smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004978 565264681 /nfs/dbraw/zinc/26/46/81/565264681.db2.gz XIXGAXOJHVJTCM-CYBMUJFWSA-N 2 2 379.258 3.470 20 5 GGBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004978 565264685 /nfs/dbraw/zinc/26/46/85/565264685.db2.gz XIXGAXOJHVJTCM-CYBMUJFWSA-N 2 2 379.258 3.470 20 5 GGBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000484839724 566459931 /nfs/dbraw/zinc/45/99/31/566459931.db2.gz ZJABITRRDYDLQA-UHFFFAOYSA-N 2 2 397.317 3.328 20 5 GGBDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000571333694 567554830 /nfs/dbraw/zinc/55/48/30/567554830.db2.gz GFOGUZXENCMBNU-UHFFFAOYSA-N 2 2 397.216 3.235 20 5 GGBDLP C[NH+]1CCC([NH+]2CCC(Nc3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000596101054 567608874 /nfs/dbraw/zinc/60/88/74/567608874.db2.gz JAGIBCBBHGKIAO-UHFFFAOYSA-N 2 2 397.317 3.328 20 5 GGBDLP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063778451 1408408292 /nfs/dbraw/zinc/40/82/92/1408408292.db2.gz PQHCKUHZFYQDIJ-UHFFFAOYSA-N 2 2 385.468 3.117 20 5 GGBDLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000063778451 1408408301 /nfs/dbraw/zinc/40/83/01/1408408301.db2.gz PQHCKUHZFYQDIJ-UHFFFAOYSA-N 2 2 385.468 3.117 20 5 GGBDLP CC1CC[NH+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000067796495 1409233407 /nfs/dbraw/zinc/23/34/07/1409233407.db2.gz MXWPKIRERLUPPS-UHFFFAOYSA-N 2 2 385.468 3.022 20 5 GGBDLP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735209 1410261921 /nfs/dbraw/zinc/26/19/21/1410261921.db2.gz HUMRCIGPUVUPCL-UHFFFAOYSA-N 2 2 399.438 3.273 20 5 GGBDLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109122489 1411688328 /nfs/dbraw/zinc/68/83/28/1411688328.db2.gz AGZWPIYWXQASKM-INIZCTEOSA-N 2 2 385.468 3.165 20 5 GGBDLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109122489 1411688331 /nfs/dbraw/zinc/68/83/31/1411688331.db2.gz AGZWPIYWXQASKM-INIZCTEOSA-N 2 2 385.468 3.165 20 5 GGBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868179 1413254838 /nfs/dbraw/zinc/25/48/38/1413254838.db2.gz ZAIFHVWHFKOVKV-CYBMUJFWSA-N 2 2 382.892 3.239 20 5 GGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)o2)cc1 ZINC000119517081 1413472766 /nfs/dbraw/zinc/47/27/66/1413472766.db2.gz SIJNFBZBWJUBRO-UHFFFAOYSA-N 2 2 384.480 3.068 20 5 GGBDLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000127335004 1415741910 /nfs/dbraw/zinc/74/19/10/1415741910.db2.gz FJZKDIPBXFKNTN-UHFFFAOYSA-N 2 2 397.401 3.331 20 5 GGBDLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000149624380 1417778274 /nfs/dbraw/zinc/77/82/74/1417778274.db2.gz LGDHVRGUPFJGMJ-CALCHBBNSA-N 2 2 399.495 3.268 20 5 GGBDLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000149624380 1417778278 /nfs/dbraw/zinc/77/82/78/1417778278.db2.gz LGDHVRGUPFJGMJ-CALCHBBNSA-N 2 2 399.495 3.268 20 5 GGBDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000155493293 1423385365 /nfs/dbraw/zinc/38/53/65/1423385365.db2.gz WHEUETREBDOVMG-UHFFFAOYSA-N 2 2 375.494 3.212 20 5 GGBDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000155493293 1423385373 /nfs/dbraw/zinc/38/53/73/1423385373.db2.gz WHEUETREBDOVMG-UHFFFAOYSA-N 2 2 375.494 3.212 20 5 GGBDLP CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000171979647 1425866691 /nfs/dbraw/zinc/86/66/91/1425866691.db2.gz ZOYZWLRKWSRHKS-UHFFFAOYSA-N 2 2 399.495 3.365 20 5 GGBDLP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000171979647 1425866694 /nfs/dbraw/zinc/86/66/94/1425866694.db2.gz ZOYZWLRKWSRHKS-UHFFFAOYSA-N 2 2 399.495 3.365 20 5 GGBDLP CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972318 1426917467 /nfs/dbraw/zinc/91/74/67/1426917467.db2.gz FDUSETFOYNLZAA-UHFFFAOYSA-N 2 2 397.479 3.167 20 5 GGBDLP CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972318 1426917472 /nfs/dbraw/zinc/91/74/72/1426917472.db2.gz FDUSETFOYNLZAA-UHFFFAOYSA-N 2 2 397.479 3.167 20 5 GGBDLP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000174653975 1427291037 /nfs/dbraw/zinc/29/10/37/1427291037.db2.gz COZYCCXGBGEBDI-UHFFFAOYSA-N 2 2 384.480 3.008 20 5 GGBDLP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](CCc2ccccn2)CC1 ZINC000174653975 1427291048 /nfs/dbraw/zinc/29/10/48/1427291048.db2.gz COZYCCXGBGEBDI-UHFFFAOYSA-N 2 2 384.480 3.008 20 5 GGBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280261 1429823108 /nfs/dbraw/zinc/82/31/08/1429823108.db2.gz DHVRTEAAFKPXOL-ZFWWWQNUSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280261 1429823109 /nfs/dbraw/zinc/82/31/09/1429823109.db2.gz DHVRTEAAFKPXOL-ZFWWWQNUSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280261 1429823114 /nfs/dbraw/zinc/82/31/14/1429823114.db2.gz DHVRTEAAFKPXOL-ZFWWWQNUSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280261 1429823116 /nfs/dbraw/zinc/82/31/16/1429823116.db2.gz DHVRTEAAFKPXOL-ZFWWWQNUSA-N 2 2 399.438 3.163 20 5 GGBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780321 1430034304 /nfs/dbraw/zinc/03/43/04/1430034304.db2.gz AUXAHWMFURVTPJ-DYESRHJHSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780321 1430034310 /nfs/dbraw/zinc/03/43/10/1430034310.db2.gz AUXAHWMFURVTPJ-DYESRHJHSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780321 1430034320 /nfs/dbraw/zinc/03/43/20/1430034320.db2.gz AUXAHWMFURVTPJ-DYESRHJHSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780321 1430034327 /nfs/dbraw/zinc/03/43/27/1430034327.db2.gz AUXAHWMFURVTPJ-DYESRHJHSA-N 2 2 395.507 3.444 20 5 GGBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647453 1430334783 /nfs/dbraw/zinc/33/47/83/1430334783.db2.gz RVKSAHNHUWFJPH-WBVHZDCISA-N 2 2 397.479 3.163 20 5 GGBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647453 1430334785 /nfs/dbraw/zinc/33/47/85/1430334785.db2.gz RVKSAHNHUWFJPH-WBVHZDCISA-N 2 2 397.479 3.163 20 5 GGBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647415 1430334804 /nfs/dbraw/zinc/33/48/04/1430334804.db2.gz RVKSAHNHUWFJPH-NVXWUHKLSA-N 2 2 397.479 3.163 20 5 GGBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647415 1430334807 /nfs/dbraw/zinc/33/48/07/1430334807.db2.gz RVKSAHNHUWFJPH-NVXWUHKLSA-N 2 2 397.479 3.163 20 5 GGBDLP Cn1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094046 1430410280 /nfs/dbraw/zinc/41/02/80/1430410280.db2.gz QIIVYQGBNKXIRA-INIZCTEOSA-N 2 2 394.479 3.184 20 5 GGBDLP Cn1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094046 1430410286 /nfs/dbraw/zinc/41/02/86/1430410286.db2.gz QIIVYQGBNKXIRA-INIZCTEOSA-N 2 2 394.479 3.184 20 5 GGBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101258 1430612988 /nfs/dbraw/zinc/61/29/88/1430612988.db2.gz RSBNUFOFWSMULP-GJZGRUSLSA-N 2 2 375.469 3.204 20 5 GGBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101258 1430612995 /nfs/dbraw/zinc/61/29/95/1430612995.db2.gz RSBNUFOFWSMULP-GJZGRUSLSA-N 2 2 375.469 3.204 20 5 GGBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101234 1430613105 /nfs/dbraw/zinc/61/31/05/1430613105.db2.gz RSBNUFOFWSMULP-HUUCEWRRSA-N 2 2 375.469 3.204 20 5 GGBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101234 1430613111 /nfs/dbraw/zinc/61/31/11/1430613111.db2.gz RSBNUFOFWSMULP-HUUCEWRRSA-N 2 2 375.469 3.204 20 5 GGBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101216 1430613191 /nfs/dbraw/zinc/61/31/91/1430613191.db2.gz RSBNUFOFWSMULP-LSDHHAIUSA-N 2 2 375.469 3.204 20 5 GGBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101216 1430613194 /nfs/dbraw/zinc/61/31/94/1430613194.db2.gz RSBNUFOFWSMULP-LSDHHAIUSA-N 2 2 375.469 3.204 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191478882 1432668724 /nfs/dbraw/zinc/66/87/24/1432668724.db2.gz XBHRWEUMXHCGCW-UHFFFAOYSA-N 2 2 393.875 3.358 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191478882 1432668727 /nfs/dbraw/zinc/66/87/27/1432668727.db2.gz XBHRWEUMXHCGCW-UHFFFAOYSA-N 2 2 393.875 3.358 20 5 GGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107473 1432799513 /nfs/dbraw/zinc/79/95/13/1432799513.db2.gz QRGBICVTUNTYPJ-KRWDZBQOSA-N 2 2 378.436 3.170 20 5 GGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107473 1432799519 /nfs/dbraw/zinc/79/95/19/1432799519.db2.gz QRGBICVTUNTYPJ-KRWDZBQOSA-N 2 2 378.436 3.170 20 5 GGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356487 1432836258 /nfs/dbraw/zinc/83/62/58/1432836258.db2.gz IYUYPQHEJHSAPP-VWMRQFFHSA-N 2 2 381.476 3.489 20 5 GGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356487 1432836260 /nfs/dbraw/zinc/83/62/60/1432836260.db2.gz IYUYPQHEJHSAPP-VWMRQFFHSA-N 2 2 381.476 3.489 20 5 GGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356493 1432836295 /nfs/dbraw/zinc/83/62/95/1432836295.db2.gz IYUYPQHEJHSAPP-LTSKSLEPSA-N 2 2 381.476 3.489 20 5 GGBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356493 1432836296 /nfs/dbraw/zinc/83/62/96/1432836296.db2.gz IYUYPQHEJHSAPP-LTSKSLEPSA-N 2 2 381.476 3.489 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245708004 1433503528 /nfs/dbraw/zinc/50/35/28/1433503528.db2.gz MWHXJCPOAJYSOE-HZPDHXFCSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245708004 1433503529 /nfs/dbraw/zinc/50/35/29/1433503529.db2.gz MWHXJCPOAJYSOE-HZPDHXFCSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245755998 1433512688 /nfs/dbraw/zinc/51/26/88/1433512688.db2.gz YLZZOMVEMZIXRI-DLBZAZTESA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245755998 1433512693 /nfs/dbraw/zinc/51/26/93/1433512693.db2.gz YLZZOMVEMZIXRI-DLBZAZTESA-N 2 2 394.541 3.066 20 5 GGBDLP C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000265434596 1434234065 /nfs/dbraw/zinc/23/40/65/1434234065.db2.gz NWXYADRZNYGYIE-ZDUSSCGKSA-N 2 2 382.892 3.239 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298737 1434420504 /nfs/dbraw/zinc/42/05/04/1434420504.db2.gz UCRSLNACCKOYGY-HRAATJIYSA-N 2 2 397.475 3.462 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298737 1434420506 /nfs/dbraw/zinc/42/05/06/1434420506.db2.gz UCRSLNACCKOYGY-HRAATJIYSA-N 2 2 397.475 3.462 20 5 GGBDLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000268834251 1434562434 /nfs/dbraw/zinc/56/24/34/1434562434.db2.gz RVUAYNAFVVLLEG-QGZVFWFLSA-N 2 2 396.491 3.142 20 5 GGBDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000270946993 1434790102 /nfs/dbraw/zinc/79/01/02/1434790102.db2.gz SEPIQEPPDZSLKT-UHFFFAOYSA-N 2 2 380.920 3.239 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801314 1435093737 /nfs/dbraw/zinc/09/37/37/1435093737.db2.gz FKGQPWFRXKJNMU-LAUBAEHRSA-N 2 2 396.491 3.058 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801314 1435093738 /nfs/dbraw/zinc/09/37/38/1435093738.db2.gz FKGQPWFRXKJNMU-LAUBAEHRSA-N 2 2 396.491 3.058 20 5 GGBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000278651068 1435410520 /nfs/dbraw/zinc/41/05/20/1435410520.db2.gz PUBBKYSESBTHAE-UHFFFAOYSA-N 2 2 384.436 3.170 20 5 GGBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC[NH+](CCc4ccc(F)cc4)CC3)nc2c1 ZINC000278748083 1435419676 /nfs/dbraw/zinc/41/96/76/1435419676.db2.gz RUPXOXZFGJVGID-UHFFFAOYSA-N 2 2 397.454 3.407 20 5 GGBDLP O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)nc2c1 ZINC000278772220 1435422056 /nfs/dbraw/zinc/42/20/56/1435422056.db2.gz USKXIZLPABCKKN-UHFFFAOYSA-N 2 2 379.464 3.268 20 5 GGBDLP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802544 1435425037 /nfs/dbraw/zinc/42/50/37/1435425037.db2.gz GAVHQYYUJFULLE-HNNXBMFYSA-N 2 2 397.479 3.334 20 5 GGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)o2)c(Br)c1 ZINC000414851710 565964275 /nfs/dbraw/zinc/96/42/75/565964275.db2.gz UQWBIXYCUWELHU-NSHDSACASA-N 2 2 380.242 3.459 20 5 GGBDLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014667 1408065102 /nfs/dbraw/zinc/06/51/02/1408065102.db2.gz TZHHFCOLVRDYAG-UHFFFAOYSA-N 2 2 382.420 3.169 20 5 GGBDLP CC[NH+](CC)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000067275315 1409061677 /nfs/dbraw/zinc/06/16/77/1409061677.db2.gz YDEMZSAICQZRIN-GOSISDBHSA-N 2 2 397.435 3.186 20 5 GGBDLP C[N@H+](CCN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000093104894 1410222192 /nfs/dbraw/zinc/22/21/92/1410222192.db2.gz NJEJZYVNPPAXDN-YRNVUSSQSA-N 2 2 394.519 3.358 20 5 GGBDLP C[N@@H+](CCN1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000093104894 1410222202 /nfs/dbraw/zinc/22/22/02/1410222202.db2.gz NJEJZYVNPPAXDN-YRNVUSSQSA-N 2 2 394.519 3.358 20 5 GGBDLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000093844170 1410274675 /nfs/dbraw/zinc/27/46/75/1410274675.db2.gz DPFBZGJHAHYIMG-HOTGVXAUSA-N 2 2 377.485 3.012 20 5 GGBDLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000093844169 1410274753 /nfs/dbraw/zinc/27/47/53/1410274753.db2.gz DPFBZGJHAHYIMG-IYBDPMFKSA-N 2 2 377.485 3.012 20 5 GGBDLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000093844169 1410274762 /nfs/dbraw/zinc/27/47/62/1410274762.db2.gz DPFBZGJHAHYIMG-IYBDPMFKSA-N 2 2 377.485 3.012 20 5 GGBDLP CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000109343660 1411745079 /nfs/dbraw/zinc/74/50/79/1411745079.db2.gz ORVYUVARZLPXBU-UHFFFAOYSA-N 2 2 393.447 3.162 20 5 GGBDLP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000109343660 1411745085 /nfs/dbraw/zinc/74/50/85/1411745085.db2.gz ORVYUVARZLPXBU-UHFFFAOYSA-N 2 2 393.447 3.162 20 5 GGBDLP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177229400 1428642376 /nfs/dbraw/zinc/64/23/76/1428642376.db2.gz XMWDTENHDJCNCB-UHFFFAOYSA-N 2 2 397.479 3.307 20 5 GGBDLP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261319 1428659164 /nfs/dbraw/zinc/65/91/64/1428659164.db2.gz DLUFIJDWFRTWSN-UHFFFAOYSA-N 2 2 384.480 3.008 20 5 GGBDLP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261319 1428659166 /nfs/dbraw/zinc/65/91/66/1428659166.db2.gz DLUFIJDWFRTWSN-UHFFFAOYSA-N 2 2 384.480 3.008 20 5 GGBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868177 1413254814 /nfs/dbraw/zinc/25/48/14/1413254814.db2.gz ZAIFHVWHFKOVKV-ZDUSSCGKSA-N 2 2 382.892 3.239 20 5 GGBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000119521869 1413474063 /nfs/dbraw/zinc/47/40/63/1413474063.db2.gz AGLQECKWTQCTAJ-UHFFFAOYSA-N 2 2 384.480 3.068 20 5 GGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225668 1416526140 /nfs/dbraw/zinc/52/61/40/1416526140.db2.gz QKWNDUXQJQEVPX-HNNXBMFYSA-N 2 2 381.436 3.438 20 5 GGBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225668 1416526147 /nfs/dbraw/zinc/52/61/47/1416526147.db2.gz QKWNDUXQJQEVPX-HNNXBMFYSA-N 2 2 381.436 3.438 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178877051 1429207611 /nfs/dbraw/zinc/20/76/11/1429207611.db2.gz YLZZOMVEMZIXRI-IRXDYDNUSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178877051 1429207621 /nfs/dbraw/zinc/20/76/21/1429207621.db2.gz YLZZOMVEMZIXRI-IRXDYDNUSA-N 2 2 394.541 3.066 20 5 GGBDLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000149624784 1417778407 /nfs/dbraw/zinc/77/84/07/1417778407.db2.gz LGDHVRGUPFJGMJ-IAGOWNOFSA-N 2 2 399.495 3.268 20 5 GGBDLP CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154385529 1422881984 /nfs/dbraw/zinc/88/19/84/1422881984.db2.gz KIRZGSZTESJMGE-FQEVSTJZSA-N 2 2 384.480 3.262 20 5 GGBDLP CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154385529 1422881985 /nfs/dbraw/zinc/88/19/85/1422881985.db2.gz KIRZGSZTESJMGE-FQEVSTJZSA-N 2 2 384.480 3.262 20 5 GGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155169050 1423208059 /nfs/dbraw/zinc/20/80/59/1423208059.db2.gz APOGINGEFWSVAB-SFHVURJKSA-N 2 2 399.491 3.465 20 5 GGBDLP Cc1c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000155169268 1423208363 /nfs/dbraw/zinc/20/83/63/1423208363.db2.gz PMYYIIYCEVRZQW-SFHVURJKSA-N 2 2 399.491 3.465 20 5 GGBDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155179212 1423215899 /nfs/dbraw/zinc/21/58/99/1423215899.db2.gz OTRTXWVBFYNPAX-QGZVFWFLSA-N 2 2 385.464 3.157 20 5 GGBDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000162039362 1424810935 /nfs/dbraw/zinc/81/09/35/1424810935.db2.gz IUMKLBSQKKZBDH-QGZVFWFLSA-N 2 2 385.464 3.157 20 5 GGBDLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516267 1426689140 /nfs/dbraw/zinc/68/91/40/1426689140.db2.gz HKTLQWVZTNPFHH-GOSISDBHSA-N 2 2 379.464 3.356 20 5 GGBDLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516267 1426689145 /nfs/dbraw/zinc/68/91/45/1426689145.db2.gz HKTLQWVZTNPFHH-GOSISDBHSA-N 2 2 379.464 3.356 20 5 GGBDLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516267 1426689151 /nfs/dbraw/zinc/68/91/51/1426689151.db2.gz HKTLQWVZTNPFHH-GOSISDBHSA-N 2 2 379.464 3.356 20 5 GGBDLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516267 1426689156 /nfs/dbraw/zinc/68/91/56/1426689156.db2.gz HKTLQWVZTNPFHH-GOSISDBHSA-N 2 2 379.464 3.356 20 5 GGBDLP COc1cc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195886 1430854522 /nfs/dbraw/zinc/85/45/22/1430854522.db2.gz UNZPRUQFZAHBFD-GASCZTMLSA-N 2 2 395.475 3.064 20 5 GGBDLP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195886 1430854524 /nfs/dbraw/zinc/85/45/24/1430854524.db2.gz UNZPRUQFZAHBFD-GASCZTMLSA-N 2 2 395.475 3.064 20 5 GGBDLP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752068 1431224430 /nfs/dbraw/zinc/22/44/30/1431224430.db2.gz ZZEQVQWVQMVEND-UONOGXRCSA-N 2 2 394.903 3.429 20 5 GGBDLP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752068 1431224437 /nfs/dbraw/zinc/22/44/37/1431224437.db2.gz ZZEQVQWVQMVEND-UONOGXRCSA-N 2 2 394.903 3.429 20 5 GGBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187264276 1431673064 /nfs/dbraw/zinc/67/30/64/1431673064.db2.gz CVBHPGQVMFADHV-FOIQADDNSA-N 2 2 393.447 3.202 20 5 GGBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313534 1432358583 /nfs/dbraw/zinc/35/85/83/1432358583.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 2 2 381.476 3.177 20 5 GGBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313534 1432358587 /nfs/dbraw/zinc/35/85/87/1432358587.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 2 2 381.476 3.177 20 5 GGBDLP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313534 1432358592 /nfs/dbraw/zinc/35/85/92/1432358592.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 2 2 381.476 3.177 20 5 GGBDLP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313534 1432358596 /nfs/dbraw/zinc/35/85/96/1432358596.db2.gz QDHKBKNNBUWCAB-NDEHPHGNSA-N 2 2 381.476 3.177 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191492100 1432671682 /nfs/dbraw/zinc/67/16/82/1432671682.db2.gz PUUWADLQRZMEKG-UHFFFAOYSA-N 2 2 384.440 3.316 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000191492100 1432671685 /nfs/dbraw/zinc/67/16/85/1432671685.db2.gz PUUWADLQRZMEKG-UHFFFAOYSA-N 2 2 384.440 3.316 20 5 GGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107480 1432799578 /nfs/dbraw/zinc/79/95/78/1432799578.db2.gz QRGBICVTUNTYPJ-QGZVFWFLSA-N 2 2 378.436 3.170 20 5 GGBDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107480 1432799587 /nfs/dbraw/zinc/79/95/87/1432799587.db2.gz QRGBICVTUNTYPJ-QGZVFWFLSA-N 2 2 378.436 3.170 20 5 GGBDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237202560 1433392282 /nfs/dbraw/zinc/39/22/82/1433392282.db2.gz WRUJAIPYPLSHJI-LJQANCHMSA-N 2 2 385.464 3.366 20 5 GGBDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237202560 1433392285 /nfs/dbraw/zinc/39/22/85/1433392285.db2.gz WRUJAIPYPLSHJI-LJQANCHMSA-N 2 2 385.464 3.366 20 5 GGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)o2)c(Cl)c1 ZINC000238151160 1433444241 /nfs/dbraw/zinc/44/42/41/1433444241.db2.gz JIRNEBLZKMDZSM-UHFFFAOYSA-N 2 2 393.871 3.445 20 5 GGBDLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692485 1433500660 /nfs/dbraw/zinc/50/06/60/1433500660.db2.gz AUXAHWMFURVTPJ-LAUBAEHRSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692485 1433500663 /nfs/dbraw/zinc/50/06/63/1433500663.db2.gz AUXAHWMFURVTPJ-LAUBAEHRSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692485 1433500666 /nfs/dbraw/zinc/50/06/66/1433500666.db2.gz AUXAHWMFURVTPJ-LAUBAEHRSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692485 1433500669 /nfs/dbraw/zinc/50/06/69/1433500669.db2.gz AUXAHWMFURVTPJ-LAUBAEHRSA-N 2 2 395.507 3.444 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248385728 1433791932 /nfs/dbraw/zinc/79/19/32/1433791932.db2.gz JSXXWYIAXQPPOR-WOJBJXKFSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248385728 1433791939 /nfs/dbraw/zinc/79/19/39/1433791939.db2.gz JSXXWYIAXQPPOR-WOJBJXKFSA-N 2 2 388.512 3.004 20 5 GGBDLP [NH3+][C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1c1ccccc1 ZINC000261725131 1433900119 /nfs/dbraw/zinc/90/01/19/1433900119.db2.gz FIOYECILCDMRER-RBUKOAKNSA-N 2 2 378.432 3.219 20 5 GGBDLP [NH3+][C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1c1ccccc1 ZINC000261725131 1433900120 /nfs/dbraw/zinc/90/01/20/1433900120.db2.gz FIOYECILCDMRER-RBUKOAKNSA-N 2 2 378.432 3.219 20 5 GGBDLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000268829417 1434562265 /nfs/dbraw/zinc/56/22/65/1434562265.db2.gz QGZWQNGVPYWUFJ-KRWDZBQOSA-N 2 2 396.491 3.142 20 5 GGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278832000 1435428571 /nfs/dbraw/zinc/42/85/71/1435428571.db2.gz IMLYHEUFFUUBMH-UHFFFAOYSA-N 2 2 397.479 3.254 20 5 GGBDLP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278897663 1435437213 /nfs/dbraw/zinc/43/72/13/1435437213.db2.gz OWQHOCGTEGBCSA-OAHLLOKOSA-N 2 2 397.479 3.334 20 5 GGBDLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414889324 565964330 /nfs/dbraw/zinc/96/43/30/565964330.db2.gz LKPNVFOZDTWVOW-HNNXBMFYSA-N 2 2 380.242 3.444 20 5 GGBDLP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806534 1404210529 /nfs/dbraw/zinc/21/05/29/1404210529.db2.gz RXNIUPQOSVDLOL-UHFFFAOYSA-N 2 2 388.512 3.430 20 5 GGBDLP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000057343354 1407592634 /nfs/dbraw/zinc/59/26/34/1407592634.db2.gz GKRMSVHVPXSPPH-UHFFFAOYSA-N 2 2 387.484 3.221 20 5 GGBDLP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000061555623 1408146016 /nfs/dbraw/zinc/14/60/16/1408146016.db2.gz DCMOIQHQNRKVMX-UHFFFAOYSA-N 2 2 388.431 3.434 20 5 GGBDLP CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccco1 ZINC000067275314 1409061260 /nfs/dbraw/zinc/06/12/60/1409061260.db2.gz YDEMZSAICQZRIN-SFHVURJKSA-N 2 2 397.435 3.186 20 5 GGBDLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000093844171 1410275464 /nfs/dbraw/zinc/27/54/64/1410275464.db2.gz DPFBZGJHAHYIMG-HZPDHXFCSA-N 2 2 377.485 3.012 20 5 GGBDLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000114475703 1412441422 /nfs/dbraw/zinc/44/14/22/1412441422.db2.gz UAPYAPOXHCJLMC-UHFFFAOYSA-N 2 2 376.501 3.286 20 5 GGBDLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000114475703 1412441426 /nfs/dbraw/zinc/44/14/26/1412441426.db2.gz UAPYAPOXHCJLMC-UHFFFAOYSA-N 2 2 376.501 3.286 20 5 GGBDLP O=C(O[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000117093088 1412998250 /nfs/dbraw/zinc/99/82/50/1412998250.db2.gz FEBIPOCTFFSFFH-GOSISDBHSA-N 2 2 392.415 3.212 20 5 GGBDLP O=C(O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000117093088 1412998256 /nfs/dbraw/zinc/99/82/56/1412998256.db2.gz FEBIPOCTFFSFFH-GOSISDBHSA-N 2 2 392.415 3.212 20 5 GGBDLP O=C(O[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000117100422 1413000061 /nfs/dbraw/zinc/00/00/61/1413000061.db2.gz FEBIPOCTFFSFFH-SFHVURJKSA-N 2 2 392.415 3.212 20 5 GGBDLP O=C(O[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000117100422 1413000065 /nfs/dbraw/zinc/00/00/65/1413000065.db2.gz FEBIPOCTFFSFFH-SFHVURJKSA-N 2 2 392.415 3.212 20 5 GGBDLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000123646485 1414803078 /nfs/dbraw/zinc/80/30/78/1414803078.db2.gz JLOJNJBBQMMLPC-UHFFFAOYSA-N 2 2 382.892 3.241 20 5 GGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225911 1416526064 /nfs/dbraw/zinc/52/60/64/1416526064.db2.gz QKWNDUXQJQEVPX-OAHLLOKOSA-N 2 2 381.436 3.438 20 5 GGBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000131225911 1416526067 /nfs/dbraw/zinc/52/60/67/1416526067.db2.gz QKWNDUXQJQEVPX-OAHLLOKOSA-N 2 2 381.436 3.438 20 5 GGBDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000155504196 1423390325 /nfs/dbraw/zinc/39/03/25/1423390325.db2.gz OENIQAGAWKIPAI-UHFFFAOYSA-N 2 2 393.871 3.397 20 5 GGBDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 ZINC000155504196 1423390338 /nfs/dbraw/zinc/39/03/38/1423390338.db2.gz OENIQAGAWKIPAI-UHFFFAOYSA-N 2 2 393.871 3.397 20 5 GGBDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000162024039 1424809632 /nfs/dbraw/zinc/80/96/32/1424809632.db2.gz HLERCXFXEPELLN-GOSISDBHSA-N 2 2 399.491 3.465 20 5 GGBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000171881145 1425841664 /nfs/dbraw/zinc/84/16/64/1425841664.db2.gz PFEHRCQBINUXGC-MRXNPFEDSA-N 2 2 393.447 3.031 20 5 GGBDLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000171881145 1425841666 /nfs/dbraw/zinc/84/16/66/1425841666.db2.gz PFEHRCQBINUXGC-MRXNPFEDSA-N 2 2 393.447 3.031 20 5 GGBDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173353625 1426529843 /nfs/dbraw/zinc/52/98/43/1426529843.db2.gz VYHKEIUXGFWRPJ-KRWDZBQOSA-N 2 2 385.464 3.157 20 5 GGBDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173359106 1426533689 /nfs/dbraw/zinc/53/36/89/1426533689.db2.gz KCEHHTKEVDBSMD-QGZVFWFLSA-N 2 2 385.464 3.157 20 5 GGBDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173359091 1426533842 /nfs/dbraw/zinc/53/38/42/1426533842.db2.gz KCEHHTKEVDBSMD-KRWDZBQOSA-N 2 2 385.464 3.157 20 5 GGBDLP CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000175171901 1427580516 /nfs/dbraw/zinc/58/05/16/1427580516.db2.gz TWMGGBUWWMCEJZ-UHFFFAOYSA-N 2 2 399.495 3.268 20 5 GGBDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780344 1430035033 /nfs/dbraw/zinc/03/50/33/1430035033.db2.gz AUXAHWMFURVTPJ-UTKZUKDTSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780344 1430035039 /nfs/dbraw/zinc/03/50/39/1430035039.db2.gz AUXAHWMFURVTPJ-UTKZUKDTSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780344 1430035042 /nfs/dbraw/zinc/03/50/42/1430035042.db2.gz AUXAHWMFURVTPJ-UTKZUKDTSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000180780344 1430035045 /nfs/dbraw/zinc/03/50/45/1430035045.db2.gz AUXAHWMFURVTPJ-UTKZUKDTSA-N 2 2 395.507 3.444 20 5 GGBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647432 1430334684 /nfs/dbraw/zinc/33/46/84/1430334684.db2.gz RVKSAHNHUWFJPH-RDJZCZTQSA-N 2 2 397.479 3.163 20 5 GGBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647432 1430334687 /nfs/dbraw/zinc/33/46/87/1430334687.db2.gz RVKSAHNHUWFJPH-RDJZCZTQSA-N 2 2 397.479 3.163 20 5 GGBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182624724 1430504614 /nfs/dbraw/zinc/50/46/14/1430504614.db2.gz MLXGFGGYOLNKAL-UHFFFAOYSA-N 2 2 383.374 3.022 20 5 GGBDLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187264239 1431672249 /nfs/dbraw/zinc/67/22/49/1431672249.db2.gz CVBHPGQVMFADHV-QRWLVFNGSA-N 2 2 393.447 3.202 20 5 GGBDLP CC(C)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000189499013 1432136342 /nfs/dbraw/zinc/13/63/42/1432136342.db2.gz FBPHIJSXKSIZBR-UHFFFAOYSA-N 2 2 388.512 3.007 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191497776 1432672984 /nfs/dbraw/zinc/67/29/84/1432672984.db2.gz AUJLUQLFMXQEMF-UHFFFAOYSA-N 2 2 393.875 3.358 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191497776 1432672987 /nfs/dbraw/zinc/67/29/87/1432672987.db2.gz AUJLUQLFMXQEMF-UHFFFAOYSA-N 2 2 393.875 3.358 20 5 GGBDLP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918048 1432907515 /nfs/dbraw/zinc/90/75/15/1432907515.db2.gz WMURWTFGSYXMNA-QGZVFWFLSA-N 2 2 385.464 3.224 20 5 GGBDLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918048 1432907519 /nfs/dbraw/zinc/90/75/19/1432907519.db2.gz WMURWTFGSYXMNA-QGZVFWFLSA-N 2 2 385.464 3.224 20 5 GGBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237242860 1433393859 /nfs/dbraw/zinc/39/38/59/1433393859.db2.gz DYBWWTXCBIOSFW-IBGZPJMESA-N 2 2 385.464 3.366 20 5 GGBDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237242860 1433393860 /nfs/dbraw/zinc/39/38/60/1433393860.db2.gz DYBWWTXCBIOSFW-IBGZPJMESA-N 2 2 385.464 3.366 20 5 GGBDLP O=[N+]([O-])c1ccccc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237934161 1433435682 /nfs/dbraw/zinc/43/56/82/1433435682.db2.gz CTKKFLWRGPXZIO-UHFFFAOYSA-N 2 2 382.508 3.282 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245708009 1433503520 /nfs/dbraw/zinc/50/35/20/1433503520.db2.gz MWHXJCPOAJYSOE-JKSUJKDBSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245708009 1433503521 /nfs/dbraw/zinc/50/35/21/1433503521.db2.gz MWHXJCPOAJYSOE-JKSUJKDBSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245756004 1433512559 /nfs/dbraw/zinc/51/25/59/1433512559.db2.gz YLZZOMVEMZIXRI-IAGOWNOFSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245756004 1433512563 /nfs/dbraw/zinc/51/25/63/1433512563.db2.gz YLZZOMVEMZIXRI-IAGOWNOFSA-N 2 2 394.541 3.066 20 5 GGBDLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278975178 1435447652 /nfs/dbraw/zinc/44/76/52/1435447652.db2.gz CMXFZGTXXHJBHC-FQEVSTJZSA-N 2 2 395.507 3.254 20 5 GGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004981 565264143 /nfs/dbraw/zinc/26/41/43/565264143.db2.gz XIXGAXOJHVJTCM-ZDUSSCGKSA-N 2 2 379.258 3.470 20 5 GGBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000373004981 565264145 /nfs/dbraw/zinc/26/41/45/565264145.db2.gz XIXGAXOJHVJTCM-ZDUSSCGKSA-N 2 2 379.258 3.470 20 5 GGBDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750848 566138934 /nfs/dbraw/zinc/13/89/34/566138934.db2.gz IVQNECZHLPDJLR-OAHLLOKOSA-N 2 2 387.311 3.113 20 5 GGBDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750848 566138939 /nfs/dbraw/zinc/13/89/39/566138939.db2.gz IVQNECZHLPDJLR-OAHLLOKOSA-N 2 2 387.311 3.113 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1[NH3+] ZINC000261988051 566142908 /nfs/dbraw/zinc/14/29/08/566142908.db2.gz JYAQGNSCZYVGPK-BMIGLBTASA-N 2 2 380.242 3.396 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1[NH3+] ZINC000261988051 566142911 /nfs/dbraw/zinc/14/29/11/566142911.db2.gz JYAQGNSCZYVGPK-BMIGLBTASA-N 2 2 380.242 3.396 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1[NH3+] ZINC000261988053 566142979 /nfs/dbraw/zinc/14/29/79/566142979.db2.gz JYAQGNSCZYVGPK-MEBBXXQBSA-N 2 2 380.242 3.396 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1[NH3+] ZINC000261988053 566142985 /nfs/dbraw/zinc/14/29/85/566142985.db2.gz JYAQGNSCZYVGPK-MEBBXXQBSA-N 2 2 380.242 3.396 20 5 GGBDLP COc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061014665 1408064380 /nfs/dbraw/zinc/06/43/80/1408064380.db2.gz RTBJHBPOHPMVPM-UHFFFAOYSA-N 2 2 382.420 3.169 20 5 GGBDLP C[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000069500479 1409644261 /nfs/dbraw/zinc/64/42/61/1409644261.db2.gz ISZWFHPIGZSRHE-UHFFFAOYSA-N 2 2 385.468 3.165 20 5 GGBDLP C[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000069500479 1409644263 /nfs/dbraw/zinc/64/42/63/1409644263.db2.gz ISZWFHPIGZSRHE-UHFFFAOYSA-N 2 2 385.468 3.165 20 5 GGBDLP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000109122921 1411688194 /nfs/dbraw/zinc/68/81/94/1411688194.db2.gz TZQRCTLGRUHQNN-MRXNPFEDSA-N 2 2 385.468 3.022 20 5 GGBDLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000109122921 1411688201 /nfs/dbraw/zinc/68/82/01/1411688201.db2.gz TZQRCTLGRUHQNN-MRXNPFEDSA-N 2 2 385.468 3.022 20 5 GGBDLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109122487 1411688638 /nfs/dbraw/zinc/68/86/38/1411688638.db2.gz AGZWPIYWXQASKM-MRXNPFEDSA-N 2 2 385.468 3.165 20 5 GGBDLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000109122487 1411688667 /nfs/dbraw/zinc/68/86/67/1411688667.db2.gz AGZWPIYWXQASKM-MRXNPFEDSA-N 2 2 385.468 3.165 20 5 GGBDLP C[N@H+](CCCO)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000115549225 1412705657 /nfs/dbraw/zinc/70/56/57/1412705657.db2.gz CWCRGAJWAGPOFX-UHFFFAOYSA-N 2 2 380.488 3.225 20 5 GGBDLP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000115549225 1412705665 /nfs/dbraw/zinc/70/56/65/1412705665.db2.gz CWCRGAJWAGPOFX-UHFFFAOYSA-N 2 2 380.488 3.225 20 5 GGBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)o2)c1 ZINC000119527820 1413476099 /nfs/dbraw/zinc/47/60/99/1413476099.db2.gz VUBIVVPWFWWGGL-UHFFFAOYSA-N 2 2 384.480 3.068 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124786783 1415043710 /nfs/dbraw/zinc/04/37/10/1415043710.db2.gz PRUPNLMUFLJKIT-PMACEKPBSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124786783 1415043716 /nfs/dbraw/zinc/04/37/16/1415043716.db2.gz PRUPNLMUFLJKIT-PMACEKPBSA-N 2 2 388.512 3.004 20 5 GGBDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000131423579 1416555633 /nfs/dbraw/zinc/55/56/33/1416555633.db2.gz GNHSVICYKCMVTL-LJQANCHMSA-N 2 2 393.871 3.443 20 5 GGBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000131423772 1416555782 /nfs/dbraw/zinc/55/57/82/1416555782.db2.gz GNHSVICYKCMVTL-IBGZPJMESA-N 2 2 393.871 3.443 20 5 GGBDLP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655137 1427291406 /nfs/dbraw/zinc/29/14/06/1427291406.db2.gz ZHFQQFNHDZXHTA-UHFFFAOYSA-N 2 2 384.480 3.008 20 5 GGBDLP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655137 1427291417 /nfs/dbraw/zinc/29/14/17/1427291417.db2.gz ZHFQQFNHDZXHTA-UHFFFAOYSA-N 2 2 384.480 3.008 20 5 GGBDLP COc1cc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195903 1430854552 /nfs/dbraw/zinc/85/45/52/1430854552.db2.gz UNZPRUQFZAHBFD-GJZGRUSLSA-N 2 2 395.475 3.064 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245679423 1433498411 /nfs/dbraw/zinc/49/84/11/1433498411.db2.gz GULKJUNFBHMWDY-VQTJNVASSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245679423 1433498416 /nfs/dbraw/zinc/49/84/16/1433498416.db2.gz GULKJUNFBHMWDY-VQTJNVASSA-N 2 2 388.512 3.004 20 5 GGBDLP COc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c([N+](=O)[O-])cc1OC ZINC000263692473 1434021758 /nfs/dbraw/zinc/02/17/58/1434021758.db2.gz PHWWGQPSHCBXKB-UHFFFAOYSA-N 2 2 382.420 3.147 20 5 GGBDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000264955004 1434167684 /nfs/dbraw/zinc/16/76/84/1434167684.db2.gz YNZNJZRXAOWDMD-UHFFFAOYSA-N 2 2 390.531 3.486 20 5 GGBDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2ccccc2c2cccnc12 ZINC000264955004 1434167686 /nfs/dbraw/zinc/16/76/86/1434167686.db2.gz YNZNJZRXAOWDMD-UHFFFAOYSA-N 2 2 390.531 3.486 20 5 GGBDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000266146930 1434306911 /nfs/dbraw/zinc/30/69/11/1434306911.db2.gz MNXXQHMONFVZSD-LLVKDONJSA-N 2 2 388.390 3.015 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298740 1434420497 /nfs/dbraw/zinc/42/04/97/1434420497.db2.gz UCRSLNACCKOYGY-IIBYNOLFSA-N 2 2 397.475 3.462 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298740 1434420498 /nfs/dbraw/zinc/42/04/98/1434420498.db2.gz UCRSLNACCKOYGY-IIBYNOLFSA-N 2 2 397.475 3.462 20 5 GGBDLP Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000268834250 1434562625 /nfs/dbraw/zinc/56/26/25/1434562625.db2.gz RVUAYNAFVVLLEG-KRWDZBQOSA-N 2 2 396.491 3.142 20 5 GGBDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454662 1434897589 /nfs/dbraw/zinc/89/75/89/1434897589.db2.gz QBZGKJSEFDSLNF-ZDUSSCGKSA-N 2 2 387.427 3.069 20 5 GGBDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454662 1434897590 /nfs/dbraw/zinc/89/75/90/1434897590.db2.gz QBZGKJSEFDSLNF-ZDUSSCGKSA-N 2 2 387.427 3.069 20 5 GGBDLP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278945954 1435443474 /nfs/dbraw/zinc/44/34/74/1435443474.db2.gz VCVLESIIKCVYDR-OAHLLOKOSA-N 2 2 397.479 3.334 20 5 GGBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000301145697 565467340 /nfs/dbraw/zinc/46/73/40/565467340.db2.gz AQBPSJIEVRDDEI-UHFFFAOYSA-N 2 2 397.317 3.328 20 5 GGBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414812218 565962747 /nfs/dbraw/zinc/96/27/47/565962747.db2.gz XFVXZXYAHKUNKU-OAHLLOKOSA-N 2 2 380.242 3.444 20 5 GGBDLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632379 566481401 /nfs/dbraw/zinc/48/14/01/566481401.db2.gz IMAHWYKYPYVZCG-NSHDSACASA-N 2 2 392.319 3.009 20 5 GGBDLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632379 566481408 /nfs/dbraw/zinc/48/14/08/566481408.db2.gz IMAHWYKYPYVZCG-NSHDSACASA-N 2 2 392.319 3.009 20 5 GGBDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632376 566482027 /nfs/dbraw/zinc/48/20/27/566482027.db2.gz IMAHWYKYPYVZCG-LLVKDONJSA-N 2 2 392.319 3.009 20 5 GGBDLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCO1 ZINC000602632376 566482031 /nfs/dbraw/zinc/48/20/31/566482031.db2.gz IMAHWYKYPYVZCG-LLVKDONJSA-N 2 2 392.319 3.009 20 5 GGBDLP CC[NH+](CC)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568332958 567319533 /nfs/dbraw/zinc/31/95/33/567319533.db2.gz BIROFTANBKIYMV-UHFFFAOYSA-N 2 2 391.253 3.021 20 5 GGBDLP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000063804220 1408416279 /nfs/dbraw/zinc/41/62/79/1408416279.db2.gz PGRCWEDREMDFRO-IBGZPJMESA-N 2 2 385.468 3.021 20 5 GGBDLP C[NH+](C)CCN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000067869723 1409246549 /nfs/dbraw/zinc/24/65/49/1409246549.db2.gz OXHCBIQCGLTATL-UHFFFAOYSA-N 2 2 385.468 3.117 20 5 GGBDLP O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000070826881 1409785722 /nfs/dbraw/zinc/78/57/22/1409785722.db2.gz DNDICGVLAZTWJY-UHFFFAOYSA-N 2 2 397.479 3.119 20 5 GGBDLP Cn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000107044448 1411336134 /nfs/dbraw/zinc/33/61/34/1411336134.db2.gz ZWHSFSSDUCXFPY-UHFFFAOYSA-N 2 2 388.431 3.471 20 5 GGBDLP Cn1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119039581 1413313455 /nfs/dbraw/zinc/31/34/55/1413313455.db2.gz UNFPGMBEODYYPE-UHFFFAOYSA-N 2 2 380.452 3.372 20 5 GGBDLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000123361880 1414706785 /nfs/dbraw/zinc/70/67/85/1414706785.db2.gz QEUCFGQMBTYHTN-UHFFFAOYSA-N 2 2 382.892 3.241 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124617155 1415006655 /nfs/dbraw/zinc/00/66/55/1415006655.db2.gz GULKJUNFBHMWDY-PMACEKPBSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124617155 1415006659 /nfs/dbraw/zinc/00/66/59/1415006659.db2.gz GULKJUNFBHMWDY-PMACEKPBSA-N 2 2 388.512 3.004 20 5 GGBDLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000149624587 1417778376 /nfs/dbraw/zinc/77/83/76/1417778376.db2.gz LGDHVRGUPFJGMJ-IRXDYDNUSA-N 2 2 399.495 3.268 20 5 GGBDLP CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154385624 1422881923 /nfs/dbraw/zinc/88/19/23/1422881923.db2.gz KIRZGSZTESJMGE-HXUWFJFHSA-N 2 2 384.480 3.262 20 5 GGBDLP CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000154385624 1422881925 /nfs/dbraw/zinc/88/19/25/1422881925.db2.gz KIRZGSZTESJMGE-HXUWFJFHSA-N 2 2 384.480 3.262 20 5 GGBDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000155179104 1423216451 /nfs/dbraw/zinc/21/64/51/1423216451.db2.gz OTRTXWVBFYNPAX-KRWDZBQOSA-N 2 2 385.464 3.157 20 5 GGBDLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000162028903 1424809999 /nfs/dbraw/zinc/80/99/99/1424809999.db2.gz JRMIBAHJVBJKCX-GOSISDBHSA-N 2 2 399.491 3.465 20 5 GGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162028618 1424810010 /nfs/dbraw/zinc/81/00/10/1424810010.db2.gz LMBCUMYYBNSIGD-GOSISDBHSA-N 2 2 399.491 3.465 20 5 GGBDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000162039256 1424811078 /nfs/dbraw/zinc/81/10/78/1424811078.db2.gz IUMKLBSQKKZBDH-KRWDZBQOSA-N 2 2 385.464 3.157 20 5 GGBDLP O=C(NCCCCC[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000171889867 1425844432 /nfs/dbraw/zinc/84/44/32/1425844432.db2.gz POFDGJFYBRLSOC-UHFFFAOYSA-N 2 2 385.468 3.167 20 5 GGBDLP CC1CCC([NH+]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)CC2)CC1 ZINC000172156925 1425924569 /nfs/dbraw/zinc/92/45/69/1425924569.db2.gz POVIWIVCSYKEIN-UHFFFAOYSA-N 2 2 397.479 3.117 20 5 GGBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181647396 1430334600 /nfs/dbraw/zinc/33/46/00/1430334600.db2.gz RVKSAHNHUWFJPH-DOTOQJQBSA-N 2 2 397.479 3.163 20 5 GGBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181647396 1430334605 /nfs/dbraw/zinc/33/46/05/1430334605.db2.gz RVKSAHNHUWFJPH-DOTOQJQBSA-N 2 2 397.479 3.163 20 5 GGBDLP Cn1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094066 1430410494 /nfs/dbraw/zinc/41/04/94/1430410494.db2.gz QIIVYQGBNKXIRA-MRXNPFEDSA-N 2 2 394.479 3.184 20 5 GGBDLP Cn1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182094066 1430410497 /nfs/dbraw/zinc/41/04/97/1430410497.db2.gz QIIVYQGBNKXIRA-MRXNPFEDSA-N 2 2 394.479 3.184 20 5 GGBDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184754470 1430967396 /nfs/dbraw/zinc/96/73/96/1430967396.db2.gz VRPSZVCOFXIJFU-IAGOWNOFSA-N 2 2 396.491 3.280 20 5 GGBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+](C)C ZINC000187264260 1431672112 /nfs/dbraw/zinc/67/21/12/1431672112.db2.gz CVBHPGQVMFADHV-MGPUTAFESA-N 2 2 393.447 3.202 20 5 GGBDLP COc1cc(C[NH2+]CCn2cc[nH+]c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000237208718 1433392814 /nfs/dbraw/zinc/39/28/14/1433392814.db2.gz NJLXOTZHPXAINH-UHFFFAOYSA-N 2 2 382.420 3.169 20 5 GGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1Oc1ccc(F)cc1 ZINC000237962672 1433437437 /nfs/dbraw/zinc/43/74/37/1433437437.db2.gz LPKJLVFGIMKVDS-QGZVFWFLSA-N 2 2 389.427 3.073 20 5 GGBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1Oc1ccc(F)cc1 ZINC000238063565 1433441517 /nfs/dbraw/zinc/44/15/17/1433441517.db2.gz LPKJLVFGIMKVDS-KRWDZBQOSA-N 2 2 389.427 3.073 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245720909 1433505738 /nfs/dbraw/zinc/50/57/38/1433505738.db2.gz PRUPNLMUFLJKIT-WOJBJXKFSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245720909 1433505740 /nfs/dbraw/zinc/50/57/40/1433505740.db2.gz PRUPNLMUFLJKIT-WOJBJXKFSA-N 2 2 388.512 3.004 20 5 GGBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898640 1433537204 /nfs/dbraw/zinc/53/72/04/1433537204.db2.gz DHVRTEAAFKPXOL-UKRRQHHQSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898640 1433537210 /nfs/dbraw/zinc/53/72/10/1433537210.db2.gz DHVRTEAAFKPXOL-UKRRQHHQSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898640 1433537213 /nfs/dbraw/zinc/53/72/13/1433537213.db2.gz DHVRTEAAFKPXOL-UKRRQHHQSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898640 1433537217 /nfs/dbraw/zinc/53/72/17/1433537217.db2.gz DHVRTEAAFKPXOL-UKRRQHHQSA-N 2 2 399.438 3.163 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248402578 1433798625 /nfs/dbraw/zinc/79/86/25/1433798625.db2.gz VRPSZVCOFXIJFU-YPGOJHLTSA-N 2 2 396.491 3.280 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000248402578 1433798630 /nfs/dbraw/zinc/79/86/30/1433798630.db2.gz VRPSZVCOFXIJFU-YPGOJHLTSA-N 2 2 396.491 3.280 20 5 GGBDLP C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000265434595 1434234124 /nfs/dbraw/zinc/23/41/24/1434234124.db2.gz NWXYADRZNYGYIE-CYBMUJFWSA-N 2 2 382.892 3.239 20 5 GGBDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000266146932 1434306756 /nfs/dbraw/zinc/30/67/56/1434306756.db2.gz MNXXQHMONFVZSD-NSHDSACASA-N 2 2 388.390 3.015 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298742 1434420585 /nfs/dbraw/zinc/42/05/85/1434420585.db2.gz UCRSLNACCKOYGY-KKSFZXQISA-N 2 2 397.475 3.462 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298742 1434420587 /nfs/dbraw/zinc/42/05/87/1434420587.db2.gz UCRSLNACCKOYGY-KKSFZXQISA-N 2 2 397.475 3.462 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003557 1434580529 /nfs/dbraw/zinc/58/05/29/1434580529.db2.gz VKDYCZLCNTZMQR-SJLPKXTDSA-N 2 2 382.464 3.034 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003557 1434580530 /nfs/dbraw/zinc/58/05/30/1434580530.db2.gz VKDYCZLCNTZMQR-SJLPKXTDSA-N 2 2 382.464 3.034 20 5 GGBDLP Cn1ccnc1[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000272484989 1434899649 /nfs/dbraw/zinc/89/96/49/1434899649.db2.gz CUUXFMWOHZDTQL-IBGZPJMESA-N 2 2 380.452 3.295 20 5 GGBDLP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273166366 1434968315 /nfs/dbraw/zinc/96/83/15/1434968315.db2.gz CHTMHQKYXFARNR-UHFFFAOYSA-N 2 2 378.448 3.013 20 5 GGBDLP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802547 1435424986 /nfs/dbraw/zinc/42/49/86/1435424986.db2.gz GAVHQYYUJFULLE-OAHLLOKOSA-N 2 2 397.479 3.334 20 5 GGBDLP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278897661 1435437081 /nfs/dbraw/zinc/43/70/81/1435437081.db2.gz OWQHOCGTEGBCSA-HNNXBMFYSA-N 2 2 397.479 3.334 20 5 GGBDLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278975180 1435447512 /nfs/dbraw/zinc/44/75/12/1435447512.db2.gz CMXFZGTXXHJBHC-HXUWFJFHSA-N 2 2 395.507 3.254 20 5 GGBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000279441904 1435500027 /nfs/dbraw/zinc/50/00/27/1435500027.db2.gz PJKQFDRUDPFEQF-UHFFFAOYSA-N 2 2 385.424 3.415 20 5 GGBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000095405692 208179976 /nfs/dbraw/zinc/17/99/76/208179976.db2.gz ZAELKFACWPDODM-LLVKDONJSA-N 2 2 382.367 3.308 20 5 GGBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000095405692 208179982 /nfs/dbraw/zinc/17/99/82/208179982.db2.gz ZAELKFACWPDODM-LLVKDONJSA-N 2 2 382.367 3.308 20 5 GGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)o2)c(Br)c1 ZINC000414851709 565963736 /nfs/dbraw/zinc/96/37/36/565963736.db2.gz UQWBIXYCUWELHU-LLVKDONJSA-N 2 2 380.242 3.459 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1[NH3+] ZINC000261988055 566142671 /nfs/dbraw/zinc/14/26/71/566142671.db2.gz JYAQGNSCZYVGPK-ZUZCIYMTSA-N 2 2 380.242 3.396 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1[NH3+] ZINC000261988055 566142677 /nfs/dbraw/zinc/14/26/77/566142677.db2.gz JYAQGNSCZYVGPK-ZUZCIYMTSA-N 2 2 380.242 3.396 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1[NH3+] ZINC000261988052 566143391 /nfs/dbraw/zinc/14/33/91/566143391.db2.gz JYAQGNSCZYVGPK-BONVTDFDSA-N 2 2 380.242 3.396 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@@H]1[NH3+] ZINC000261988052 566143394 /nfs/dbraw/zinc/14/33/94/566143394.db2.gz JYAQGNSCZYVGPK-BONVTDFDSA-N 2 2 380.242 3.396 20 5 GGBDLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290984636 566199892 /nfs/dbraw/zinc/19/98/92/566199892.db2.gz YYOBPIXCQWHCNA-UHFFFAOYSA-N 2 2 376.284 3.492 20 5 GGBDLP COCCC[NH+]1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602526224 566476583 /nfs/dbraw/zinc/47/65/83/566476583.db2.gz FEKRZOOLPXZTLL-UHFFFAOYSA-N 2 2 392.319 3.009 20 5 GGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)o2)c(Br)c1 ZINC000435381807 567359832 /nfs/dbraw/zinc/35/98/32/567359832.db2.gz VTXWSMXCQXUCRV-UHFFFAOYSA-N 2 2 380.242 3.413 20 5 GGBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)o2)c(Br)c1 ZINC000435381807 567359837 /nfs/dbraw/zinc/35/98/37/567359837.db2.gz VTXWSMXCQXUCRV-UHFFFAOYSA-N 2 2 380.242 3.413 20 5 GGBDLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000054287628 1406681612 /nfs/dbraw/zinc/68/16/12/1406681612.db2.gz UTESHZKBDFREEH-OAHLLOKOSA-N 2 2 385.468 3.021 20 5 GGBDLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000054287628 1406681618 /nfs/dbraw/zinc/68/16/18/1406681618.db2.gz UTESHZKBDFREEH-OAHLLOKOSA-N 2 2 385.468 3.021 20 5 GGBDLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000054287629 1406682066 /nfs/dbraw/zinc/68/20/66/1406682066.db2.gz UTESHZKBDFREEH-HNNXBMFYSA-N 2 2 385.468 3.021 20 5 GGBDLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000054287629 1406682073 /nfs/dbraw/zinc/68/20/73/1406682073.db2.gz UTESHZKBDFREEH-HNNXBMFYSA-N 2 2 385.468 3.021 20 5 GGBDLP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806525 1404210236 /nfs/dbraw/zinc/21/02/36/1404210236.db2.gz SUKRJABPXBKDET-UHFFFAOYSA-N 2 2 388.512 3.430 20 5 GGBDLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057843765 1407736172 /nfs/dbraw/zinc/73/61/72/1407736172.db2.gz OFRFECLCPNDRHN-UHFFFAOYSA-N 2 2 396.491 3.377 20 5 GGBDLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000057843765 1407736177 /nfs/dbraw/zinc/73/61/77/1407736177.db2.gz OFRFECLCPNDRHN-UHFFFAOYSA-N 2 2 396.491 3.377 20 5 GGBDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000130547392 1416397057 /nfs/dbraw/zinc/39/70/57/1416397057.db2.gz RIIONGYDHVHXOS-UHFFFAOYSA-N 2 2 384.383 3.232 20 5 GGBDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000130547392 1416397060 /nfs/dbraw/zinc/39/70/60/1416397060.db2.gz RIIONGYDHVHXOS-UHFFFAOYSA-N 2 2 384.383 3.232 20 5 GGBDLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000131481575 1416564472 /nfs/dbraw/zinc/56/44/72/1416564472.db2.gz KCTFOUSMKHGTEF-IBGZPJMESA-N 2 2 393.871 3.443 20 5 GGBDLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179717843 1429520541 /nfs/dbraw/zinc/52/05/41/1429520541.db2.gz PPOCFKMYWYHJLI-MRXNPFEDSA-N 2 2 393.447 3.031 20 5 GGBDLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000179717843 1429520545 /nfs/dbraw/zinc/52/05/45/1429520545.db2.gz PPOCFKMYWYHJLI-MRXNPFEDSA-N 2 2 393.447 3.031 20 5 GGBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000162028752 1424810105 /nfs/dbraw/zinc/81/01/05/1424810105.db2.gz LMBCUMYYBNSIGD-SFHVURJKSA-N 2 2 399.491 3.465 20 5 GGBDLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[N@H+](C)Cc1ccccc1 ZINC000171881143 1425841538 /nfs/dbraw/zinc/84/15/38/1425841538.db2.gz PFEHRCQBINUXGC-INIZCTEOSA-N 2 2 393.447 3.031 20 5 GGBDLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000171881143 1425841540 /nfs/dbraw/zinc/84/15/40/1425841540.db2.gz PFEHRCQBINUXGC-INIZCTEOSA-N 2 2 393.447 3.031 20 5 GGBDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000173353637 1426529586 /nfs/dbraw/zinc/52/95/86/1426529586.db2.gz VYHKEIUXGFWRPJ-QGZVFWFLSA-N 2 2 385.464 3.157 20 5 GGBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280281 1429823522 /nfs/dbraw/zinc/82/35/22/1429823522.db2.gz DHVRTEAAFKPXOL-HIFRSBDPSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280281 1429823523 /nfs/dbraw/zinc/82/35/23/1429823523.db2.gz DHVRTEAAFKPXOL-HIFRSBDPSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280281 1429823524 /nfs/dbraw/zinc/82/35/24/1429823524.db2.gz DHVRTEAAFKPXOL-HIFRSBDPSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000180280281 1429823528 /nfs/dbraw/zinc/82/35/28/1429823528.db2.gz DHVRTEAAFKPXOL-HIFRSBDPSA-N 2 2 399.438 3.163 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183670442 1430768227 /nfs/dbraw/zinc/76/82/27/1430768227.db2.gz JSXXWYIAXQPPOR-UXHICEINSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183670442 1430768231 /nfs/dbraw/zinc/76/82/31/1430768231.db2.gz JSXXWYIAXQPPOR-UXHICEINSA-N 2 2 388.512 3.004 20 5 GGBDLP COc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000184356769 1430877488 /nfs/dbraw/zinc/87/74/88/1430877488.db2.gz LAGJRDJKBMOMBU-UHFFFAOYSA-N 2 2 395.475 3.067 20 5 GGBDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000184754451 1430967424 /nfs/dbraw/zinc/96/74/24/1430967424.db2.gz VRPSZVCOFXIJFU-IRXDYDNUSA-N 2 2 396.491 3.280 20 5 GGBDLP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752110 1431224450 /nfs/dbraw/zinc/22/44/50/1431224450.db2.gz ZZEQVQWVQMVEND-KBPBESRZSA-N 2 2 394.903 3.429 20 5 GGBDLP C[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752110 1431224451 /nfs/dbraw/zinc/22/44/51/1431224451.db2.gz ZZEQVQWVQMVEND-KBPBESRZSA-N 2 2 394.903 3.429 20 5 GGBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237278383 1433395493 /nfs/dbraw/zinc/39/54/93/1433395493.db2.gz DYBWWTXCBIOSFW-LJQANCHMSA-N 2 2 385.464 3.366 20 5 GGBDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237278383 1433395495 /nfs/dbraw/zinc/39/54/95/1433395495.db2.gz DYBWWTXCBIOSFW-LJQANCHMSA-N 2 2 385.464 3.366 20 5 GGBDLP O=[N+]([O-])c1cccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000237990961 1433438282 /nfs/dbraw/zinc/43/82/82/1433438282.db2.gz QVATVSCYYJYECR-UHFFFAOYSA-N 2 2 382.508 3.282 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248385727 1433792089 /nfs/dbraw/zinc/79/20/89/1433792089.db2.gz JSXXWYIAXQPPOR-VQTJNVASSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248385727 1433792092 /nfs/dbraw/zinc/79/20/92/1433792092.db2.gz JSXXWYIAXQPPOR-VQTJNVASSA-N 2 2 388.512 3.004 20 5 GGBDLP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268828086 1434561922 /nfs/dbraw/zinc/56/19/22/1434561922.db2.gz QDNHLYTWNCSDKF-OAQYLSRUSA-N 2 2 396.491 3.223 20 5 GGBDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000270846004 1434781161 /nfs/dbraw/zinc/78/11/61/1434781161.db2.gz FYLXNOGTNJYRGF-UHFFFAOYSA-N 2 2 380.920 3.239 20 5 GGBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2c(c1)COCO2 ZINC000278788608 1435423941 /nfs/dbraw/zinc/42/39/41/1435423941.db2.gz DTCHNOLKKQQPBU-UHFFFAOYSA-N 2 2 398.463 3.374 20 5 GGBDLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414889327 565963941 /nfs/dbraw/zinc/96/39/41/565963941.db2.gz LKPNVFOZDTWVOW-OAHLLOKOSA-N 2 2 380.242 3.444 20 5 GGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000290909421 566196539 /nfs/dbraw/zinc/19/65/39/566196539.db2.gz PAGHLGYJHIKDRV-GFCCVEGCSA-N 2 2 388.295 3.492 20 5 GGBDLP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577250055 566417765 /nfs/dbraw/zinc/41/77/65/566417765.db2.gz LSMJPPAJAWTGRH-UHFFFAOYSA-N 2 2 391.253 3.019 20 5 GGBDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577250055 566417770 /nfs/dbraw/zinc/41/77/70/566417770.db2.gz LSMJPPAJAWTGRH-UHFFFAOYSA-N 2 2 391.253 3.019 20 5 GGBDLP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713518 1406134154 /nfs/dbraw/zinc/13/41/54/1406134154.db2.gz SEWNSVWMFXNHMA-UHFFFAOYSA-N 2 2 388.512 3.430 20 5 GGBDLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000064725658 1408601777 /nfs/dbraw/zinc/60/17/77/1408601777.db2.gz JTUFAESDSWUOES-SOLBZPMBSA-N 2 2 397.479 3.258 20 5 GGBDLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000064725658 1408601783 /nfs/dbraw/zinc/60/17/83/1408601783.db2.gz JTUFAESDSWUOES-SOLBZPMBSA-N 2 2 397.479 3.258 20 5 GGBDLP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000109122924 1411688414 /nfs/dbraw/zinc/68/84/14/1411688414.db2.gz TZQRCTLGRUHQNN-INIZCTEOSA-N 2 2 385.468 3.022 20 5 GGBDLP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000109122924 1411688416 /nfs/dbraw/zinc/68/84/16/1411688416.db2.gz TZQRCTLGRUHQNN-INIZCTEOSA-N 2 2 385.468 3.022 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124616914 1415006635 /nfs/dbraw/zinc/00/66/35/1415006635.db2.gz GULKJUNFBHMWDY-UXHICEINSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124616914 1415006639 /nfs/dbraw/zinc/00/66/39/1415006639.db2.gz GULKJUNFBHMWDY-UXHICEINSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124805734 1415048257 /nfs/dbraw/zinc/04/82/57/1415048257.db2.gz MWHXJCPOAJYSOE-HOTGVXAUSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124805734 1415048261 /nfs/dbraw/zinc/04/82/61/1415048261.db2.gz MWHXJCPOAJYSOE-HOTGVXAUSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124805492 1415048306 /nfs/dbraw/zinc/04/83/06/1415048306.db2.gz MWHXJCPOAJYSOE-CVEARBPZSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124805492 1415048312 /nfs/dbraw/zinc/04/83/12/1415048312.db2.gz MWHXJCPOAJYSOE-CVEARBPZSA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178877036 1429207971 /nfs/dbraw/zinc/20/79/71/1429207971.db2.gz YLZZOMVEMZIXRI-SJORKVTESA-N 2 2 394.541 3.066 20 5 GGBDLP CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178877036 1429207979 /nfs/dbraw/zinc/20/79/79/1429207979.db2.gz YLZZOMVEMZIXRI-SJORKVTESA-N 2 2 394.541 3.066 20 5 GGBDLP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000155164147 1423204793 /nfs/dbraw/zinc/20/47/93/1423204793.db2.gz AXYIHPDLYBLCBX-SFHVURJKSA-N 2 2 399.491 3.465 20 5 GGBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155168950 1423208197 /nfs/dbraw/zinc/20/81/97/1423208197.db2.gz APOGINGEFWSVAB-GOSISDBHSA-N 2 2 399.491 3.465 20 5 GGBDLP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000162024167 1424809584 /nfs/dbraw/zinc/80/95/84/1424809584.db2.gz HLERCXFXEPELLN-SFHVURJKSA-N 2 2 399.491 3.465 20 5 GGBDLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516252 1426688935 /nfs/dbraw/zinc/68/89/35/1426688935.db2.gz HKTLQWVZTNPFHH-SFHVURJKSA-N 2 2 379.464 3.356 20 5 GGBDLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516252 1426688941 /nfs/dbraw/zinc/68/89/41/1426688941.db2.gz HKTLQWVZTNPFHH-SFHVURJKSA-N 2 2 379.464 3.356 20 5 GGBDLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516252 1426688950 /nfs/dbraw/zinc/68/89/50/1426688950.db2.gz HKTLQWVZTNPFHH-SFHVURJKSA-N 2 2 379.464 3.356 20 5 GGBDLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000173516252 1426688961 /nfs/dbraw/zinc/68/89/61/1426688961.db2.gz HKTLQWVZTNPFHH-SFHVURJKSA-N 2 2 379.464 3.356 20 5 GGBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101278 1430613229 /nfs/dbraw/zinc/61/32/29/1430613229.db2.gz RSBNUFOFWSMULP-CABCVRRESA-N 2 2 375.469 3.204 20 5 GGBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101278 1430613231 /nfs/dbraw/zinc/61/32/31/1430613231.db2.gz RSBNUFOFWSMULP-CABCVRRESA-N 2 2 375.469 3.204 20 5 GGBDLP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752131 1431224484 /nfs/dbraw/zinc/22/44/84/1431224484.db2.gz ZZEQVQWVQMVEND-KGLIPLIRSA-N 2 2 394.903 3.429 20 5 GGBDLP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752131 1431224485 /nfs/dbraw/zinc/22/44/85/1431224485.db2.gz ZZEQVQWVQMVEND-KGLIPLIRSA-N 2 2 394.903 3.429 20 5 GGBDLP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752089 1431224519 /nfs/dbraw/zinc/22/45/19/1431224519.db2.gz ZZEQVQWVQMVEND-ZIAGYGMSSA-N 2 2 394.903 3.429 20 5 GGBDLP C[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752089 1431224523 /nfs/dbraw/zinc/22/45/23/1431224523.db2.gz ZZEQVQWVQMVEND-ZIAGYGMSSA-N 2 2 394.903 3.429 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191517669 1432677530 /nfs/dbraw/zinc/67/75/30/1432677530.db2.gz GVAYXUNIIDETBY-UHFFFAOYSA-N 2 2 384.440 3.316 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191517669 1432677531 /nfs/dbraw/zinc/67/75/31/1432677531.db2.gz GVAYXUNIIDETBY-UHFFFAOYSA-N 2 2 384.440 3.316 20 5 GGBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918038 1432907534 /nfs/dbraw/zinc/90/75/34/1432907534.db2.gz WMURWTFGSYXMNA-KRWDZBQOSA-N 2 2 385.464 3.224 20 5 GGBDLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1OC ZINC000192918038 1432907539 /nfs/dbraw/zinc/90/75/39/1432907539.db2.gz WMURWTFGSYXMNA-KRWDZBQOSA-N 2 2 385.464 3.224 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245679432 1433498474 /nfs/dbraw/zinc/49/84/74/1433498474.db2.gz GULKJUNFBHMWDY-WOJBJXKFSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245679432 1433498476 /nfs/dbraw/zinc/49/84/76/1433498476.db2.gz GULKJUNFBHMWDY-WOJBJXKFSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245720907 1433505704 /nfs/dbraw/zinc/50/57/04/1433505704.db2.gz PRUPNLMUFLJKIT-VQTJNVASSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245720907 1433505708 /nfs/dbraw/zinc/50/57/08/1433505708.db2.gz PRUPNLMUFLJKIT-VQTJNVASSA-N 2 2 388.512 3.004 20 5 GGBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898634 1433536970 /nfs/dbraw/zinc/53/69/70/1433536970.db2.gz DHVRTEAAFKPXOL-DZGCQCFKSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898634 1433536975 /nfs/dbraw/zinc/53/69/75/1433536975.db2.gz DHVRTEAAFKPXOL-DZGCQCFKSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898634 1433536983 /nfs/dbraw/zinc/53/69/83/1433536983.db2.gz DHVRTEAAFKPXOL-DZGCQCFKSA-N 2 2 399.438 3.163 20 5 GGBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000245898634 1433536988 /nfs/dbraw/zinc/53/69/88/1433536988.db2.gz DHVRTEAAFKPXOL-DZGCQCFKSA-N 2 2 399.438 3.163 20 5 GGBDLP C[N@H+](CCN1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000255081324 1433876024 /nfs/dbraw/zinc/87/60/24/1433876024.db2.gz NJEJZYVNPPAXDN-XFFZJAGNSA-N 2 2 394.519 3.358 20 5 GGBDLP C[N@@H+](CCN1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000255081324 1433876025 /nfs/dbraw/zinc/87/60/25/1433876025.db2.gz NJEJZYVNPPAXDN-XFFZJAGNSA-N 2 2 394.519 3.358 20 5 GGBDLP [NH3+]CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccc1 ZINC000261812786 1433905039 /nfs/dbraw/zinc/90/50/39/1433905039.db2.gz STRXWEZRMRUAHA-UHFFFAOYSA-N 2 2 380.448 3.296 20 5 GGBDLP [NH3+]CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCc1ccccc1 ZINC000261812786 1433905042 /nfs/dbraw/zinc/90/50/42/1433905042.db2.gz STRXWEZRMRUAHA-UHFFFAOYSA-N 2 2 380.448 3.296 20 5 GGBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)CC1 ZINC000266386513 1434328675 /nfs/dbraw/zinc/32/86/75/1434328675.db2.gz NLUHNLMTKCSSAO-UHFFFAOYSA-N 2 2 384.427 3.167 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298739 1434420527 /nfs/dbraw/zinc/42/05/27/1434420527.db2.gz UCRSLNACCKOYGY-IERDGZPVSA-N 2 2 397.475 3.462 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000267298739 1434420528 /nfs/dbraw/zinc/42/05/28/1434420528.db2.gz UCRSLNACCKOYGY-IERDGZPVSA-N 2 2 397.475 3.462 20 5 GGBDLP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000268828085 1434561978 /nfs/dbraw/zinc/56/19/78/1434561978.db2.gz QDNHLYTWNCSDKF-NRFANRHFSA-N 2 2 396.491 3.223 20 5 GGBDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1[N+](=O)[O-] ZINC000268829422 1434562172 /nfs/dbraw/zinc/56/21/72/1434562172.db2.gz QGZWQNGVPYWUFJ-QGZVFWFLSA-N 2 2 396.491 3.142 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003555 1434580538 /nfs/dbraw/zinc/58/05/38/1434580538.db2.gz VKDYCZLCNTZMQR-AEFFLSMTSA-N 2 2 382.464 3.034 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003555 1434580539 /nfs/dbraw/zinc/58/05/39/1434580539.db2.gz VKDYCZLCNTZMQR-AEFFLSMTSA-N 2 2 382.464 3.034 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003558 1434580551 /nfs/dbraw/zinc/58/05/51/1434580551.db2.gz VKDYCZLCNTZMQR-WMZOPIPTSA-N 2 2 382.464 3.034 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003558 1434580552 /nfs/dbraw/zinc/58/05/52/1434580552.db2.gz VKDYCZLCNTZMQR-WMZOPIPTSA-N 2 2 382.464 3.034 20 5 GGBDLP COc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1[N+](=O)[O-] ZINC000269156604 1434599014 /nfs/dbraw/zinc/59/90/14/1434599014.db2.gz RYIRWWAMTGCCBM-UHFFFAOYSA-N 2 2 385.468 3.141 20 5 GGBDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CC1 ZINC000269357700 1434630233 /nfs/dbraw/zinc/63/02/33/1434630233.db2.gz URNSFCVUMUXWKQ-UHFFFAOYSA-N 2 2 383.496 3.138 20 5 GGBDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454659 1434897555 /nfs/dbraw/zinc/89/75/55/1434897555.db2.gz QBZGKJSEFDSLNF-CYBMUJFWSA-N 2 2 387.427 3.069 20 5 GGBDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272454659 1434897556 /nfs/dbraw/zinc/89/75/56/1434897556.db2.gz QBZGKJSEFDSLNF-CYBMUJFWSA-N 2 2 387.427 3.069 20 5 GGBDLP COc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272523961 1434904011 /nfs/dbraw/zinc/90/40/11/1434904011.db2.gz YOZIAHBYNVRMCG-UHFFFAOYSA-N 2 2 399.438 3.211 20 5 GGBDLP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272590305 1434911530 /nfs/dbraw/zinc/91/15/30/1434911530.db2.gz MRZCSCJLNTUKHP-UHFFFAOYSA-N 2 2 398.410 3.274 20 5 GGBDLP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272590305 1434911534 /nfs/dbraw/zinc/91/15/34/1434911534.db2.gz MRZCSCJLNTUKHP-UHFFFAOYSA-N 2 2 398.410 3.274 20 5 GGBDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000273054742 1434955674 /nfs/dbraw/zinc/95/56/74/1434955674.db2.gz ZCFQLLJDJPCVMA-UHFFFAOYSA-N 2 2 380.920 3.239 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801310 1435093749 /nfs/dbraw/zinc/09/37/49/1435093749.db2.gz FKGQPWFRXKJNMU-DYESRHJHSA-N 2 2 396.491 3.058 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801310 1435093751 /nfs/dbraw/zinc/09/37/51/1435093751.db2.gz FKGQPWFRXKJNMU-DYESRHJHSA-N 2 2 396.491 3.058 20 5 GGBDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801317 1435093778 /nfs/dbraw/zinc/09/37/78/1435093778.db2.gz FKGQPWFRXKJNMU-UTKZUKDTSA-N 2 2 396.491 3.058 20 5 GGBDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801317 1435093780 /nfs/dbraw/zinc/09/37/80/1435093780.db2.gz FKGQPWFRXKJNMU-UTKZUKDTSA-N 2 2 396.491 3.058 20 5 GGBDLP Cc1[nH+]ccn1CCCNc1ccc([N+](=O)[O-])c(NCCCn2cc[nH+]c2C)n1 ZINC000277754416 1435327469 /nfs/dbraw/zinc/32/74/69/1435327469.db2.gz KAHJKXDVTHQHGV-UHFFFAOYSA-N 2 2 398.471 3.004 20 5 GGBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC1 ZINC000414812217 565962486 /nfs/dbraw/zinc/96/24/86/565962486.db2.gz XFVXZXYAHKUNKU-HNNXBMFYSA-N 2 2 380.242 3.444 20 5 GGBDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750846 566138807 /nfs/dbraw/zinc/13/88/07/566138807.db2.gz IVQNECZHLPDJLR-HNNXBMFYSA-N 2 2 387.311 3.113 20 5 GGBDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000289750846 566138812 /nfs/dbraw/zinc/13/88/12/566138812.db2.gz IVQNECZHLPDJLR-HNNXBMFYSA-N 2 2 387.311 3.113 20 5 GGBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000290909423 566195884 /nfs/dbraw/zinc/19/58/84/566195884.db2.gz PAGHLGYJHIKDRV-LBPRGKRZSA-N 2 2 388.295 3.492 20 5 GGBDLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000177255283 1428655566 /nfs/dbraw/zinc/65/55/66/1428655566.db2.gz VFMYQTJYGPYQIZ-UHFFFAOYSA-N 2 2 384.480 3.137 20 5 GGBDLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1[N+](=O)[O-] ZINC000177255283 1428655576 /nfs/dbraw/zinc/65/55/76/1428655576.db2.gz VFMYQTJYGPYQIZ-UHFFFAOYSA-N 2 2 384.480 3.137 20 5 GGBDLP C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259212 1428657270 /nfs/dbraw/zinc/65/72/70/1428657270.db2.gz MOFWAANTFZCSJY-UHFFFAOYSA-N 2 2 398.507 3.398 20 5 GGBDLP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259212 1428657272 /nfs/dbraw/zinc/65/72/72/1428657272.db2.gz MOFWAANTFZCSJY-UHFFFAOYSA-N 2 2 398.507 3.398 20 5 GGBDLP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000177301836 1428678731 /nfs/dbraw/zinc/67/87/31/1428678731.db2.gz NGCGNQUPCFIZHI-UHFFFAOYSA-N 2 2 379.420 3.403 20 5 GGBDLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000123646081 1414802896 /nfs/dbraw/zinc/80/28/96/1414802896.db2.gz KSGLYSZCLKFUMP-UHFFFAOYSA-N 2 2 382.892 3.241 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124786539 1415043938 /nfs/dbraw/zinc/04/39/38/1415043938.db2.gz PRUPNLMUFLJKIT-UXHICEINSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124786539 1415043942 /nfs/dbraw/zinc/04/39/42/1415043942.db2.gz PRUPNLMUFLJKIT-UXHICEINSA-N 2 2 388.512 3.004 20 5 GGBDLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000131481334 1416564441 /nfs/dbraw/zinc/56/44/41/1416564441.db2.gz KCTFOUSMKHGTEF-LJQANCHMSA-N 2 2 393.871 3.443 20 5 GGBDLP O=c1oc2ccc([N+](=O)[O-])cc2n1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155069286 1423144395 /nfs/dbraw/zinc/14/43/95/1423144395.db2.gz PSIYTLAVTICMLU-UHFFFAOYSA-N 2 2 388.468 3.048 20 5 GGBDLP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000155164027 1423204572 /nfs/dbraw/zinc/20/45/72/1423204572.db2.gz AXYIHPDLYBLCBX-GOSISDBHSA-N 2 2 399.491 3.465 20 5 GGBDLP Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000155169170 1423207742 /nfs/dbraw/zinc/20/77/42/1423207742.db2.gz PMYYIIYCEVRZQW-GOSISDBHSA-N 2 2 399.491 3.465 20 5 GGBDLP CN(c1ccccc1)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000155499561 1423388026 /nfs/dbraw/zinc/38/80/26/1423388026.db2.gz SCAAANSCGRJWPF-UHFFFAOYSA-N 2 2 398.507 3.251 20 5 GGBDLP CN(c1ccccc1)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000155499561 1423388038 /nfs/dbraw/zinc/38/80/38/1423388038.db2.gz SCAAANSCGRJWPF-UHFFFAOYSA-N 2 2 398.507 3.251 20 5 GGBDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000155499070 1423388183 /nfs/dbraw/zinc/38/81/83/1423388183.db2.gz PKPXBCVFMNUDKR-UHFFFAOYSA-N 2 2 375.494 3.212 20 5 GGBDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000155499070 1423388192 /nfs/dbraw/zinc/38/81/92/1423388192.db2.gz PKPXBCVFMNUDKR-UHFFFAOYSA-N 2 2 375.494 3.212 20 5 GGBDLP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000162029036 1424809962 /nfs/dbraw/zinc/80/99/62/1424809962.db2.gz JRMIBAHJVBJKCX-SFHVURJKSA-N 2 2 399.491 3.465 20 5 GGBDLP C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000175652428 1427845469 /nfs/dbraw/zinc/84/54/69/1427845469.db2.gz IAOBHARQVMOFKP-UHFFFAOYSA-N 2 2 399.476 3.046 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183670465 1430768075 /nfs/dbraw/zinc/76/80/75/1430768075.db2.gz JSXXWYIAXQPPOR-PMACEKPBSA-N 2 2 388.512 3.004 20 5 GGBDLP CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183670465 1430768083 /nfs/dbraw/zinc/76/80/83/1430768083.db2.gz JSXXWYIAXQPPOR-PMACEKPBSA-N 2 2 388.512 3.004 20 5 GGBDLP COc1cc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184195922 1430854546 /nfs/dbraw/zinc/85/45/46/1430854546.db2.gz UNZPRUQFZAHBFD-HUUCEWRRSA-N 2 2 395.475 3.064 20 5 GGBDLP C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187264224 1431672477 /nfs/dbraw/zinc/67/24/77/1431672477.db2.gz CVBHPGQVMFADHV-YWZLYKJASA-N 2 2 393.447 3.202 20 5 GGBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313512 1432358647 /nfs/dbraw/zinc/35/86/47/1432358647.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 2 2 381.476 3.177 20 5 GGBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190313512 1432358651 /nfs/dbraw/zinc/35/86/51/1432358651.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 2 2 381.476 3.177 20 5 GGBDLP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313512 1432358655 /nfs/dbraw/zinc/35/86/55/1432358655.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 2 2 381.476 3.177 20 5 GGBDLP C[NH+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313512 1432358658 /nfs/dbraw/zinc/35/86/58/1432358658.db2.gz QDHKBKNNBUWCAB-ICKBMGCOSA-N 2 2 381.476 3.177 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191496508 1432672324 /nfs/dbraw/zinc/67/23/24/1432672324.db2.gz HPKNJEUWKKLXIP-UHFFFAOYSA-N 2 2 384.440 3.316 20 5 GGBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000191496508 1432672330 /nfs/dbraw/zinc/67/23/30/1432672330.db2.gz HPKNJEUWKKLXIP-UHFFFAOYSA-N 2 2 384.440 3.316 20 5 GGBDLP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000194535244 1433193741 /nfs/dbraw/zinc/19/37/41/1433193741.db2.gz CSQNKJZCWHMVRL-KDURUIRLSA-N 2 2 397.475 3.176 20 5 GGBDLP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000194535244 1433193745 /nfs/dbraw/zinc/19/37/45/1433193745.db2.gz CSQNKJZCWHMVRL-KDURUIRLSA-N 2 2 397.475 3.176 20 5 GGBDLP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000194535244 1433193748 /nfs/dbraw/zinc/19/37/48/1433193748.db2.gz CSQNKJZCWHMVRL-KDURUIRLSA-N 2 2 397.475 3.176 20 5 GGBDLP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000194535244 1433193751 /nfs/dbraw/zinc/19/37/51/1433193751.db2.gz CSQNKJZCWHMVRL-KDURUIRLSA-N 2 2 397.475 3.176 20 5 GGBDLP O=[N+]([O-])c1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000237980650 1433437740 /nfs/dbraw/zinc/43/77/40/1433437740.db2.gz MVEMMMMYERCDEN-UHFFFAOYSA-N 2 2 382.508 3.282 20 5 GGBDLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692493 1433500734 /nfs/dbraw/zinc/50/07/34/1433500734.db2.gz AUXAHWMFURVTPJ-UWJYYQICSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692493 1433500736 /nfs/dbraw/zinc/50/07/36/1433500736.db2.gz AUXAHWMFURVTPJ-UWJYYQICSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692493 1433500739 /nfs/dbraw/zinc/50/07/39/1433500739.db2.gz AUXAHWMFURVTPJ-UWJYYQICSA-N 2 2 395.507 3.444 20 5 GGBDLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000245692493 1433500742 /nfs/dbraw/zinc/50/07/42/1433500742.db2.gz AUXAHWMFURVTPJ-UWJYYQICSA-N 2 2 395.507 3.444 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003556 1434580557 /nfs/dbraw/zinc/58/05/57/1434580557.db2.gz VKDYCZLCNTZMQR-FUHWJXTLSA-N 2 2 382.464 3.034 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000269003556 1434580559 /nfs/dbraw/zinc/58/05/59/1434580559.db2.gz VKDYCZLCNTZMQR-FUHWJXTLSA-N 2 2 382.464 3.034 20 5 GGBDLP Cn1ccnc1[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc([N+](=O)[O-])cc1 ZINC000272484990 1434899640 /nfs/dbraw/zinc/89/96/40/1434899640.db2.gz CUUXFMWOHZDTQL-LJQANCHMSA-N 2 2 380.452 3.295 20 5 GGBDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801321 1435093710 /nfs/dbraw/zinc/09/37/10/1435093710.db2.gz FKGQPWFRXKJNMU-UWJYYQICSA-N 2 2 396.491 3.058 20 5 GGBDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000274801321 1435093712 /nfs/dbraw/zinc/09/37/12/1435093712.db2.gz FKGQPWFRXKJNMU-UWJYYQICSA-N 2 2 396.491 3.058 20 5 GGBDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000278527839 1435397406 /nfs/dbraw/zinc/39/74/06/1435397406.db2.gz DOTINIUCNIWKCQ-UHFFFAOYSA-N 2 2 398.463 3.479 20 5 GGBDLP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278945952 1435443542 /nfs/dbraw/zinc/44/35/42/1435443542.db2.gz VCVLESIIKCVYDR-HNNXBMFYSA-N 2 2 397.479 3.334 20 5 GGBDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455794 1435847800 /nfs/dbraw/zinc/84/78/00/1435847800.db2.gz JHEOOIVKRTUUDE-HXUWFJFHSA-N 2 2 396.491 3.084 20 5 GGBDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455794 1435847801 /nfs/dbraw/zinc/84/78/01/1435847801.db2.gz JHEOOIVKRTUUDE-HXUWFJFHSA-N 2 2 396.491 3.084 20 5 GGBDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455788 1435847892 /nfs/dbraw/zinc/84/78/92/1435847892.db2.gz JHEOOIVKRTUUDE-FQEVSTJZSA-N 2 2 396.491 3.084 20 5 GGBDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000282455788 1435847893 /nfs/dbraw/zinc/84/78/93/1435847893.db2.gz JHEOOIVKRTUUDE-FQEVSTJZSA-N 2 2 396.491 3.084 20 5 GGBDLP