0 B25R3.3011385 CN(C)CCN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-7363399900 [0,0,0,0,0,0|0,0,0]=0 1 B25R3.3011385 C[NH+](C)CCN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-9793438584 [0,0,0,0,0,0|0,0,1]=1 2 B24R3.2711765 NC(=O)CCN1N=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3 MCULE-6440481444 [0,0,0,0,1,0|3,0,0]=4 3 B24R3.2711765 O=C(O)CCN1N=C(C2=C(C1=O)C=CC=C2)C3=CC=CC=C3 MCULE-1456078746 [0,0,0,0,1,0|3,0,0]=4 4 B24R3.2713899 O=C(O)CN1N=C(C2=CC=CC=C2C1=O)CC3=CC=CC=C3 MCULE-5486238036 [0,0,0,0,1,0|3,0,0]=4 5 B24R3.2713938 CC(C)CCN1C(=O)C2=CC=CC=C2C1NC3=CC=CC=C3 MCULE-1179037478 [0,0,0,0,1,0|2,0,1]=4 6 B26R3.3385261 CN(C)CCCN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-8916947986 [0,0,0,0,0,1|0,0,0]=1 7 B26R3.3385261 C[NH+](C)CCCN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-2743178037 [0,0,0,0,0,1|0,0,1]=2 8 B23R2.472034 CN(C)CCNC(=O)C1=CC=CC=C1SCC2=CC=CC=C2 MCULE-3912027356 [1,0,1,0,0,0|1,0,0]=3 9 B25R3.43796040 NNC(=O)CN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-7891787002 [1,1,0,0,0,0|1,0,1]=4 10 B25R3.19241834 CN(C)C(=O)CN1N=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3 MCULE-5343163453 [0,1,0,0,1,0|0,0,1]=3 11 B25R3.43937950 CNC(=O)CCN1N=C(C2=C(C1=O)C=CC=C2)C3=CC=CC=C3 MCULE-2806650240 [0,1,0,0,1,0|2,0,0]=4 12 B25R3.19241544 CC(C)CCN1C(=O)C2=C(C1(O)CC3=CC=CC=C3)C=CC=C2 MCULE-7320861743 [0,1,0,0,1,0|1,0,1]=4 13 B27R3.42019949 CCN(CC)CCN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-1856663473 [0,2,0,0,0,0|0,0,0]=2 14 B27R3.42019949 CC[NH+](CC)CCN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-9099048021 [0,2,0,0,0,0|0,0,1]=3 15 B27R3.42019949 [NH+](CC)(CC)CCN1N=C(C2=C(C1=O)C=CC=C2)CC3=CC=CC=C3 MCULE-7244942455 [0,2,0,0,0,0|0,0,1]=3 16 B27R4.111763705 CN(C)CCN1C(=O)C2=C(C=CC=C2)C3=C1C4=CC=CC=C4C3=O MCULE-9437411922 [0,1,0,1,0,0|1,0,1]=4 17 B23R2.472036 CC(C)CCNC(=O)C1=C(C=CC=C1)C(=O)C2=CC=CC=C2 MCULE-6473267724 [0,0,1,0,1,0|2,0,0]=4 18 B23R3.1295656 N#CCCN1N=C(C2=C(C1=O)C=CC=C2)C3=CC=CC=C3 MCULE-3002180250 [1,0,0,0,1,0|2,0,0]=4 19 B23R3.349705 CC(C)CN1N=C(C2=C(C1=O)C=CC=C2)C3=CC=CC=C3 MCULE-6863180216 [0,0,0,0,2,0|1,0,0]=3 20 B23R3.349739 C[NH+](C)CCN1C(=O)C2=C(N1C3=CC=CC=C3)C=CC=C2 MCULE-5143451075 [0,0,0,0,2,0|1,0,1]=4 21 B23R3.349739 C[NH+](C)CCN1C(=O)C2=C(N1C3=CC=CC=C3)C=CC=C2 MCULE-6516348900 [0,0,0,0,2,0|1,0,1]=4 22 B25R3.3011377 CC(=O)OCCN1N=C(C2=C(C1=O)C=CC=C2)C3=CC=CC=C3 MCULE-5302961300 [0,0,0,0,1,1|2,0,0]=4