0,1|0,0,0]=2 45 B19R2.2474 CCCCC[C@H](C1=CC=CC=C1)N2CCNCC2 MCULE-8972411764 [0,0,1,0,0,1|0,0,0]=2 46 B19R2.2474 CCCCC[C@H](C1=CC=CN=C1)N2CCNCC2 MCULE-2538346813 [0,0,1,0,0,1|1,0,0]=3 47 B19R2.2474 CCCCC[C@H](C1=CC=CN=C1)N2CCNCC2 MCULE-8740153143 [0,0,1,0,0,1|1,0,0]=3 48 B19R2.2474 CCCCC[C@H](C1=CC=NC=C1)N2CCNCC2 MCULE-2853545967 [0,0,1,0,0,1|1,0,0]=3 49 B19R2.2474 CCCCC[C@H](C1=CC=NC=C1)N2CCNCC2 MCULE-3076524015 [0,0,1,0,0,1|1,0,0]=3 50 B19R2.2474 CCCCC[C@H](C1=NC=CC=C1)N2CCNCC2 MCULE-2052558958 [0,0,1,0,0,1|1,0,0]=3 51 B19R2.2474 CCCCC[C@H](C1=NC=CC=C1)N2CCNCC2 MCULE-4584527011 [0,0,1,0,0,1|1,0,0]=3 52 B21R3.901276 C1=CC=C(C=C1)C2(CCCCCC2)N3CCCCC3 MCULE-3796981813 [0,0,0,0,0,2|0,0,0]=2 53 B21R3.901276 C1=CC=C(C=C1)C2(CCCCCC2)N3CCCCC3 MCULE-5016293265 [0,0,0,0,0,2|0,0,0]=2