smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645233 1410182542 /nfs/dbraw/zinc/18/25/42/1410182542.db2.gz BIEXFZJYJPAEOA-UHFFFAOYSA-N 2 2 394.563 3.057 20 10 GGCDLP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645233 1410182546 /nfs/dbraw/zinc/18/25/46/1410182546.db2.gz BIEXFZJYJPAEOA-UHFFFAOYSA-N 2 2 394.563 3.057 20 10 GGCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668934 1410187474 /nfs/dbraw/zinc/18/74/74/1410187474.db2.gz YRZMBPNXPNDUPO-HXUWFJFHSA-N 2 2 380.536 3.130 20 10 GGCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668934 1410187482 /nfs/dbraw/zinc/18/74/82/1410187482.db2.gz YRZMBPNXPNDUPO-HXUWFJFHSA-N 2 2 380.536 3.130 20 10 GGCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683433 1410259315 /nfs/dbraw/zinc/25/93/15/1410259315.db2.gz LDSCGSJPESPEHW-AWEZNQCLSA-N 2 2 383.330 3.471 20 10 GGCDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683433 1410259320 /nfs/dbraw/zinc/25/93/20/1410259320.db2.gz LDSCGSJPESPEHW-AWEZNQCLSA-N 2 2 383.330 3.471 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000102420241 1410625721 /nfs/dbraw/zinc/62/57/21/1410625721.db2.gz JGKAGBAMTXRLHI-UHFFFAOYSA-N 2 2 393.531 3.273 20 10 GGCDLP Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000113329529 1412293463 /nfs/dbraw/zinc/29/34/63/1412293463.db2.gz FNDJUYLPFYRRNZ-UHFFFAOYSA-N 2 2 376.884 3.046 20 10 GGCDLP Cc1cc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000154977109 1423097501 /nfs/dbraw/zinc/09/75/01/1423097501.db2.gz BDQVVSFQKBKCMM-UHFFFAOYSA-N 2 2 395.551 3.067 20 10 GGCDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162018630 1424809059 /nfs/dbraw/zinc/80/90/59/1424809059.db2.gz TVRJHWZIFICQPM-IBGZPJMESA-N 2 2 383.536 3.314 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)CC3CCOCC3)CC2)cc1 ZINC000162835728 1424894611 /nfs/dbraw/zinc/89/46/11/1424894611.db2.gz UEKRPHBKVHXNAR-IBGZPJMESA-N 2 2 375.557 3.002 20 10 GGCDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000163680069 1425033088 /nfs/dbraw/zinc/03/30/88/1425033088.db2.gz AJWPBCSCTBIDCF-FQEVSTJZSA-N 2 2 395.547 3.206 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000181419305 1430293665 /nfs/dbraw/zinc/29/36/65/1430293665.db2.gz LLPXJLHNKZJYPL-BDTNDASRSA-N 2 2 387.568 3.001 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc1 ZINC000181419268 1430293705 /nfs/dbraw/zinc/29/37/05/1430293705.db2.gz LLPXJLHNKZJYPL-VSKRKVRLSA-N 2 2 387.568 3.001 20 10 GGCDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027221 1432781935 /nfs/dbraw/zinc/78/19/35/1432781935.db2.gz AVICVEWQLICZFL-LJQANCHMSA-N 2 2 390.911 3.435 20 10 GGCDLP COc1cc(Cl)cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027221 1432781940 /nfs/dbraw/zinc/78/19/40/1432781940.db2.gz AVICVEWQLICZFL-LJQANCHMSA-N 2 2 390.911 3.435 20 10 GGCDLP CCOc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1O ZINC000236896155 1433382492 /nfs/dbraw/zinc/38/24/92/1433382492.db2.gz MALLEYVHTVGUHA-UHFFFAOYSA-N 2 2 399.535 3.101 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000237271005 1433395174 /nfs/dbraw/zinc/39/51/74/1433395174.db2.gz ICOMMFHPJZLXAM-UHFFFAOYSA-N 2 2 383.536 3.320 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc4[nH]ccc43)CC2)cc1 ZINC000237273836 1433395358 /nfs/dbraw/zinc/39/53/58/1433395358.db2.gz SFYCZRHBUCMGOV-UHFFFAOYSA-N 2 2 378.520 3.478 20 10 GGCDLP C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(-n4cc[nH+]c4)cc3)SC2=S)CC1 ZINC000255671571 1433887596 /nfs/dbraw/zinc/88/75/96/1433887596.db2.gz ZUNSTMCVPKCDFR-SFQUDFHCSA-N 2 2 384.530 3.168 20 10 GGCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000270889178 1434785480 /nfs/dbraw/zinc/78/54/80/1434785480.db2.gz LBJGEBBXXAQJFE-UHFFFAOYSA-N 2 2 393.959 3.239 20 10 GGCDLP COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000273502027 1434992971 /nfs/dbraw/zinc/99/29/71/1434992971.db2.gz QGPUWKWBRZOLGV-HNNXBMFYSA-N 2 2 398.507 3.277 20 10 GGCDLP COc1c(O)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000279432007 1435498623 /nfs/dbraw/zinc/49/86/23/1435498623.db2.gz OGQXSYYESKTXRG-UHFFFAOYSA-N 2 2 386.452 3.221 20 10 GGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000185492575 565205769 /nfs/dbraw/zinc/20/57/69/565205769.db2.gz JFEZKPHRVRDLBK-UONOGXRCSA-N 2 2 383.330 3.306 20 10 GGCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182091498 566182337 /nfs/dbraw/zinc/18/23/37/566182337.db2.gz WTKQEBCTUGJJQY-ZDUSSCGKSA-N 2 2 394.313 3.352 20 10 GGCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182091498 566182341 /nfs/dbraw/zinc/18/23/41/566182341.db2.gz WTKQEBCTUGJJQY-ZDUSSCGKSA-N 2 2 394.313 3.352 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]nc3C(C)(C)C)CC2)cc1 ZINC000120863380 1413930325 /nfs/dbraw/zinc/93/03/25/1413930325.db2.gz BXJUYGJGTZYDON-UHFFFAOYSA-N 2 2 385.556 3.018 20 10 GGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126495145 1415470019 /nfs/dbraw/zinc/47/00/19/1415470019.db2.gz UBYDQEMAOMDGEI-INIZCTEOSA-N 2 2 395.482 3.402 20 10 GGCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC000133137782 1416856102 /nfs/dbraw/zinc/85/61/02/1416856102.db2.gz RFIGGJHCCBQRSV-NRFANRHFSA-N 2 2 394.563 3.438 20 10 GGCDLP Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC000133137782 1416856105 /nfs/dbraw/zinc/85/61/05/1416856105.db2.gz RFIGGJHCCBQRSV-NRFANRHFSA-N 2 2 394.563 3.438 20 10 GGCDLP Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1O ZINC000179916433 1429639405 /nfs/dbraw/zinc/63/94/05/1429639405.db2.gz GAMJCBRPQHDTRT-FQEVSTJZSA-N 2 2 380.536 3.130 20 10 GGCDLP Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1O ZINC000179916433 1429639410 /nfs/dbraw/zinc/63/94/10/1429639410.db2.gz GAMJCBRPQHDTRT-FQEVSTJZSA-N 2 2 380.536 3.130 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)CC3CCOCC3)CC2)cc1 ZINC000162835853 1424894712 /nfs/dbraw/zinc/89/47/12/1424894712.db2.gz UEKRPHBKVHXNAR-LJQANCHMSA-N 2 2 375.557 3.002 20 10 GGCDLP Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000164238825 1425090367 /nfs/dbraw/zinc/09/03/67/1425090367.db2.gz UROMYAUNGLNJDU-NRFANRHFSA-N 2 2 394.563 3.438 20 10 GGCDLP Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000164238825 1425090375 /nfs/dbraw/zinc/09/03/75/1425090375.db2.gz UROMYAUNGLNJDU-NRFANRHFSA-N 2 2 394.563 3.438 20 10 GGCDLP CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)c2)CC1 ZINC000184256832 1430863206 /nfs/dbraw/zinc/86/32/06/1430863206.db2.gz NCSDWSGVOLQPIN-UHFFFAOYSA-N 2 2 375.476 3.267 20 10 GGCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2F)CC1 ZINC000190981950 1432542648 /nfs/dbraw/zinc/54/26/48/1432542648.db2.gz UWXSCTOOLSKDKK-UHFFFAOYSA-N 2 2 393.510 3.443 20 10 GGCDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(OC)c3F)cc2F)CC1 ZINC000192681184 1432874759 /nfs/dbraw/zinc/87/47/59/1432874759.db2.gz NUDGXBUIONOOCI-UHFFFAOYSA-N 2 2 375.463 3.405 20 10 GGCDLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000236698676 1433376450 /nfs/dbraw/zinc/37/64/50/1433376450.db2.gz JADSFQRJHUYRBW-UHFFFAOYSA-N 2 2 379.548 3.309 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 ZINC000237271557 1433395305 /nfs/dbraw/zinc/39/53/05/1433395305.db2.gz GGCRIPBULRMIOG-UHFFFAOYSA-N 2 2 398.507 3.214 20 10 GGCDLP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185014789 565171760 /nfs/dbraw/zinc/17/17/60/565171760.db2.gz LVYNHNJDLOAFKP-HNNXBMFYSA-N 2 2 384.362 3.223 20 10 GGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000185492558 565205354 /nfs/dbraw/zinc/20/53/54/565205354.db2.gz JFEZKPHRVRDLBK-KGLIPLIRSA-N 2 2 383.330 3.306 20 10 GGCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000373229509 565275678 /nfs/dbraw/zinc/27/56/78/565275678.db2.gz OLGRTWYGRPOKJA-LBPRGKRZSA-N 2 2 380.286 3.276 20 10 GGCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1O ZINC000373229509 565275683 /nfs/dbraw/zinc/27/56/83/565275683.db2.gz OLGRTWYGRPOKJA-LBPRGKRZSA-N 2 2 380.286 3.276 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC)cc3OC)CC2)cc1 ZINC000015186063 1399144032 /nfs/dbraw/zinc/14/40/32/1399144032.db2.gz NHCPLLKOFAEFIU-UHFFFAOYSA-N 2 2 399.535 3.014 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(OC)cc(OC)c3)CC2)cc1 ZINC000015186144 1399144105 /nfs/dbraw/zinc/14/41/05/1399144105.db2.gz QMLYDKFOIFTXKL-UHFFFAOYSA-N 2 2 399.535 3.014 20 10 GGCDLP Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802920 1405660299 /nfs/dbraw/zinc/66/02/99/1405660299.db2.gz YUBOJGUPNAZQLD-UHFFFAOYSA-N 2 2 394.563 3.383 20 10 GGCDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092664330 1410183296 /nfs/dbraw/zinc/18/32/96/1410183296.db2.gz OAYMHXUMRXBVNQ-HOTGVXAUSA-N 2 2 396.373 3.145 20 10 GGCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668936 1410187852 /nfs/dbraw/zinc/18/78/52/1410187852.db2.gz YRZMBPNXPNDUPO-FQEVSTJZSA-N 2 2 380.536 3.130 20 10 GGCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000092668936 1410187865 /nfs/dbraw/zinc/18/78/65/1410187865.db2.gz YRZMBPNXPNDUPO-FQEVSTJZSA-N 2 2 380.536 3.130 20 10 GGCDLP C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(-n4cc[nH+]c4)cc3)SC2=S)CC1 ZINC000126477931 1415465274 /nfs/dbraw/zinc/46/52/74/1415465274.db2.gz ZUNSTMCVPKCDFR-ATVHPVEESA-N 2 2 384.530 3.168 20 10 GGCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000126495390 1415469944 /nfs/dbraw/zinc/46/99/44/1415469944.db2.gz UBYDQEMAOMDGEI-MRXNPFEDSA-N 2 2 395.482 3.402 20 10 GGCDLP Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1O ZINC000179916416 1429639353 /nfs/dbraw/zinc/63/93/53/1429639353.db2.gz GAMJCBRPQHDTRT-HXUWFJFHSA-N 2 2 380.536 3.130 20 10 GGCDLP Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1O ZINC000179916416 1429639356 /nfs/dbraw/zinc/63/93/56/1429639356.db2.gz GAMJCBRPQHDTRT-HXUWFJFHSA-N 2 2 380.536 3.130 20 10 GGCDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000162018760 1424809304 /nfs/dbraw/zinc/80/93/04/1424809304.db2.gz TVRJHWZIFICQPM-LJQANCHMSA-N 2 2 383.536 3.314 20 10 GGCDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCOCC2)cc1 ZINC000163680169 1425033060 /nfs/dbraw/zinc/03/30/60/1425033060.db2.gz AJWPBCSCTBIDCF-HXUWFJFHSA-N 2 2 395.547 3.206 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000181419351 1430293883 /nfs/dbraw/zinc/29/38/83/1430293883.db2.gz QHVBLQFIGWIAIC-IBGZPJMESA-N 2 2 378.520 3.430 20 10 GGCDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000185141218 1431071191 /nfs/dbraw/zinc/07/11/91/1431071191.db2.gz BPGRWOXKKOESHR-UHFFFAOYSA-N 2 2 394.441 3.293 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C3CCSCC3)CC2)cc1 ZINC000186949374 1431574668 /nfs/dbraw/zinc/57/46/68/1431574668.db2.gz SGSZJWVLYYWMNB-GOSISDBHSA-N 2 2 377.598 3.329 20 10 GGCDLP CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000236961120 1433384029 /nfs/dbraw/zinc/38/40/29/1433384029.db2.gz RBDMNTVZZVZWPQ-OAQYLSRUSA-N 2 2 385.527 3.181 20 10 GGCDLP CCN(CC)c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1F ZINC000236961120 1433384032 /nfs/dbraw/zinc/38/40/32/1433384032.db2.gz RBDMNTVZZVZWPQ-OAQYLSRUSA-N 2 2 385.527 3.181 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(F)c(F)c(F)c3)CC2)cc1 ZINC000237271190 1433395298 /nfs/dbraw/zinc/39/52/98/1433395298.db2.gz YMJWWRXWKBVHIP-UHFFFAOYSA-N 2 2 393.453 3.414 20 10 GGCDLP O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000237960049 1433437130 /nfs/dbraw/zinc/43/71/30/1433437130.db2.gz UNRXDKDGUHJLJI-XMMPIXPASA-N 2 2 379.548 3.186 20 10 GGCDLP O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000237960049 1433437131 /nfs/dbraw/zinc/43/71/31/1433437131.db2.gz UNRXDKDGUHJLJI-XMMPIXPASA-N 2 2 379.548 3.186 20 10 GGCDLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)ccc1O ZINC000273380872 1434984779 /nfs/dbraw/zinc/98/47/79/1434984779.db2.gz IGCPJNXNCAWMRU-HNNXBMFYSA-N 2 2 387.911 3.284 20 10 GGCDLP COc1c(O)c(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512494 1435396234 /nfs/dbraw/zinc/39/62/34/1435396234.db2.gz QCUBAMVOGHYWQM-CRAIPNDOSA-N 2 2 385.464 3.309 20 10 GGCDLP COc1c(O)c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512494 1435396238 /nfs/dbraw/zinc/39/62/38/1435396238.db2.gz QCUBAMVOGHYWQM-CRAIPNDOSA-N 2 2 385.464 3.309 20 10 GGCDLP COc1c(O)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278947619 1435443885 /nfs/dbraw/zinc/44/38/85/1435443885.db2.gz YYRLEXQKSMECLK-UHFFFAOYSA-N 2 2 385.464 3.106 20 10 GGCDLP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185014297 565172091 /nfs/dbraw/zinc/17/20/91/565172091.db2.gz BDJMVEYYTAZOAP-HNNXBMFYSA-N 2 2 384.362 3.223 20 10 GGCDLP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185014316 565172116 /nfs/dbraw/zinc/17/21/16/565172116.db2.gz BDJMVEYYTAZOAP-OAHLLOKOSA-N 2 2 384.362 3.223 20 10 GGCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000373229500 565275294 /nfs/dbraw/zinc/27/52/94/565275294.db2.gz OLGRTWYGRPOKJA-GFCCVEGCSA-N 2 2 380.286 3.276 20 10 GGCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1O ZINC000373229500 565275298 /nfs/dbraw/zinc/27/52/98/565275298.db2.gz OLGRTWYGRPOKJA-GFCCVEGCSA-N 2 2 380.286 3.276 20 10 GGCDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092664328 1410183957 /nfs/dbraw/zinc/18/39/57/1410183957.db2.gz OAYMHXUMRXBVNQ-IYBDPMFKSA-N 2 2 396.373 3.145 20 10 GGCDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092664328 1410183964 /nfs/dbraw/zinc/18/39/64/1410183964.db2.gz OAYMHXUMRXBVNQ-IYBDPMFKSA-N 2 2 396.373 3.145 20 10 GGCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668652 1410187589 /nfs/dbraw/zinc/18/75/89/1410187589.db2.gz AZTAZGCLFIALCN-QFIPXVFZSA-N 2 2 393.579 3.182 20 10 GGCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668652 1410187600 /nfs/dbraw/zinc/18/76/00/1410187600.db2.gz AZTAZGCLFIALCN-QFIPXVFZSA-N 2 2 393.579 3.182 20 10 GGCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668650 1410187782 /nfs/dbraw/zinc/18/77/82/1410187782.db2.gz AZTAZGCLFIALCN-JOCHJYFZSA-N 2 2 393.579 3.182 20 10 GGCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668650 1410187790 /nfs/dbraw/zinc/18/77/90/1410187790.db2.gz AZTAZGCLFIALCN-JOCHJYFZSA-N 2 2 393.579 3.182 20 10 GGCDLP Oc1cccc(Cl)c1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000113328868 1412293357 /nfs/dbraw/zinc/29/33/57/1412293357.db2.gz UAIJCDBGCODQGT-UHFFFAOYSA-N 2 2 376.884 3.046 20 10 GGCDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000155158790 1423202703 /nfs/dbraw/zinc/20/27/03/1423202703.db2.gz XLIJLTMZJIBQJO-IBGZPJMESA-N 2 2 383.536 3.314 20 10 GGCDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(N(C)C)cc1 ZINC000155158902 1423202981 /nfs/dbraw/zinc/20/29/81/1423202981.db2.gz XLIJLTMZJIBQJO-LJQANCHMSA-N 2 2 383.536 3.314 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000162832625 1424894728 /nfs/dbraw/zinc/89/47/28/1424894728.db2.gz DPMOEORCKFOUHZ-LJQANCHMSA-N 2 2 385.556 3.336 20 10 GGCDLP Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000164238684 1425090721 /nfs/dbraw/zinc/09/07/21/1425090721.db2.gz UROMYAUNGLNJDU-OAQYLSRUSA-N 2 2 394.563 3.438 20 10 GGCDLP Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000164238684 1425090723 /nfs/dbraw/zinc/09/07/23/1425090723.db2.gz UROMYAUNGLNJDU-OAQYLSRUSA-N 2 2 394.563 3.438 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3ccc(C#N)cc3)CC2)cc1 ZINC000181419372 1430293671 /nfs/dbraw/zinc/29/36/71/1430293671.db2.gz QHVBLQFIGWIAIC-LJQANCHMSA-N 2 2 378.520 3.430 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181419411 1430293858 /nfs/dbraw/zinc/29/38/58/1430293858.db2.gz MEACYXJORZXKHW-LJQANCHMSA-N 2 2 378.520 3.430 20 10 GGCDLP CN(C)c1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237123685 1433389925 /nfs/dbraw/zinc/38/99/25/1433389925.db2.gz NPQCFFGGLIGYJY-UHFFFAOYSA-N 2 2 380.580 3.440 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000237271742 1433395272 /nfs/dbraw/zinc/39/52/72/1433395272.db2.gz PVYIBUHTNUCKGU-UHFFFAOYSA-N 2 2 375.463 3.275 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000237273882 1433395282 /nfs/dbraw/zinc/39/52/82/1433395282.db2.gz YNNIOVPOZZBQLD-UHFFFAOYSA-N 2 2 378.520 3.478 20 10 GGCDLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(Cl)ccc1O ZINC000273380873 1434984743 /nfs/dbraw/zinc/98/47/43/1434984743.db2.gz IGCPJNXNCAWMRU-OAHLLOKOSA-N 2 2 387.911 3.284 20 10 GGCDLP CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)c2)CC1 ZINC000274483037 1435073853 /nfs/dbraw/zinc/07/38/53/1435073853.db2.gz PFTADTIKCXCWAB-UHFFFAOYSA-N 2 2 389.503 3.326 20 10 GGCDLP COc1c(O)c(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512513 1435396196 /nfs/dbraw/zinc/39/61/96/1435396196.db2.gz QCUBAMVOGHYWQM-QAPCUYQASA-N 2 2 385.464 3.309 20 10 GGCDLP COc1c(O)c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512513 1435396198 /nfs/dbraw/zinc/39/61/98/1435396198.db2.gz QCUBAMVOGHYWQM-QAPCUYQASA-N 2 2 385.464 3.309 20 10 GGCDLP COc1c(O)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512503 1435396285 /nfs/dbraw/zinc/39/62/85/1435396285.db2.gz QCUBAMVOGHYWQM-MAUKXSAKSA-N 2 2 385.464 3.309 20 10 GGCDLP COc1c(O)c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512503 1435396286 /nfs/dbraw/zinc/39/62/86/1435396286.db2.gz QCUBAMVOGHYWQM-MAUKXSAKSA-N 2 2 385.464 3.309 20 10 GGCDLP COc1c(O)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932760 1435441386 /nfs/dbraw/zinc/44/13/86/1435441386.db2.gz WNPQVXUKCWCYJW-CQSZACIVSA-N 2 2 391.493 3.372 20 10 GGCDLP COc1c(O)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932760 1435441391 /nfs/dbraw/zinc/44/13/91/1435441391.db2.gz WNPQVXUKCWCYJW-CQSZACIVSA-N 2 2 391.493 3.372 20 10 GGCDLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000185492593 565205710 /nfs/dbraw/zinc/20/57/10/565205710.db2.gz JFEZKPHRVRDLBK-ZIAGYGMSSA-N 2 2 383.330 3.306 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC)c(OC)c3)CC2)cc1 ZINC000015186074 1399144063 /nfs/dbraw/zinc/14/40/63/1399144063.db2.gz LNMHWSOWGZUXNN-UHFFFAOYSA-N 2 2 399.535 3.014 20 10 GGCDLP Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000104191743 1410886622 /nfs/dbraw/zinc/88/66/22/1410886622.db2.gz XTKYUTIKMAXMID-UHFFFAOYSA-N 2 2 388.581 3.254 20 10 GGCDLP Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000104191743 1410886623 /nfs/dbraw/zinc/88/66/23/1410886623.db2.gz XTKYUTIKMAXMID-UHFFFAOYSA-N 2 2 388.581 3.254 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cccc(CO)c3)CC2)cc1 ZINC000121047936 1413988724 /nfs/dbraw/zinc/98/87/24/1413988724.db2.gz JSXUMGXMSRKACW-LJQANCHMSA-N 2 2 383.536 3.050 20 10 GGCDLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268281 1417046732 /nfs/dbraw/zinc/04/67/32/1417046732.db2.gz JUVNZXWJOIWDBZ-SFHVURJKSA-N 2 2 390.915 3.112 20 10 GGCDLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268281 1417046737 /nfs/dbraw/zinc/04/67/37/1417046737.db2.gz JUVNZXWJOIWDBZ-SFHVURJKSA-N 2 2 390.915 3.112 20 10 GGCDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268259 1417046983 /nfs/dbraw/zinc/04/69/83/1417046983.db2.gz JUVNZXWJOIWDBZ-GOSISDBHSA-N 2 2 390.915 3.112 20 10 GGCDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268259 1417046986 /nfs/dbraw/zinc/04/69/86/1417046986.db2.gz JUVNZXWJOIWDBZ-GOSISDBHSA-N 2 2 390.915 3.112 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc(F)c3F)CC2)cc1 ZINC000237272664 1433395279 /nfs/dbraw/zinc/39/52/79/1433395279.db2.gz PCTHFEFTBKRDPS-UHFFFAOYSA-N 2 2 375.463 3.275 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000237271931 1433395319 /nfs/dbraw/zinc/39/53/19/1433395319.db2.gz XHPAERBPGSLVGK-UHFFFAOYSA-N 2 2 382.552 3.063 20 10 GGCDLP Fc1cc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)ccc1N1CCOCC1 ZINC000272659301 1434920528 /nfs/dbraw/zinc/92/05/28/1434920528.db2.gz HHFPIFNQDHGKNU-UHFFFAOYSA-N 2 2 389.437 3.169 20 10 GGCDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092664333 1410183574 /nfs/dbraw/zinc/18/35/74/1410183574.db2.gz OAYMHXUMRXBVNQ-HZPDHXFCSA-N 2 2 396.373 3.145 20 10 GGCDLP COc1cc[nH+]c(N2CC[NH+](Cc3c(O)ccc4ccc(OC)cc43)CC2)c1 ZINC000104654717 1410921414 /nfs/dbraw/zinc/92/14/14/1410921414.db2.gz UZXXYGUMQAZRTM-UHFFFAOYSA-N 2 2 379.460 3.280 20 10 GGCDLP Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000112921629 1412241583 /nfs/dbraw/zinc/24/15/83/1412241583.db2.gz UVKKUBMNHPDGLS-UHFFFAOYSA-N 2 2 382.552 3.192 20 10 GGCDLP Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000112921629 1412241590 /nfs/dbraw/zinc/24/15/90/1412241590.db2.gz UVKKUBMNHPDGLS-UHFFFAOYSA-N 2 2 382.552 3.192 20 10 GGCDLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1O ZINC000130736223 1416438902 /nfs/dbraw/zinc/43/89/02/1416438902.db2.gz SBCRWLVKWLDMMV-UHFFFAOYSA-N 2 2 397.519 3.075 20 10 GGCDLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1O ZINC000130736223 1416438906 /nfs/dbraw/zinc/43/89/06/1416438906.db2.gz SBCRWLVKWLDMMV-UHFFFAOYSA-N 2 2 397.519 3.075 20 10 GGCDLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2)C1 ZINC000182202938 1430429519 /nfs/dbraw/zinc/42/95/19/1430429519.db2.gz RUIYHKHIFJKRTH-SFHVURJKSA-N 2 2 387.911 3.033 20 10 GGCDLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2)C1 ZINC000182202938 1430429521 /nfs/dbraw/zinc/42/95/21/1430429521.db2.gz RUIYHKHIFJKRTH-SFHVURJKSA-N 2 2 387.911 3.033 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cc(OC)ccc3O)CC2)cc1 ZINC000184900613 1431016939 /nfs/dbraw/zinc/01/69/39/1431016939.db2.gz DZKRUGVDMLLZFC-SFHVURJKSA-N 2 2 399.535 3.272 20 10 GGCDLP COc1cc(Cl)cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027227 1432781789 /nfs/dbraw/zinc/78/17/89/1432781789.db2.gz AVICVEWQLICZFL-IBGZPJMESA-N 2 2 390.911 3.435 20 10 GGCDLP COc1cc(Cl)cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1O ZINC000192027227 1432781791 /nfs/dbraw/zinc/78/17/91/1432781791.db2.gz AVICVEWQLICZFL-IBGZPJMESA-N 2 2 390.911 3.435 20 10 GGCDLP OCC1CCN(c2ccc(C[NH2+]C3CC[NH+](CCC(F)(F)F)CC3)cc2)CC1 ZINC000272719417 1434925781 /nfs/dbraw/zinc/92/57/81/1434925781.db2.gz MNEOQRNHQQJQHZ-UHFFFAOYSA-N 2 2 399.501 3.402 20 10 GGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C(=O)OC)co3)cc2F)CC1 ZINC000278886325 1435435667 /nfs/dbraw/zinc/43/56/67/1435435667.db2.gz YGQRLGWQMCYZMT-HNNXBMFYSA-N 2 2 389.471 3.198 20 10 GGCDLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1O ZINC000185492538 565204979 /nfs/dbraw/zinc/20/49/79/565204979.db2.gz JFEZKPHRVRDLBK-KBPBESRZSA-N 2 2 383.330 3.306 20 10 GGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1O ZINC000273474284 565322913 /nfs/dbraw/zinc/32/29/13/565322913.db2.gz KKFHLNXDINRXLB-JCURWCKSSA-N 2 2 383.330 3.183 20 10 GGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1O ZINC000273474282 565322951 /nfs/dbraw/zinc/32/29/51/565322951.db2.gz KKFHLNXDINRXLB-AFAVFJNCSA-N 2 2 383.330 3.183 20 10 GGCDLP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182091515 566182297 /nfs/dbraw/zinc/18/22/97/566182297.db2.gz WTKQEBCTUGJJQY-CYBMUJFWSA-N 2 2 394.313 3.352 20 10 GGCDLP COc1cc(Br)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1O ZINC000182091515 566182302 /nfs/dbraw/zinc/18/23/02/566182302.db2.gz WTKQEBCTUGJJQY-CYBMUJFWSA-N 2 2 394.313 3.352 20 10 GGCDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683432 1410259058 /nfs/dbraw/zinc/25/90/58/1410259058.db2.gz LDSCGSJPESPEHW-CQSZACIVSA-N 2 2 383.330 3.471 20 10 GGCDLP COc1cc(Br)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1O ZINC000093683432 1410259061 /nfs/dbraw/zinc/25/90/61/1410259061.db2.gz LDSCGSJPESPEHW-CQSZACIVSA-N 2 2 383.330 3.471 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cn(C)nc3C(C)(C)C)CC2)cc1 ZINC000093946598 1410289268 /nfs/dbraw/zinc/28/92/68/1410289268.db2.gz HGTRLVUMGHNFKE-UHFFFAOYSA-N 2 2 399.583 3.028 20 10 GGCDLP COc1ccc(O)c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000179899142 1429630594 /nfs/dbraw/zinc/63/05/94/1429630594.db2.gz OKKZTTXSGZITFG-UHFFFAOYSA-N 2 2 383.536 3.088 20 10 GGCDLP COCc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000174248833 1427068922 /nfs/dbraw/zinc/06/89/22/1427068922.db2.gz QUXKYPTUSXLZPK-UHFFFAOYSA-N 2 2 383.536 3.144 20 10 GGCDLP CCC[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1O ZINC000174372510 1427125504 /nfs/dbraw/zinc/12/55/04/1427125504.db2.gz NWODZUNGUQBVIB-UHFFFAOYSA-N 2 2 387.549 3.010 20 10 GGCDLP CCC[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1O ZINC000174372510 1427125510 /nfs/dbraw/zinc/12/55/10/1427125510.db2.gz NWODZUNGUQBVIB-UHFFFAOYSA-N 2 2 387.549 3.010 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cccc(C#N)c3)CC2)cc1 ZINC000181419394 1430293896 /nfs/dbraw/zinc/29/38/96/1430293896.db2.gz MEACYXJORZXKHW-IBGZPJMESA-N 2 2 378.520 3.430 20 10 GGCDLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2)C1 ZINC000182202964 1430429529 /nfs/dbraw/zinc/42/95/29/1430429529.db2.gz RUIYHKHIFJKRTH-GOSISDBHSA-N 2 2 387.911 3.033 20 10 GGCDLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3O)c2)C1 ZINC000182202964 1430429531 /nfs/dbraw/zinc/42/95/31/1430429531.db2.gz RUIYHKHIFJKRTH-GOSISDBHSA-N 2 2 387.911 3.033 20 10 GGCDLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183073472 1430606309 /nfs/dbraw/zinc/60/63/09/1430606309.db2.gz DIMACZIFUOBHGI-UHFFFAOYSA-N 2 2 384.520 3.250 20 10 GGCDLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183073472 1430606322 /nfs/dbraw/zinc/60/63/22/1430606322.db2.gz DIMACZIFUOBHGI-UHFFFAOYSA-N 2 2 384.520 3.250 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC)c(C)c3)CC2)cc1 ZINC000237272065 1433395256 /nfs/dbraw/zinc/39/52/56/1433395256.db2.gz QZTWZVOXOILZQP-UHFFFAOYSA-N 2 2 383.536 3.314 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(F)cc3F)CC2)cc1 ZINC000237271837 1433395287 /nfs/dbraw/zinc/39/52/87/1433395287.db2.gz DPLPAOWYVOULNY-UHFFFAOYSA-N 2 2 375.463 3.275 20 10 GGCDLP COc1cccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000237371213 1433399304 /nfs/dbraw/zinc/39/93/04/1433399304.db2.gz TVWDZKNINIUKHZ-UHFFFAOYSA-N 2 2 383.536 3.088 20 10 GGCDLP COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000273502031 1434992937 /nfs/dbraw/zinc/99/29/37/1434992937.db2.gz QGPUWKWBRZOLGV-OAHLLOKOSA-N 2 2 398.507 3.277 20 10 GGCDLP COc1c(O)c(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512521 1435396217 /nfs/dbraw/zinc/39/62/17/1435396217.db2.gz QCUBAMVOGHYWQM-YJBOKZPZSA-N 2 2 385.464 3.309 20 10 GGCDLP COc1c(O)c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278512521 1435396220 /nfs/dbraw/zinc/39/62/20/1435396220.db2.gz QCUBAMVOGHYWQM-YJBOKZPZSA-N 2 2 385.464 3.309 20 10 GGCDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C(=O)OC)co3)cc2F)CC1 ZINC000278886331 1435435635 /nfs/dbraw/zinc/43/56/35/1435435635.db2.gz YGQRLGWQMCYZMT-OAHLLOKOSA-N 2 2 389.471 3.198 20 10 GGCDLP COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932758 1435441418 /nfs/dbraw/zinc/44/14/18/1435441418.db2.gz WNPQVXUKCWCYJW-AWEZNQCLSA-N 2 2 391.493 3.372 20 10 GGCDLP COc1c(O)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932758 1435441420 /nfs/dbraw/zinc/44/14/20/1435441420.db2.gz WNPQVXUKCWCYJW-AWEZNQCLSA-N 2 2 391.493 3.372 20 10 GGCDLP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185014809 565172167 /nfs/dbraw/zinc/17/21/67/565172167.db2.gz LVYNHNJDLOAFKP-OAHLLOKOSA-N 2 2 384.362 3.223 20 10 GGCDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000273474288 565322308 /nfs/dbraw/zinc/32/23/08/565322308.db2.gz KKFHLNXDINRXLB-ZLIFDBKOSA-N 2 2 383.330 3.183 20 10 GGCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1O ZINC000273474286 565322696 /nfs/dbraw/zinc/32/26/96/565322696.db2.gz KKFHLNXDINRXLB-VUCTXSBTSA-N 2 2 383.330 3.183 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccc(OC)c3OC)CC2)cc1 ZINC000015186072 1399144150 /nfs/dbraw/zinc/14/41/50/1399144150.db2.gz QOPNGGPGTUSIDM-UHFFFAOYSA-N 2 2 399.535 3.014 20 10 GGCDLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1O ZINC000109772020 1411809591 /nfs/dbraw/zinc/80/95/91/1411809591.db2.gz DHBRZXXSNPJATI-UHFFFAOYSA-N 2 2 385.533 3.012 20 10 GGCDLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1O ZINC000109772020 1411809593 /nfs/dbraw/zinc/80/95/93/1411809593.db2.gz DHBRZXXSNPJATI-UHFFFAOYSA-N 2 2 385.533 3.012 20 10 GGCDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000177362053 1428704475 /nfs/dbraw/zinc/70/44/75/1428704475.db2.gz QRLWNUDMBZEBON-UHFFFAOYSA-N 2 2 380.916 3.325 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cccc(CO)c3)CC2)cc1 ZINC000121047856 1413988627 /nfs/dbraw/zinc/98/86/27/1413988627.db2.gz JSXUMGXMSRKACW-IBGZPJMESA-N 2 2 383.536 3.050 20 10 GGCDLP CCCn1nc(C)c(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000132795085 1416815735 /nfs/dbraw/zinc/81/57/35/1416815735.db2.gz FSMZRAAAEGNSPX-UHFFFAOYSA-N 2 2 399.583 3.220 20 10 GGCDLP Cc1cc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC000133137570 1416855728 /nfs/dbraw/zinc/85/57/28/1416855728.db2.gz RFIGGJHCCBQRSV-OAQYLSRUSA-N 2 2 394.563 3.438 20 10 GGCDLP Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1C ZINC000133137570 1416855729 /nfs/dbraw/zinc/85/57/29/1416855729.db2.gz RFIGGJHCCBQRSV-OAQYLSRUSA-N 2 2 394.563 3.438 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)cc1 ZINC000162832754 1424894916 /nfs/dbraw/zinc/89/49/16/1424894916.db2.gz DPMOEORCKFOUHZ-IBGZPJMESA-N 2 2 385.556 3.336 20 10 GGCDLP COc1ccc(N2CCC([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000163719019 1425037598 /nfs/dbraw/zinc/03/75/98/1425037598.db2.gz ORGXYYKRUHABJM-UHFFFAOYSA-N 2 2 395.547 3.286 20 10 GGCDLP COCc1cccc(C[NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000174248851 1427069204 /nfs/dbraw/zinc/06/92/04/1427069204.db2.gz GXCGILATVCNTSQ-UHFFFAOYSA-N 2 2 383.536 3.144 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cc(OC)ccc3O)CC2)cc1 ZINC000184900630 1431017035 /nfs/dbraw/zinc/01/70/35/1431017035.db2.gz DZKRUGVDMLLZFC-GOSISDBHSA-N 2 2 399.535 3.272 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C3CCSCC3)CC2)cc1 ZINC000186949357 1431574496 /nfs/dbraw/zinc/57/44/96/1431574496.db2.gz SGSZJWVLYYWMNB-SFHVURJKSA-N 2 2 377.598 3.329 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(OC)c(F)c3)CC2)cc1 ZINC000237272111 1433395187 /nfs/dbraw/zinc/39/51/87/1433395187.db2.gz RLKQJZISCSYQSR-UHFFFAOYSA-N 2 2 387.499 3.145 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000245885831 1433533674 /nfs/dbraw/zinc/53/36/74/1433533674.db2.gz LLPXJLHNKZJYPL-YPAWHYETSA-N 2 2 387.568 3.001 20 10 GGCDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc1 ZINC000245885826 1433533907 /nfs/dbraw/zinc/53/39/07/1433533907.db2.gz LLPXJLHNKZJYPL-BHDDXSALSA-N 2 2 387.568 3.001 20 10 GGCDLP