BindingDB logo
myBDB logout

425 SMILES Strings for Adenosine deaminase

Compound NameSMILES String
BDBM50009525 Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM14487 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM22917 NC(=O)c1cn(cn1)C(CO)CCc1ccccc1
BDBM22918 NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(6.29,.5,;7.62,1.27,;8.95,.5,;7.62,2.81,;6.27,3.55,;4.88,2.89,;3.82,4.01,;4.56,5.36,;6.07,5.08,;2.28,4.01,;1.16,5.06,;-.19,4.32,;.09,2.81,;-1.24,2.04,;-2.57,2.81,;-3.91,2.04,;-4.38,.58,;-5.92,.58,;-6.95,-.57,;-8.46,-.25,;-8.94,1.22,;-7.91,2.36,;-6.4,2.04,;-5.15,2.95,;1.62,2.62,)|
BDBM22919 NC(=O)c1cn(cn1)C(CO)CCc1cccc2ccccc12
BDBM22920 Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12 |r|
BDBM22921 NC(=O)c1cn(cn1)C(CO)c1ccccc1
BDBM22922 OCC(c1ccccc1)n1cnc(c1)C(O)=O
BDBM22923 COC(=O)c1cn(cn1)C(CO)c1ccccc1
BDBM22924 OCC(c1ccccc1)n1cnc(CO)c1
BDBM22925 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|
BDBM22926 CCCCCCC(C(C)O)n1cnc2c(N)ncnc12
BDBM22927 CC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
BDBM22928 CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
BDBM22929 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3ccccc3)cc12 |r|
BDBM22930 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCc3ccccc3)cc12 |r|
BDBM22931 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCc3ccccc3)cc12 |r|
BDBM22932 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCCCCc3ccccc3)cc12 |r|
BDBM22933 Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|
BDBM22934 COc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|
BDBM22935 Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)cc1 |r|
BDBM22936 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)CCc3cccnc3)cc12 |r|
BDBM22937 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(NC(=O)NCc3ccccc3)cc12 |r|
BDBM22938 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccccc3)cc12 |r|
BDBM22939 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCCc3ccccc3)cc12 |r|
BDBM22940 CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
BDBM22941 CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
BDBM22942 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2ccc(OCCCc3ccc(Cl)cc3)cc12 |r|
BDBM22943 NC(=O)c1cn(cn1)[C@@H](CO)CCn1ccc2cc(OCCCc3ccccc3)ccc12 |r|
BDBM22944 CCCCCCOc1ccc2n(CC[C@H](CO)n3cnc(c3)C(N)=O)ccc2c1 |r|
BDBM22945 Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccccc3)ccc12 |r|
BDBM22946 CCCCCCOc1ccc2n(C)cc(CC[C@H](CO)n3cnc(c3)C(N)=O)c2c1 |r|
BDBM22947 Cn1cc(CC[C@H](CO)n2cnc(c2)C(N)=O)c2cc(OCCCc3ccc(Cl)cc3)ccc12 |r|
BDBM22948 C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r|
BDBM22949 C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(c1)C(N)=O |r|
BDBM22950 C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(c1)C(N)=O |r|
BDBM21957 NNC(=N)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)NN |r|
BDBM21953 Nc1n[nH]c(=O)c2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
BDBM21954 Nc1n[nH]c(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12 |r|
BDBM21955 Nc1n[nH]c(=O)c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM21956 Nc1n[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r|
BDBM28393 CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r|
BDBM28377 CCCCCCCCCn1cc2c(n1)nc[nH]c2=O
BDBM28378 CCCCCCCCCCn1cc2c(n1)nc[nH]c2=O
BDBM28379 CCCCCCCCCCCn1cc2c(n1)nc[nH]c2=O
BDBM28380 O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)c1ccccc1
BDBM28381 COc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
BDBM28382 Fc1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
BDBM28383 FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
BDBM28384 O=C(Cc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
BDBM28385 O=C(Nc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
BDBM28386 COc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
BDBM28387 Fc1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
BDBM28388 FC(F)(F)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
BDBM28389 CN(C)c1ccc(NC(=O)Nc2ccc(Cn3cc4c(n3)nc[nH]c4=O)cc2)cc1
BDBM28390 O=C(Nc1ccc(Cc2ccccc2)cc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
BDBM28391 O=C(Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1)Nc1ccc(OCc2ccccc2)cc1
BDBM28392 O=C(NCc1ccccc1)Nc1ccc(Cn2cc3c(n2)nc[nH]c3=O)cc1
BDBM32370 Nc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM82055 Nc1nccc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50001103 Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
BDBM50004352 Nc1ncnc2n(cnc12)[C@H]1CC[C@@H](CO)O1
BDBM50003610 CCCCCC[C@H](CO)n1cnc2c(N)ncnc12
BDBM50003601 CCCCCC[C@H](CF)n1cnc2c(N)ncnc12
BDBM50003604 CCCCCC[C@H](CBr)n1cnc2c(N)ncnc12
BDBM50003605 CCCCCCC1C(O)Cn2cnc(=[NH2+])c3ncn1c23
BDBM50003606 CCCCCC[C@H](CCl)n1cnc2c(N)ncnc12
BDBM50003608 CCCCCC[C@H]([C@@H]1CO1)n1cnc2c(N)ncnc12
BDBM50003607 CCCCCC[C@H](CN=[N+]=[N-])n1cnc2c(N)ncnc12
BDBM50003609 CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc12
BDBM50007213 Nc1ncnc2n(cnc12)C1CNC(CO)O1
BDBM50011576 CCCCCCC(C(C)O)n1cnc(C(=O)OCC)c1N
BDBM50011577 CCCCCCC(C(C)O)n1cnc(c1)C(N)=O
BDBM50011579 CCCCCCC(C(C)O)n1cnc(c1)C(O)=O
BDBM50011580 CCCCCCC(C(C)O)n1cnc(C(N)=O)c1N
BDBM50011581 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC1CCCC1
BDBM50011582 CCCCCCC(C(C)O)n1cnc(c1)C(N)=S
BDBM50011583 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCc1ccccc1
BDBM50011584 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC[C@@H](C)O
BDBM50011585 CCCCCCC(C(C)O)n1cnc(CO)c1
BDBM50011586 CCCCCCC(C(C)O)n1cnc(C(N)=O)c1Cl
BDBM50011587 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCCC
BDBM50011589 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC[C@H](C)O
BDBM50011590 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCCO
BDBM50011565 CCCCCCC(C(C)O)n1cnc2c(N)cccc12
BDBM50011566 CCCCCCC(C(C)O)n1ccc2c(N)ncnc12
BDBM50011567 CCCCCCC(C(C)O)n1cnc(c1)C(=O)N(C)C
BDBM50011569 CCCCCCC(C(C)O)n1cnc(c1)C(=O)OCC
BDBM50011570 CCCCCCC(C(C)O)n1cnc(C(N)=N)c1N
BDBM50011571 CCCCCCC(C(C)O)n1cnc(c1)C(N)=N
BDBM50011573 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NC
BDBM50011574 CCCCCCC(C(C)O)n1cnc(CN)c1
BDBM50011575 CCCCCCC(C(C)O)n1cnc2c(N)nccc12
BDBM50011588 CCCCCCC(C(C)O)n1cnc(c1)C(=O)NCC
BDBM50011591 CCCCCCC(C(C)O)n1cnc2c(N)ccnc12
BDBM50023668 Nc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50029129 CC(O)[C@@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O
BDBM50029130 Nc1ncnc2n(cnc12)[C@H](O[C@H](CO)C=O)C=O
BDBM50029133 Nc1ncnc2n(cnc12)[C@@H](O[C@H](CO)C=O)C=O
BDBM50029134 Nc1ncnc2n(cnc12)[C@H](OCC=O)C=O
BDBM50029136 Nc1ncnc2n(cnc12)[C@@H](OCC=O)C=O
BDBM50028485 CC(O)C(OC(C=O)n1cnc2c(N)ncnc12)(C=O)C=O
BDBM50028245 CCCCCCC(C(C)O)n1cnc2cccnc12
BDBM50028152 CCC1=Nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)[C@H](O)CN1 |t:2|
BDBM50028246 CCCCCCC(C(C)O)n1cnc2cncnc12
BDBM50028247 CCCCCCC(C(C)O)n1cnc2cnccc12
BDBM50028153 CC1=Nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](CO)O2)[C@H](O)CN1 |t:1|
BDBM50028156 OCCOCn1cnc2C(O)CNC=Nc12 |c:13|
BDBM50029650 Nc1ncnc2n(COCCO)cnc12
BDBM50029651 Nc1ncnc2n(COCCP(O)(O)=O)cnc12
BDBM50031254 Nc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
BDBM50031261 Nc1ccnc2n(cnc12)C1CC(O)C(CO)O1
BDBM50031265 CNc1cc(Cl)nc2n(cnc12)C1CCC(CO)O1
BDBM50031276 CNc1ccnc2n(cnc12)C1CC(O)C(CO)O1
BDBM50031280 OCC1CCC(O1)n1cnc2c(NC3CC3)ccnc12
BDBM50031283 CNc1ccnc2n(cnc12)C1CCC(CO)O1
BDBM50031290 Nc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1
BDBM50031292 CNc1cc(Cl)nc2n(cnc12)C1CC(O)C(CO)O1
BDBM50031253 OCC1OC(CC1O)n1cnc2c(NC3CCC3)cc(Cl)nc12
BDBM50031255 OCC1OC(CC1O)n1cnc2c(NC3CCCCC3)ccnc12
BDBM50031257 OCC1CCC(O1)n1cnc2c(NC3CCC3)ccnc12
BDBM50031258 OCC1OC(CC1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12
BDBM50031259 OCC1OC(CC1O)n1cnc2c(NC3CCC3)ccnc12
BDBM50031260 OCC1OC(CC1O)n1cnc2c(NC3CC3)ccnc12
BDBM50031262 OCC1OC(CC1O)n1cnc2c(NC3CC3)cc(Cl)nc12
BDBM50031263 OCC1CCC(O1)n1cnc2c(NC3CCCC3)cc(Cl)nc12
BDBM50031264 OCC1OC(CC1O)n1cnc2c(NC3CCCC3)ccnc12
BDBM50031266 OCC1CCC(O1)n1cnc2c(NC3CCCCCCC3)ccnc12
BDBM50031267 OCC1OC(CC1O)n1cnc2c(NC3CCCCCC3)ccnc12
BDBM50031268 Nc1ccnc2n(cnc12)C1CCC(CO)O1
BDBM50031269 OCC1CCC(O1)n1cnc2c(NC3CCCCC3)ccnc12
BDBM50031271 OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)ccnc12
BDBM50031272 OCC1CCC(O1)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12
BDBM50031273 OCC1OC(CC1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12
BDBM50031275 OCC1CCC(O1)n1cnc2c(NC3CC3)cc(Cl)nc12
BDBM50031279 OCC1CCC(O1)n1cnc2c(NC3CCCC3)ccnc12
BDBM50031284 OCC1OC(CC1O)n1cnc2c(NC3CCCCCCC3)ccnc12
BDBM50031285 OCC1OC(CC1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
BDBM50031286 OCC1CCC(O1)n1cnc2c(NC3CCC3)cc(Cl)nc12
BDBM50031289 OCC1OC(CC1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12
BDBM50031291 OCC1CCC(O1)n1cnc2c(NC3CCCCC3)cc(Cl)nc12
BDBM50031294 OCC1CCC(O1)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12
BDBM50034908 CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r|
BDBM50037902 CCCCCC[C@H]([C@H](C)O)n1c2ncnc(N)c2[nH]c1=O
BDBM50037903 CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C=Nc2c1ncnc2N |c:12|
BDBM50037904 CCCCCCC(C(C)O)[N+]1([O-])C([O-])=[NH+]c2c1ncnc2N |c:13|
BDBM50043788 CCCCCCC(C(C)O)n1ccnc1
BDBM50043789 CCCCCCC(C(C)O)n1ncnn1
BDBM50043790 CCCCCCC(C(C)O)n1cncn1
BDBM50043791 CCCCCCC(C(C)O)n1ccnn1
BDBM50043792 CCCCCCC(C(C)O)n1nccn1
BDBM50043793 CCCCCCC(C(C)O)n1cnnn1
BDBM50043794 CCCCCCC(C(C)O)n1cnnc1
BDBM50043795 CCCCCCC(C(C)O)n1cccn1
BDBM50004697 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1n[nH]c2cncnc12
BDBM50044020 CCCCCC[C@H]([C@@H](O)CF)n1cnc2c(N)nccc12
BDBM50044021 CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)nccc12
BDBM50044019 CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc12
BDBM50060165 Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
BDBM50060166 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc(NC=O)c1
BDBM50070640 C[C@H](O)[C@@H](Cc1ccc(C)cc1)n1cnc2c(N)ncnc12
BDBM50070641 C[C@H](O)[C@@H](CCCc1ccccc1C)n1cnc2c(N)ncnc12
BDBM50070642 C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc12
BDBM50070643 C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12
BDBM50070644 CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc23)c1
BDBM50070645 C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12
BDBM50070646 C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc12
BDBM50088426 Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
BDBM50087325 OC1CNC=Nc2c1ncn2CCCCCCC(O)=O |c:4|
BDBM50087326 OCCCCn1cnc2C(O)CNC=Nc12 |c:13|
BDBM50087327 CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)c1ccccc1 |c:18|
BDBM50087413 CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1)C(=O)OCC |c:18|
BDBM50087414 CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC |c:18|
BDBM50087415 CC(CCCCn1cnc2C(O)CNC=Nc12)(C(N)=O)C(O)=O |c:14|
BDBM50087416 CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)C(=O)OCC |c:19|
BDBM50087417 OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccc(Cl)cc1 |c:4|
BDBM50087418 CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NCCc1ccccc1 |c:14|
BDBM50087328 OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(Br)c1)C(O)=O |c:4|
BDBM50087329 OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1cccc(Br)c1 |c:4|
BDBM50087367 COC(=O)c1ccc(CCn2cnc3C(O)CNC=Nc23)cc1 |c:18|
BDBM50087368 OC1CNC=Nc2c1ncn2CCc1cccc(CC([O-])=O)c1 |c:4|
BDBM50087369 OC1CNC=Nc2c1ncn2CCc1csc(c1)C(O)=O |c:4|
BDBM50087330 COC(=O)CCCCn1cnc2C(O)CNC=Nc12 |c:16|
BDBM50087331 CC(C)CC(CCCCn1cnc2C(O)CNC=Nc12)(CC(C)C)C(O)=O |c:17|
BDBM50087332 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O |c:4|
BDBM50087370 CCc1cc(CCn2cnc3C(O)CNC=Nc23)cc(c1)C(O)=O |c:15|
BDBM50087290 OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(Cl)c1)C(O)=O |c:4|
BDBM50087333 CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)c1cccc(Br)c1 |c:18|
BDBM50087334 OC1CNC=Nc2c1ncn2CCCCCC([O-])=O |c:4|
BDBM50087335 CCn1cnc2C(O)CNC=Nc12 |c:10|
BDBM50087336 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)cc(c1)-c1ccccc1 |c:18|
BDBM50087337 COc1ccc(cc1CCCn1cnc2C(O)CNC=Nc12)C(O)=O |c:20|
BDBM50087338 OC1CNC=Nc2c1ncn2CCc1cc(Br)cc(c1)C(O)=O |c:4|
BDBM50087339 OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccc(F)cc1)C(O)=O |c:4|
BDBM50087340 OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccc(Cl)cc1)C(O)=O |c:4|
BDBM50087341 OC1CNC=Nc2c1ncn2CCCc1ccc(o1)C(O)=O |c:4|
BDBM50087342 CCOC(=O)c1cc(CC)cc(CCn2cnc3C(O)CNC=Nc23)c1 |c:22|
BDBM50087343 Cc1ccc(cc1CCCn1cnc2C(O)CNC=Nc12)C([O-])=O |c:19|
BDBM50087344 OC1CNC=Nc2c1ncn2CCCc1cccc(F)c1C(O)=O |c:4|
BDBM50087345 CCCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:20|
BDBM50087346 COC(=O)c1ccc(OC)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|
BDBM50087347 OC1CNC=Nc2c1ncn2CCc1ccc(Cl)c(c1)C(O)=O |c:4|
BDBM50087348 OC1CNC=Nc2c1ncn2CCc1ccc(F)c(c1)C(O)=O |c:4|
BDBM50087349 OC1CNC=Nc2c1ncn2CCOc1cccc(c1)C([O-])=O |c:4|
BDBM50087350 CC(C)c1cccc(C(O)=O)c1SCCn1cnc2C(O)CNC=Nc12 |c:24|
BDBM50087351 COC(=O)c1ccccc1CCCn1cnc2C(O)CNC=Nc12 |c:22|
BDBM50087352 Cc1ccc(CCCn2cnc3C(O)CNC=Nc23)c(c1)C(O)=O |c:16|
BDBM50087371 OC1CNC=Nc2c1ncn2CCCc1ccccc1C([O-])=O |c:4|
BDBM50087372 COC(=O)c1cc(C)ccc1CCCn1cnc2C(O)CNC=Nc12 |c:23|
BDBM50087373 COC(=O)c1cccc(CCCn2cnc3C(O)CNC=Nc23)c1 |c:20|
BDBM50087291 OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)(c1ccccc1)c1ccccc1 |c:4|
BDBM50087292 OCCn1cnc2C(O)CNC=Nc12 |c:11|
BDBM50087293 OCCCCCn1cnc2C(O)CNC=Nc12 |c:14|
BDBM50087294 CC(C)(CCCCn1cnc2C(O)CNC=Nc12)C(O)=O |c:15|
BDBM50087295 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1Br)C(O)=O |c:4|
BDBM50087296 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(Br)cc1)C(O)=O |c:4|
BDBM50087374 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)ccc1C |c:18|
BDBM50087375 OC1CNC=Nc2c1ncn2CC#Cc1cccc(c1)C([O-])=O |c:4|
BDBM50087376 OC1CNC=Nc2c1ncn2Cc1ccc(CC([O-])=O)cc1 |c:4|
BDBM50087377 OC1CNC=Nc2c1ncn2CCc1cccc(c1)C(O)=O |c:4|
BDBM50087378 OC1CNC=Nc2c1ncn2Cc1cccc(CC(O)=O)c1 |c:4|
BDBM50087379 OC1CNC=Nc2c1ncn2CCSc1ccccc1C([O-])=O |c:4|
BDBM50087412 OC1CNC=Nc2c1ncn2CCCCCC(O)=O |c:4|
BDBM50087297 OC1CNC=Nc2c1ncn2Cc1ccccc1 |c:4|
BDBM50087298 OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)c1ccccc1 |c:4|
BDBM50087380 COC(=O)Cc1ccc(Cn2cnc3C(O)CNC=Nc23)cc1 |c:18|
BDBM50087381 COC(=O)c1c(F)cccc1CCCn1cnc2C(O)CNC=Nc12 |c:23|
BDBM50087382 OC1CNC=Nc2c1ncn2CCOc1ccccc1C([O-])=O |c:4|
BDBM50087299 CCOC(=O)CCCCCn1cnc2C(O)CNC=Nc12 |c:18|
BDBM50087300 OCCCCCCn1cnc2C(O)CNC=Nc12 |c:15|
BDBM50087301 OC1CNC=Nc2c1ncn2COCCCC([O-])=O |c:4|
BDBM50087383 OC1CNC=Nc2c1ncn2CCCc1cccc(c1)C([O-])=O |c:4|
BDBM50087384 COC(=O)c1ccccc1OCCn1cnc2C(O)CNC=Nc12 |c:22|
BDBM50087385 OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1ccccc1)C(O)=O |c:4|
BDBM50087386 COC(=O)c1ccc(OC)c(CCn2cnc3C(O)CNC=Nc23)c1 |c:21|
BDBM50087302 OC1CNC=Nc2c1ncn2CCCC#N |c:4|
BDBM50087303 OC1CNC=Nc2c1ncn2CCCCCCC#N |c:4|
BDBM50087304 CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14|
BDBM50087387 CCCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(=O)OC |c:20|
BDBM50087388 Cc1ccc(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:15|
BDBM50087389 CCOC(=O)c1ccc(C)c(CCn2cnc3C(O)CNC=Nc23)c1 |c:21|
BDBM50087390 CC(C)c1cccc(C(O)=O)c1CCCn1cnc2C(O)CNC=Nc12 |c:24|
BDBM50087391 Cc1ccc(C(O)=O)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:20|
BDBM50087392 CCOC(=O)Cc1cccc(Cn2cnc3C(O)CNC=Nc23)c1 |c:20|
BDBM50087393 OC1CNC=Nc2c1ncn2CCCc1c(ccc2ccccc12)C(O)=O |c:4|
BDBM50087394 OC1CNC=Nc2c1ncn2CCc1cc(cc(c1)-c1cccc(Cl)c1)C(O)=O |c:4|
BDBM50087395 COC(=O)c1ccccc1SCCn1cnc2C(O)CNC=Nc12 |c:22|
BDBM50087396 COC(=O)c1ccc(Cn2cnc3C(O)CNC=Nc23)cc1 |c:17|
BDBM50087397 OC1CNC=Nc2c1ncn2CCCc1ccsc1C(O)=O |c:4|
BDBM50087398 Cc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(=O)OCc1ccccc1 |c:18|
BDBM50087399 OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(O)=O |c:4|
BDBM50087400 CC(CCCCn1cnc2C(O)CNC=Nc12)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:14|
BDBM50087401 OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(c1)C(F)(F)F)(C(O)=O)C(O)=O |c:4|
BDBM50087402 CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(c1)C(F)(F)F)C(O)=O |c:14|
BDBM50087403 CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)NC1CCCCC1 |c:14|
BDBM50087404 CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)OCc1ccccc1 |c:14|
BDBM50087405 OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1 |c:4|
BDBM50087406 CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(O)=O |c:14|
BDBM50087407 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O |c:4|
BDBM50087408 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:4|
BDBM50087409 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O |c:4|
BDBM50087410 OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)NCc1ccccc1 |c:4|
BDBM50087411 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)(C(O)=O)C(O)=O |c:4|
BDBM50087305 OC1CNC=Nc2c1ncn2CCCCCCP(O)(O)=O |c:4|
BDBM50087306 COP(O)(=O)CCCCCCn1cnc2C(O)CNC=Nc12 |c:19|
BDBM50087307 CCCCCCCn1cnc2C(O)CNC=Nc12 |c:15|
BDBM50087308 NC(=O)CCCCCn1cnc2C(O)CNC=Nc12 |c:16|
BDBM50087309 CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1 |c:18|
BDBM50087310 OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(Cl)cc1)C(O)=O |c:4|
BDBM50087311 COC(=O)CCCCCCCn1cnc2C(O)CNC=Nc12 |c:19|
BDBM50087312 CCCCCCn1cnc2C(O)CNC=Nc12 |c:14|
BDBM50087313 OC1CNC=Nc2c1ncn2CCCCCCCC(O)=O |c:4|
BDBM50087314 CCCn1cnc2C(O)CNC=Nc12 |c:11|
BDBM50087315 OCCCn1cnc2C(O)CNC=Nc12 |c:12|
BDBM50087316 OC1CNC=Nc2c1ncn2CCCCCP(O)(O)=O |c:4|
BDBM50087353 OC1CNC=Nc2c1ncn2Cc1ccc(o1)C(O)=O |c:4|
BDBM50087354 COC(=O)c1cccc(C(C)C)c1CCCn1cnc2C(O)CNC=Nc12 |c:25|
BDBM50087317 CCCCCCCCn1cnc2C(O)CNC=Nc12 |c:16|
BDBM50087318 CCCCn1cnc2C(O)CNC=Nc12 |c:12|
BDBM50087319 OC1CNC=Nc2c1ncn2CCCCC([O-])=O |c:4|
BDBM50087320 CCOC(=O)CCCCCCn1cnc2C(O)CNC=Nc12 |c:19|
BDBM50087321 OC1CNC=Nc2c1ncn2CCCCC1(Cc2ccccc2C1)C(O)=O |c:4|
BDBM50087322 OC1CNC=Nc2c1ncn2CCCCCc1nnn[nH]1 |c:4|
BDBM50087355 COC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:21|
BDBM50087356 COc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:19|
BDBM50087357 OC1CNC=Nc2c1ncn2CCc1ccc(s1)C(O)=O |c:4|
BDBM50087358 COC(=O)c1ccc2ccccc2c1CCCn1cnc2C(O)CNC=Nc12 |c:27|
BDBM50087359 COC(=O)c1cccc(CCn2cnc3C(O)CNC=Nc23)c1 |c:19|
BDBM50087360 CCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:19|
BDBM50087361 Cc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:18|
BDBM50087362 CCOC(=O)c1cc(Br)cc(CCn2cnc3C(O)CNC=Nc23)c1 |c:21|
BDBM50087363 OCc1ccc(cc1CCn1cnc2C(O)CNC=Nc12)C(O)=O |c:19|
BDBM50087364 COC(=O)c1ccc(C)cc1CCCn1cnc2C(O)CNC=Nc12 |c:23|
BDBM50087365 CNOC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|
BDBM50087366 OC1CNC=Nc2c1ncn2Cc1ccc(cc1)C([O-])=O |c:4|
BDBM50087323 OC1CNC=Nc2c1ncn2CCCCC#N |c:4|
BDBM50087324 CCOC(=O)C(C)(CCCCn1cnc2C(O)CNC=Nc12)Cc1cccc(Br)c1 |c:19|
BDBM50094663 CCCCOCC([C@H](C)O)n1cnc2c(N)ncnc12
BDBM50094662 C[C@H](O)C(COCCc1ccccc1)n1cnc2c(N)ncnc12
BDBM50096157 CCOC(=O)c1c(Cl)c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Cl |c:19|
BDBM50096158 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2cc(Br)ccc2c1 |c:18|
BDBM50096159 OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(=O)OCc1ccccc1 |c:4|
BDBM50096160 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2cccc(c2c1)C(F)(F)F |c:18|
BDBM50096161 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OC(C)C |c:18|
BDBM50096162 OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(=O)OCc2ccccc2)c(Cl)c2CCCCc12 |c:4|
BDBM50096163 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OC |c:18|
BDBM50096164 OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(O)=O)c(Cl)c2CCCCc12 |c:4|
BDBM50096165 OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(O)=O |c:4|
BDBM50096166 OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(OCc2ccccc2)c2CCCCc12 |c:4|
BDBM50096167 COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O |c:14|
BDBM50096168 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OCc1ccccc1 |c:18|
BDBM50096169 OC1CNC=Nc2c1ncn2CCc1cc(cc2ccccc12)C(O)=O |c:4|
BDBM50096170 COc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:21|
BDBM50096171 CC(C)Oc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:23|
BDBM50096172 OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12 |c:4|
BDBM50096173 COC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2ccccc2c1 |c:17|
BDBM50096174 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br |c:18|
BDBM50096175 OC1CNC=Nc2c1ncn2CCc1cc(cc2c(cccc12)C(F)(F)F)C(O)=O |c:4|
BDBM50096176 CCOC(=O)c1cc2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)c1OC |c:25|
BDBM50096177 OC1CNC=Nc2c1ncn2CCc1cc(cc2ccc(Br)cc12)C(O)=O |c:4|
BDBM50096178 CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1 |c:18|
BDBM50099681 COC1=C(OC)\C(OC1=O)=C\Cn1cnc2c(N)ncnc12 |c:2|
BDBM50099682 COC1=C(OC)C(O)(CCn2cnc3c(N)ncnc23)OC1=O |c:2|
BDBM50105934 Nc1ncnc2ncn(COCCO)c12
BDBM50105935 COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)COCCn1cnc2c(N)ncnc12 |c:2|
BDBM50106015 Nc1nc(N)c2NCN(COCCO)c2c(=N)n1
BDBM50105931 Nc1ncnc2ncn(CCOCP(O)(O)=O)c12
BDBM50139880 COc1ccc(COC2N(C)N(C)C=Nc3ncn(Cc4ccc(OC)cc4)c23)cc1 |c:13|
BDBM50139881 COC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:7|
BDBM50139883 CCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:9|
BDBM50139884 COc1ccc(Cn2cnc3N=CN(C)N(C)C(OC(C)C)c23)cc1 |c:11|
BDBM50139885 CCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:8|
BDBM50139886 COCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:10|
BDBM50139887 CCCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:10|
BDBM50139889 COc1ccc(Cn2cnc3N=CN(C)N(C)C(OCc4cccc(C)c4)c23)cc1 |c:11|
BDBM50149224 NC(N)=Nc1nc(cs1)-c1ccc(CNc2cc3ccccc3[nH]2)s1 |(14.54,.89,;13.04,1.21,;12,.06,;12.56,2.68,;11.06,3,;9.92,1.96,;8.59,2.75,;8.9,4.24,;10.44,4.4,;7.17,2.12,;5.84,2.89,;4.7,1.86,;5.33,.46,;4.56,-.87,;3.02,-.87,;2.25,-2.22,;.71,-2.36,;.38,-3.88,;-.95,-4.65,;-.95,-6.19,;.38,-6.96,;1.73,-6.19,;1.73,-4.65,;2.88,-3.62,;6.84,.61,)|
BDBM50171387 CCCCCCCCn1cc2c(N)ncnc2n1
BDBM50171388 CCCCCCC(C(C)O)N1N=CC2C1N=CN=C2N |c:11,16,18|
BDBM50171389 NC1=NC=NC2C1C=NN2CCO |c:3,8,t:1|
BDBM50171391 CCCCCCCn1cc2c(N)ncnc2n1
BDBM50171393 CCCCCCCCCn1cc2c(N)ncnc2n1
BDBM50171394 CCCCCCCCCCn1cc2c(N)ncnc2n1
BDBM50171395 CCCCCCCCCCCn1cc2c(N)ncnc2n1
BDBM50171396 CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1
BDBM50170632 NC(N)=Nc1nc(cs1)-c1ccc(CNc2nc3ccccc3[nH]2)s1 |(14.92,-6.19,;13.82,-5.13,;12.34,-5.56,;14.19,-3.64,;13.07,-2.57,;11.56,-2.83,;10.83,-1.48,;11.91,-.36,;13.3,-1.03,;9.32,-1.27,;8.59,.09,;7.08,-.17,;6.87,-1.69,;5.51,-2.41,;4.21,-1.59,;2.85,-2.32,;2.64,-3.86,;1.12,-4.11,;.29,-5.44,;-1.25,-5.37,;-1.98,-4,;-1.14,-2.71,;.38,-2.76,;1.45,-1.64,;8.24,-2.36,)|
BDBM50170633 C[C@H](O)[C@@H](CCc1cccc2nc(oc12)-c1ccc(Cl)cc1)n1cnc(c1)C(N)=O
BDBM50170634 C[C@H](O)[C@@H](CCc1cccc2oc(nc12)-c1ccc(Cl)cc1)n1cnc(c1)C(N)=O
BDBM50240434 Nc1ncnc2n(cnc12)C(OC(=C)C=O)C=O
BDBM50288071 CCCC#CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
BDBM50288072 CCC\C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
BDBM50288073 CCC\C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
BDBM50303854 CCc1cc(F)c(N)c2nc(-c3ccc(o3)P(O)(O)=O)n(CC(C)C)c12
BDBM50300874 Nc1nc(SCc2ccccc2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50300878 CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50300882 CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50337803 CCCCCCC(C(C)O)n1cc2c(N)ncnc2n1
BDBM50335291 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12
BDBM50335301 CSc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50335302 COc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50335303 CNc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50335304 Nc1nc2cncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50335305 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1c2ncncc2[nH]c1=S |r|
BDBM50335307 Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)[nH]c12 |r|
BDBM50335308 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cnc(Cl)nc12 |r|
BDBM50335309 CSc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335310 CNc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335312 Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335313 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nnc2cncnc12 |r|
BDBM50335292 CSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335293 CCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335294 CCCCCCSc1nc(N)c2nnn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335295 Nc1nc(SCc2ccccc2)nc2n(nnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50335296 CNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335297 CCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335298 CCCNc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 |r|
BDBM50335300 CSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50335306 CCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50335311 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cnc(NCc3ccccc3)nc12 |r|
BDBM50356463 C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(nc12)-n1ccnn1 |r|
BDBM50366815 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM50367208 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2cccnc12 |r|
BDBM50367237 C[C@@H](O)c1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1C |r|
BDBM50367032 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18|
BDBM50378885 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12 |r,c:15,17|
BDBM50378886 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12 |r,c:16,18|
BDBM50369126 OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2[C@H](O)CCC=Nc12 |r,c:18|
BDBM50368235 Nc1cccc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50370598 CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1 |r|
BDBM50368778 Nc1nncc2n(nnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50369057 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)cc(Cl)nc12 |r|
BDBM50369058 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCC3)ccnc12 |r|
BDBM50369061 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)cc(Cl)nc12 |r|
BDBM50369957 COC1=C(OC)\C(OC1=O)=C\COP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(=O)COCCn1cnc2ncnc(N)c12)n1cnc2c(N)ncnc12 |c:2|
BDBM50369958 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](OP(O)(=O)COCCn2cnc3ncnc(N)c23)[C@H]1O
BDBM50369063 CNc1cc(Cl)nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50369065 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCCCC3)ccnc12 |r|
BDBM50368280 OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NO)cc(Cl)nc12 |r|
BDBM50369062 CNc1ccnc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50407749 OC[C@@H]1O[C@@H](C[C@H]1O)n1cnc2[C@H](O)CCC=Nc12 |c:17|
BDBM50407524 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)cc(Cl)nc12 |r|
BDBM50407525 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ccnc12 |r|
BDBM50407526 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)cc(Cl)nc12 |r|
BDBM50407527 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)cc(Cl)nc12 |r|
BDBM50407528 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CC3)ccnc12 |r|
BDBM50407529 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ccnc12 |r|
BDBM50407530 Nc1cc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
BDBM50407531 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)cc(Cl)nc12 |r|
BDBM50407532 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCC3)ccnc12 |r|
BDBM50406548 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NO)ccnc12 |r|
BDBM50404373 Nc1ncnc2n(cnc12)[C@@H](O[C@@H](C=C)C=O)C=O |r|
BDBM50404374 Nc1ncnc2n(cnc12)[C@H](O[C@H](C=C)C=O)C=O |r|
BDBM50404651 CCCCCC[C@@H]([C@H](C)O)n1cnc2c(N)ncnc12
BDBM50404652 CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)ncnc12
BDBM50410268 CCCCCCCC[C@H](O)Cn1cc2c(N)ncnc2n1 |r|
BDBM50410269 CCCCCCC(O)Cn1cc2c(N)ncnc2n1
BDBM50421659 CC(O)[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O
BDBM50421706 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(CO)ncnc12
BDBM50421823 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O |r|
BDBM50421667 C[C@H](O[C@@H](C=O)n1cnc2c(N)ncnc12)C=O
BDBM50422343 CCCc1ccccc1CC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12 |r|
BDBM50421705 CCCCCCC(C(C)O)n1cnc2C(NCNc12)C=O
BDBM50010137 CCCCC(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
BDBM50012527 Cc1ccc(OC[C@H]2O[C@H](C[C@@H]2Oc2ccc(C)cc2)n2cnc3c(NO)ccnc23)cc1 |r|
BDBM50012528 OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(NO)ccnc12 |r|
BDBM50226311 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cccnc1=O |r|