0 B38R4.2862394259 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)NCCNC(=S)N b061264a2d41b22e25909f2f7ad0928b [0,0,1,0,0,0|2,0,1]=4 1 B38R4.5055975813 C#CCN(CCO)c1nc2c(n1CC#CC)c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C 942ca2a70b1e282a39e606c018ce2c76 [0,0,1,0,0,0|1,0,2]=4 2 B38R4.5055975813 C=CCN(CCO)c1nc2c(n1CC#CC)c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C d4ad8a4fd6654f9dbdabcbd1e82b13a4 [0,0,1,0,0,0|1,0,2]=4 3 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CC#N)CCO bd08bb33a8272ef4eefb2e4f4f7c8262 [0,0,1,0,0,0|1,0,2]=4 4 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CC=O)CCO cd293adc9349c6fe28b52b1d42c9020c [0,0,1,0,0,0|2,0,1]=4 5 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCC)CCO a9505f0b4156127a4ac9f8b86ede81f7 [0,0,1,0,0,0|1,0,0]=2 6 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCF 411e72137bf02f97b639a238a21f52fd [0,0,1,0,0,0|2,0,0]=3 7 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCO 4a0e631a1a7330d86a74d6a7aeffee29 [0,0,1,0,0,0|2,0,0]=3 8 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCS 30d6f7be2fa9bb55c42767ae4f1fe338 [0,0,1,0,0,0|2,0,0]=3 9 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)COC bcdf1021f03a3866b713c9e32bc5137a [0,0,1,0,0,0|2,0,0]=3 10 B38R4.5055975813 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CSC 86fdafc74f8530035faa749cda7bf01e [0,0,1,0,0,0|2,0,0]=3 11 B40R5.2516184267 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)NC5CCOC(C5)C 6fe2af5f58798407f95743d07af3e7ef [0,0,0,0,0,1|3,0,0]=4 12 B40R5.2516184267 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N[C@@H]5CCO[C@@H](C5)C eb0fc12dc98e7afad59595d7f93163d1 [0,0,0,0,0,1|3,0,0]=4 13 B40R5.2516184267 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N[C@@H]5CCO[C@H](C5)C eae0c5e2969b597dfd885c08cce88ea1 [0,0,0,0,0,1|3,0,0]=4 14 B40R5.2516184267 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N[C@H]5CCO[C@@H](C5)C 97d3e741027a9e74785dbf819db5e0ed [0,0,0,0,0,1|3,0,0]=4 15 B40R5.2516184267 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N[C@H]5CCO[C@H](C5)C 7b0ea4f44f44cd2f2da6473393e28bec [0,0,0,0,0,1|3,0,0]=4 16 B37R4.947972662 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CC)CCO 4b4f8cc373e75a1e84e390e3f5190ed4 [1,0,1,0,0,0|1,0,0]=3 17 B37R4.947972662 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CF)CCO 0052e68fe6e584eb30919a58db81b1d4 [1,0,1,0,0,0|2,0,0]=4 18 B37R4.947972662 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CO)CCO d00c855a13b4deca8deb84dcd2766b05 [1,0,1,0,0,0|2,0,0]=4 19 B39R4.3916976884 C=C(C)CN(CCO)c1nc2c(n1CC#CC)c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C be976e602e584910f339d6bb9b1b9027 [0,1,1,0,0,0|1,0,1]=4 20 B39R4.3916976884 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CC(=O)N 831ddb5fb086ab1ec99e76be38a61a93 [0,1,1,0,0,0|1,0,1]=4 21 B39R4.3916976884 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CC(C)C c26bec718569416cdf2c9975d0af1555 [0,1,1,0,0,0|1,0,0]=3 22 B39R4.3916976884 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CC(C)O e48001c92a249ee6465a308ec2caac2b [0,1,1,0,0,0|1,0,0]=3 23 B39R4.3916976884 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CC(F)F 0d596a90655d4df55c92c69ecbff1bc5 [0,1,1,0,0,0|2,0,0]=4 24 B39R4.3916976884 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CN(C)C 31cf2810b8283613d54afc3b7f027f8b [0,1,1,0,0,0|2,0,0]=4 25 B39R4.3916976884 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)C[C@@H](C)O e9dcf5a516b8dd3fdba2809431cb4541 [0,1,1,0,0,0|1,0,0]=3 26 B39R4.3916976884 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)C[C@H](C)O b1121c2102ea398d6af6209995bc2e3e [0,1,1,0,0,0|1,0,0]=3 27 B39R4.3916976829 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)NCCCC(F)(F)F c09915ab73a689fb56660ef1dc8d5b32 [0,1,1,0,0,0|2,0,0]=4 28 B39R4.3916976889 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)C(C)CC 53414b16dd7c6f030e4b28e7d425fbf4 [0,1,1,0,0,0|1,0,0]=3 29 B39R4.3916976889 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)C(C)CO 84a6db1e0970e3cc7c41a005e209fa0c [0,1,1,0,0,0|2,0,0]=4 30 B39R4.3916976889 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)[C@@H](C)CO 97af55f2883fada72e74961db8e7b2c9 [0,1,1,0,0,0|2,0,0]=4 31 B39R4.3916976889 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)[C@H](C)CO 4ea9612957874d82c32b55a8e2e1e2aa [0,1,1,0,0,0|2,0,0]=4 32 B39R4.3916976890 C#CCCN(CCO)c1nc2c(n1CC#CC)c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C dd5f5b1a1935430b2dae85f656e017c8 [0,1,1,0,0,0|1,0,1]=4 33 B39R4.3916976890 C=CCCN(CCO)c1nc2c(n1CC#CC)c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C b88181da6b9e3431b35ff0e9d164a22d [0,1,1,0,0,0|1,0,1]=4 34 B39R4.3916976890 CC#CCN(CCO)c1nc2c(n1CC#CC)c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C 6deeee76c99bccd90f707a2f6a8589d3 [0,1,1,0,0,0|1,0,1]=4 35 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(C/C=C/C)CCO c358222405566df5ff27df2edf5f910d [0,1,1,0,0,0|1,0,1]=4 36 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(C/C=C\C)CCO 8d3e030cee1c48979c892e48099c31d1 [0,1,1,0,0,0|1,0,1]=4 37 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCC)CCCO 9dfd5ca61acc9949180bcdb04e089ece [0,1,1,0,0,0|1,0,0]=3 38 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCC#N 13b8b4f4606757079393cf858a17bef0 [0,1,1,0,0,0|1,0,1]=4 39 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCC=O 01f2b79645a4469606dc5c5af3695475 [0,1,1,0,0,0|1,0,1]=4 40 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCCC e73cf6841059e0e7ead4daf25fc8efb3 [0,1,1,0,0,0|1,0,0]=3 41 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCCF 8a34582e36d57672ebc42dec07b0ecde [0,1,1,0,0,0|1,0,0]=3 42 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCCO 42d99d148300cd1d37e78e8d8e9021c2 [0,1,1,0,0,0|1,0,0]=3 43 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCCS 70d217c8ec93277d607d18797f48096b [0,1,1,0,0,0|1,0,0]=3 44 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCOC 49d3d1a4fbfc68fa7c0da329086eaa4d [0,1,1,0,0,0|1,0,0]=3 45 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)CCSC 349cb1195c1a2079245cf8f5b5fa4be4 [0,1,1,0,0,0|1,0,0]=3 46 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)COCC 02252d4145bede13a9ed6e7451134e75 [0,1,1,0,0,0|1,0,0]=3 47 B39R4.3916976890 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCS)CCCC 8cc2c774ae4a754e971a16eb580a981a [0,1,1,0,0,0|1,0,0]=3 48 B39R4.5978145695 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CC)CCCCO 773f23d672cffca5df5a2b2ba7fcdd38 [0,1,1,0,0,0|1,0,0]=3 49 B39R4.5978145695 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CC)CCCOC d0e72f88dd218f63bb64440132979215 [0,1,1,0,0,0|2,0,0]=4 50 B39R4.5978145695 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CC)CCOCC 2e89bb3a5da01c59f3a2125f23119201 [0,1,1,0,0,0|2,0,0]=4 51 B41R5.2472711571 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N5CCC[C@@H](C5)NCC ea4f901b31fc505dc00853ade62ec7b9 [0,2,0,0,0,0|0,0,0]=2 52 B41R5.2472711571 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N5CCC[C@@H](C5)NCF de8bbad75a3cc4dabe505f17e849da13 [0,2,0,0,0,0|0,0,0]=2 53 B41R5.2472711571 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N5CCC[C@@H](C5)NCO 13b16c59f5db8bf31e77e346fb188595 [0,2,0,0,0,0|0,0,0]=2 54 B41R5.2472711571 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N5CCC[C@H](C5)NCC 0805fec43cce4f57ce4476072875f7f9 [0,2,0,0,0,0|0,0,0]=2 55 B41R5.2472711571 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N5CCC[C@H](C5)NCF 201607eb6eabe1a8d016bdbdb8c500e9 [0,2,0,0,0,0|0,0,0]=2 56 B41R5.2472711571 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N5CCC[C@H](C5)NCO 925f8b43e7a9c4faaca1f19470b13f39 [0,2,0,0,0,0|0,0,0]=2 57 B39R5.1350382196 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)N(CCO)C5CC5 134418ab34513d81d306997150406a16 [0,0,1,1,0,0|1,0,0]=3 58 B39R4.3916976875 CC#CCn1c(nc2c1c(=O)n(c(=O)n2C)Cc3nc(c4ccccc4n3)C)NC(CCC)CCO ec6ccc0fa32b0601332169474d6f2ac3 [0,0,1,0,0,1|2,0,0]=4