0 B22R4.516357943 COC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C34)C MCULE-3284788129 [0,0,0,0,0,0|0,0,0]=0 1 B22R4.516357943 COC1=CC2=C(C=C1)N3CC[NH+](C4=NCCC2=C34)C MCULE-2275173553 [0,0,0,0,0,0|0,0,1]=1 2 B21R4.1405333 CCC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6559420502 [1,0,0,0,0,0|2,0,1]=4 3 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4=NCCC2=C34 MCULE-1319979298 [1,0,0,0,0,0|0,0,0]=1 4 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-4870315498 [1,0,0,0,0,0|1,0,1]=3 5 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5025522184 [1,0,0,0,0,0|1,0,1]=3 6 B21R4.1405333 COC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5455143271 [1,0,0,0,0,0|1,0,1]=3 7 B21R4.136607445 CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)N MCULE-5522806154 [1,0,0,0,0,0|2,0,1]=4 8 B23R4.357483440 CCOC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C34)C MCULE-1133431301 [0,1,0,0,0,0|0,0,0]=1 9 B23R4.357483440 CCOC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C34)C MCULE-7221483612 [0,1,0,0,0,0|0,0,0]=1 10 B21R3.1553672 CN=C1C2=C(C3=C(N2CCN1C)C=CC(=C3)OC)C MCULE-3301736843 [0,0,1,0,0,0|0,0,0]=1 11 B21R3.1553672 CN=C1C2=C(C3=C(N2CCN1C)C=CC(=C3)OC)C MCULE-5893753898 [0,0,1,0,0,0|0,0,0]=1 12 B21R3.62115809 COC1=CC=C2C(=C1)C3=C(N2C)C(=NC=N3)N(C)C MCULE-4288888279 [0,0,1,0,0,0|1,0,1]=3 13 B20R3.29134078 CNC1=NC=NC2=C1N(C3=CC=C(C=C23)OC)C MCULE-5866728726 [1,0,1,0,0,0|1,0,1]=4 14 B20R3.522034 CN=C1C2=CC3=C(N2CCN1C)C=CC(=C3)OC MCULE-4873862394 [1,0,1,0,0,0|0,0,0]=2 15 B20R3.522034 CN=C1C2=CC3=C(N2CCN1C)C=CC(=C3)OC MCULE-7526722804 [1,0,1,0,0,0|0,0,0]=2 16 B20R3.30118169 COC1=CC2=C(C=C1)NC3=C2N=CN=C3N(C)C MCULE-4718154071 [1,0,1,0,0,0|1,0,1]=4 17 B20R3.15087993 CC1=CC=C2C(=C1)C3=C(N2C)C(=NC=N3)N(C)C MCULE-4657706295 [1,0,1,0,0,0|1,0,1]=4 18 B20R4.2858621 CC1=CC2=C(C=C1)N3CCN=C4C3=C2CCC4 MCULE-5978323378 [2,0,0,0,0,0|1,0,1]=4 19 B20R4.2858621 CC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-5189489557 [2,0,0,0,0,0|1,0,1]=4 20 B20R4.2858621 CC1=CC2=C(C=C1)N3CC[NH+]=C4C3=C2CCC4 MCULE-1924180376 [2,0,0,0,0,0|1,0,1]=4 21 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCNC4CCC3 MCULE-7179575512 [2,0,0,0,0,0|1,0,1]=4 22 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCN[C@@H]4CCC3 MCULE-2349903943 [2,0,0,0,0,0|1,0,1]=4 23 B20R4.2858621 CC1=CC=C2C(=C1)C3=C4N2CCN[C@@H]4CCC3 MCULE-4425011529 [2,0,0,0,0,0|1,0,1]=4 24 B20R4.2858621 OC1=CC2=C(C=C1)N3CCNC4C3=C2CCC4 MCULE-6965684724 [2,0,0,0,0,0|1,0,1]=4 25 B22R3.122657822 CCN(CC)C1=NC=NC2=C1NC3=C2C=C(C=C3)OC MCULE-3122861770 [0,1,1,0,0,0|1,0,1]=4 26 B22R4.20689441 COC1=CC2=C(C=C1)N3CCN=C4C3=C2CCN4C MCULE-4565830521 [1,1,0,0,0,0|0,0,2]=4 27 B22R4.20689441 COC1=CC2=C(C=C1)N3CCN=C4C3=C2CCN4C MCULE-5526711973 [1,1,0,0,0,0|0,0,2]=4 28 B22R4.20666081 CCN1CCN2C3=C(C=C(C=C3)C)C4=C2C1CCC4 MCULE-9091079767 [1,1,0,0,0,0|1,0,1]=4 29 B24R4.591910461 CCCOC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C34)C MCULE-3217667737 [0,2,0,0,0,0|0,0,0]=2 30 B24R4.591910461 CCCOC1=CC2=C(C=C1)N3CCN(C4=NCCC2=C34)C MCULE-5395920049 [0,2,0,0,0,0|0,0,0]=2 31 B24R4.22634293 CCCN1CCN2C3=C(C=C(C=C3)OC)C4=C2C1=NCC4 MCULE-5703080493 [0,2,0,0,0,0|0,0,0]=2 32 B24R4.22634293 CCCN1CCN2C3=C(C=C(C=C3)OC)C4=C2C1=NCC4 MCULE-9804295331 [0,2,0,0,0,0|0,0,0]=2 33 B22R4.1335172 COC1=CC2=C(C=C1)N3CCN4CCCN=C4C3=C2 MCULE-3456829543 [0,0,1,1,0,0|0,0,0]=2 34 B22R4.1335172 COC1=CC2=C(C=C1)N3CCN4CCCN=C4C3=C2 MCULE-7919259000 [0,0,1,1,0,0|0,0,0]=2