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+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708171593 1093203056 /nfs/dbraw/zinc/20/30/56/1093203056.db2.gz MHIOAHHPPWSSSP-NSHDSACASA-N 1 2 333.657 2.992 10 10 EFCELO C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708171593 1093203059 /nfs/dbraw/zinc/20/30/59/1093203059.db2.gz MHIOAHHPPWSSSP-NSHDSACASA-N 1 2 333.657 2.992 10 10 EFCELO NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC001626572504 1099893081 /nfs/dbraw/zinc/89/30/81/1099893081.db2.gz UNXGWMWLYDUURD-OAHLLOKOSA-N 1 2 339.355 2.538 10 10 EFCELO CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001627028442 1099948570 /nfs/dbraw/zinc/94/85/70/1099948570.db2.gz HYYAZPQJZMTMHQ-UHFFFAOYSA-N 1 2 349.427 2.997 10 10 EFCELO COC(=O)[C@@H](COC1CCC1)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001642281170 1101203138 /nfs/dbraw/zinc/20/31/38/1101203138.db2.gz FZLCJJNDSLPCOB-GOSISDBHSA-N 1 2 334.460 2.604 10 10 EFCELO COC(=O)[C@@H](COC1CCC1)[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC001642281170 1101203141 /nfs/dbraw/zinc/20/31/41/1101203141.db2.gz FZLCJJNDSLPCOB-GOSISDBHSA-N 1 2 334.460 2.604 10 10 EFCELO CCCC[C@@H](C(=O)OC)[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001657876133 1102417083 /nfs/dbraw/zinc/41/70/83/1102417083.db2.gz PAVAGIXKUMHIMG-SFHVURJKSA-N 1 2 334.460 2.939 10 10 EFCELO COC(=O)[C@H]1CSCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000840977945 1102648956 /nfs/dbraw/zinc/64/89/56/1102648956.db2.gz OBEFOZDAHCNYOR-SNVBAGLBSA-N 1 2 333.812 2.523 10 10 EFCELO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000840977945 1102648972 /nfs/dbraw/zinc/64/89/72/1102648972.db2.gz OBEFOZDAHCNYOR-SNVBAGLBSA-N 1 2 333.812 2.523 10 10 EFCELO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000840977944 1102649518 /nfs/dbraw/zinc/64/95/18/1102649518.db2.gz OBEFOZDAHCNYOR-JTQLQIEISA-N 1 2 333.812 2.523 10 10 EFCELO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000840977944 1102649521 /nfs/dbraw/zinc/64/95/21/1102649521.db2.gz OBEFOZDAHCNYOR-JTQLQIEISA-N 1 2 333.812 2.523 10 10 EFCELO COc1ccnc(NC2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000191689891 240003961 /nfs/dbraw/zinc/00/39/61/240003961.db2.gz KPISXYHSZKQGRQ-UHFFFAOYSA-N 1 2 348.834 2.921 10 10 EFCELO CCS(=O)(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000195157658 240206650 /nfs/dbraw/zinc/20/66/50/240206650.db2.gz QQLXIUHGSGQUNU-UHFFFAOYSA-N 1 2 331.865 2.753 10 10 EFCELO CCN(CC)c1ccc(CNC(=O)NCc2[nH+]ccn2CC)cc1F ZINC000296646953 241094560 /nfs/dbraw/zinc/09/45/60/241094560.db2.gz NBOLKHFSVUJPME-UHFFFAOYSA-N 1 2 347.438 2.888 10 10 EFCELO C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1O ZINC000187735096 299374093 /nfs/dbraw/zinc/37/40/93/299374093.db2.gz MKORIRZQMNTYED-NWDGAFQWSA-N 1 2 336.386 2.724 10 10 EFCELO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366111590 242343136 /nfs/dbraw/zinc/34/31/36/242343136.db2.gz BYNREKTUAINDPZ-HNNXBMFYSA-N 1 2 342.443 2.985 10 10 EFCELO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366111590 242343141 /nfs/dbraw/zinc/34/31/41/242343141.db2.gz BYNREKTUAINDPZ-HNNXBMFYSA-N 1 2 342.443 2.985 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364862530 242309729 /nfs/dbraw/zinc/30/97/29/242309729.db2.gz QWHCCWODZPPZQO-WDEREUQCSA-N 1 2 345.798 2.727 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364862530 242309734 /nfs/dbraw/zinc/30/97/34/242309734.db2.gz QWHCCWODZPPZQO-WDEREUQCSA-N 1 2 345.798 2.727 10 10 EFCELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364862518 242309833 /nfs/dbraw/zinc/30/98/33/242309833.db2.gz QWHCCWODZPPZQO-GHMZBOCLSA-N 1 2 345.798 2.727 10 10 EFCELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000364862518 242309837 /nfs/dbraw/zinc/30/98/37/242309837.db2.gz QWHCCWODZPPZQO-GHMZBOCLSA-N 1 2 345.798 2.727 10 10 EFCELO Fc1cc(C[NH2+][C@H]2CCCc3[nH]ncc32)ccc1N1CCOCC1 ZINC000367596553 242386423 /nfs/dbraw/zinc/38/64/23/242386423.db2.gz PXAIBMUQLHUWBD-INIZCTEOSA-N 1 2 330.407 2.553 10 10 EFCELO OCC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4[nH]ncc43)cc2)CC1 ZINC000375792442 242482341 /nfs/dbraw/zinc/48/23/41/242482341.db2.gz QEBKXSHBNDXUGR-LJQANCHMSA-N 1 2 340.471 2.786 10 10 EFCELO COC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177105357 533390374 /nfs/dbraw/zinc/39/03/74/533390374.db2.gz CKCAXPDKJSNNFW-NSHDSACASA-N 1 2 325.792 2.633 10 10 EFCELO COC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177105357 533390378 /nfs/dbraw/zinc/39/03/78/533390378.db2.gz CKCAXPDKJSNNFW-NSHDSACASA-N 1 2 325.792 2.633 10 10 EFCELO Cc1ccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000012983235 292040445 /nfs/dbraw/zinc/04/04/45/292040445.db2.gz USGXBUQAVBCWPX-QINSGFPZSA-N 1 2 348.493 2.528 10 10 EFCELO C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1O ZINC000185994520 287071662 /nfs/dbraw/zinc/07/16/62/287071662.db2.gz YMOHREVMVNYYDB-BDAKNGLRSA-N 1 2 327.215 2.956 10 10 EFCELO COc1cccc(C[N@@H+]2CCNC(=O)[C@H]2c2ccc(F)cc2C)c1O ZINC000185624448 278010497 /nfs/dbraw/zinc/01/04/97/278010497.db2.gz LPYFGBGNBWGYQV-QGZVFWFLSA-N 1 2 344.386 2.521 10 10 EFCELO COc1cccc(C[N@H+]2CCNC(=O)[C@H]2c2ccc(F)cc2C)c1O ZINC000185624448 278010499 /nfs/dbraw/zinc/01/04/99/278010499.db2.gz LPYFGBGNBWGYQV-QGZVFWFLSA-N 1 2 344.386 2.521 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000247297053 278243809 /nfs/dbraw/zinc/24/38/09/278243809.db2.gz ULVFZZIFYFELGJ-HUUCEWRRSA-N 1 2 341.860 2.955 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000247297053 278243812 /nfs/dbraw/zinc/24/38/12/278243812.db2.gz ULVFZZIFYFELGJ-HUUCEWRRSA-N 1 2 341.860 2.955 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(n3cncn3)CC2)c1O ZINC000177271949 473344663 /nfs/dbraw/zinc/34/46/63/473344663.db2.gz WBNPPARHORCNDB-UHFFFAOYSA-N 1 2 334.807 2.677 10 10 EFCELO O=C1N=C(NC2CCCC2)SC1=Cc1[nH+]ccn1CC(F)(F)F ZINC000096316206 473375670 /nfs/dbraw/zinc/37/56/70/473375670.db2.gz NGCDCSIXCLVHNJ-JXMROGBWSA-N 1 2 344.362 2.948 10 10 EFCELO COc1ccc(N2CC[NH+](Cc3nc4ccccc4n3C)CC2)cc1 ZINC000019923762 471985319 /nfs/dbraw/zinc/98/53/19/471985319.db2.gz PPUXKZQEJJNCIO-UHFFFAOYSA-N 1 2 336.439 2.904 10 10 EFCELO COc1ccc(N2CCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)cc1 ZINC000119144528 472531591 /nfs/dbraw/zinc/53/15/91/472531591.db2.gz GVRITQXXHRQGCI-UHFFFAOYSA-N 1 2 326.400 2.753 10 10 EFCELO CC[C@H](O)C[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000123552068 473156256 /nfs/dbraw/zinc/15/62/56/473156256.db2.gz IFNCNQZVHZKAHZ-ZDUSSCGKSA-N 1 2 333.259 2.588 10 10 EFCELO CN(C)c1ccc(C[NH2+]Cc2nc(COc3ccccc3)n[nH]2)cc1 ZINC000185763595 473508808 /nfs/dbraw/zinc/50/88/08/473508808.db2.gz UIVFHRPTNLOAJT-UHFFFAOYSA-N 1 2 337.427 2.740 10 10 EFCELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000191333324 473528022 /nfs/dbraw/zinc/52/80/22/473528022.db2.gz PNNAXTJSVIGQBG-UHFFFAOYSA-N 1 2 336.798 2.687 10 10 EFCELO Oc1ccc(Cl)c(F)c1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000191333324 473528030 /nfs/dbraw/zinc/52/80/30/473528030.db2.gz PNNAXTJSVIGQBG-UHFFFAOYSA-N 1 2 336.798 2.687 10 10 EFCELO COCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191332340 473528864 /nfs/dbraw/zinc/52/88/64/473528864.db2.gz UYDHIOPMQOFOPX-NSHDSACASA-N 1 2 340.786 2.547 10 10 EFCELO C[N@H+](Cc1cccc(Cl)c1[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000180095671 473797173 /nfs/dbraw/zinc/79/71/73/473797173.db2.gz HQRKCIZTDLMLDR-UHFFFAOYSA-N 1 2 348.878 2.839 10 10 EFCELO C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000180095671 473797182 /nfs/dbraw/zinc/79/71/82/473797182.db2.gz HQRKCIZTDLMLDR-UHFFFAOYSA-N 1 2 348.878 2.839 10 10 EFCELO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000271379797 474516829 /nfs/dbraw/zinc/51/68/29/474516829.db2.gz RGYKQEQXWAISSP-LRDDRELGSA-N 1 2 337.803 2.963 10 10 EFCELO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000271379797 474516836 /nfs/dbraw/zinc/51/68/36/474516836.db2.gz RGYKQEQXWAISSP-LRDDRELGSA-N 1 2 337.803 2.963 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271420710 474538854 /nfs/dbraw/zinc/53/88/54/474538854.db2.gz ZEGZERWWGFGIEA-QZTJIDSGSA-N 1 2 330.428 2.670 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271420710 474538859 /nfs/dbraw/zinc/53/88/59/474538859.db2.gz ZEGZERWWGFGIEA-QZTJIDSGSA-N 1 2 330.428 2.670 10 10 EFCELO COc1c(O)c(CNc2ccc(N3CCCC3)[nH+]c2)ccc1[N+](=O)[O-] ZINC000278486005 474658132 /nfs/dbraw/zinc/65/81/32/474658132.db2.gz KHXQNMLYHSVFKG-UHFFFAOYSA-N 1 2 344.371 2.916 10 10 EFCELO C[C@@H](C(=O)Nc1ccc(O)c(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000252571075 474697484 /nfs/dbraw/zinc/69/74/84/474697484.db2.gz XQFTVWZPNVXQMT-OAHLLOKOSA-N 1 2 340.423 2.967 10 10 EFCELO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273595045 474980928 /nfs/dbraw/zinc/98/09/28/474980928.db2.gz QEERVDDFQFGCBF-WBMJQRKESA-N 1 2 341.367 2.757 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280613468 475039114 /nfs/dbraw/zinc/03/91/14/475039114.db2.gz VZQHWCJDBVVQET-GOSISDBHSA-N 1 2 337.391 2.504 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280613468 475039123 /nfs/dbraw/zinc/03/91/23/475039123.db2.gz VZQHWCJDBVVQET-GOSISDBHSA-N 1 2 337.391 2.504 10 10 EFCELO CCOCc1nc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)no1 ZINC000293859485 475055001 /nfs/dbraw/zinc/05/50/01/475055001.db2.gz IEUIFBGUAIEYOV-QMMMGPOBSA-N 1 2 329.759 2.955 10 10 EFCELO CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294619580 475075448 /nfs/dbraw/zinc/07/54/48/475075448.db2.gz JCJVAZVNMBFCLX-LLVKDONJSA-N 1 2 335.828 2.584 10 10 EFCELO CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294619580 475075458 /nfs/dbraw/zinc/07/54/58/475075458.db2.gz JCJVAZVNMBFCLX-LLVKDONJSA-N 1 2 335.828 2.584 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000369482598 476421338 /nfs/dbraw/zinc/42/13/38/476421338.db2.gz CJONRWYXONHACC-GOSISDBHSA-N 1 2 328.460 2.676 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000369482598 476421345 /nfs/dbraw/zinc/42/13/45/476421345.db2.gz CJONRWYXONHACC-GOSISDBHSA-N 1 2 328.460 2.676 10 10 EFCELO COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000370367986 476776133 /nfs/dbraw/zinc/77/61/33/476776133.db2.gz RIGHXMYKPRAGHU-UONOGXRCSA-N 1 2 327.808 2.506 10 10 EFCELO COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000370367986 476776141 /nfs/dbraw/zinc/77/61/41/476776141.db2.gz RIGHXMYKPRAGHU-UONOGXRCSA-N 1 2 327.808 2.506 10 10 EFCELO COc1cc(O)c(C[N@@H+]2CCc3nc(C(C)C)ncc3C2)cc1OC ZINC000527611954 478445879 /nfs/dbraw/zinc/44/58/79/478445879.db2.gz FQXCHACJKYNKMN-UHFFFAOYSA-N 1 2 343.427 2.881 10 10 EFCELO COc1cc(O)c(C[N@H+]2CCc3nc(C(C)C)ncc3C2)cc1OC ZINC000527611954 478445882 /nfs/dbraw/zinc/44/58/82/478445882.db2.gz FQXCHACJKYNKMN-UHFFFAOYSA-N 1 2 343.427 2.881 10 10 EFCELO COc1ccc(CC[NH2+]Cc2cccc(Br)c2O)cn1 ZINC000527793587 478520996 /nfs/dbraw/zinc/52/09/96/478520996.db2.gz MUKMGQCNMRDQIM-UHFFFAOYSA-N 1 2 337.217 2.891 10 10 EFCELO C[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1O ZINC000756351637 575721590 /nfs/dbraw/zinc/72/15/90/575721590.db2.gz MMRFWQUCCJCHNG-DGCLKSJQSA-N 1 2 330.340 2.791 10 10 EFCELO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756489580 575747594 /nfs/dbraw/zinc/74/75/94/575747594.db2.gz QBKLWNWRNRTKCD-BDAKNGLRSA-N 1 2 343.200 2.625 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000763646702 576383863 /nfs/dbraw/zinc/38/38/63/576383863.db2.gz AFDSTXWCDCSBAC-WLRWDXFRSA-N 1 2 346.290 2.664 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)c1 ZINC000763646702 576383864 /nfs/dbraw/zinc/38/38/64/576383864.db2.gz AFDSTXWCDCSBAC-WLRWDXFRSA-N 1 2 346.290 2.664 10 10 EFCELO COc1ccc([NH+]2CCC(NC(=O)c3ncc(C)cc3O)CC2)cc1 ZINC000763249666 576369474 /nfs/dbraw/zinc/36/94/74/576369474.db2.gz FPXOATUVSNTMOO-UHFFFAOYSA-N 1 2 341.411 2.503 10 10 EFCELO CCC[NH+](CCC)c1ccc([C@H]2NC(=O)[C@@H]3CSCCN32)cc1 ZINC000765511870 577049370 /nfs/dbraw/zinc/04/93/70/577049370.db2.gz CUMMZUNFFDJFOV-IRXDYDNUSA-N 1 2 333.501 2.859 10 10 EFCELO Cc1nc(N(C)C)nc(NCc2ccc(N3CCCCC3)cc2)[nH+]1 ZINC000768525612 577280544 /nfs/dbraw/zinc/28/05/44/577280544.db2.gz KAUKQAOTAXRRID-UHFFFAOYSA-N 1 2 326.448 2.848 10 10 EFCELO C[N@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(C2CC2)C1 ZINC000769325952 577352185 /nfs/dbraw/zinc/35/21/85/577352185.db2.gz DUXRVJHXLGMKKK-CYBMUJFWSA-N 1 2 325.250 2.823 10 10 EFCELO C[N@@H+](Cc1cccc(Br)c1O)[C@@H]1CCN(C2CC2)C1 ZINC000769325952 577352188 /nfs/dbraw/zinc/35/21/88/577352188.db2.gz DUXRVJHXLGMKKK-CYBMUJFWSA-N 1 2 325.250 2.823 10 10 EFCELO CN(Cc1cccc(Br)c1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769325952 577352189 /nfs/dbraw/zinc/35/21/89/577352189.db2.gz DUXRVJHXLGMKKK-CYBMUJFWSA-N 1 2 325.250 2.823 10 10 EFCELO CN(Cc1cccc(Br)c1O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000769325952 577352191 /nfs/dbraw/zinc/35/21/91/577352191.db2.gz DUXRVJHXLGMKKK-CYBMUJFWSA-N 1 2 325.250 2.823 10 10 EFCELO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000769499467 577367402 /nfs/dbraw/zinc/36/74/02/577367402.db2.gz YPONLTPSSOBKBG-XJKSGUPXSA-N 1 2 344.377 2.675 10 10 EFCELO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C(F)(F)F)O1 ZINC000769499467 577367404 /nfs/dbraw/zinc/36/74/04/577367404.db2.gz YPONLTPSSOBKBG-XJKSGUPXSA-N 1 2 344.377 2.675 10 10 EFCELO O=C(NCCCSc1nccs1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000771508503 581219460 /nfs/dbraw/zinc/21/94/60/581219460.db2.gz HKMPIWKXJBLAKQ-UHFFFAOYSA-N 1 2 345.453 2.636 10 10 EFCELO COc1ccc(N2CC[C@H]([NH2+][C@@H](c3ncc[nH]3)c3cccnc3)C2)cc1 ZINC000850489294 1250500725 /nfs/dbraw/zinc/50/07/25/1250500725.db2.gz SMTYJAASHSSWFB-QFBILLFUSA-N 1 2 349.438 2.771 10 10 EFCELO C[NH+](C)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708139644 1259679328 /nfs/dbraw/zinc/67/93/28/1259679328.db2.gz HHMJGXKAVKELMD-NSHDSACASA-N 1 2 333.657 2.944 10 10 EFCELO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1O ZINC000824853298 1278314240 /nfs/dbraw/zinc/31/42/40/1278314240.db2.gz AFOSNFYTOAAXFM-YPMHNXCESA-N 1 2 342.233 2.976 10 10 EFCELO COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738949898 1268584506 /nfs/dbraw/zinc/58/45/06/1268584506.db2.gz DHMIKRYTMJQHBU-NSHDSACASA-N 1 2 326.356 2.931 10 10 EFCELO Cc1cc(C(=O)O[C@@H]2CC[N@H+](CCF)C2)c(C)n1-c1ccccn1 ZINC000788084562 1276034374 /nfs/dbraw/zinc/03/43/74/1276034374.db2.gz SDSODCYLFNKOFG-OAHLLOKOSA-N 1 2 331.391 2.690 10 10 EFCELO Cc1cc(C(=O)O[C@@H]2CC[N@@H+](CCF)C2)c(C)n1-c1ccccn1 ZINC000788084562 1276034379 /nfs/dbraw/zinc/03/43/79/1276034379.db2.gz SDSODCYLFNKOFG-OAHLLOKOSA-N 1 2 331.391 2.690 10 10 EFCELO CC(=O)C(=O)COC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000808536876 1281768322 /nfs/dbraw/zinc/76/83/22/1281768322.db2.gz XOIUZHRAQPELCD-UHFFFAOYSA-N 1 2 339.391 2.634 10 10 EFCELO CC(=O)C(=O)COC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000808536876 1281768331 /nfs/dbraw/zinc/76/83/31/1281768331.db2.gz XOIUZHRAQPELCD-UHFFFAOYSA-N 1 2 339.391 2.634 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000715804917 1284367449 /nfs/dbraw/zinc/36/74/49/1284367449.db2.gz SJAUILZDQNDPQZ-ONGXEEELSA-N 1 2 330.197 2.762 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000715804917 1284367455 /nfs/dbraw/zinc/36/74/55/1284367455.db2.gz SJAUILZDQNDPQZ-ONGXEEELSA-N 1 2 330.197 2.762 10 10 EFCELO O=S1(=O)C[C@H](C[NH2+]Cc2cccc(Cl)c2O)c2ccccc21 ZINC000824516177 1289679025 /nfs/dbraw/zinc/67/90/25/1289679025.db2.gz KAFZHVJLZHJPKX-LBPRGKRZSA-N 1 2 337.828 2.706 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1O ZINC000880047590 1292346503 /nfs/dbraw/zinc/34/65/03/1292346503.db2.gz VDXZAQVFYGWNGC-ZDUSSCGKSA-N 1 2 335.297 2.887 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1O ZINC000880047590 1292346509 /nfs/dbraw/zinc/34/65/09/1292346509.db2.gz VDXZAQVFYGWNGC-ZDUSSCGKSA-N 1 2 335.297 2.887 10 10 EFCELO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](CC(F)(F)F)O1 ZINC000853612580 1300192710 /nfs/dbraw/zinc/19/27/10/1300192710.db2.gz AXGLIBLGQPLOKB-MWLCHTKSSA-N 1 2 333.306 2.663 10 10 EFCELO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](CC(F)(F)F)O1 ZINC000853612580 1300192719 /nfs/dbraw/zinc/19/27/19/1300192719.db2.gz AXGLIBLGQPLOKB-MWLCHTKSSA-N 1 2 333.306 2.663 10 10 EFCELO COc1ccc(N2CC[C@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000853759244 1300262118 /nfs/dbraw/zinc/26/21/18/1300262118.db2.gz QBKWHSXCRPXITP-HNNXBMFYSA-N 1 2 339.443 2.776 10 10 EFCELO COc1ccc(N2CC[C@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000853759244 1300262129 /nfs/dbraw/zinc/26/21/29/1300262129.db2.gz QBKWHSXCRPXITP-HNNXBMFYSA-N 1 2 339.443 2.776 10 10 EFCELO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)c(F)cc1O ZINC000866442485 1303641779 /nfs/dbraw/zinc/64/17/79/1303641779.db2.gz MWTLDOASQRAKMJ-QUBYGPBYSA-N 1 2 342.155 2.961 10 10 EFCELO C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1O ZINC000866531344 1303674943 /nfs/dbraw/zinc/67/49/43/1303674943.db2.gz GWZYXRDDINGTED-DGCLKSJQSA-N 1 2 327.371 2.907 10 10 EFCELO CCOC(=O)CN1C(=O)/C(=C\c2c[nH+]cn2C(C)C)c2ccccc21 ZINC000901486546 1310559031 /nfs/dbraw/zinc/55/90/31/1310559031.db2.gz LLXZUUUVOADOOE-SXGWCWSVSA-N 1 2 339.395 2.914 10 10 EFCELO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)cc(F)c1O ZINC000802312205 1311552525 /nfs/dbraw/zinc/55/25/25/1311552525.db2.gz FFHIYPBOCBCZJG-PRXAMGSTSA-N 1 2 341.398 2.889 10 10 EFCELO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)cc(F)c1O ZINC000802312204 1311552670 /nfs/dbraw/zinc/55/26/70/1311552670.db2.gz FFHIYPBOCBCZJG-NVGCLXPQSA-N 1 2 341.398 2.889 10 10 EFCELO COc1ccc(C[NH2+]C2(CNC(=O)C(F)C(F)(F)F)CC2)cc1C ZINC001277061110 1311559214 /nfs/dbraw/zinc/55/92/14/1311559214.db2.gz YFSUTDSUECMWIB-CYBMUJFWSA-N 1 2 348.340 2.642 10 10 EFCELO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)cc1C ZINC001277061110 1311559217 /nfs/dbraw/zinc/55/92/17/1311559217.db2.gz YFSUTDSUECMWIB-CYBMUJFWSA-N 1 2 348.340 2.642 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000802659908 1311894873 /nfs/dbraw/zinc/89/48/73/1311894873.db2.gz PGUHHKIOLMJBLN-BZNIZROVSA-N 1 2 343.826 2.842 10 10 EFCELO COC(=O)c1ccccc1C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000179891406 1314718589 /nfs/dbraw/zinc/71/85/89/1314718589.db2.gz RBOPGUNEZITDOX-UHFFFAOYSA-N 1 2 340.423 2.804 10 10 EFCELO COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000827487964 1315988770 /nfs/dbraw/zinc/98/87/70/1315988770.db2.gz AUPLOJSSFSCEKL-INIZCTEOSA-N 1 2 327.808 2.508 10 10 EFCELO COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000827487964 1315988775 /nfs/dbraw/zinc/98/87/75/1315988775.db2.gz AUPLOJSSFSCEKL-INIZCTEOSA-N 1 2 327.808 2.508 10 10 EFCELO Oc1cc(Br)ccc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC001350626595 1333104349 /nfs/dbraw/zinc/10/43/49/1333104349.db2.gz MNOXVNBMTFNBID-AWEZNQCLSA-N 1 2 344.274 2.863 10 10 EFCELO Oc1cc(Br)ccc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC001350626595 1333104351 /nfs/dbraw/zinc/10/43/51/1333104351.db2.gz MNOXVNBMTFNBID-AWEZNQCLSA-N 1 2 344.274 2.863 10 10 EFCELO C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1O ZINC000848559798 1334795222 /nfs/dbraw/zinc/79/52/22/1334795222.db2.gz ZVPVMLAYISORER-WUHRBBMRSA-N 1 2 328.403 2.819 10 10 EFCELO CN(C)c1ccc(C=CC[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848561998 1334796355 /nfs/dbraw/zinc/79/63/55/1334796355.db2.gz GQSTZGACPBKDOZ-LLCTXKFZSA-N 1 2 327.432 2.525 10 10 EFCELO Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001464962934 1396635069 /nfs/dbraw/zinc/63/50/69/1396635069.db2.gz SKLANOGJKALEGE-UHFFFAOYSA-N 1 2 326.444 2.813 10 10 EFCELO COc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000068678577 714532112 /nfs/dbraw/zinc/53/21/12/714532112.db2.gz HQRBWCSKZDXZJU-QFBILLFUSA-N 1 2 345.487 2.512 10 10 EFCELO COC[C@@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)C[C@@H](C)O1 ZINC000784669278 719391242 /nfs/dbraw/zinc/39/12/42/719391242.db2.gz ZGMPFHHJLUBJFQ-YPMHNXCESA-N 1 2 344.249 2.699 10 10 EFCELO COC[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@@H](C)O1 ZINC000784669278 719391245 /nfs/dbraw/zinc/39/12/45/719391245.db2.gz ZGMPFHHJLUBJFQ-YPMHNXCESA-N 1 2 344.249 2.699 10 10 EFCELO CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000894003547 720217739 /nfs/dbraw/zinc/21/77/39/720217739.db2.gz NJAHDBSATVATNU-CYBMUJFWSA-N 1 2 343.240 2.962 10 10 EFCELO CN(Cc1cc(Br)cc(F)c1O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000894003547 720217746 /nfs/dbraw/zinc/21/77/46/720217746.db2.gz NJAHDBSATVATNU-CYBMUJFWSA-N 1 2 343.240 2.962 10 10 EFCELO COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(C)cc[nH+]c1N ZINC000894015099 720227888 /nfs/dbraw/zinc/22/78/88/720227888.db2.gz YHNPHNJPHURGSK-UHFFFAOYSA-N 1 2 349.818 2.506 10 10 EFCELO CCC1(CC)C[N@H+](Cc2cc(OC)c(OC)cc2O)CC[S@@]1=O ZINC000187563524 720512364 /nfs/dbraw/zinc/51/23/64/720512364.db2.gz UNECYKUINZIGSO-QHCPKHFHSA-N 1 2 341.473 2.533 10 10 EFCELO CCC1(CC)C[N@@H+](Cc2cc(OC)c(OC)cc2O)CC[S@@]1=O ZINC000187563524 720512369 /nfs/dbraw/zinc/51/23/69/720512369.db2.gz UNECYKUINZIGSO-QHCPKHFHSA-N 1 2 341.473 2.533 10 10 EFCELO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000895351829 724062983 /nfs/dbraw/zinc/06/29/83/724062983.db2.gz YPIOMEYSHBZQDF-PWSUYJOCSA-N 1 2 346.196 2.725 10 10 EFCELO COc1ccc(N2CC[NH+](CC(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000068678571 729740877 /nfs/dbraw/zinc/74/08/77/729740877.db2.gz HQRBWCSKZDXZJU-LPHOPBHVSA-N 1 2 345.487 2.512 10 10 EFCELO CN(CCCNC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc[nH+]1 ZINC001650905896 1093506911 /nfs/dbraw/zinc/50/69/11/1093506911.db2.gz LHPDSRLKMTXUFM-UHFFFAOYSA-N 1 2 340.387 2.500 10 10 EFCELO C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624629754 1099712888 /nfs/dbraw/zinc/71/28/88/1099712888.db2.gz BJCZOVDDCWRSDD-OAHLLOKOSA-N 1 2 326.444 2.847 10 10 EFCELO C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624629754 1099712895 /nfs/dbraw/zinc/71/28/95/1099712895.db2.gz BJCZOVDDCWRSDD-OAHLLOKOSA-N 1 2 326.444 2.847 10 10 EFCELO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1ccc(O)cc1O ZINC001630301522 1100291211 /nfs/dbraw/zinc/29/12/11/1100291211.db2.gz DLXAWPZNAHIALM-INIZCTEOSA-N 1 2 337.379 2.659 10 10 EFCELO O=C(CCc1c[nH]c[nH+]1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001641971962 1101180123 /nfs/dbraw/zinc/18/01/23/1101180123.db2.gz JENBPCLFRPPDBJ-UHFFFAOYSA-N 1 2 332.367 2.691 10 10 EFCELO O=C(CCc1c[nH+]c[nH]1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001641971962 1101180125 /nfs/dbraw/zinc/18/01/25/1101180125.db2.gz JENBPCLFRPPDBJ-UHFFFAOYSA-N 1 2 332.367 2.691 10 10 EFCELO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000841890753 1105843428 /nfs/dbraw/zinc/84/34/28/1105843428.db2.gz FHJKAILVKYIYJR-WDEREUQCSA-N 1 2 333.259 2.586 10 10 EFCELO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000841890753 1105843431 /nfs/dbraw/zinc/84/34/31/1105843431.db2.gz FHJKAILVKYIYJR-WDEREUQCSA-N 1 2 333.259 2.586 10 10 EFCELO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)c(C)n1-c1ccccn1 ZINC000898491531 1108973531 /nfs/dbraw/zinc/97/35/31/1108973531.db2.gz ZLISAEJDXZYJOI-MRXNPFEDSA-N 1 2 344.434 2.653 10 10 EFCELO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)c(C)n1-c1ccccn1 ZINC000898491531 1108973535 /nfs/dbraw/zinc/97/35/35/1108973535.db2.gz ZLISAEJDXZYJOI-MRXNPFEDSA-N 1 2 344.434 2.653 10 10 EFCELO CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)n1cc[nH+]c1 ZINC000898910785 1109131111 /nfs/dbraw/zinc/13/11/11/1109131111.db2.gz WLAFEMZVJSZSLE-UHFFFAOYSA-N 1 2 331.397 2.674 10 10 EFCELO CCc1nc(C2([NH2+]Cc3cc(OC)c(OC)cc3O)CCCC2)no1 ZINC000160516806 529731483 /nfs/dbraw/zinc/73/14/83/529731483.db2.gz SRZFIVJPLSDNGU-UHFFFAOYSA-N 1 2 347.415 2.914 10 10 EFCELO CC(C)c1nc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000195299723 240215208 /nfs/dbraw/zinc/21/52/08/240215208.db2.gz VZGFJSQWWGFZKF-GFCCVEGCSA-N 1 2 331.372 2.964 10 10 EFCELO CC(C)c1nc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000195299723 240215217 /nfs/dbraw/zinc/21/52/17/240215217.db2.gz VZGFJSQWWGFZKF-GFCCVEGCSA-N 1 2 331.372 2.964 10 10 EFCELO C[C@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C ZINC000245809725 240261056 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CCOc1cccc(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000375262159 476744821 /nfs/dbraw/zinc/74/48/21/476744821.db2.gz OKFPIVBRUNMDAN-INIZCTEOSA-N 1 2 345.443 2.715 10 10 EFCELO CCOc1cccc(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000375262159 476744830 /nfs/dbraw/zinc/74/48/30/476744830.db2.gz OKFPIVBRUNMDAN-INIZCTEOSA-N 1 2 345.443 2.715 10 10 EFCELO Fc1cc(CNc2cc[nH+]c(C3CC3)n2)ccc1N1CCOCC1 ZINC000110242957 534442866 /nfs/dbraw/zinc/44/28/66/534442866.db2.gz KVASCWWYWNAUQO-UHFFFAOYSA-N 1 2 328.391 2.942 10 10 EFCELO COC(=O)C[N@H+](CC[C@@H]1CCCCO1)Cc1cc(Cl)ccc1O ZINC000754067101 575383633 /nfs/dbraw/zinc/38/36/33/575383633.db2.gz NLAKSJCRWVPCIF-HNNXBMFYSA-N 1 2 341.835 2.980 10 10 EFCELO COC(=O)C[N@@H+](CC[C@@H]1CCCCO1)Cc1cc(Cl)ccc1O ZINC000754067101 575383636 /nfs/dbraw/zinc/38/36/36/575383636.db2.gz NLAKSJCRWVPCIF-HNNXBMFYSA-N 1 2 341.835 2.980 10 10 EFCELO COC(=O)C[N@H+](CC[C@H]1CCCCO1)Cc1cc(Cl)ccc1O ZINC000754067110 575383707 /nfs/dbraw/zinc/38/37/07/575383707.db2.gz 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ZINC000768464288 577276170 /nfs/dbraw/zinc/27/61/70/577276170.db2.gz POTRWRQTMMKASC-GFCCVEGCSA-N 1 2 331.416 2.993 10 10 EFCELO C[N@@H+](Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468256 577364822 /nfs/dbraw/zinc/36/48/22/577364822.db2.gz FUOROXADYDOWCL-VIFPVBQESA-N 1 2 338.256 2.566 10 10 EFCELO C[N@H+](Cc1cc(Cl)cc(Cl)c1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000769468256 577364823 /nfs/dbraw/zinc/36/48/23/577364823.db2.gz FUOROXADYDOWCL-VIFPVBQESA-N 1 2 338.256 2.566 10 10 EFCELO COc1ccc([NH+]2CCC(NC(=O)NCCOC(C)(C)C)CC2)cc1 ZINC000726614373 577375776 /nfs/dbraw/zinc/37/57/76/577375776.db2.gz RJGXCJDNPSFBQJ-UHFFFAOYSA-N 1 2 349.475 2.778 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000771632247 581228890 /nfs/dbraw/zinc/22/88/90/581228890.db2.gz FJXSBKBILCLBPC-GOSISDBHSA-N 1 2 341.455 2.805 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000771632247 581228892 /nfs/dbraw/zinc/22/88/92/581228892.db2.gz FJXSBKBILCLBPC-GOSISDBHSA-N 1 2 341.455 2.805 10 10 EFCELO C[C@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc(N(C)C)cc1 ZINC000773197971 581404227 /nfs/dbraw/zinc/40/42/27/581404227.db2.gz KPBDJRRCXRLVQC-AWEZNQCLSA-N 1 2 341.459 2.774 10 10 EFCELO C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)c1ccc(N(C)C)cc1 ZINC000773197972 581404233 /nfs/dbraw/zinc/40/42/33/581404233.db2.gz KPBDJRRCXRLVQC-CQSZACIVSA-N 1 2 341.459 2.774 10 10 EFCELO CCc1nnc([C@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000851732815 1251230384 /nfs/dbraw/zinc/23/03/84/1251230384.db2.gz CVOOEYWQSTTXTG-AWEZNQCLSA-N 1 2 329.448 2.649 10 10 EFCELO CCc1nnc([C@H](C)[N@H+]2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000851732815 1251230395 /nfs/dbraw/zinc/23/03/95/1251230395.db2.gz CVOOEYWQSTTXTG-AWEZNQCLSA-N 1 2 329.448 2.649 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824654311 1278218778 /nfs/dbraw/zinc/21/87/78/1278218778.db2.gz MUCHBPVBXPTYHO-PSOPSSQASA-N 1 2 329.799 2.547 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824654311 1278218790 /nfs/dbraw/zinc/21/87/90/1278218790.db2.gz MUCHBPVBXPTYHO-PSOPSSQASA-N 1 2 329.799 2.547 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824654313 1278220059 /nfs/dbraw/zinc/22/00/59/1278220059.db2.gz MUCHBPVBXPTYHO-YVLXSGLVSA-N 1 2 329.799 2.547 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824654313 1278220077 /nfs/dbraw/zinc/22/00/77/1278220077.db2.gz MUCHBPVBXPTYHO-YVLXSGLVSA-N 1 2 329.799 2.547 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824654312 1278220206 /nfs/dbraw/zinc/22/02/06/1278220206.db2.gz MUCHBPVBXPTYHO-WDBKCZKBSA-N 1 2 329.799 2.547 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824654312 1278220223 /nfs/dbraw/zinc/22/02/23/1278220223.db2.gz MUCHBPVBXPTYHO-WDBKCZKBSA-N 1 2 329.799 2.547 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124739 1278418996 /nfs/dbraw/zinc/41/89/96/1278418996.db2.gz XCOKPFCJYLCUAX-JMCQJSRRSA-N 1 2 327.705 2.930 10 10 EFCELO Cn1cc[nH+]c1C[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000743755926 1270739742 /nfs/dbraw/zinc/73/97/42/1270739742.db2.gz AMZKLJAKFASWRJ-AWEZNQCLSA-N 1 2 327.409 2.901 10 10 EFCELO CC[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(Cl)c1O ZINC000806145502 1280990035 /nfs/dbraw/zinc/99/00/35/1280990035.db2.gz KQJRGUNEDAHISH-AWEZNQCLSA-N 1 2 346.880 2.512 10 10 EFCELO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809769546 1282431264 /nfs/dbraw/zinc/43/12/64/1282431264.db2.gz ODFFTFDMRQIYGS-BHDSKKPTSA-N 1 2 348.340 2.809 10 10 EFCELO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000809769546 1282431268 /nfs/dbraw/zinc/43/12/68/1282431268.db2.gz ODFFTFDMRQIYGS-BHDSKKPTSA-N 1 2 348.340 2.809 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000816596879 1288219780 /nfs/dbraw/zinc/21/97/80/1288219780.db2.gz VLTFSTWJOYMOTD-BLLLJJGKSA-N 1 2 329.799 2.955 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000816596879 1288219785 /nfs/dbraw/zinc/21/97/85/1288219785.db2.gz VLTFSTWJOYMOTD-BLLLJJGKSA-N 1 2 329.799 2.955 10 10 EFCELO COc1c(O)c(C[N@@H+]2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667385 1288236411 /nfs/dbraw/zinc/23/64/11/1288236411.db2.gz LTANBGYIZJGITC-AWEZNQCLSA-N 1 2 336.388 2.700 10 10 EFCELO COc1c(O)c(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667385 1288236416 /nfs/dbraw/zinc/23/64/16/1288236416.db2.gz LTANBGYIZJGITC-AWEZNQCLSA-N 1 2 336.388 2.700 10 10 EFCELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001135800650 1288391462 /nfs/dbraw/zinc/39/14/62/1288391462.db2.gz KRWPRMGCVTZMOP-KRWDZBQOSA-N 1 2 338.455 2.704 10 10 EFCELO COc1ccc(N2CCC[N@H+](Cc3nn(C)cc3Cl)CC2)cc1 ZINC000817274943 1288519926 /nfs/dbraw/zinc/51/99/26/1288519926.db2.gz UFMUXKHWOIQECZ-UHFFFAOYSA-N 1 2 334.851 2.794 10 10 EFCELO COc1ccc(N2CCC[N@@H+](Cc3nn(C)cc3Cl)CC2)cc1 ZINC000817274943 1288519928 /nfs/dbraw/zinc/51/99/28/1288519928.db2.gz UFMUXKHWOIQECZ-UHFFFAOYSA-N 1 2 334.851 2.794 10 10 EFCELO C[C@H]([NH2+]CC1=NS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000851951671 1299481977 /nfs/dbraw/zinc/48/19/77/1299481977.db2.gz ZQSGSVODKAFHOR-ZDUSSCGKSA-N 1 2 343.452 2.595 10 10 EFCELO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cscn1 ZINC000852417425 1299698643 /nfs/dbraw/zinc/69/86/43/1299698643.db2.gz LRELJMZSSJBQRU-ZDUSSCGKSA-N 1 2 332.473 2.518 10 10 EFCELO Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2cc3c(cc2O)CCC3)c1 ZINC000853600618 1300186088 /nfs/dbraw/zinc/18/60/88/1300186088.db2.gz FJNQRPPUSPWGCP-HXUWFJFHSA-N 1 2 336.435 2.862 10 10 EFCELO Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2cc3c(cc2O)CCC3)c1 ZINC000853600618 1300186094 /nfs/dbraw/zinc/18/60/94/1300186094.db2.gz FJNQRPPUSPWGCP-HXUWFJFHSA-N 1 2 336.435 2.862 10 10 EFCELO C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cc(Br)c(F)cc1[O-] ZINC000854227076 1300478635 /nfs/dbraw/zinc/47/86/35/1300478635.db2.gz LGJDNPXJVJEWNX-NQTXRORDSA-N 1 2 329.213 2.696 10 10 EFCELO C[C@@](CO)([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(O)c1 ZINC000862432470 1302383467 /nfs/dbraw/zinc/38/34/67/1302383467.db2.gz FGOJUJHPXQOIDT-INIZCTEOSA-N 1 2 325.767 2.888 10 10 EFCELO C[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)ccc1O ZINC000866441544 1303641251 /nfs/dbraw/zinc/64/12/51/1303641251.db2.gz MPPZUWOYQSDURA-JTQLQIEISA-N 1 2 336.823 2.909 10 10 EFCELO C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)cc(F)c1O ZINC000866441975 1303641770 /nfs/dbraw/zinc/64/17/70/1303641770.db2.gz BFMPMFPZGJCXDW-WKEGUHRASA-N 1 2 342.155 2.961 10 10 EFCELO Cc1cccn2cc(CCNC(=O)N[C@@H](C)c3ccccc3O)[nH+]c12 ZINC000868330630 1304247931 /nfs/dbraw/zinc/24/79/31/1304247931.db2.gz IQBNPEYJTPTCLS-AWEZNQCLSA-N 1 2 338.411 2.951 10 10 EFCELO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc(F)cc(F)c1O ZINC000802312203 1311552579 /nfs/dbraw/zinc/55/25/79/1311552579.db2.gz FFHIYPBOCBCZJG-JKDFXYPNSA-N 1 2 341.398 2.889 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000903025830 1312291113 /nfs/dbraw/zinc/29/11/13/1312291113.db2.gz FNZPDPCKYGUION-AWEZNQCLSA-N 1 2 346.818 2.725 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c1O ZINC000903025830 1312291117 /nfs/dbraw/zinc/29/11/17/1312291117.db2.gz FNZPDPCKYGUION-AWEZNQCLSA-N 1 2 346.818 2.725 10 10 EFCELO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)c(F)cc1O ZINC000903260648 1312516533 /nfs/dbraw/zinc/51/65/33/1312516533.db2.gz PXXJLWKULPYGBF-UEJVZZJDSA-N 1 2 345.212 2.598 10 10 EFCELO COc1c(O)c(C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955523 1316256427 /nfs/dbraw/zinc/25/64/27/1316256427.db2.gz JBYCFXVIHORKSO-PSLIRLAXSA-N 1 2 346.330 2.554 10 10 EFCELO COc1c(O)c(C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955523 1316256431 /nfs/dbraw/zinc/25/64/31/1316256431.db2.gz JBYCFXVIHORKSO-PSLIRLAXSA-N 1 2 346.330 2.554 10 10 EFCELO C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001306755028 1324719535 /nfs/dbraw/zinc/71/95/35/1324719535.db2.gz QONPNMUKGYQJBA-NSHDSACASA-N 1 2 341.342 2.914 10 10 EFCELO Oc1cccc(O)c1CNc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC001307218451 1324752076 /nfs/dbraw/zinc/75/20/76/1324752076.db2.gz IPAFZUYELGGXQV-UHFFFAOYSA-N 1 2 333.351 2.839 10 10 EFCELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCn1cc[nH+]c1 ZINC001351164655 1333188842 /nfs/dbraw/zinc/18/88/42/1333188842.db2.gz XIYZEMXAUQGPLZ-UHFFFAOYSA-N 1 2 326.444 2.922 10 10 EFCELO C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001454871753 1394331559 /nfs/dbraw/zinc/33/15/59/1394331559.db2.gz BRWGBQHOAVLMEZ-INIZCTEOSA-N 1 2 337.383 2.766 10 10 EFCELO C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001454871753 1394331565 /nfs/dbraw/zinc/33/15/65/1394331565.db2.gz BRWGBQHOAVLMEZ-INIZCTEOSA-N 1 2 337.383 2.766 10 10 EFCELO CN(Cc1cc(Br)cc(F)c1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000894003549 720218164 /nfs/dbraw/zinc/21/81/64/720218164.db2.gz NJAHDBSATVATNU-ZDUSSCGKSA-N 1 2 343.240 2.962 10 10 EFCELO CN(Cc1cc(Br)cc(F)c1O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000894003549 720218169 /nfs/dbraw/zinc/21/81/69/720218169.db2.gz NJAHDBSATVATNU-ZDUSSCGKSA-N 1 2 343.240 2.962 10 10 EFCELO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000894881019 722937265 /nfs/dbraw/zinc/93/72/65/722937265.db2.gz KHRMNZXBEHLZDJ-ZANVPECISA-N 1 2 332.213 2.887 10 10 EFCELO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000894881019 722937266 /nfs/dbraw/zinc/93/72/66/722937266.db2.gz KHRMNZXBEHLZDJ-ZANVPECISA-N 1 2 332.213 2.887 10 10 EFCELO COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccc(F)c(F)c1O ZINC000895634282 724228409 /nfs/dbraw/zinc/22/84/09/724228409.db2.gz KUTGWUZVQQAJLK-SFHVURJKSA-N 1 2 335.350 2.603 10 10 EFCELO Oc1cccc(Br)c1C[NH+]1CCN(CC(F)F)CC1 ZINC000862235811 725453260 /nfs/dbraw/zinc/45/32/60/725453260.db2.gz ZTUMIPJSKDELSL-UHFFFAOYSA-N 1 2 335.192 2.537 10 10 EFCELO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)c1 ZINC000912584446 727727101 /nfs/dbraw/zinc/72/71/01/727727101.db2.gz IDIOHFNMOXVSSM-GOSISDBHSA-N 1 2 348.406 2.978 10 10 EFCELO COCC[N@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000917410303 727804593 /nfs/dbraw/zinc/80/45/93/727804593.db2.gz LJOZNCZUPIUFBO-UHFFFAOYSA-N 1 2 344.411 2.584 10 10 EFCELO COCC[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000917410303 727804595 /nfs/dbraw/zinc/80/45/95/727804595.db2.gz LJOZNCZUPIUFBO-UHFFFAOYSA-N 1 2 344.411 2.584 10 10 EFCELO C[C@@H]1C[C@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708089173 1092972105 /nfs/dbraw/zinc/97/21/05/1092972105.db2.gz KKBNKKQOCHHGTL-KCJUWKMLSA-N 1 2 333.657 2.977 10 10 EFCELO C[C@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708089169 1092972051 /nfs/dbraw/zinc/97/20/51/1092972051.db2.gz KKBNKKQOCHHGTL-GZMMTYOYSA-N 1 2 333.657 2.977 10 10 EFCELO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC001628174530 1100071212 /nfs/dbraw/zinc/07/12/12/1100071212.db2.gz GHRYBCBCSFUOQV-AWEZNQCLSA-N 1 2 326.360 2.523 10 10 EFCELO CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631062365 1100366082 /nfs/dbraw/zinc/36/60/82/1100366082.db2.gz RKWLAEWJKVFSET-AWEZNQCLSA-N 1 2 342.403 2.890 10 10 EFCELO O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001636678025 1100732304 /nfs/dbraw/zinc/73/23/04/1100732304.db2.gz ZTBGUJJTDNBLDW-UGAXZCSASA-N 1 2 349.390 2.865 10 10 EFCELO C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273215 1100845796 /nfs/dbraw/zinc/84/57/96/1100845796.db2.gz RUQDBMTWVXLRQQ-CYBMUJFWSA-N 1 2 346.394 2.937 10 10 EFCELO C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273215 1100845802 /nfs/dbraw/zinc/84/58/02/1100845802.db2.gz RUQDBMTWVXLRQQ-CYBMUJFWSA-N 1 2 346.394 2.937 10 10 EFCELO COc1ccc(CNC(=O)c2c[nH+]ccc2Nc2ccccc2)c(O)c1 ZINC001639455973 1100951875 /nfs/dbraw/zinc/95/18/75/1100951875.db2.gz RGZFXUIOCRGBLF-UHFFFAOYSA-N 1 2 349.390 2.891 10 10 EFCELO Cc1nc([C@@](C)([NH2+]Cc2ccc(N3CCOCC3)cc2)C2CC2)no1 ZINC001643212475 1101280356 /nfs/dbraw/zinc/28/03/56/1101280356.db2.gz GNDNJMYCZJXFMO-IBGZPJMESA-N 1 2 342.443 2.630 10 10 EFCELO CC[C@H](C)[C@H](C(=O)OC)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068447 1102317850 /nfs/dbraw/zinc/31/78/50/1102317850.db2.gz NJZHENJMLAOEQI-SUMWQHHRSA-N 1 2 338.423 2.544 10 10 EFCELO CC[C@H](C)[C@@H](C(=O)OC)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068446 1102318530 /nfs/dbraw/zinc/31/85/30/1102318530.db2.gz NJZHENJMLAOEQI-GUYCJALGSA-N 1 2 338.423 2.544 10 10 EFCELO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000841890749 1105843389 /nfs/dbraw/zinc/84/33/89/1105843389.db2.gz FHJKAILVKYIYJR-QWRGUYRKSA-N 1 2 333.259 2.586 10 10 EFCELO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000841890749 1105843398 /nfs/dbraw/zinc/84/33/98/1105843398.db2.gz FHJKAILVKYIYJR-QWRGUYRKSA-N 1 2 333.259 2.586 10 10 EFCELO COC(=O)C=C1[NH2+]N(c2ccccc2)C([O-])=C1C(C)=[NH+]C(C)(C)C ZINC000101833953 219166289 /nfs/dbraw/zinc/16/62/89/219166289.db2.gz MNMGYUNCINCCNK-FOWTUZBSSA-N 1 2 329.400 2.614 10 10 EFCELO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000194938512 240189047 /nfs/dbraw/zinc/18/90/47/240189047.db2.gz FPDRAWMFIROHKC-LBPRGKRZSA-N 1 2 336.823 2.874 10 10 EFCELO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC000194938492 240186523 /nfs/dbraw/zinc/18/65/23/240186523.db2.gz FPDRAWMFIROHKC-GFCCVEGCSA-N 1 2 336.823 2.874 10 10 EFCELO CC(C)c1nc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000195299716 240215776 /nfs/dbraw/zinc/21/57/76/240215776.db2.gz VZGFJSQWWGFZKF-LBPRGKRZSA-N 1 2 331.372 2.964 10 10 EFCELO CC(C)c1nc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000195299716 240215780 /nfs/dbraw/zinc/21/57/80/240215780.db2.gz VZGFJSQWWGFZKF-LBPRGKRZSA-N 1 2 331.372 2.964 10 10 EFCELO CCOC(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294253393 241039177 /nfs/dbraw/zinc/03/91/77/241039177.db2.gz NLQIXBARMSDZGT-UHFFFAOYSA-N 1 2 330.787 2.895 10 10 EFCELO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521292 241054910 /nfs/dbraw/zinc/05/49/10/241054910.db2.gz ZYVDWZGBJZOOKD-DZGCQCFKSA-N 1 2 349.855 2.972 10 10 EFCELO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521292 241054914 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CC(=O)Nc1cccc2c1CC[N@H+](Cc1cc([N+](=O)[O-])ccc1O)C2 ZINC000069869336 472454216 /nfs/dbraw/zinc/45/42/16/472454216.db2.gz NJUSVTICXBWYJW-UHFFFAOYSA-N 1 2 341.367 2.817 10 10 EFCELO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1O)C2 ZINC000069869336 472454221 /nfs/dbraw/zinc/45/42/21/472454221.db2.gz NJUSVTICXBWYJW-UHFFFAOYSA-N 1 2 341.367 2.817 10 10 EFCELO COc1ccc([NH+]2CCC(NC(=O)NCC[C@@H]3CCCO3)CC2)cc1 ZINC000065539022 472971451 /nfs/dbraw/zinc/97/14/51/472971451.db2.gz AUVIVJMGVIEGQR-SFHVURJKSA-N 1 2 347.459 2.532 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(O)ccc(Cl)c3F)[C@@H]2C1 ZINC000191451120 473541071 /nfs/dbraw/zinc/54/10/71/473541071.db2.gz MYCWEHHVSYCKEL-YVLXSGLVSA-N 1 2 329.799 2.953 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(O)ccc(Cl)c3F)[C@@H]2C1 ZINC000191451120 473541075 /nfs/dbraw/zinc/54/10/75/473541075.db2.gz MYCWEHHVSYCKEL-YVLXSGLVSA-N 1 2 329.799 2.953 10 10 EFCELO Oc1c(Cl)cccc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189913241 474504792 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Cc1ccoc1C(=O)NCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293674977 475046871 /nfs/dbraw/zinc/04/68/71/475046871.db2.gz QYEFZLLLWGNBHG-UHFFFAOYSA-N 1 2 340.782 2.996 10 10 EFCELO Cc1nccc(N2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)n1 ZINC000293683530 475047716 /nfs/dbraw/zinc/04/77/16/475047716.db2.gz RPMGJIODCCFHMC-UHFFFAOYSA-N 1 2 336.798 2.605 10 10 EFCELO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521293 475127630 /nfs/dbraw/zinc/12/76/30/475127630.db2.gz ZYVDWZGBJZOOKD-HIFRSBDPSA-N 1 2 349.855 2.972 10 10 EFCELO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521293 475127639 /nfs/dbraw/zinc/12/76/39/475127639.db2.gz ZYVDWZGBJZOOKD-HIFRSBDPSA-N 1 2 349.855 2.972 10 10 EFCELO COc1c(O)c(C[N@H+]2CCCC[C@H]2c2ccnn2C)ccc1[N+](=O)[O-] ZINC000281296147 475157878 /nfs/dbraw/zinc/15/78/78/475157878.db2.gz PJBNPBDHOCXROO-AWEZNQCLSA-N 1 2 346.387 2.770 10 10 EFCELO COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000370367987 476776576 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Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000754730672 575479218 /nfs/dbraw/zinc/47/92/18/575479218.db2.gz VNYLPMJROZVREE-OAHLLOKOSA-N 1 2 329.400 2.843 10 10 EFCELO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 ZINC000754730672 575479220 /nfs/dbraw/zinc/47/92/20/575479220.db2.gz VNYLPMJROZVREE-OAHLLOKOSA-N 1 2 329.400 2.843 10 10 EFCELO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000754729765 575479267 /nfs/dbraw/zinc/47/92/67/575479267.db2.gz GAJARLQSGZIDFZ-HNNXBMFYSA-N 1 2 345.399 2.543 10 10 EFCELO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000754729765 575479269 /nfs/dbraw/zinc/47/92/69/575479269.db2.gz GAJARLQSGZIDFZ-HNNXBMFYSA-N 1 2 345.399 2.543 10 10 EFCELO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1O ZINC000756351640 575721584 /nfs/dbraw/zinc/72/15/84/575721584.db2.gz MMRFWQUCCJCHNG-WCQYABFASA-N 1 2 330.340 2.791 10 10 EFCELO C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756392020 575729623 /nfs/dbraw/zinc/72/96/23/575729623.db2.gz GRLKSNMFCOEWJB-GFCCVEGCSA-N 1 2 339.355 2.732 10 10 EFCELO C[C@H]([NH2+][C@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1O ZINC000756508260 575751191 /nfs/dbraw/zinc/75/11/91/575751191.db2.gz GWAWHPFBJWMUIC-CPCISQLKSA-N 1 2 347.640 2.737 10 10 EFCELO CC[S@@](=O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756573354 575764455 /nfs/dbraw/zinc/76/44/55/575764455.db2.gz AMZZVTSMXJOGRT-DCXZOGHSSA-N 1 2 338.242 2.713 10 10 EFCELO C[C@@H]([NH2+]CCCn1ccnn1)c1cc(Br)c(F)cc1O ZINC000757658733 575848187 /nfs/dbraw/zinc/84/81/87/575848187.db2.gz SSMMSANKVBNRGO-SECBINFHSA-N 1 2 343.200 2.626 10 10 EFCELO C[C@@H](C[N@H+](Cc1ccco1)Cc1ccccc1O)CS(C)(=O)=O ZINC000757843581 575854357 /nfs/dbraw/zinc/85/43/57/575854357.db2.gz HGDYMSDAAOYITC-AWEZNQCLSA-N 1 2 337.441 2.668 10 10 EFCELO C[C@@H](C[N@@H+](Cc1ccco1)Cc1ccccc1O)CS(C)(=O)=O ZINC000757843581 575854358 /nfs/dbraw/zinc/85/43/58/575854358.db2.gz HGDYMSDAAOYITC-AWEZNQCLSA-N 1 2 337.441 2.668 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763488684 576379096 /nfs/dbraw/zinc/37/90/96/576379096.db2.gz CYURBNHKYKFROO-JEOXALJRSA-N 1 2 346.290 2.806 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C)[S@](=O)CC2)c1 ZINC000763488684 576379098 /nfs/dbraw/zinc/37/90/98/576379098.db2.gz CYURBNHKYKFROO-JEOXALJRSA-N 1 2 346.290 2.806 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763488687 576379103 /nfs/dbraw/zinc/37/91/03/576379103.db2.gz CYURBNHKYKFROO-NSPYISDASA-N 1 2 346.290 2.806 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c1 ZINC000763488687 576379105 /nfs/dbraw/zinc/37/91/05/576379105.db2.gz CYURBNHKYKFROO-NSPYISDASA-N 1 2 346.290 2.806 10 10 EFCELO COc1cc(C)cc(C[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1O ZINC000764951343 576527536 /nfs/dbraw/zinc/52/75/36/576527536.db2.gz PPALKHWWFAZPAG-UHFFFAOYSA-N 1 2 344.386 2.697 10 10 EFCELO COc1cc(C)cc(C[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1O ZINC000764951343 576527538 /nfs/dbraw/zinc/52/75/38/576527538.db2.gz PPALKHWWFAZPAG-UHFFFAOYSA-N 1 2 344.386 2.697 10 10 EFCELO CCC[NH+](CCC)c1ccc([C@@H]2NC(=O)[C@H]3CSCCN23)cc1 ZINC000765511865 577049404 /nfs/dbraw/zinc/04/94/04/577049404.db2.gz CUMMZUNFFDJFOV-IAGOWNOFSA-N 1 2 333.501 2.859 10 10 EFCELO CN(C)c1ccc(CNC(=O)Nc2ccc3[nH+]ccn3c2)cc1F ZINC000738948988 577326327 /nfs/dbraw/zinc/32/63/27/577326327.db2.gz KPPYHPRQACQUOD-UHFFFAOYSA-N 1 2 327.363 2.861 10 10 EFCELO C[N@H+](Cc1cc[nH]n1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769385254 577357471 /nfs/dbraw/zinc/35/74/71/577357471.db2.gz UQNVBVCDAKHGDK-UHFFFAOYSA-N 1 2 329.404 2.940 10 10 EFCELO C[N@@H+](Cc1cc[nH]n1)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769385254 577357472 /nfs/dbraw/zinc/35/74/72/577357472.db2.gz UQNVBVCDAKHGDK-UHFFFAOYSA-N 1 2 329.404 2.940 10 10 EFCELO Oc1c(Br)cccc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000770752856 581133626 /nfs/dbraw/zinc/13/36/26/581133626.db2.gz VAPJRTURCGZDKB-SWLSCSKDSA-N 1 2 342.233 2.582 10 10 EFCELO Cn1cc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c(Br)n1 ZINC000922468072 1266099187 /nfs/dbraw/zinc/09/91/87/1266099187.db2.gz MNGUNMMEKNQNGQ-UHFFFAOYSA-N 1 2 348.603 2.971 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815079550 1287302884 /nfs/dbraw/zinc/30/28/84/1287302884.db2.gz VOEDFXSFARISGJ-LJQANCHMSA-N 1 2 342.487 2.985 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815079550 1287302889 /nfs/dbraw/zinc/30/28/89/1287302889.db2.gz VOEDFXSFARISGJ-LJQANCHMSA-N 1 2 342.487 2.985 10 10 EFCELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815079546 1287303525 /nfs/dbraw/zinc/30/35/25/1287303525.db2.gz VOEDFXSFARISGJ-IBGZPJMESA-N 1 2 342.487 2.985 10 10 EFCELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815079546 1287303533 /nfs/dbraw/zinc/30/35/33/1287303533.db2.gz VOEDFXSFARISGJ-IBGZPJMESA-N 1 2 342.487 2.985 10 10 EFCELO Cc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1N(C)C ZINC000815084029 1287307535 /nfs/dbraw/zinc/30/75/35/1287307535.db2.gz OMAFFWWEYLHBDQ-UHFFFAOYSA-N 1 2 326.400 2.923 10 10 EFCELO Cc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)ccc1N(C)C ZINC000815084029 1287307539 /nfs/dbraw/zinc/30/75/39/1287307539.db2.gz OMAFFWWEYLHBDQ-UHFFFAOYSA-N 1 2 326.400 2.923 10 10 EFCELO O=C(Cc1cn2c([nH+]1)CCCC2)NCCCSc1nccs1 ZINC000845506040 1279690639 /nfs/dbraw/zinc/69/06/39/1279690639.db2.gz LBJJFAXOBDQVMS-UHFFFAOYSA-N 1 2 336.486 2.517 10 10 EFCELO COCc1cnc(C[N@H+](C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846051365 1280001571 /nfs/dbraw/zinc/00/15/71/1280001571.db2.gz GMZVPDCOVFHNOY-UHFFFAOYSA-N 1 2 335.473 2.866 10 10 EFCELO COCc1cnc(C[N@@H+](C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846051365 1280001579 /nfs/dbraw/zinc/00/15/79/1280001579.db2.gz GMZVPDCOVFHNOY-UHFFFAOYSA-N 1 2 335.473 2.866 10 10 EFCELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816588416 1288208399 /nfs/dbraw/zinc/20/83/99/1288208399.db2.gz NSUNAWKOCDSCIW-ZSGNIPIJSA-N 1 2 327.783 2.958 10 10 EFCELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816588416 1288208401 /nfs/dbraw/zinc/20/84/01/1288208401.db2.gz NSUNAWKOCDSCIW-ZSGNIPIJSA-N 1 2 327.783 2.958 10 10 EFCELO Cn1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000816555033 1288210978 /nfs/dbraw/zinc/21/09/78/1288210978.db2.gz RGTFLBMGIBYMQE-LBPRGKRZSA-N 1 2 338.814 2.677 10 10 EFCELO Cn1cc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000816555032 1288211177 /nfs/dbraw/zinc/21/11/77/1288211177.db2.gz RGTFLBMGIBYMQE-GFCCVEGCSA-N 1 2 338.814 2.677 10 10 EFCELO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H]1n1cccn1 ZINC000816671877 1288239404 /nfs/dbraw/zinc/23/94/04/1288239404.db2.gz JVBBDXZMGHQGEB-KFWWJZLASA-N 1 2 339.798 2.890 10 10 EFCELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001135800651 1288392365 /nfs/dbraw/zinc/39/23/65/1288392365.db2.gz KRWPRMGCVTZMOP-QGZVFWFLSA-N 1 2 338.455 2.704 10 10 EFCELO C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccc(N(C)C)cc1 ZINC000775403872 1292269448 /nfs/dbraw/zinc/26/94/48/1292269448.db2.gz LBJSATFPYCQPNQ-CQSZACIVSA-N 1 2 335.411 2.824 10 10 EFCELO CCN(C)c1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC001197169178 1294472293 /nfs/dbraw/zinc/47/22/93/1294472293.db2.gz WYFCIOZUYCTWNL-INIZCTEOSA-N 1 2 343.393 2.786 10 10 EFCELO CCN(C)c1ccc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC001197169178 1294472294 /nfs/dbraw/zinc/47/22/94/1294472294.db2.gz WYFCIOZUYCTWNL-INIZCTEOSA-N 1 2 343.393 2.786 10 10 EFCELO Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000852537010 1299745768 /nfs/dbraw/zinc/74/57/68/1299745768.db2.gz MRWYREHUOHHNKX-MGPUTAFESA-N 1 2 342.414 2.873 10 10 EFCELO Cc1cc(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000852537010 1299745777 /nfs/dbraw/zinc/74/57/77/1299745777.db2.gz MRWYREHUOHHNKX-MGPUTAFESA-N 1 2 342.414 2.873 10 10 EFCELO COc1ccc(N2CC[C@H](Nc3nc(N)c4ccccc4[nH+]3)C2)cc1 ZINC000853758143 1300260266 /nfs/dbraw/zinc/26/02/66/1300260266.db2.gz AJVOMGINFLUCRV-ZDUSSCGKSA-N 1 2 335.411 2.911 10 10 EFCELO Cn1nccc1C([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccnn1C ZINC000862540684 1302409204 /nfs/dbraw/zinc/40/92/04/1302409204.db2.gz JSKCPXYVVPNAJS-UHFFFAOYSA-N 1 2 349.797 2.531 10 10 EFCELO O=C1C[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCN1C1CC1 ZINC000748265293 1313842627 /nfs/dbraw/zinc/84/26/27/1313842627.db2.gz SUDJYMSDXMSDMB-UHFFFAOYSA-N 1 2 340.423 2.824 10 10 EFCELO O=C1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCN1C1CC1 ZINC000748265293 1313842629 /nfs/dbraw/zinc/84/26/29/1313842629.db2.gz SUDJYMSDXMSDMB-UHFFFAOYSA-N 1 2 340.423 2.824 10 10 EFCELO CC[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(Cl)c1O ZINC000866412409 1303627640 /nfs/dbraw/zinc/62/76/40/1303627640.db2.gz IRNUPMPQIKEACZ-SWLSCSKDSA-N 1 2 326.868 2.932 10 10 EFCELO CC[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(F)cc1O ZINC000866440288 1303640017 /nfs/dbraw/zinc/64/00/17/1303640017.db2.gz OGLOGHBXRANVPV-AWEZNQCLSA-N 1 2 334.395 2.784 10 10 EFCELO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)c1 ZINC000866565124 1303689088 /nfs/dbraw/zinc/68/90/88/1303689088.db2.gz IFONXULYCUMYQX-VIFPVBQESA-N 1 2 339.342 2.701 10 10 EFCELO C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)Cn1cc[nH+]c1 ZINC000900788508 1308681205 /nfs/dbraw/zinc/68/12/05/1308681205.db2.gz WQVRIBIYVUQUFL-SNVBAGLBSA-N 1 2 331.397 2.575 10 10 EFCELO COc1ccc(C[NH2+]C2(CNC(=O)C(F)C(F)(F)F)CC2)cc1C ZINC001277061111 1311559034 /nfs/dbraw/zinc/55/90/34/1311559034.db2.gz YFSUTDSUECMWIB-ZDUSSCGKSA-N 1 2 348.340 2.642 10 10 EFCELO COc1ccc(C[NH2+]C2(CNC(=O)[C@H](F)C(F)(F)F)CC2)cc1C ZINC001277061111 1311559036 /nfs/dbraw/zinc/55/90/36/1311559036.db2.gz YFSUTDSUECMWIB-ZDUSSCGKSA-N 1 2 348.340 2.642 10 10 EFCELO CCNc1cc(CNC(=O)NCc2ccc(N(C)C)cc2C)cc[nH+]1 ZINC001263711095 1316557704 /nfs/dbraw/zinc/55/77/04/1316557704.db2.gz QQPHTIFXNGNYKK-UHFFFAOYSA-N 1 2 341.459 2.887 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724842035 1317365424 /nfs/dbraw/zinc/36/54/24/1317365424.db2.gz KGMBBOBOXLUIHQ-TVQRCGJNSA-N 1 2 330.197 2.905 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000724842035 1317365432 /nfs/dbraw/zinc/36/54/32/1317365432.db2.gz KGMBBOBOXLUIHQ-TVQRCGJNSA-N 1 2 330.197 2.905 10 10 EFCELO COC(=O)c1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)on1 ZINC001307567609 1324771695 /nfs/dbraw/zinc/77/16/95/1324771695.db2.gz SKRLWEWQKYMSTB-UHFFFAOYSA-N 1 2 342.351 2.962 10 10 EFCELO COC(=O)c1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)on1 ZINC001307567609 1324771701 /nfs/dbraw/zinc/77/17/01/1324771701.db2.gz SKRLWEWQKYMSTB-UHFFFAOYSA-N 1 2 342.351 2.962 10 10 EFCELO NC(=O)N=Nc1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC001464562811 1396585633 /nfs/dbraw/zinc/58/56/33/1396585633.db2.gz JBMGKCAROSMXBK-UHFFFAOYSA-N 1 2 326.360 2.592 10 10 EFCELO C[C@@H](CC[NH2+]Cc1cc(Br)cc(F)c1O)[S@](C)=O ZINC000715761770 719722420 /nfs/dbraw/zinc/72/24/20/719722420.db2.gz URMQBXOWGGEEOB-ASCAZGACSA-N 1 2 338.242 2.541 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000319857485 722654213 /nfs/dbraw/zinc/65/42/13/722654213.db2.gz GDMKUJSVXGMECI-ZDUSSCGKSA-N 1 2 337.725 2.747 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000319857485 722654215 /nfs/dbraw/zinc/65/42/15/722654215.db2.gz GDMKUJSVXGMECI-ZDUSSCGKSA-N 1 2 337.725 2.747 10 10 EFCELO Cc1cn(C(C)(C)C(=O)NCc2ccc3c(c2)CCCN3C)c[nH+]1 ZINC000895980365 723081757 /nfs/dbraw/zinc/08/17/57/723081757.db2.gz KLLVSGNUIAGCMS-UHFFFAOYSA-N 1 2 326.444 2.625 10 10 EFCELO CC[C@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)OC ZINC000895139793 723436580 /nfs/dbraw/zinc/43/65/80/723436580.db2.gz OYNGSOFUSOXKSI-MRVPVSSYSA-N 1 2 334.185 2.583 10 10 EFCELO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1cccc(Cl)c1O ZINC000895633951 724228377 /nfs/dbraw/zinc/22/83/77/724228377.db2.gz HUNZXLUEOMPSGI-GOSISDBHSA-N 1 2 333.815 2.978 10 10 EFCELO CCS(=O)(=O)NCCC[N@@H+](c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000151681226 725808213 /nfs/dbraw/zinc/80/82/13/725808213.db2.gz QOECYFNLTBSYOO-CQSZACIVSA-N 1 2 340.489 2.630 10 10 EFCELO CCS(=O)(=O)NCCC[N@H+](c1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000151681226 725808215 /nfs/dbraw/zinc/80/82/15/725808215.db2.gz QOECYFNLTBSYOO-CQSZACIVSA-N 1 2 340.489 2.630 10 10 EFCELO CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000158122871 728302734 /nfs/dbraw/zinc/30/27/34/728302734.db2.gz GJULLBJBPBNQBI-UHFFFAOYSA-N 1 2 325.817 2.739 10 10 EFCELO Cc1ccccc1CC(=O)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180020952 729672608 /nfs/dbraw/zinc/67/26/08/729672608.db2.gz RUBLSWXAPODCNH-UHFFFAOYSA-N 1 2 342.414 2.727 10 10 EFCELO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001586295700 1092719458 /nfs/dbraw/zinc/71/94/58/1092719458.db2.gz UQXKDUDFRNOUIB-UHFFFAOYSA-N 1 2 336.395 2.602 10 10 EFCELO CC[N@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000708087916 1092972794 /nfs/dbraw/zinc/97/27/94/1092972794.db2.gz FCTYSWAHYMGGFS-LLVKDONJSA-N 1 2 333.657 2.992 10 10 EFCELO CC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000708087916 1092972804 /nfs/dbraw/zinc/97/28/04/1092972804.db2.gz FCTYSWAHYMGGFS-LLVKDONJSA-N 1 2 333.657 2.992 10 10 EFCELO CCN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1CC[NH2+]C1 ZINC000708087916 1092972812 /nfs/dbraw/zinc/97/28/12/1092972812.db2.gz FCTYSWAHYMGGFS-LLVKDONJSA-N 1 2 333.657 2.992 10 10 EFCELO C[C@@H]1C[NH2+]CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708125263 1093125844 /nfs/dbraw/zinc/12/58/44/1093125844.db2.gz NVZLXYARDRZXBD-SECBINFHSA-N 1 2 333.657 2.849 10 10 EFCELO CC1(C)CN(Cc2cc(Cl)cc(Br)c2O)CC[NH2+]1 ZINC000708133172 1093128224 /nfs/dbraw/zinc/12/82/24/1093128224.db2.gz IDFOOWJXCXUWOC-UHFFFAOYSA-N 1 2 333.657 2.992 10 10 EFCELO O=C(NCCc1ccc(O)c(O)c1)c1c[nH+]ccc1Nc1ccccc1 ZINC001622753202 1099539864 /nfs/dbraw/zinc/53/98/64/1099539864.db2.gz LNLHADPRAJPVMP-UHFFFAOYSA-N 1 2 349.390 2.631 10 10 EFCELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCc1c[nH+]cn1C ZINC001628954579 1100153259 /nfs/dbraw/zinc/15/32/59/1100153259.db2.gz MVADZDRPLMKYLR-UHFFFAOYSA-N 1 2 326.444 2.612 10 10 EFCELO NC(=O)N=Nc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001631265658 1100382833 /nfs/dbraw/zinc/38/28/33/1100382833.db2.gz LHQPOZJHXMLDMK-UHFFFAOYSA-N 1 2 348.366 2.965 10 10 EFCELO Cc1cc(C(=O)NCC(C)(C)n2cc[nH+]c2)c(C)n1-c1ccccn1 ZINC000898901945 1109124255 /nfs/dbraw/zinc/12/42/55/1109124255.db2.gz QDUOTCXUPNHNIN-UHFFFAOYSA-N 1 2 337.427 2.851 10 10 EFCELO CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000097653827 219044202 /nfs/dbraw/zinc/04/42/02/219044202.db2.gz HWSFPUZXMLYGDI-QGZVFWFLSA-N 1 2 345.487 2.608 10 10 EFCELO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000174587631 529780620 /nfs/dbraw/zinc/78/06/20/529780620.db2.gz YWDORJMGGOUAOF-UHFFFAOYSA-N 1 2 346.862 2.549 10 10 EFCELO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000174587631 529780621 /nfs/dbraw/zinc/78/06/21/529780621.db2.gz YWDORJMGGOUAOF-UHFFFAOYSA-N 1 2 346.862 2.549 10 10 EFCELO Oc1c(Cl)cccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000362037919 242240127 /nfs/dbraw/zinc/24/01/27/242240127.db2.gz JYRCWUSGYMRRME-UHFFFAOYSA-N 1 2 332.835 2.963 10 10 EFCELO Cc1cn2c([nH+]1)CN(C(=O)c1cc(C)n(-c3ccccn3)c1C)CC2 ZINC000363717428 242282621 /nfs/dbraw/zinc/28/26/21/242282621.db2.gz FXXGIFGDYNTSOX-UHFFFAOYSA-N 1 2 335.411 2.650 10 10 EFCELO C[C@@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1O ZINC000191203859 296115195 /nfs/dbraw/zinc/11/51/95/296115195.db2.gz OXJKQVVDMHFHPT-LLVKDONJSA-N 1 2 334.370 2.780 10 10 EFCELO CCCOCc1cc(CN2CC[NH+](C)CC2)c(O)c2ncccc12 ZINC000020439858 212129049 /nfs/dbraw/zinc/12/90/49/212129049.db2.gz CYVVTEZTJPBVPY-UHFFFAOYSA-N 1 2 329.444 2.614 10 10 EFCELO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1O ZINC000185994479 278376251 /nfs/dbraw/zinc/37/62/51/278376251.db2.gz YMOHREVMVNYYDB-RKDXNWHRSA-N 1 2 327.215 2.956 10 10 EFCELO CCN(C(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000069596387 472377271 /nfs/dbraw/zinc/37/72/71/472377271.db2.gz SEBHTVVDROTHPO-UHFFFAOYSA-N 1 2 328.412 2.998 10 10 EFCELO CCN(C(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000069596387 472377276 /nfs/dbraw/zinc/37/72/76/472377276.db2.gz SEBHTVVDROTHPO-UHFFFAOYSA-N 1 2 328.412 2.998 10 10 EFCELO COc1ccc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)cc1F ZINC000133635423 472826017 /nfs/dbraw/zinc/82/60/17/472826017.db2.gz GYWQLMNDYVBUFL-UHFFFAOYSA-N 1 2 328.391 2.828 10 10 EFCELO COc1ccc(N2CC[NH+](Cc3cn4cc(F)ccc4n3)CC2)cc1 ZINC000065239661 472911290 /nfs/dbraw/zinc/91/12/90/472911290.db2.gz LFYLQAMPWGMEOT-UHFFFAOYSA-N 1 2 340.402 2.804 10 10 EFCELO COc1ccc(N2CCN(Cc3cn4cc(F)ccc4[nH+]3)CC2)cc1 ZINC000065239661 472911297 /nfs/dbraw/zinc/91/12/97/472911297.db2.gz LFYLQAMPWGMEOT-UHFFFAOYSA-N 1 2 340.402 2.804 10 10 EFCELO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1F ZINC000122213399 472988895 /nfs/dbraw/zinc/98/88/95/472988895.db2.gz YFDIWNMDIUIBKC-KRWDZBQOSA-N 1 2 346.450 2.769 10 10 EFCELO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1F ZINC000122213399 472988903 /nfs/dbraw/zinc/98/89/03/472988903.db2.gz YFDIWNMDIUIBKC-KRWDZBQOSA-N 1 2 346.450 2.769 10 10 EFCELO CC(C)c1nnc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1C ZINC000111232879 473197856 /nfs/dbraw/zinc/19/78/56/473197856.db2.gz 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ZINC000180079256 473793181 /nfs/dbraw/zinc/79/31/81/473793181.db2.gz OYSLDUJKLSUNAF-CQSZACIVSA-N 1 2 332.835 2.936 10 10 EFCELO C[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCN(c2cccnn2)C1 ZINC000180079256 473793183 /nfs/dbraw/zinc/79/31/83/473793183.db2.gz OYSLDUJKLSUNAF-CQSZACIVSA-N 1 2 332.835 2.936 10 10 EFCELO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118105 473804203 /nfs/dbraw/zinc/80/42/03/473804203.db2.gz AITQRKYRVMSJLX-KRWDZBQOSA-N 1 2 329.448 2.533 10 10 EFCELO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118105 473804208 /nfs/dbraw/zinc/80/42/08/473804208.db2.gz AITQRKYRVMSJLX-KRWDZBQOSA-N 1 2 329.448 2.533 10 10 EFCELO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282973931 474260749 /nfs/dbraw/zinc/26/07/49/474260749.db2.gz IWFHJHBQPBQODA-XJKSGUPXSA-N 1 2 325.836 2.703 10 10 EFCELO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000289647218 474359868 /nfs/dbraw/zinc/35/98/68/474359868.db2.gz XWJHKUDMQKTETF-OAHLLOKOSA-N 1 2 342.233 2.536 10 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/nfs/dbraw/zinc/51/72/34/474517234.db2.gz RGYKQEQXWAISSP-MLGOLLRUSA-N 1 2 337.803 2.963 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271420715 474539097 /nfs/dbraw/zinc/53/90/97/474539097.db2.gz ZEGZERWWGFGIEA-ZWKOTPCHSA-N 1 2 330.428 2.670 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000271420715 474539102 /nfs/dbraw/zinc/53/91/02/474539102.db2.gz ZEGZERWWGFGIEA-ZWKOTPCHSA-N 1 2 330.428 2.670 10 10 EFCELO O=C(NCc1ccc(N2CCCC2)cc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272357800 474607965 /nfs/dbraw/zinc/60/79/65/474607965.db2.gz YWIXBZVWJDDCNH-UHFFFAOYSA-N 1 2 347.422 2.798 10 10 EFCELO CC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](C)CS(=O)(=O)CC ZINC000295413876 475125167 /nfs/dbraw/zinc/12/51/67/475125167.db2.gz RUUVUMBHOXELIZ-JTQLQIEISA-N 1 2 337.844 2.830 10 10 EFCELO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H](C)CS(=O)(=O)CC ZINC000295413876 475125173 /nfs/dbraw/zinc/12/51/73/475125173.db2.gz RUUVUMBHOXELIZ-JTQLQIEISA-N 1 2 337.844 2.830 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCc3c(sc4ncnc(N)c34)C2)cc1 ZINC000373230721 476387489 /nfs/dbraw/zinc/38/74/89/476387489.db2.gz OANTZUKNHCDKSC-UHFFFAOYSA-N 1 2 339.468 2.898 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCc3c(sc4ncnc(N)c34)C2)cc1 ZINC000373230721 476387496 /nfs/dbraw/zinc/38/74/96/476387496.db2.gz OANTZUKNHCDKSC-UHFFFAOYSA-N 1 2 339.468 2.898 10 10 EFCELO CCOC(=O)C1(COC)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000370119337 476673440 /nfs/dbraw/zinc/67/34/40/476673440.db2.gz GCYBCKNRHWLUIP-UHFFFAOYSA-N 1 2 341.835 2.837 10 10 EFCELO C[N@H+](Cc1cccc(Cl)c1O)C1CCN(c2cnccn2)CC1 ZINC000378561063 476720943 /nfs/dbraw/zinc/72/09/43/476720943.db2.gz TWJUVKUXURDONQ-UHFFFAOYSA-N 1 2 332.835 2.936 10 10 EFCELO C[N@@H+](Cc1cccc(Cl)c1O)C1CCN(c2cnccn2)CC1 ZINC000378561063 476720950 /nfs/dbraw/zinc/72/09/50/476720950.db2.gz TWJUVKUXURDONQ-UHFFFAOYSA-N 1 2 332.835 2.936 10 10 EFCELO COc1cc(C[N@@H+]2CCN(C3CC3)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754735791 575480221 /nfs/dbraw/zinc/48/02/21/575480221.db2.gz BKYHAOYWILSMBQ-UHFFFAOYSA-N 1 2 332.444 2.505 10 10 EFCELO COc1cc(C[N@H+]2CCN(C3CC3)C(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000754735791 575480225 /nfs/dbraw/zinc/48/02/25/575480225.db2.gz BKYHAOYWILSMBQ-UHFFFAOYSA-N 1 2 332.444 2.505 10 10 EFCELO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756449135 575741449 /nfs/dbraw/zinc/74/14/49/575741449.db2.gz ITGKMFPDVFCISG-ANLVUFKYSA-N 1 2 346.118 2.868 10 10 EFCELO C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000756539248 575757598 /nfs/dbraw/zinc/75/75/98/575757598.db2.gz KXWDOHVVGXDDFT-VIFPVBQESA-N 1 2 344.293 2.910 10 10 EFCELO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Br)c(F)cc1O ZINC000756593414 575766227 /nfs/dbraw/zinc/76/62/27/575766227.db2.gz JQDPDGDELCURRL-RKDXNWHRSA-N 1 2 345.212 2.565 10 10 EFCELO Cc1cc(C(=O)C[N@@H+](C)C2CC(O)C2)c(C)n1-c1ccc(F)cc1 ZINC000759868018 575948911 /nfs/dbraw/zinc/94/89/11/575948911.db2.gz HKRKVOMDRHZNOR-UHFFFAOYSA-N 1 2 330.403 2.871 10 10 EFCELO Cc1cc(C(=O)C[N@H+](C)C2CC(O)C2)c(C)n1-c1ccc(F)cc1 ZINC000759868018 575948916 /nfs/dbraw/zinc/94/89/16/575948916.db2.gz HKRKVOMDRHZNOR-UHFFFAOYSA-N 1 2 330.403 2.871 10 10 EFCELO COc1cc(Cl)cc(C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)c1O ZINC000761201999 576128829 /nfs/dbraw/zinc/12/88/29/576128829.db2.gz JZSLLJRJTHHUNW-UHFFFAOYSA-N 1 2 340.851 2.885 10 10 EFCELO COc1cc(Cl)cc(C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)c1O ZINC000761201999 576128833 /nfs/dbraw/zinc/12/88/33/576128833.db2.gz JZSLLJRJTHHUNW-UHFFFAOYSA-N 1 2 340.851 2.885 10 10 EFCELO C/C=C\C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)OCC ZINC000763365300 576374279 /nfs/dbraw/zinc/37/42/79/576374279.db2.gz LAUALUPUEFGJOE-LKIHTYOGSA-N 1 2 332.444 2.511 10 10 EFCELO C/C=C/C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)OCC ZINC000763365308 576374347 /nfs/dbraw/zinc/37/43/47/576374347.db2.gz LAUALUPUEFGJOE-YZTRRJNXSA-N 1 2 332.444 2.511 10 10 EFCELO C/C=C\C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)OCC ZINC000763365297 576374350 /nfs/dbraw/zinc/37/43/50/576374350.db2.gz LAUALUPUEFGJOE-AJNOYIKESA-N 1 2 332.444 2.511 10 10 EFCELO CCC[NH+](CCC)c1ccc(CN2CCOC[C@@H]2C(=O)OC)cc1 ZINC000769398311 577359088 /nfs/dbraw/zinc/35/90/88/577359088.db2.gz JMGZFPXGUKXABC-GOSISDBHSA-N 1 2 334.460 2.687 10 10 EFCELO COc1cc(C)cc(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000771637451 581229156 /nfs/dbraw/zinc/22/91/56/581229156.db2.gz YUJUCJLVHWXADJ-INIZCTEOSA-N 1 2 345.443 2.633 10 10 EFCELO COc1cc(C)cc(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000771637451 581229158 /nfs/dbraw/zinc/22/91/58/581229158.db2.gz YUJUCJLVHWXADJ-INIZCTEOSA-N 1 2 345.443 2.633 10 10 EFCELO COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000850514687 1250518793 /nfs/dbraw/zinc/51/87/93/1250518793.db2.gz PGUGTTJZQHVTLE-CQSZACIVSA-N 1 2 329.448 2.792 10 10 EFCELO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccc(OC)c2F)c1 ZINC000850537525 1250528015 /nfs/dbraw/zinc/52/80/15/1250528015.db2.gz RKZOOFVPFLJJSC-SNVBAGLBSA-N 1 2 334.347 2.572 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824654314 1278219036 /nfs/dbraw/zinc/21/90/36/1278219036.db2.gz MUCHBPVBXPTYHO-ZBINZKHDSA-N 1 2 329.799 2.547 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824654314 1278219052 /nfs/dbraw/zinc/21/90/52/1278219052.db2.gz MUCHBPVBXPTYHO-ZBINZKHDSA-N 1 2 329.799 2.547 10 10 EFCELO Cc1cn(C(C)(C)C(=O)NCc2ccc(N3CCCC3)cc2)c[nH+]1 ZINC000825286122 1267055123 /nfs/dbraw/zinc/05/51/23/1267055123.db2.gz IEHJFOUHJHKOFD-UHFFFAOYSA-N 1 2 326.444 2.843 10 10 EFCELO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000793999094 1279988201 /nfs/dbraw/zinc/98/82/01/1279988201.db2.gz QCMDHVZYIGOXSL-QGZVFWFLSA-N 1 2 345.443 2.715 10 10 EFCELO CCOc1ccc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)c1 ZINC000793999094 1279988206 /nfs/dbraw/zinc/98/82/06/1279988206.db2.gz QCMDHVZYIGOXSL-QGZVFWFLSA-N 1 2 345.443 2.715 10 10 EFCELO O=C(NCc1cc(O)ccc1O)c1c[nH+]ccc1Nc1ccccc1 ZINC001176755134 1288120375 /nfs/dbraw/zinc/12/03/75/1288120375.db2.gz MQQADVCOUIHGQD-UHFFFAOYSA-N 1 2 335.363 2.588 10 10 EFCELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816588414 1288208561 /nfs/dbraw/zinc/20/85/61/1288208561.db2.gz NSUNAWKOCDSCIW-OSQNNJELSA-N 1 2 327.783 2.958 10 10 EFCELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816588414 1288208562 /nfs/dbraw/zinc/20/85/62/1288208562.db2.gz NSUNAWKOCDSCIW-OSQNNJELSA-N 1 2 327.783 2.958 10 10 EFCELO CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000042290077 1297697675 /nfs/dbraw/zinc/69/76/75/1297697675.db2.gz HEVUQOUIZILLHB-OAHLLOKOSA-N 1 2 333.476 2.511 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1 ZINC000779203646 1298054547 /nfs/dbraw/zinc/05/45/47/1298054547.db2.gz FYGWKCRWTHQKQA-TVQRCGJNSA-N 1 2 341.249 2.549 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)c1 ZINC000779203646 1298054554 /nfs/dbraw/zinc/05/45/54/1298054554.db2.gz FYGWKCRWTHQKQA-TVQRCGJNSA-N 1 2 341.249 2.549 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000852299128 1299637922 /nfs/dbraw/zinc/63/79/22/1299637922.db2.gz MROJTIMAUVFZMU-UHFFFAOYSA-N 1 2 334.803 2.618 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c1O ZINC000852299128 1299637934 /nfs/dbraw/zinc/63/79/34/1299637934.db2.gz MROJTIMAUVFZMU-UHFFFAOYSA-N 1 2 334.803 2.618 10 10 EFCELO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@]2(CCOC2)O1 ZINC000862351758 1302341360 /nfs/dbraw/zinc/34/13/60/1302341360.db2.gz SZZKWRIFHFONLB-KDOFPFPSSA-N 1 2 340.414 2.801 10 10 EFCELO CC[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@]2(CCOC2)O1 ZINC000862351758 1302341371 /nfs/dbraw/zinc/34/13/71/1302341371.db2.gz SZZKWRIFHFONLB-KDOFPFPSSA-N 1 2 340.414 2.801 10 10 EFCELO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1cc(OC)ccc1O)CC2 ZINC000862468825 1302393053 /nfs/dbraw/zinc/39/30/53/1302393053.db2.gz PKCTVOBPRYRFCP-UHFFFAOYSA-N 1 2 345.370 2.885 10 10 EFCELO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1cc(OC)ccc1O)CC2 ZINC000862468825 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CCC[C@H](C(=O)OCC)[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001559667172 1415253118 /nfs/dbraw/zinc/25/31/18/1415253118.db2.gz MSPXTNAXZQDWDI-GOSISDBHSA-N 1 2 334.460 2.939 10 10 EFCELO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1[O-] ZINC000188403138 714539900 /nfs/dbraw/zinc/53/99/00/714539900.db2.gz BWEWYICSCGISPS-CYBMUJFWSA-N 1 2 336.779 2.815 10 10 EFCELO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1[O-] ZINC000188403138 714539904 /nfs/dbraw/zinc/53/99/04/714539904.db2.gz BWEWYICSCGISPS-CYBMUJFWSA-N 1 2 336.779 2.815 10 10 EFCELO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895273809 723967757 /nfs/dbraw/zinc/96/77/57/723967757.db2.gz DWCPIHDLWIUAOZ-IINYFYTJSA-N 1 2 330.197 2.762 10 10 EFCELO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895273809 723967764 /nfs/dbraw/zinc/96/77/64/723967764.db2.gz DWCPIHDLWIUAOZ-IINYFYTJSA-N 1 2 330.197 2.762 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000319857479 722654208 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OC[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000895836834 724344043 /nfs/dbraw/zinc/34/40/43/724344043.db2.gz PKQAWRKHPQQJAR-LBPRGKRZSA-N 1 2 327.705 2.931 10 10 EFCELO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000895836834 724344047 /nfs/dbraw/zinc/34/40/47/724344047.db2.gz PKQAWRKHPQQJAR-LBPRGKRZSA-N 1 2 327.705 2.931 10 10 EFCELO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCN1CC(F)F ZINC000153531149 726914848 /nfs/dbraw/zinc/91/48/48/726914848.db2.gz OEVQFJIZFHLWBY-CQSZACIVSA-N 1 2 344.377 2.895 10 10 EFCELO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCN1CC(F)F ZINC000153531149 726914850 /nfs/dbraw/zinc/91/48/50/726914850.db2.gz OEVQFJIZFHLWBY-CQSZACIVSA-N 1 2 344.377 2.895 10 10 EFCELO CCCCN(Cc1ccccc1O)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908044734 727085944 /nfs/dbraw/zinc/08/59/44/727085944.db2.gz FAXOHIHMLQXVAU-VKAVYKQESA-N 1 2 346.471 2.799 10 10 EFCELO CC(C)(C)OC(=O)NCC(F)(F)C[NH2+]Cc1cccc(F)c1O ZINC000230955422 728608433 /nfs/dbraw/zinc/60/84/33/728608433.db2.gz 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CC(=O)c1cc(Cl)cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1O ZINC000247297044 240279175 /nfs/dbraw/zinc/27/91/75/240279175.db2.gz ULVFZZIFYFELGJ-CABCVRRESA-N 1 2 341.860 2.955 10 10 EFCELO CCn1cc[nH+]c1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296220556 241078213 /nfs/dbraw/zinc/07/82/13/241078213.db2.gz FSFPSFJAVMNODD-UHFFFAOYSA-N 1 2 327.432 2.503 10 10 EFCELO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366111591 242342725 /nfs/dbraw/zinc/34/27/25/242342725.db2.gz BYNREKTUAINDPZ-OAHLLOKOSA-N 1 2 342.443 2.985 10 10 EFCELO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366111591 242342729 /nfs/dbraw/zinc/34/27/29/242342729.db2.gz BYNREKTUAINDPZ-OAHLLOKOSA-N 1 2 342.443 2.985 10 10 EFCELO Fc1cc(C[NH2+][C@@H]2CCCc3[nH]ncc32)ccc1N1CCOCC1 ZINC000367596554 242386275 /nfs/dbraw/zinc/38/62/75/242386275.db2.gz PXAIBMUQLHUWBD-MRXNPFEDSA-N 1 2 330.407 2.553 10 10 EFCELO O=C(Nc1ccc(O)c(C[NH+]2CCOCC2)c1)c1cc(F)cc(F)c1 ZINC000071916747 203150419 /nfs/dbraw/zinc/15/04/19/203150419.db2.gz AATNYFHQMKULJX-UHFFFAOYSA-N 1 2 348.349 2.755 10 10 EFCELO Cc1ccc(/C=C2/SC(=S)N(CC[NH+]3CCOCC3)C2=O)cc1 ZINC000096935899 292040171 /nfs/dbraw/zinc/04/01/71/292040171.db2.gz USGXBUQAVBCWPX-NTCAYCPXSA-N 1 2 348.493 2.528 10 10 EFCELO CC1(C)C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369535616 281245745 /nfs/dbraw/zinc/24/57/45/281245745.db2.gz BOOPSKSRMHKYGH-MRXNPFEDSA-N 1 2 329.799 2.955 10 10 EFCELO CC1(C)C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@@]2(CCOC2)O1 ZINC000369535616 281245746 /nfs/dbraw/zinc/24/57/46/281245746.db2.gz BOOPSKSRMHKYGH-MRXNPFEDSA-N 1 2 329.799 2.955 10 10 EFCELO COC(=O)/C=C/c1ccc(N(C)CCCn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000133018798 472768685 /nfs/dbraw/zinc/76/86/85/472768685.db2.gz LGMSFQUGHMLNBZ-FNORWQNLSA-N 1 2 344.371 2.504 10 10 EFCELO COc1ccc([NH+]2CCC(N(C)C(=O)c3cc(C)no3)CC2)cc1 ZINC000065614828 472991534 /nfs/dbraw/zinc/99/15/34/472991534.db2.gz OUVAXTLGUHHJGW-UHFFFAOYSA-N 1 2 329.400 2.733 10 10 EFCELO Cc1ccc([C@H]2COCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)o1 ZINC000093459814 473109255 /nfs/dbraw/zinc/10/92/55/473109255.db2.gz WIPMETWMERPJSL-LJQANCHMSA-N 1 2 342.439 2.998 10 10 EFCELO Cc1ccc([C@H]2COCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)o1 ZINC000093459814 473109259 /nfs/dbraw/zinc/10/92/59/473109259.db2.gz WIPMETWMERPJSL-LJQANCHMSA-N 1 2 342.439 2.998 10 10 EFCELO CC[C@@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093740081 473136548 /nfs/dbraw/zinc/13/65/48/473136548.db2.gz BERXCPOAWSYCRF-ZDUSSCGKSA-N 1 2 333.259 2.588 10 10 EFCELO CC(C)(C)n1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000191169992 473496815 /nfs/dbraw/zinc/49/68/15/473496815.db2.gz NEKLHUNJSTZTPR-QGZVFWFLSA-N 1 2 344.459 2.920 10 10 EFCELO CC(C)(C)n1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000191169992 473496819 /nfs/dbraw/zinc/49/68/19/473496819.db2.gz NEKLHUNJSTZTPR-QGZVFWFLSA-N 1 2 344.459 2.920 10 10 EFCELO Oc1c(Cl)cccc1C[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000180084212 473793746 /nfs/dbraw/zinc/79/37/46/473793746.db2.gz ZUOQSVJWACVMSX-SFHVURJKSA-N 1 2 346.858 2.897 10 10 EFCELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000180101446 473798557 /nfs/dbraw/zinc/79/85/57/473798557.db2.gz QXTFJSBKLNHNJV-LLVKDONJSA-N 1 2 336.823 2.616 10 10 EFCELO CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271277543 474471642 /nfs/dbraw/zinc/47/16/42/474471642.db2.gz ASRGXCYPOQXQQS-UHFFFAOYSA-N 1 2 349.438 2.996 10 10 EFCELO CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000284169701 474587712 /nfs/dbraw/zinc/58/77/12/474587712.db2.gz WWIZNRLJRZONTO-YPMHNXCESA-N 1 2 336.259 2.947 10 10 EFCELO COc1c(O)c(C[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278155607 474602312 /nfs/dbraw/zinc/60/23/12/474602312.db2.gz CWSJSFCNWGEDOO-UHFFFAOYSA-N 1 2 343.383 2.631 10 10 EFCELO COc1ccc(N2CC[NH+](Cc3ccc(F)nc3C)CC2)cc1F ZINC000278502437 474666574 /nfs/dbraw/zinc/66/65/74/474666574.db2.gz VSXXQPXRFHVZTK-UHFFFAOYSA-N 1 2 333.382 2.999 10 10 EFCELO CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293573885 475040316 /nfs/dbraw/zinc/04/03/16/475040316.db2.gz JEQLQVUWIAVJDX-PWSUYJOCSA-N 1 2 328.815 2.921 10 10 EFCELO Cc1cc(N2CCC([NH2+]Cc3cc(Cl)c(F)cc3O)CC2)n[nH]1 ZINC000294518227 475069311 /nfs/dbraw/zinc/06/93/11/475069311.db2.gz CIWPHABEBPVVHB-UHFFFAOYSA-N 1 2 338.814 2.975 10 10 EFCELO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000373736447 476424117 /nfs/dbraw/zinc/42/41/17/476424117.db2.gz BAPMLDJVCLDKMQ-DYLAAIIWSA-N 1 2 329.227 2.785 10 10 EFCELO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000373736447 476424123 /nfs/dbraw/zinc/42/41/23/476424123.db2.gz BAPMLDJVCLDKMQ-DYLAAIIWSA-N 1 2 329.227 2.785 10 10 EFCELO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000375266538 476747200 /nfs/dbraw/zinc/74/72/00/476747200.db2.gz MAZJQNKCZZVRLB-KRWDZBQOSA-N 1 2 345.443 2.715 10 10 EFCELO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000375266538 476747207 /nfs/dbraw/zinc/74/72/07/476747207.db2.gz MAZJQNKCZZVRLB-KRWDZBQOSA-N 1 2 345.443 2.715 10 10 EFCELO CCn1ncc(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000527925598 478573327 /nfs/dbraw/zinc/57/33/27/478573327.db2.gz VKEQEVKXBDSQCN-MRVPVSSYSA-N 1 2 343.200 2.756 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000366566491 536153289 /nfs/dbraw/zinc/15/32/89/536153289.db2.gz AGYFSIOVQDEFKB-MAUKXSAKSA-N 1 2 337.391 2.504 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000366566491 536153292 /nfs/dbraw/zinc/15/32/92/536153292.db2.gz AGYFSIOVQDEFKB-MAUKXSAKSA-N 1 2 337.391 2.504 10 10 EFCELO C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756392023 575729565 /nfs/dbraw/zinc/72/95/65/575729565.db2.gz GRLKSNMFCOEWJB-LBPRGKRZSA-N 1 2 339.355 2.732 10 10 EFCELO C[C@H]([NH2+][C@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1O ZINC000756431713 575738251 /nfs/dbraw/zinc/73/82/51/575738251.db2.gz PATAVVNGVGRJCE-AAEUAGOBSA-N 1 2 334.370 2.780 10 10 EFCELO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)cc(F)c1O ZINC000756449136 575741442 /nfs/dbraw/zinc/74/14/42/575741442.db2.gz ITGKMFPDVFCISG-CDUCUWFYSA-N 1 2 346.118 2.868 10 10 EFCELO CC=CC[C@@H]1NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000761224134 576132353 /nfs/dbraw/zinc/13/23/53/576132353.db2.gz UEOLKWQZSTYSHI-IDOMTICXSA-N 1 2 343.427 2.551 10 10 EFCELO CC=CC[C@H]1NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000761224136 576132388 /nfs/dbraw/zinc/13/23/88/576132388.db2.gz UEOLKWQZSTYSHI-REMYHPOOSA-N 1 2 343.427 2.551 10 10 EFCELO CCC[NH+](CCC)c1ccc([C@H]2NC(=O)[C@H]3CSCCN32)cc1 ZINC000765511876 577049248 /nfs/dbraw/zinc/04/92/48/577049248.db2.gz CUMMZUNFFDJFOV-SJORKVTESA-N 1 2 333.501 2.859 10 10 EFCELO Oc1cc2c(cc1C[N@@H+]1CCc3ccc(F)c(F)c3C1)[C@@H](O)CO2 ZINC000768462497 577275644 /nfs/dbraw/zinc/27/56/44/577275644.db2.gz MAMUZWRMDNHKMM-INIZCTEOSA-N 1 2 333.334 2.655 10 10 EFCELO Oc1cc2c(cc1C[N@H+]1CCc3ccc(F)c(F)c3C1)[C@@H](O)CO2 ZINC000768462497 577275647 /nfs/dbraw/zinc/27/56/47/577275647.db2.gz MAMUZWRMDNHKMM-INIZCTEOSA-N 1 2 333.334 2.655 10 10 EFCELO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000770350478 577412263 /nfs/dbraw/zinc/41/22/63/577412263.db2.gz HLCUBSRXFRMXPS-MAUKXSAKSA-N 1 2 347.411 2.708 10 10 EFCELO CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000770350478 577412265 /nfs/dbraw/zinc/41/22/65/577412265.db2.gz HLCUBSRXFRMXPS-MAUKXSAKSA-N 1 2 347.411 2.708 10 10 EFCELO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@H](C)n3ncnc32)c1 ZINC000850351866 1250446430 /nfs/dbraw/zinc/44/64/30/1250446430.db2.gz JHGDPDGCYPPSJH-JOYOIKCWSA-N 1 2 337.221 2.850 10 10 EFCELO CCc1nnc([C@@H](C)[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000851732817 1251230084 /nfs/dbraw/zinc/23/00/84/1251230084.db2.gz CVOOEYWQSTTXTG-CQSZACIVSA-N 1 2 329.448 2.649 10 10 EFCELO CCc1nnc([C@@H](C)[N@H+]2CCCN(c3ccc(OC)cc3)CC2)[nH]1 ZINC000851732817 1251230092 /nfs/dbraw/zinc/23/00/92/1251230092.db2.gz CVOOEYWQSTTXTG-CQSZACIVSA-N 1 2 329.448 2.649 10 10 EFCELO CCC[N@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CC[NH2+]C1 ZINC000715771154 1264942022 /nfs/dbraw/zinc/94/20/22/1264942022.db2.gz SRLYVIISGOQPMZ-LBPRGKRZSA-N 1 2 331.229 2.868 10 10 EFCELO CCC[N@@H+](Cc1cc(Br)cc(F)c1[O-])[C@H]1CC[NH2+]C1 ZINC000715771154 1264942029 /nfs/dbraw/zinc/94/20/29/1264942029.db2.gz SRLYVIISGOQPMZ-LBPRGKRZSA-N 1 2 331.229 2.868 10 10 EFCELO COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000738949897 1268583665 /nfs/dbraw/zinc/58/36/65/1268583665.db2.gz DHMIKRYTMJQHBU-LLVKDONJSA-N 1 2 326.356 2.931 10 10 EFCELO C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969702 1276411266 /nfs/dbraw/zinc/41/12/66/1276411266.db2.gz YFOFFGCUZGKGNC-MWODSPESSA-N 1 2 331.229 2.942 10 10 EFCELO Oc1cccc(Br)c1C[NH2+]Cc1noc2c1COCC2 ZINC000923014520 1276525116 /nfs/dbraw/zinc/52/51/16/1276525116.db2.gz HXSJQRFMHOGWHS-UHFFFAOYSA-N 1 2 339.189 2.505 10 10 EFCELO COCc1cc[nH+]c(NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000844707092 1279188956 /nfs/dbraw/zinc/18/89/56/1279188956.db2.gz IBMJQYDNFJPMBV-UHFFFAOYSA-N 1 2 331.391 2.816 10 10 EFCELO C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(N(C)C)cc1 ZINC000845955681 1279932935 /nfs/dbraw/zinc/93/29/35/1279932935.db2.gz CANTYBAGCKDTDU-AWEZNQCLSA-N 1 2 326.444 2.705 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CCCCN(C)C2=O)c1O ZINC000872264128 1287508201 /nfs/dbraw/zinc/50/82/01/1287508201.db2.gz ZGNMIDWFXNEHHF-HNNXBMFYSA-N 1 2 338.835 2.691 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CCCCN(C)C2=O)c1O ZINC000872264128 1287508204 /nfs/dbraw/zinc/50/82/04/1287508204.db2.gz ZGNMIDWFXNEHHF-HNNXBMFYSA-N 1 2 338.835 2.691 10 10 EFCELO Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000809663061 1282391772 /nfs/dbraw/zinc/39/17/72/1282391772.db2.gz JTFJNSMFQDVYMJ-JTQLQIEISA-N 1 2 336.798 2.937 10 10 EFCELO Nc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000809663061 1282391783 /nfs/dbraw/zinc/39/17/83/1282391783.db2.gz JTFJNSMFQDVYMJ-JTQLQIEISA-N 1 2 336.798 2.937 10 10 EFCELO CCOC(=O)C[N@H+](CCOCc1ccccc1)Cc1ccccc1O ZINC001171390447 1283150334 /nfs/dbraw/zinc/15/03/34/1283150334.db2.gz MXDQCOLYTBXKDU-UHFFFAOYSA-N 1 2 343.423 2.974 10 10 EFCELO CCOC(=O)C[N@@H+](CCOCc1ccccc1)Cc1ccccc1O ZINC001171390447 1283150336 /nfs/dbraw/zinc/15/03/36/1283150336.db2.gz MXDQCOLYTBXKDU-UHFFFAOYSA-N 1 2 343.423 2.974 10 10 EFCELO COc1ccc(N2CCC([NH2+]Cc3noc(C4CC4)n3)CC2)cc1 ZINC000824321734 1289606075 /nfs/dbraw/zinc/60/60/75/1289606075.db2.gz VWIBXERYPNTDFS-UHFFFAOYSA-N 1 2 328.416 2.714 10 10 EFCELO CCN(CC)C(=O)N1CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000775652614 1293917968 /nfs/dbraw/zinc/91/79/68/1293917968.db2.gz OAHATYLJWPXGEP-UHFFFAOYSA-N 1 2 339.867 2.933 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776012389 1295680664 /nfs/dbraw/zinc/68/06/64/1295680664.db2.gz GGVFVARSZYFOAQ-STQMWFEESA-N 1 2 345.798 2.727 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776012389 1295680679 /nfs/dbraw/zinc/68/06/79/1295680679.db2.gz GGVFVARSZYFOAQ-STQMWFEESA-N 1 2 345.798 2.727 10 10 EFCELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776012382 1295680968 /nfs/dbraw/zinc/68/09/68/1295680968.db2.gz GGVFVARSZYFOAQ-CHWSQXEVSA-N 1 2 345.798 2.727 10 10 EFCELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776012382 1295680982 /nfs/dbraw/zinc/68/09/82/1295680982.db2.gz GGVFVARSZYFOAQ-CHWSQXEVSA-N 1 2 345.798 2.727 10 10 EFCELO COc1ccc(N2CC[NH+]([C@@H](C)c3snnc3C)CC2)c(OC)c1 ZINC000931530711 1297351412 /nfs/dbraw/zinc/35/14/12/1297351412.db2.gz NWLAOHJHGLWWJB-ZDUSSCGKSA-N 1 2 348.472 2.747 10 10 EFCELO COc1cc(O)c(C[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1OC ZINC000853612829 1300194275 /nfs/dbraw/zinc/19/42/75/1300194275.db2.gz LHASUIHDZAKIQX-NSHDSACASA-N 1 2 335.322 2.563 10 10 EFCELO COc1cc(O)c(C[N@H+]2CCO[C@@H](CC(F)(F)F)C2)cc1OC ZINC000853612829 1300194279 /nfs/dbraw/zinc/19/42/79/1300194279.db2.gz LHASUIHDZAKIQX-NSHDSACASA-N 1 2 335.322 2.563 10 10 EFCELO COc1ccc(N2CC[C@@H](Nc3cc(N4CCCC4)nc[nH+]3)C2)cc1 ZINC000853759245 1300262314 /nfs/dbraw/zinc/26/23/14/1300262314.db2.gz QBKWHSXCRPXITP-OAHLLOKOSA-N 1 2 339.443 2.776 10 10 EFCELO COc1ccc(N2CC[C@@H](Nc3cc(N4CCCC4)[nH+]cn3)C2)cc1 ZINC000853759245 1300262326 /nfs/dbraw/zinc/26/23/26/1300262326.db2.gz QBKWHSXCRPXITP-OAHLLOKOSA-N 1 2 339.443 2.776 10 10 EFCELO CC[C@@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCOC2)O1 ZINC000862351760 1302343504 /nfs/dbraw/zinc/34/35/04/1302343504.db2.gz SZZKWRIFHFONLB-RDTXWAMCSA-N 1 2 340.414 2.801 10 10 EFCELO CC[C@@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCOC2)O1 ZINC000862351760 1302343513 /nfs/dbraw/zinc/34/35/13/1302343513.db2.gz SZZKWRIFHFONLB-RDTXWAMCSA-N 1 2 340.414 2.801 10 10 EFCELO C[C@](CO)([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(O)c1 ZINC000862432471 1302383534 /nfs/dbraw/zinc/38/35/34/1302383534.db2.gz FGOJUJHPXQOIDT-MRXNPFEDSA-N 1 2 325.767 2.888 10 10 EFCELO CCOC(=O)C1=CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000862486295 1302398420 /nfs/dbraw/zinc/39/84/20/1302398420.db2.gz CKXSXLWXLHHLBI-LBPRGKRZSA-N 1 2 340.217 2.896 10 10 EFCELO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)cc(F)c1O ZINC000866441972 1303641001 /nfs/dbraw/zinc/64/10/01/1303641001.db2.gz BFMPMFPZGJCXDW-LDWIPMOCSA-N 1 2 342.155 2.961 10 10 EFCELO C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1O ZINC000866531343 1303674694 /nfs/dbraw/zinc/67/46/94/1303674694.db2.gz GWZYXRDDINGTED-AAEUAGOBSA-N 1 2 327.371 2.907 10 10 EFCELO O=C(NCc1ccc(O)cc1O)c1c[nH+]ccc1Nc1ccccc1 ZINC001162278439 1312079532 /nfs/dbraw/zinc/07/95/32/1312079532.db2.gz HYWHWZJICXMAAK-UHFFFAOYSA-N 1 2 335.363 2.588 10 10 EFCELO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1O ZINC000903153553 1312414294 /nfs/dbraw/zinc/41/42/94/1312414294.db2.gz HHSZADZKSXVXQQ-ZBOXLXRLSA-N 1 2 347.427 2.924 10 10 EFCELO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000903223245 1312477161 /nfs/dbraw/zinc/47/71/61/1312477161.db2.gz YOSDRPHWPVSIPC-NSHDSACASA-N 1 2 349.456 2.548 10 10 EFCELO COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000827487965 1315988601 /nfs/dbraw/zinc/98/86/01/1315988601.db2.gz AUPLOJSSFSCEKL-MRXNPFEDSA-N 1 2 327.808 2.508 10 10 EFCELO COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000827487965 1315988603 /nfs/dbraw/zinc/98/86/03/1315988603.db2.gz AUPLOJSSFSCEKL-MRXNPFEDSA-N 1 2 327.808 2.508 10 10 EFCELO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955517 1316256414 /nfs/dbraw/zinc/25/64/14/1316256414.db2.gz JBYCFXVIHORKSO-BJOHPYRUSA-N 1 2 346.330 2.554 10 10 EFCELO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955517 1316256418 /nfs/dbraw/zinc/25/64/18/1316256418.db2.gz JBYCFXVIHORKSO-BJOHPYRUSA-N 1 2 346.330 2.554 10 10 EFCELO CN(C)c1ccc(C=CC[NH2+]Cc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848562062 1334795951 /nfs/dbraw/zinc/79/59/51/1334795951.db2.gz GQSTZGACPBKDOZ-OICCZTGUSA-N 1 2 327.432 2.525 10 10 EFCELO O=C(CCc1[nH]cc[nH+]1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001450708136 1392708970 /nfs/dbraw/zinc/70/89/70/1392708970.db2.gz CQQDHXJDBWUUCE-UHFFFAOYSA-N 1 2 332.367 2.691 10 10 EFCELO Cc1ccc(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)c(O)c1O ZINC001471527184 1397182024 /nfs/dbraw/zinc/18/20/24/1397182024.db2.gz SCCXCXZGGARJFU-MRXNPFEDSA-N 1 2 337.379 2.774 10 10 EFCELO CCC[N@H+](Cc1nc(Br)nn1C)Cc1ccccc1O ZINC000893984554 720203975 /nfs/dbraw/zinc/20/39/75/720203975.db2.gz QFHRBGKTGJOQSH-UHFFFAOYSA-N 1 2 339.237 2.695 10 10 EFCELO CCC[N@@H+](Cc1nc(Br)nn1C)Cc1ccccc1O ZINC000893984554 720203977 /nfs/dbraw/zinc/20/39/77/720203977.db2.gz QFHRBGKTGJOQSH-UHFFFAOYSA-N 1 2 339.237 2.695 10 10 EFCELO Oc1ccc(F)cc1C[NH2+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000186475020 720467942 /nfs/dbraw/zinc/46/79/42/720467942.db2.gz OOXQXHCWKHVZQN-UHFFFAOYSA-N 1 2 328.347 2.518 10 10 EFCELO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCn3c[nH+]cc32)c1 ZINC000912584450 727727162 /nfs/dbraw/zinc/72/71/62/727727162.db2.gz IDIOHFNMOXVSSM-SFHVURJKSA-N 1 2 348.406 2.978 10 10 EFCELO CN(Cc1cc(Cl)cc(Br)c1O)[C@@H]1CCC[NH2+]C1 ZINC000708089137 1092972618 /nfs/dbraw/zinc/97/26/18/1092972618.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366152826 242342636 /nfs/dbraw/zinc/34/26/36/242342636.db2.gz YZNQZRPFLTVEHA-HNNXBMFYSA-N 1 2 341.459 2.565 10 10 EFCELO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)N1CCOC[C@H]1C ZINC000112377949 473263083 /nfs/dbraw/zinc/26/30/83/473263083.db2.gz QDJYVNCVIPWIOM-WDEREUQCSA-N 1 2 333.259 2.898 10 10 EFCELO Cc1cccc(/C=C2\SC(=S)N(CC[NH+]3CCOCC3)C2=O)c1 ZINC000014197669 471859626 /nfs/dbraw/zinc/85/96/26/471859626.db2.gz GGSXXLGDMGMPJA-QINSGFPZSA-N 1 2 348.493 2.528 10 10 EFCELO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000026858672 472151478 /nfs/dbraw/zinc/15/14/78/472151478.db2.gz JYTACYZLFOEXBK-UHFFFAOYSA-N 1 2 330.403 2.873 10 10 EFCELO COc1ccc(N2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)cc1 ZINC000044070112 472282811 /nfs/dbraw/zinc/28/28/11/472282811.db2.gz FUFKLBBYWUMGGP-UHFFFAOYSA-N 1 2 340.383 2.660 10 10 EFCELO O=C(CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2O)CC1)N1CCCC1 ZINC000069615876 472381406 /nfs/dbraw/zinc/38/14/06/472381406.db2.gz 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ZINC000093459813 473110122 /nfs/dbraw/zinc/11/01/22/473110122.db2.gz WIPMETWMERPJSL-IBGZPJMESA-N 1 2 342.439 2.998 10 10 EFCELO C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180074817 473791584 /nfs/dbraw/zinc/79/15/84/473791584.db2.gz IWLCSGWJNGCIHR-MRXNPFEDSA-N 1 2 337.895 2.648 10 10 EFCELO C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180074817 473791594 /nfs/dbraw/zinc/79/15/94/473791594.db2.gz IWLCSGWJNGCIHR-MRXNPFEDSA-N 1 2 337.895 2.648 10 10 EFCELO Cc1cc(C)n(C[C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)n1 ZINC000180130916 473806545 /nfs/dbraw/zinc/80/65/45/473806545.db2.gz PETQIMKJKUGGAA-HNNXBMFYSA-N 1 2 335.835 2.760 10 10 EFCELO Cc1cc(C)n(C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)n1 ZINC000180130916 473806547 /nfs/dbraw/zinc/80/65/47/473806547.db2.gz PETQIMKJKUGGAA-HNNXBMFYSA-N 1 2 335.835 2.760 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271334059 474496642 /nfs/dbraw/zinc/49/66/42/474496642.db2.gz NLYCLTUULVDOQB-CRAIPNDOSA-N 1 2 348.418 2.809 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271334059 474496649 /nfs/dbraw/zinc/49/66/49/474496649.db2.gz NLYCLTUULVDOQB-CRAIPNDOSA-N 1 2 348.418 2.809 10 10 EFCELO COc1c(O)c(C[N@H+](C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000278173487 474601983 /nfs/dbraw/zinc/60/19/83/474601983.db2.gz FYYVQRUPNCFIBZ-UHFFFAOYSA-N 1 2 337.763 2.989 10 10 EFCELO COc1c(O)c(C[N@@H+](C)Cc2ccc(Cl)nc2)ccc1[N+](=O)[O-] ZINC000278173487 474601988 /nfs/dbraw/zinc/60/19/88/474601988.db2.gz FYYVQRUPNCFIBZ-UHFFFAOYSA-N 1 2 337.763 2.989 10 10 EFCELO Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3O)C2)n(C)n1 ZINC000278610247 474734607 /nfs/dbraw/zinc/73/46/07/474734607.db2.gz GJTAGTXNWTVLHB-AWEZNQCLSA-N 1 2 334.851 2.846 10 10 EFCELO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273374898 474867119 /nfs/dbraw/zinc/86/71/19/474867119.db2.gz HAWKAINKXPEAMZ-ZBEGNZNMSA-N 1 2 332.356 2.693 10 10 EFCELO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Cl)cc(Cl)c3O)[C@H]2C1 ZINC000293532776 475026206 /nfs/dbraw/zinc/02/62/06/475026206.db2.gz BYWHRKAQQDREFG-LSDHHAIUSA-N 1 2 345.270 2.994 10 10 EFCELO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)O2 ZINC000294518053 475070700 /nfs/dbraw/zinc/07/07/00/475070700.db2.gz CHZPTTYKXHLHRM-OHUAYANFSA-N 1 2 329.799 2.953 10 10 EFCELO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)O2 ZINC000294518053 475070708 /nfs/dbraw/zinc/07/07/08/475070708.db2.gz CHZPTTYKXHLHRM-OHUAYANFSA-N 1 2 329.799 2.953 10 10 EFCELO CC1(C)C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000294610910 475074638 /nfs/dbraw/zinc/07/46/38/475074638.db2.gz IOJZPSMZCFWNMV-MRXNPFEDSA-N 1 2 329.799 2.955 10 10 EFCELO CC1(C)C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000294610910 475074644 /nfs/dbraw/zinc/07/46/44/475074644.db2.gz IOJZPSMZCFWNMV-MRXNPFEDSA-N 1 2 329.799 2.955 10 10 EFCELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000373580229 476415644 /nfs/dbraw/zinc/41/56/44/476415644.db2.gz BVAVBGCADCMKDM-CHWSQXEVSA-N 1 2 327.808 2.588 10 10 EFCELO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(Cl)c1O ZINC000373580229 476415652 /nfs/dbraw/zinc/41/56/52/476415652.db2.gz BVAVBGCADCMKDM-CHWSQXEVSA-N 1 2 327.808 2.588 10 10 EFCELO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000375266539 476747012 /nfs/dbraw/zinc/74/70/12/476747012.db2.gz MAZJQNKCZZVRLB-QGZVFWFLSA-N 1 2 345.443 2.715 10 10 EFCELO CCOc1ccc(O)c(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000375266539 476747018 /nfs/dbraw/zinc/74/70/18/476747018.db2.gz MAZJQNKCZZVRLB-QGZVFWFLSA-N 1 2 345.443 2.715 10 10 EFCELO C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)N1CCOC[C@H]1C ZINC000408512923 476955318 /nfs/dbraw/zinc/95/53/18/476955318.db2.gz QDJYVNCVIPWIOM-GHMZBOCLSA-N 1 2 333.259 2.898 10 10 EFCELO CN(C)c1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1F ZINC000371902132 477548974 /nfs/dbraw/zinc/54/89/74/477548974.db2.gz LRWVCJWTABMHHY-UHFFFAOYSA-N 1 2 345.422 2.704 10 10 EFCELO CN(C)c1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000371902132 477548980 /nfs/dbraw/zinc/54/89/80/477548980.db2.gz LRWVCJWTABMHHY-UHFFFAOYSA-N 1 2 345.422 2.704 10 10 EFCELO C[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])ccc1O ZINC000756351643 575721566 /nfs/dbraw/zinc/72/15/66/575721566.db2.gz MMRFWQUCCJCHNG-YPMHNXCESA-N 1 2 330.340 2.791 10 10 EFCELO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756395213 575730336 /nfs/dbraw/zinc/73/03/36/575730336.db2.gz HZEXHPRUWWNSHB-NSHDSACASA-N 1 2 326.387 2.968 10 10 EFCELO C[C@H]([NH2+][C@@H]1CCCN(c2ncccn2)C1)c1cc(F)cc(F)c1O ZINC000756431717 575738208 /nfs/dbraw/zinc/73/82/08/575738208.db2.gz PATAVVNGVGRJCE-WCQYABFASA-N 1 2 334.370 2.780 10 10 EFCELO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1O ZINC000756616008 575768025 /nfs/dbraw/zinc/76/80/25/575768025.db2.gz YLDFZVBDITZQLO-AAEUAGOBSA-N 1 2 336.386 2.724 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2CCO)c1O ZINC000759726066 575926947 /nfs/dbraw/zinc/92/69/47/575926947.db2.gz CIAQUZIEMDKPRY-CYBMUJFWSA-N 1 2 329.849 2.548 10 10 EFCELO 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345.443 2.715 10 10 EFCELO C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1cc(F)cc(F)c1O ZINC000872119791 1287435294 /nfs/dbraw/zinc/43/52/94/1287435294.db2.gz VTGGNNALSGBSGE-KVAMGIGCSA-N 1 2 345.411 2.677 10 10 EFCELO CC[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1cccc(Cl)c1O ZINC000806145503 1280990434 /nfs/dbraw/zinc/99/04/34/1280990434.db2.gz KQJRGUNEDAHISH-CQSZACIVSA-N 1 2 346.880 2.512 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCCN(C)C2=O)c1O ZINC000872264129 1287508288 /nfs/dbraw/zinc/50/82/88/1287508288.db2.gz ZGNMIDWFXNEHHF-OAHLLOKOSA-N 1 2 338.835 2.691 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H]2CCCCN(C)C2=O)c1O ZINC000872264129 1287508293 /nfs/dbraw/zinc/50/82/93/1287508293.db2.gz ZGNMIDWFXNEHHF-OAHLLOKOSA-N 1 2 338.835 2.691 10 10 EFCELO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H](O)CC1CCCC1 ZINC000823575752 1289337279 /nfs/dbraw/zinc/33/72/79/1289337279.db2.gz AKEDZUQFMFAGSJ-KRWDZBQOSA-N 1 2 335.444 2.699 10 10 EFCELO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H](O)CC1CCCC1 ZINC000823575752 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C[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1cc(Cl)ccc1O ZINC000866441545 1303641369 /nfs/dbraw/zinc/64/13/69/1303641369.db2.gz MPPZUWOYQSDURA-SNVBAGLBSA-N 1 2 336.823 2.909 10 10 EFCELO Oc1c(Br)cccc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000689676174 1311090994 /nfs/dbraw/zinc/09/09/94/1311090994.db2.gz SFCIACUDDNIROK-UHFFFAOYSA-N 1 2 326.234 2.795 10 10 EFCELO CNc1cc(CNC(=O)NCc2ccc3c(c2)CCCN3C)cc[nH+]1 ZINC001350880600 1333146669 /nfs/dbraw/zinc/14/66/69/1333146669.db2.gz ATBDHBHYKKQSQE-UHFFFAOYSA-N 1 2 339.443 2.505 10 10 EFCELO O=C(NCc1c(O)cccc1F)[C@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC001351000709 1333165506 /nfs/dbraw/zinc/16/55/06/1333165506.db2.gz ZLOCGGKUHKOSTI-QGZVFWFLSA-N 1 2 343.402 2.597 10 10 EFCELO O=C(NCc1c(O)cccc1F)[C@H]1CCCC[N@H+]1Cc1cccnc1 ZINC001351000709 1333165511 /nfs/dbraw/zinc/16/55/11/1333165511.db2.gz ZLOCGGKUHKOSTI-QGZVFWFLSA-N 1 2 343.402 2.597 10 10 EFCELO CC1(C)C[NH+](CC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000847570061 1333924193 /nfs/dbraw/zinc/92/41/93/1333924193.db2.gz LGSURTNMDBJSTM-UHFFFAOYSA-N 1 2 328.412 2.856 10 10 EFCELO Cc1[nH+]c[nH]c1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001465841446 1396715492 /nfs/dbraw/zinc/71/54/92/1396715492.db2.gz XUDQXKLUGDDEFL-UHFFFAOYSA-N 1 2 325.368 2.788 10 10 EFCELO C[C@@H]([NH2+]Cc1noc(CNC(=O)OC(C)(C)C)n1)c1ccccc1O ZINC001473723172 1397324982 /nfs/dbraw/zinc/32/49/82/1397324982.db2.gz ZYUJCBHJMNSZKF-LLVKDONJSA-N 1 2 348.403 2.651 10 10 EFCELO O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)c1cccc(O)c1O ZINC001556746684 1415086266 /nfs/dbraw/zinc/08/62/66/1415086266.db2.gz LHBMQSBFWCKVFA-UHFFFAOYSA-N 1 2 343.770 2.867 10 10 EFCELO CCOC(=O)CN(CCCCn1cc[nH+]c1C)Cc1ccccc1O ZINC001559930194 1415258754 /nfs/dbraw/zinc/25/87/54/1415258754.db2.gz IGAJYJZZNFZJAP-UHFFFAOYSA-N 1 2 345.443 2.743 10 10 EFCELO COc1ccc(N2CC[NH+](CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000068678569 714532004 /nfs/dbraw/zinc/53/20/04/714532004.db2.gz HQRBWCSKZDXZJU-APWZRJJASA-N 1 2 345.487 2.512 10 10 EFCELO CC[N@H+](Cc1c(O)cc(C)cc1Cl)[C@@H](C)CS(=O)(=O)CC ZINC000840915955 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C[C@@H]1C[C@@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708089180 1092972360 /nfs/dbraw/zinc/97/23/60/1092972360.db2.gz KKBNKKQOCHHGTL-LDYMZIIASA-N 1 2 333.657 2.977 10 10 EFCELO CN(Cc1cc(Cl)cc(Br)c1O)C[C@@H]1CCC[NH2+]1 ZINC000708087478 1092973509 /nfs/dbraw/zinc/97/35/09/1092973509.db2.gz CPCGEGXYJIYXCO-NSHDSACASA-N 1 2 333.657 2.992 10 10 EFCELO C[C@@H]([NH2+][C@@H]1CCCc2[nH]ncc21)c1ccc(N2CCOCC2)cc1 ZINC000796705359 1094885037 /nfs/dbraw/zinc/88/50/37/1094885037.db2.gz PSRNVHDKZLWFHW-RDTXWAMCSA-N 1 2 326.444 2.975 10 10 EFCELO CC(=O)N1CC[N@H+](Cc2cc(C)cc(Br)c2O)[C@@H](C)C1 ZINC000781912339 1098700865 /nfs/dbraw/zinc/70/08/65/1098700865.db2.gz PFMWWQUYFYQZOX-NSHDSACASA-N 1 2 341.249 2.516 10 10 EFCELO CC(=O)N1CC[N@@H+](Cc2cc(C)cc(Br)c2O)[C@@H](C)C1 ZINC000781912339 1098700875 /nfs/dbraw/zinc/70/08/75/1098700875.db2.gz PFMWWQUYFYQZOX-NSHDSACASA-N 1 2 341.249 2.516 10 10 EFCELO CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001625544895 1099824758 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CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@@]2(CCOC2)O1 ZINC000816596881 1288219036 /nfs/dbraw/zinc/21/90/36/1288219036.db2.gz VLTFSTWJOYMOTD-MLGOLLRUSA-N 1 2 329.799 2.955 10 10 EFCELO CN(C)c1ccc(CNC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001135643083 1288222308 /nfs/dbraw/zinc/22/23/08/1288222308.db2.gz PFTYRQFKXNVGPI-UHFFFAOYSA-N 1 2 348.450 2.856 10 10 EFCELO CCOc1cccc(C[NH2+]C(C)(C)c2nocc2C(=O)OC)c1O ZINC000822534699 1289013356 /nfs/dbraw/zinc/01/33/56/1289013356.db2.gz UJAUPPFEWGRZSL-UHFFFAOYSA-N 1 2 334.372 2.590 10 10 EFCELO Oc1ccccc1C[N@@H+](Cc1cn(C2CCC2)nn1)C[C@H]1CCCO1 ZINC000824507717 1289694577 /nfs/dbraw/zinc/69/45/77/1289694577.db2.gz MEFZHMCRAQDSPX-GOSISDBHSA-N 1 2 342.443 2.890 10 10 EFCELO Oc1ccccc1C[N@H+](Cc1cn(C2CCC2)nn1)C[C@H]1CCCO1 ZINC000824507717 1289694585 /nfs/dbraw/zinc/69/45/85/1289694585.db2.gz MEFZHMCRAQDSPX-GOSISDBHSA-N 1 2 342.443 2.890 10 10 EFCELO COc1c(O)c(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775012902 1290948149 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/nfs/dbraw/zinc/41/23/33/1302412333.db2.gz RJOBOQMKHXKTLD-HNNXBMFYSA-N 1 2 344.249 2.700 10 10 EFCELO CC[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(Cl)c1O ZINC000866412410 1303628037 /nfs/dbraw/zinc/62/80/37/1303628037.db2.gz IRNUPMPQIKEACZ-WFASDCNBSA-N 1 2 326.868 2.932 10 10 EFCELO C[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(Cl)cc1O ZINC000866439345 1303639978 /nfs/dbraw/zinc/63/99/78/1303639978.db2.gz FYHRWCMZMQEFKR-SNVBAGLBSA-N 1 2 336.823 2.909 10 10 EFCELO C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1O ZINC000866531346 1303674894 /nfs/dbraw/zinc/67/48/94/1303674894.db2.gz GWZYXRDDINGTED-YPMHNXCESA-N 1 2 327.371 2.907 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000802659907 1311894994 /nfs/dbraw/zinc/89/49/94/1311894994.db2.gz PGUHHKIOLMJBLN-BDJLRTHQSA-N 1 2 343.826 2.842 10 10 EFCELO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000903327720 1312573568 /nfs/dbraw/zinc/57/35/68/1312573568.db2.gz XWESYVIXLWKTRV-MEDUHNTESA-N 1 2 327.384 2.771 10 10 EFCELO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001290374811 1321905628 /nfs/dbraw/zinc/90/56/28/1321905628.db2.gz OAHNKLKYCODWPT-QZTJIDSGSA-N 1 2 338.455 2.782 10 10 EFCELO O=C(NCc1ccn2cc[nH+]c2c1)c1cc2cc(O)c(O)cc2s1 ZINC001294906135 1322595129 /nfs/dbraw/zinc/59/51/29/1322595129.db2.gz UYZMGRDOMGWOAP-UHFFFAOYSA-N 1 2 339.376 2.890 10 10 EFCELO O=C(NCc1c(O)cccc1F)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001333661728 1331189687 /nfs/dbraw/zinc/18/96/87/1331189687.db2.gz WQYCPSXNSMWRBU-QGZVFWFLSA-N 1 2 343.402 2.597 10 10 EFCELO O=C(NCc1c(O)cccc1F)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001333661728 1331189691 /nfs/dbraw/zinc/18/96/91/1331189691.db2.gz WQYCPSXNSMWRBU-QGZVFWFLSA-N 1 2 343.402 2.597 10 10 EFCELO CCNc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)cc[nH+]1 ZINC001350758131 1333128029 /nfs/dbraw/zinc/12/80/29/1333128029.db2.gz AMGQWWRHOTVNMM-UHFFFAOYSA-N 1 2 327.432 2.579 10 10 EFCELO CN(C)c1ccc(C=CC[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000848561997 1334795862 /nfs/dbraw/zinc/79/58/62/1334795862.db2.gz GQSTZGACPBKDOZ-IMMZDGJCSA-N 1 2 327.432 2.525 10 10 EFCELO C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923005 1334989914 /nfs/dbraw/zinc/98/99/14/1334989914.db2.gz BOPCTXGJKCRJHZ-SDDRHHMPSA-N 1 2 330.831 2.772 10 10 EFCELO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1c(O)cccc1O ZINC001456326561 1394667741 /nfs/dbraw/zinc/66/77/41/1394667741.db2.gz YPIANJNQLCARGO-CQSZACIVSA-N 1 2 337.379 2.659 10 10 EFCELO CCOc1ccc(N2CC[NH+]([C@H](CC(C)C)C(=O)OC)CC2)cc1 ZINC001459796956 1395983166 /nfs/dbraw/zinc/98/31/66/1395983166.db2.gz MMGRUQSHDMJULD-GOSISDBHSA-N 1 2 334.460 2.795 10 10 EFCELO CC[NH+](CC)Cc1csc(NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001469572718 1397039246 /nfs/dbraw/zinc/03/92/46/1397039246.db2.gz XYRFOFRMRUYYIV-UHFFFAOYSA-N 1 2 335.429 2.577 10 10 EFCELO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473610078 1397314476 /nfs/dbraw/zinc/31/44/76/1397314476.db2.gz KTCPMTCJNOJBLV-LJQANCHMSA-N 1 2 342.439 2.978 10 10 EFCELO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473610078 1397314481 /nfs/dbraw/zinc/31/44/81/1397314481.db2.gz KTCPMTCJNOJBLV-LJQANCHMSA-N 1 2 342.439 2.978 10 10 EFCELO O=C(NCc1cc(Br)ccc1O)c1cccc2[nH+]ccn21 ZINC000804740200 713456836 /nfs/dbraw/zinc/45/68/36/713456836.db2.gz BOQLWIWXOZYUHE-UHFFFAOYSA-N 1 2 346.184 2.732 10 10 EFCELO O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1[O-] ZINC000188403111 714540020 /nfs/dbraw/zinc/54/00/20/714540020.db2.gz BWEWYICSCGISPS-ZDUSSCGKSA-N 1 2 336.779 2.815 10 10 EFCELO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1[O-] ZINC000188403111 714540023 /nfs/dbraw/zinc/54/00/23/714540023.db2.gz BWEWYICSCGISPS-ZDUSSCGKSA-N 1 2 336.779 2.815 10 10 EFCELO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000125723578 716907026 /nfs/dbraw/zinc/90/70/26/716907026.db2.gz KVDQCRKCEIWCOH-PWSUYJOCSA-N 1 2 342.233 2.976 10 10 EFCELO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895273813 723967813 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COc1cc(C)cc(C[N@@H+]2Cc3ccccc3N(C)C(=O)C2)c1O ZINC000895393939 724108877 /nfs/dbraw/zinc/10/88/77/724108877.db2.gz QDUAARTUMGLMLI-UHFFFAOYSA-N 1 2 326.396 2.688 10 10 EFCELO COc1cc(C)cc(C[N@H+]2Cc3ccccc3N(C)C(=O)C2)c1O ZINC000895393939 724108879 /nfs/dbraw/zinc/10/88/79/724108879.db2.gz QDUAARTUMGLMLI-UHFFFAOYSA-N 1 2 326.396 2.688 10 10 EFCELO COCc1ncc2c(n1)CC[N@@H+](Cc1c(O)cc(C)cc1Cl)C2 ZINC000895417284 724125132 /nfs/dbraw/zinc/12/51/32/724125132.db2.gz WHUOYDXMLSFACZ-UHFFFAOYSA-N 1 2 333.819 2.849 10 10 EFCELO COCc1ncc2c(n1)CC[N@H+](Cc1c(O)cc(C)cc1Cl)C2 ZINC000895417284 724125135 /nfs/dbraw/zinc/12/51/35/724125135.db2.gz WHUOYDXMLSFACZ-UHFFFAOYSA-N 1 2 333.819 2.849 10 10 EFCELO Cc1c[nH+]c2cc(C(=O)NCc3ccc4cccnc4c3O)ccn12 ZINC001570533597 1086325340 /nfs/dbraw/zinc/32/53/40/1086325340.db2.gz JKKGQCBQJKCFCA-UHFFFAOYSA-N 1 2 332.363 2.827 10 10 EFCELO C[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2O)C[C@@H]1[NH3+] ZINC000708089375 1092972554 /nfs/dbraw/zinc/97/25/54/1092972554.db2.gz LUKHDKFVVFUBHQ-PELKAZGASA-N 1 2 333.657 2.977 10 10 EFCELO C[C@H]1C[C@H]([NH3+])CN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708089177 1092972684 /nfs/dbraw/zinc/97/26/84/1092972684.db2.gz KKBNKKQOCHHGTL-KWQFWETISA-N 1 2 333.657 2.977 10 10 EFCELO CC[N@H+](CC(=O)NCc1cc(O)ccc1O)Cc1ccccc1Cl ZINC001651225544 1093542009 /nfs/dbraw/zinc/54/20/09/1093542009.db2.gz OBGBHTAXYYUICS-UHFFFAOYSA-N 1 2 348.830 2.890 10 10 EFCELO CC[N@@H+](CC(=O)NCc1cc(O)ccc1O)Cc1ccccc1Cl ZINC001651225544 1093542015 /nfs/dbraw/zinc/54/20/15/1093542015.db2.gz OBGBHTAXYYUICS-UHFFFAOYSA-N 1 2 348.830 2.890 10 10 EFCELO CCOc1ccc(N2CC[NH+]([C@H](C(=O)OC)[C@@H](C)CC)CC2)cc1 ZINC001652964690 1101572342 /nfs/dbraw/zinc/57/23/42/1101572342.db2.gz PMFMXBPWHZOJAN-YJBOKZPZSA-N 1 2 334.460 2.795 10 10 EFCELO COC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177105373 239355967 /nfs/dbraw/zinc/35/59/67/239355967.db2.gz CKCAXPDKJSNNFW-LLVKDONJSA-N 1 2 325.792 2.633 10 10 EFCELO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177105373 239355976 /nfs/dbraw/zinc/35/59/76/239355976.db2.gz CKCAXPDKJSNNFW-LLVKDONJSA-N 1 2 325.792 2.633 10 10 EFCELO C[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000253188924 240308282 /nfs/dbraw/zinc/30/82/82/240308282.db2.gz IGQWJCVHCYVTAM-GOEBONIOSA-N 1 2 348.349 2.551 10 10 EFCELO C[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000253188924 240308293 /nfs/dbraw/zinc/30/82/93/240308293.db2.gz IGQWJCVHCYVTAM-GOEBONIOSA-N 1 2 348.349 2.551 10 10 EFCELO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366108448 242343036 /nfs/dbraw/zinc/34/30/36/242343036.db2.gz ZRRGSZHETOUBPQ-CQSZACIVSA-N 1 2 328.416 2.594 10 10 EFCELO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366108448 242343043 /nfs/dbraw/zinc/34/30/43/242343043.db2.gz ZRRGSZHETOUBPQ-CQSZACIVSA-N 1 2 328.416 2.594 10 10 EFCELO CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)[NH+]2CCOCC2)cc1 ZINC000020603753 212152816 /nfs/dbraw/zinc/15/28/16/212152816.db2.gz HVPFJAFBEQSLSA-SFHVURJKSA-N 1 2 347.503 2.678 10 10 EFCELO [NH3+][C@H](CO)c1cc(Br)c(Cl)c(Br)c1O ZINC000072199935 295331810 /nfs/dbraw/zinc/33/18/10/295331810.db2.gz AISMUWGKTKNKTO-RXMQYKEDSA-N 1 2 345.418 2.563 10 10 EFCELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1cc3c(cc1O)OCO3)C2 ZINC000153036761 278075391 /nfs/dbraw/zinc/07/53/91/278075391.db2.gz DTFYPXKOHIYNEI-UHFFFAOYSA-N 1 2 329.400 2.536 10 10 EFCELO CC(C)c1nc2c(n1C)CC[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000153036761 278075392 /nfs/dbraw/zinc/07/53/92/278075392.db2.gz DTFYPXKOHIYNEI-UHFFFAOYSA-N 1 2 329.400 2.536 10 10 EFCELO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000153036761 278075394 /nfs/dbraw/zinc/07/53/94/278075394.db2.gz DTFYPXKOHIYNEI-UHFFFAOYSA-N 1 2 329.400 2.536 10 10 EFCELO CCCc1noc([C@@H](C)[NH+]2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000044584127 472319888 /nfs/dbraw/zinc/31/98/88/472319888.db2.gz MQTLXHONAMDDRP-CQSZACIVSA-N 1 2 330.432 2.914 10 10 EFCELO COc1ccc([NH+]2CCC(N(C)C(=O)COCC3CC3)CC2)cc1 ZINC000069514849 472361105 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CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H]1n1cccn1 ZINC000816671878 1288239478 /nfs/dbraw/zinc/23/94/78/1288239478.db2.gz JVBBDXZMGHQGEB-RBSFLKMASA-N 1 2 339.798 2.890 10 10 EFCELO COC(=O)[C@H](CC(C)C)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000795932043 1291695153 /nfs/dbraw/zinc/69/51/53/1291695153.db2.gz MGTXNDJJRFCPOV-INIZCTEOSA-N 1 2 338.423 2.544 10 10 EFCELO CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC001197169180 1294472437 /nfs/dbraw/zinc/47/24/37/1294472437.db2.gz WYFCIOZUYCTWNL-MRXNPFEDSA-N 1 2 343.393 2.786 10 10 EFCELO CCN(C)c1ccc(C[N@H+]2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 ZINC001197169180 1294472441 /nfs/dbraw/zinc/47/24/41/1294472441.db2.gz WYFCIOZUYCTWNL-MRXNPFEDSA-N 1 2 343.393 2.786 10 10 EFCELO [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973790 1313521094 /nfs/dbraw/zinc/52/10/94/1313521094.db2.gz HZKVFABJIVAJRV-ZDUSSCGKSA-N 1 2 345.270 2.947 10 10 EFCELO Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2cc3c(cc2O)CCC3)c1 ZINC000853600617 1300186438 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2.864 10 10 EFCELO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862233982 1302316470 /nfs/dbraw/zinc/31/64/70/1302316470.db2.gz ZCMUOQDJPYIBDQ-MRXNPFEDSA-N 1 2 339.430 2.864 10 10 EFCELO C[C@@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(O)c1 ZINC000862432642 1302381981 /nfs/dbraw/zinc/38/19/81/1302381981.db2.gz LTTVQMZRRGCVGI-INIZCTEOSA-N 1 2 325.767 2.888 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCOc3cc(N)ccc3C2)c1O ZINC000866690990 1303750352 /nfs/dbraw/zinc/75/03/52/1303750352.db2.gz CXIKJYDMFIRVOH-UHFFFAOYSA-N 1 2 330.359 2.711 10 10 EFCELO C[C@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1C ZINC000800538717 1308092769 /nfs/dbraw/zinc/09/27/69/1308092769.db2.gz ZWEXKKFBELQXKJ-HNNXBMFYSA-N 1 2 340.423 2.634 10 10 EFCELO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1C ZINC000800538717 1308092774 /nfs/dbraw/zinc/09/27/74/1308092774.db2.gz ZWEXKKFBELQXKJ-HNNXBMFYSA-N 1 2 340.423 2.634 10 10 EFCELO C[C@H]([NH2+]Cc1cn(C)nc1Br)c1c(O)cccc1F ZINC000903188689 1312443540 /nfs/dbraw/zinc/44/35/40/1312443540.db2.gz VZPKUVPPGCZVII-QMMMGPOBSA-N 1 2 328.185 2.878 10 10 EFCELO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)cc(F)c1O ZINC000903260922 1312516131 /nfs/dbraw/zinc/51/61/31/1312516131.db2.gz STAWLLHUXBQZQS-ZNFPMYQNSA-N 1 2 345.212 2.598 10 10 EFCELO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000903327718 1312573369 /nfs/dbraw/zinc/57/33/69/1312573369.db2.gz XWESYVIXLWKTRV-BDJLRTHQSA-N 1 2 327.384 2.771 10 10 EFCELO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC001294284381 1322445789 /nfs/dbraw/zinc/44/57/89/1322445789.db2.gz UGZNIIWUYOYUKC-UHFFFAOYSA-N 1 2 336.395 2.868 10 10 EFCELO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297209656 1323121244 /nfs/dbraw/zinc/12/12/44/1323121244.db2.gz RZKGQTWLQRLPMA-ZDUSSCGKSA-N 1 2 340.387 2.602 10 10 EFCELO O=C(NCc1ccccc1O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001313208992 1325008652 /nfs/dbraw/zinc/00/86/52/1325008652.db2.gz WMEVJUGYZUHKLL-QGZVFWFLSA-N 1 2 336.395 2.829 10 10 EFCELO O=C(NCc1ccccc1O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001313208991 1325008681 /nfs/dbraw/zinc/00/86/81/1325008681.db2.gz WMEVJUGYZUHKLL-KRWDZBQOSA-N 1 2 336.395 2.829 10 10 EFCELO C[N@@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC001324417692 1329625235 /nfs/dbraw/zinc/62/52/35/1329625235.db2.gz OHFOUTYPBNFHNM-CJNGLKHVSA-N 1 2 348.349 2.551 10 10 EFCELO C[N@H+]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC001324417692 1329625238 /nfs/dbraw/zinc/62/52/38/1329625238.db2.gz OHFOUTYPBNFHNM-CJNGLKHVSA-N 1 2 348.349 2.551 10 10 EFCELO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC001324417691 1329625405 /nfs/dbraw/zinc/62/54/05/1329625405.db2.gz OHFOUTYPBNFHNM-BBRMVZONSA-N 1 2 348.349 2.551 10 10 EFCELO C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@@H]1c1ccc(F)cc1 ZINC001324417691 1329625407 /nfs/dbraw/zinc/62/54/07/1329625407.db2.gz OHFOUTYPBNFHNM-BBRMVZONSA-N 1 2 348.349 2.551 10 10 EFCELO COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2nc(C)no2)c1O ZINC000848503550 1334762003 /nfs/dbraw/zinc/76/20/03/1334762003.db2.gz HXDPFROAGJTJRR-UHFFFAOYSA-N 1 2 341.367 2.655 10 10 EFCELO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2nc(C)no2)c1O ZINC000848503550 1334762007 /nfs/dbraw/zinc/76/20/07/1334762007.db2.gz HXDPFROAGJTJRR-UHFFFAOYSA-N 1 2 341.367 2.655 10 10 EFCELO CCC[C@@H](C(=O)OCC)[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001559667173 1415252529 /nfs/dbraw/zinc/25/25/29/1415252529.db2.gz MSPXTNAXZQDWDI-SFHVURJKSA-N 1 2 334.460 2.939 10 10 EFCELO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)cc1C ZINC001566791742 1415776576 /nfs/dbraw/zinc/77/65/76/1415776576.db2.gz OSXULOBCGCCVFU-OBJOEFQTSA-N 1 2 348.340 2.641 10 10 EFCELO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)cc1C ZINC001566791742 1415776581 /nfs/dbraw/zinc/77/65/81/1415776581.db2.gz OSXULOBCGCCVFU-OBJOEFQTSA-N 1 2 348.340 2.641 10 10 EFCELO Cc1cc(O)c(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949427 718500481 /nfs/dbraw/zinc/50/04/81/718500481.db2.gz XHVKZKSGOPFOKI-CQSZACIVSA-N 1 2 337.828 2.972 10 10 EFCELO COC[C@H]1C[N@H+](Cc2cc(C)cc(Br)c2O)C[C@H](C)O1 ZINC000784669277 719390886 /nfs/dbraw/zinc/39/08/86/719390886.db2.gz ZGMPFHHJLUBJFQ-WCQYABFASA-N 1 2 344.249 2.699 10 10 EFCELO COC[C@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@H](C)O1 ZINC000784669277 719390892 /nfs/dbraw/zinc/39/08/92/719390892.db2.gz ZGMPFHHJLUBJFQ-WCQYABFASA-N 1 2 344.249 2.699 10 10 EFCELO CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CO1 ZINC000722502199 719490610 /nfs/dbraw/zinc/49/06/10/719490610.db2.gz JYJYGWUNRZACIJ-LLVKDONJSA-N 1 2 328.796 2.686 10 10 EFCELO CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CO1 ZINC000722502200 719490945 /nfs/dbraw/zinc/49/09/45/719490945.db2.gz JYJYGWUNRZACIJ-NSHDSACASA-N 1 2 328.796 2.686 10 10 EFCELO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000894881017 722937439 /nfs/dbraw/zinc/93/74/39/722937439.db2.gz KHRMNZXBEHLZDJ-RNCFNFMXSA-N 1 2 332.213 2.887 10 10 EFCELO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000894881017 722937438 /nfs/dbraw/zinc/93/74/38/722937438.db2.gz KHRMNZXBEHLZDJ-RNCFNFMXSA-N 1 2 332.213 2.887 10 10 EFCELO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894916006 723027902 /nfs/dbraw/zinc/02/79/02/723027902.db2.gz HPUFUZLCCJELND-JTQLQIEISA-N 1 2 338.320 2.986 10 10 EFCELO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894916006 723027903 /nfs/dbraw/zinc/02/79/03/723027903.db2.gz HPUFUZLCCJELND-JTQLQIEISA-N 1 2 338.320 2.986 10 10 EFCELO OC[C@]12CCC[C@H]1C[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895405569 724118529 /nfs/dbraw/zinc/11/85/29/724118529.db2.gz LHDWUWQLWOAYMB-XHDPSFHLSA-N 1 2 344.224 2.888 10 10 EFCELO OC[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895405569 724118531 /nfs/dbraw/zinc/11/85/31/724118531.db2.gz LHDWUWQLWOAYMB-XHDPSFHLSA-N 1 2 344.224 2.888 10 10 EFCELO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895477995 724154326 /nfs/dbraw/zinc/15/43/26/724154326.db2.gz RSMDYPPHTPPXHX-JTQLQIEISA-N 1 2 332.213 2.887 10 10 EFCELO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895477995 724154329 /nfs/dbraw/zinc/15/43/29/724154329.db2.gz RSMDYPPHTPPXHX-JTQLQIEISA-N 1 2 332.213 2.887 10 10 EFCELO COc1ccc(N2CC[NH+](CC(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000068678574 729741033 /nfs/dbraw/zinc/74/10/33/729741033.db2.gz HQRBWCSKZDXZJU-VQIMIIECSA-N 1 2 345.487 2.512 10 10 EFCELO COC1CCN(c2ccc(C[N@H+](C)Cc3ncccn3)cc2)CC1 ZINC001620536129 1099357435 /nfs/dbraw/zinc/35/74/35/1099357435.db2.gz MKOYSBHXYAPERW-UHFFFAOYSA-N 1 2 326.444 2.724 10 10 EFCELO COC1CCN(c2ccc(C[N@@H+](C)Cc3ncccn3)cc2)CC1 ZINC001620536129 1099357450 /nfs/dbraw/zinc/35/74/50/1099357450.db2.gz MKOYSBHXYAPERW-UHFFFAOYSA-N 1 2 326.444 2.724 10 10 EFCELO CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC001625544896 1099825377 /nfs/dbraw/zinc/82/53/77/1099825377.db2.gz ZBNQECGMEGBTQC-KFKAGJAMSA-N 1 2 347.503 2.819 10 10 EFCELO CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC001625544896 1099825394 /nfs/dbraw/zinc/82/53/94/1099825394.db2.gz ZBNQECGMEGBTQC-KFKAGJAMSA-N 1 2 347.503 2.819 10 10 EFCELO NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC001628174531 1100071448 /nfs/dbraw/zinc/07/14/48/1100071448.db2.gz GHRYBCBCSFUOQV-CQSZACIVSA-N 1 2 326.360 2.523 10 10 EFCELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273216 1100845835 /nfs/dbraw/zinc/84/58/35/1100845835.db2.gz RUQDBMTWVXLRQQ-ZDUSSCGKSA-N 1 2 346.394 2.937 10 10 EFCELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001638273216 1100845841 /nfs/dbraw/zinc/84/58/41/1100845841.db2.gz RUQDBMTWVXLRQQ-ZDUSSCGKSA-N 1 2 346.394 2.937 10 10 EFCELO Oc1ccc(O)c(CNc2[nH+]cnc3c2cnn3-c2ccccc2)c1 ZINC001640350422 1101037946 /nfs/dbraw/zinc/03/79/46/1101037946.db2.gz IKFHCXSMFPXSJF-UHFFFAOYSA-N 1 2 333.351 2.839 10 10 EFCELO COc1ccc(N2CC[NH+](Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000248000647 240287665 /nfs/dbraw/zinc/28/76/65/240287665.db2.gz AMWVRPRIWQAVOQ-UHFFFAOYSA-N 1 2 334.851 2.713 10 10 EFCELO CC[C@@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000366566490 242357446 /nfs/dbraw/zinc/35/74/46/242357446.db2.gz AGYFSIOVQDEFKB-CRAIPNDOSA-N 1 2 337.391 2.504 10 10 EFCELO CC[C@@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@@]2(CCOC2)O1 ZINC000366566490 242357451 /nfs/dbraw/zinc/35/74/51/242357451.db2.gz AGYFSIOVQDEFKB-CRAIPNDOSA-N 1 2 337.391 2.504 10 10 EFCELO COC(=O)C=C1[NH2+]N(c2ccccc2)C([O-])=C1C(C)=[NH+]C1CCCC1 ZINC000101842239 204024496 /nfs/dbraw/zinc/02/44/96/204024496.db2.gz GSSBSBVUFILVBC-QGOAFFKASA-N 1 2 341.411 2.759 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040011 544539877 /nfs/dbraw/zinc/53/98/77/544539877.db2.gz ZEGZERWWGFGIEA-ROUUACIJSA-N 1 2 330.428 2.670 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000092040011 544539884 /nfs/dbraw/zinc/53/98/84/544539884.db2.gz ZEGZERWWGFGIEA-ROUUACIJSA-N 1 2 330.428 2.670 10 10 EFCELO Cc1[nH+]c[nH]c1CSCCNC(=O)C1=Cc2ccccc2OC1 ZINC000015786353 471917147 /nfs/dbraw/zinc/91/71/47/471917147.db2.gz APXDLSQMBQCXCM-UHFFFAOYSA-N 1 2 329.425 2.544 10 10 EFCELO COc1ccc2c(c1O)C[N@@H+]1CCc3cc(OC)c(O)cc3[C@H]1C2 ZINC000028465423 472226920 /nfs/dbraw/zinc/22/69/20/472226920.db2.gz KNWVMRVOBAFFMH-OAHLLOKOSA-N 1 2 327.380 2.771 10 10 in-vitro EFCELO COc1ccc2c(c1O)C[N@H+]1CCc3cc(OC)c(O)cc3[C@H]1C2 ZINC000028465423 472226922 /nfs/dbraw/zinc/22/69/22/472226922.db2.gz KNWVMRVOBAFFMH-OAHLLOKOSA-N 1 2 327.380 2.771 10 10 in-vitro EFCELO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C ZINC000120624514 472720136 /nfs/dbraw/zinc/72/01/36/472720136.db2.gz ZELVSZBTMMVMHK-WDEREUQCSA-N 1 2 333.259 2.586 10 10 EFCELO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1C ZINC000120624514 472720141 /nfs/dbraw/zinc/72/01/41/472720141.db2.gz ZELVSZBTMMVMHK-WDEREUQCSA-N 1 2 333.259 2.586 10 10 EFCELO COc1ccc([NH+]2CCC(NC(=O)NCC[C@H]3CCCO3)CC2)cc1 ZINC000065539024 472971246 /nfs/dbraw/zinc/97/12/46/472971246.db2.gz AUVIVJMGVIEGQR-GOSISDBHSA-N 1 2 347.459 2.532 10 10 EFCELO CCOC(=O)C1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093596096 473122384 /nfs/dbraw/zinc/12/23/84/473122384.db2.gz NOWSHRGCMIGBRT-UHFFFAOYSA-N 1 2 348.226 2.589 10 10 EFCELO Cc1ccc(C[NH+]2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1F ZINC000170597522 473560087 /nfs/dbraw/zinc/56/00/87/473560087.db2.gz IXIYLDGEVMNURP-UHFFFAOYSA-N 1 2 341.430 2.603 10 10 EFCELO C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000127769103 473649294 /nfs/dbraw/zinc/64/92/94/473649294.db2.gz HRHPXCWGZKXENZ-QAPCUYQASA-N 1 2 341.459 2.742 10 10 EFCELO Cc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)nn1 ZINC000180078640 473791959 /nfs/dbraw/zinc/79/19/59/473791959.db2.gz SUOJODMZUTYHGJ-UHFFFAOYSA-N 1 2 332.835 2.856 10 10 EFCELO Cc1ccc(N2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)nn1 ZINC000180078640 473791964 /nfs/dbraw/zinc/79/19/64/473791964.db2.gz SUOJODMZUTYHGJ-UHFFFAOYSA-N 1 2 332.835 2.856 10 10 EFCELO Oc1c(Cl)cccc1C[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000180084194 473793440 /nfs/dbraw/zinc/79/34/40/473793440.db2.gz ZUOQSVJWACVMSX-GOSISDBHSA-N 1 2 346.858 2.897 10 10 EFCELO Cc1noc([C@H](C)N2CC[NH+](Cc3cccc(Cl)c3O)CC2)n1 ZINC000180101464 473799290 /nfs/dbraw/zinc/79/92/90/473799290.db2.gz QXTFJSBKLNHNJV-NSHDSACASA-N 1 2 336.823 2.616 10 10 EFCELO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000180109416 473802561 /nfs/dbraw/zinc/80/25/61/473802561.db2.gz YFOFLUYDLUFLIM-KRWDZBQOSA-N 1 2 347.438 2.672 10 10 EFCELO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000180109416 473802566 /nfs/dbraw/zinc/80/25/66/473802566.db2.gz YFOFLUYDLUFLIM-KRWDZBQOSA-N 1 2 347.438 2.672 10 10 EFCELO C[N@@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217328 473839129 /nfs/dbraw/zinc/83/91/29/473839129.db2.gz IGQWJCVHCYVTAM-HOCLYGCPSA-N 1 2 348.349 2.551 10 10 EFCELO C[N@H+]1CC[C@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217328 473839135 /nfs/dbraw/zinc/83/91/35/473839135.db2.gz IGQWJCVHCYVTAM-HOCLYGCPSA-N 1 2 348.349 2.551 10 10 EFCELO Cc1ccc(N2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)[nH+]c1 ZINC000182497051 474190044 /nfs/dbraw/zinc/19/00/44/474190044.db2.gz SAIXTBIIBPQUMG-UHFFFAOYSA-N 1 2 341.411 2.508 10 10 EFCELO Oc1cc(F)c(Cl)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000293686386 475046623 /nfs/dbraw/zinc/04/66/23/475046623.db2.gz RUNZFVNFQNUYPV-UHFFFAOYSA-N 1 2 335.810 2.898 10 10 EFCELO Oc1cc(F)c(Cl)cc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000293686386 475046629 /nfs/dbraw/zinc/04/66/29/475046629.db2.gz RUNZFVNFQNUYPV-UHFFFAOYSA-N 1 2 335.810 2.898 10 10 EFCELO CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294619588 475075108 /nfs/dbraw/zinc/07/51/08/475075108.db2.gz JCJVAZVNMBFCLX-NSHDSACASA-N 1 2 335.828 2.584 10 10 EFCELO CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294619588 475075114 /nfs/dbraw/zinc/07/51/14/475075114.db2.gz JCJVAZVNMBFCLX-NSHDSACASA-N 1 2 335.828 2.584 10 10 EFCELO O=C(C1CC1)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294813286 475084759 /nfs/dbraw/zinc/08/47/59/475084759.db2.gz WYAOPCDYBLODQP-UHFFFAOYSA-N 1 2 326.799 2.629 10 10 EFCELO O=C(C1CC1)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294813286 475084770 /nfs/dbraw/zinc/08/47/70/475084770.db2.gz WYAOPCDYBLODQP-UHFFFAOYSA-N 1 2 326.799 2.629 10 10 EFCELO Oc1cc(F)c(Cl)cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000294940778 475093144 /nfs/dbraw/zinc/09/31/44/475093144.db2.gz PIOYPIQEHMDPAQ-UHFFFAOYSA-N 1 2 335.810 2.898 10 10 EFCELO Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)(C)CO ZINC000294957402 475093840 /nfs/dbraw/zinc/09/38/40/475093840.db2.gz DMZASLQXZYKHQE-CQSZACIVSA-N 1 2 341.814 2.768 10 10 EFCELO CCCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000294986929 475095604 /nfs/dbraw/zinc/09/56/04/475095604.db2.gz SXYDSMITUGXSGJ-GFCCVEGCSA-N 1 2 349.855 2.974 10 10 EFCELO CCCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000294986929 475095615 /nfs/dbraw/zinc/09/56/15/475095615.db2.gz SXYDSMITUGXSGJ-GFCCVEGCSA-N 1 2 349.855 2.974 10 10 EFCELO CCCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000294986939 475095757 /nfs/dbraw/zinc/09/57/57/475095757.db2.gz SXYDSMITUGXSGJ-LBPRGKRZSA-N 1 2 349.855 2.974 10 10 EFCELO CCCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000294986939 475095769 /nfs/dbraw/zinc/09/57/69/475095769.db2.gz SXYDSMITUGXSGJ-LBPRGKRZSA-N 1 2 349.855 2.974 10 10 EFCELO C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000295233659 475113970 /nfs/dbraw/zinc/11/39/70/475113970.db2.gz DDWSLSYKXCERKR-SECBINFHSA-N 1 2 335.828 2.582 10 10 EFCELO C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000295233659 475113980 /nfs/dbraw/zinc/11/39/80/475113980.db2.gz DDWSLSYKXCERKR-SECBINFHSA-N 1 2 335.828 2.582 10 10 EFCELO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000373736452 476423474 /nfs/dbraw/zinc/42/34/74/476423474.db2.gz BAPMLDJVCLDKMQ-WLTAIBSBSA-N 1 2 329.227 2.785 10 10 EFCELO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000373736452 476423478 /nfs/dbraw/zinc/42/34/78/476423478.db2.gz BAPMLDJVCLDKMQ-WLTAIBSBSA-N 1 2 329.227 2.785 10 10 EFCELO COc1cc(Br)cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000375330918 476783128 /nfs/dbraw/zinc/78/31/28/476783128.db2.gz GWLDZSCNXHPPJC-CQSZACIVSA-N 1 2 342.233 2.774 10 10 EFCELO COc1cc(Br)cc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1O ZINC000375330918 476783132 /nfs/dbraw/zinc/78/31/32/476783132.db2.gz GWLDZSCNXHPPJC-CQSZACIVSA-N 1 2 342.233 2.774 10 10 EFCELO CC1([NH+]2CCOCC2)CCN(Cc2cc(Cl)c(F)cc2O)CC1 ZINC000529662461 479237510 /nfs/dbraw/zinc/23/75/10/479237510.db2.gz GUAUTAOYLXXLPZ-UHFFFAOYSA-N 1 2 342.842 2.871 10 10 EFCELO CC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000529662461 479237516 /nfs/dbraw/zinc/23/75/16/479237516.db2.gz GUAUTAOYLXXLPZ-UHFFFAOYSA-N 1 2 342.842 2.871 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1O ZINC000176986060 527207273 /nfs/dbraw/zinc/20/72/73/527207273.db2.gz GEUJXNWELSLBSJ-UHFFFAOYSA-N 1 2 338.835 2.548 10 10 EFCELO COc1ccc(N2CCN(c3nc(C)[nH+]c4c3CCCC4)CC2)cc1 ZINC000302035512 536701847 /nfs/dbraw/zinc/70/18/47/536701847.db2.gz FHEVYZDYAMZGCM-UHFFFAOYSA-N 1 2 338.455 2.999 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000280046642 545651244 /nfs/dbraw/zinc/65/12/44/545651244.db2.gz XEWKYZAVXPHKMG-INIZCTEOSA-N 1 2 344.377 2.763 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCO[C@@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000280046642 545651250 /nfs/dbraw/zinc/65/12/50/545651250.db2.gz XEWKYZAVXPHKMG-INIZCTEOSA-N 1 2 344.377 2.763 10 10 EFCELO CC[S@](=O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756573349 575764542 /nfs/dbraw/zinc/76/45/42/575764542.db2.gz AMZZVTSMXJOGRT-ASCAZGACSA-N 1 2 338.242 2.713 10 10 EFCELO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000756596489 575766605 /nfs/dbraw/zinc/76/66/05/575766605.db2.gz DRQFLGKUKRFKTJ-ZDUSSCGKSA-N 1 2 331.416 2.882 10 10 EFCELO C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1O ZINC000756616015 575767962 /nfs/dbraw/zinc/76/79/62/575767962.db2.gz YLDFZVBDITZQLO-YPMHNXCESA-N 1 2 336.386 2.724 10 10 EFCELO C[C@@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)cc(Cl)c1O ZINC000757655231 575847822 /nfs/dbraw/zinc/84/78/22/575847822.db2.gz IUDWRIBEIWKCTL-SSDOTTSWSA-N 1 2 345.628 2.787 10 10 EFCELO C[C@H]([NH2+]CCCn1ccnn1)c1cc(Br)c(F)cc1O ZINC000757658736 575848196 /nfs/dbraw/zinc/84/81/96/575848196.db2.gz SSMMSANKVBNRGO-VIFPVBQESA-N 1 2 343.200 2.626 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[S@](=O)C[C@H](C)C2)c1 ZINC000763646704 576383770 /nfs/dbraw/zinc/38/37/70/576383770.db2.gz AFDSTXWCDCSBAC-WYRIXSBYSA-N 1 2 346.290 2.664 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[S@](=O)C[C@H](C)C2)c1 ZINC000763646704 576383772 /nfs/dbraw/zinc/38/37/72/576383772.db2.gz AFDSTXWCDCSBAC-WYRIXSBYSA-N 1 2 346.290 2.664 10 10 EFCELO C[N@@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419945 577040534 /nfs/dbraw/zinc/04/05/34/577040534.db2.gz YZOOYSYTLQPHAY-UKRRQHHQSA-N 1 2 338.379 2.907 10 10 EFCELO C[N@H+]1CC[C@@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419945 577040535 /nfs/dbraw/zinc/04/05/35/577040535.db2.gz YZOOYSYTLQPHAY-UKRRQHHQSA-N 1 2 338.379 2.907 10 10 EFCELO CN(C)c1ccc(C[N@H+](Cc2nnnn2C(C)(C)C)C2CC2)cc1 ZINC000766109262 577109586 /nfs/dbraw/zinc/10/95/86/577109586.db2.gz JHKUIUSMLYQWSZ-UHFFFAOYSA-N 1 2 328.464 2.659 10 10 EFCELO CN(C)c1ccc(C[N@@H+](Cc2nnnn2C(C)(C)C)C2CC2)cc1 ZINC000766109262 577109588 /nfs/dbraw/zinc/10/95/88/577109588.db2.gz JHKUIUSMLYQWSZ-UHFFFAOYSA-N 1 2 328.464 2.659 10 10 EFCELO C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000769499465 577367501 /nfs/dbraw/zinc/36/75/01/577367501.db2.gz YPONLTPSSOBKBG-CJNGLKHVSA-N 1 2 344.377 2.675 10 10 EFCELO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000769499465 577367504 /nfs/dbraw/zinc/36/75/04/577367504.db2.gz YPONLTPSSOBKBG-CJNGLKHVSA-N 1 2 344.377 2.675 10 10 EFCELO COc1cc(C)cc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000771637454 581229224 /nfs/dbraw/zinc/22/92/24/581229224.db2.gz YUJUCJLVHWXADJ-MRXNPFEDSA-N 1 2 345.443 2.633 10 10 EFCELO COc1cc(C)cc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c1O ZINC000771637454 581229226 /nfs/dbraw/zinc/22/92/26/581229226.db2.gz YUJUCJLVHWXADJ-MRXNPFEDSA-N 1 2 345.443 2.633 10 10 EFCELO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccc(N2CCOCC2)cc1Cl ZINC000773133754 581399566 /nfs/dbraw/zinc/39/95/66/581399566.db2.gz UAEGBKACLVNKDC-ZDUSSCGKSA-N 1 2 334.851 2.761 10 10 EFCELO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2O)C1 ZINC000850503819 1250513888 /nfs/dbraw/zinc/51/38/88/1250513888.db2.gz ZANBBENJNSNIFD-DDFXLWFNSA-N 1 2 329.387 2.887 10 10 EFCELO CC[C@@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000850514747 1250518755 /nfs/dbraw/zinc/51/87/55/1250518755.db2.gz QEHNJQGWZZLTKA-LLVKDONJSA-N 1 2 344.337 2.916 10 10 EFCELO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1c(F)cccc1F ZINC000734847919 1267129842 /nfs/dbraw/zinc/12/98/42/1267129842.db2.gz YKOQDGCKKYGCMI-SFHVURJKSA-N 1 2 348.393 2.625 10 10 EFCELO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123659 1278418917 /nfs/dbraw/zinc/41/89/17/1278418917.db2.gz BKMUKUIYIQBUQA-JMCQJSRRSA-N 1 2 327.705 2.930 10 10 EFCELO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825123659 1278418923 /nfs/dbraw/zinc/41/89/23/1278418923.db2.gz BKMUKUIYIQBUQA-JMCQJSRRSA-N 1 2 327.705 2.930 10 10 EFCELO COc1ccc(O)c(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1 ZINC000738918611 1268599563 /nfs/dbraw/zinc/59/95/63/1268599563.db2.gz DAJHKYHZIISEOV-UHFFFAOYSA-N 1 2 326.356 2.679 10 10 EFCELO Cn1cc[nH+]c1C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000743755927 1270740217 /nfs/dbraw/zinc/74/02/17/1270740217.db2.gz AMZKLJAKFASWRJ-CQSZACIVSA-N 1 2 327.409 2.901 10 10 EFCELO NC(=O)C[N@@H+]1CCc2ccc(NCc3cccc(Cl)c3O)cc2C1 ZINC000789768447 1276973107 /nfs/dbraw/zinc/97/31/07/1276973107.db2.gz HKXAGTZEHKDLSQ-UHFFFAOYSA-N 1 2 345.830 2.501 10 10 EFCELO NC(=O)C[N@H+]1CCc2ccc(NCc3cccc(Cl)c3O)cc2C1 ZINC000789768447 1276973110 /nfs/dbraw/zinc/97/31/10/1276973110.db2.gz HKXAGTZEHKDLSQ-UHFFFAOYSA-N 1 2 345.830 2.501 10 10 EFCELO Cn1cc[nH+]c1C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790809446 1277760306 /nfs/dbraw/zinc/76/03/06/1277760306.db2.gz VYKCPBFOAUBVGX-OAHLLOKOSA-N 1 2 337.379 2.545 10 10 EFCELO CCN(CC)c1ccc(C[N@H+](CCO)Cc2ccnn2CC)cc1F ZINC000793308653 1279521694 /nfs/dbraw/zinc/52/16/94/1279521694.db2.gz VUMGFHSRYGJLLO-UHFFFAOYSA-N 1 2 348.466 2.883 10 10 EFCELO CCN(CC)c1ccc(C[N@@H+](CCO)Cc2ccnn2CC)cc1F ZINC000793308653 1279521702 /nfs/dbraw/zinc/52/17/02/1279521702.db2.gz VUMGFHSRYGJLLO-UHFFFAOYSA-N 1 2 348.466 2.883 10 10 EFCELO CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000793366144 1279577059 /nfs/dbraw/zinc/57/70/59/1279577059.db2.gz QTTVEYCITRVZGS-INIZCTEOSA-N 1 2 329.799 2.955 10 10 EFCELO CC1(C)C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000793366144 1279577069 /nfs/dbraw/zinc/57/70/69/1279577069.db2.gz QTTVEYCITRVZGS-INIZCTEOSA-N 1 2 329.799 2.955 10 10 EFCELO C[C@H](CC(=O)NCc1cc(Br)ccc1O)n1cc[nH+]c1 ZINC000846138290 1280050120 /nfs/dbraw/zinc/05/01/20/1280050120.db2.gz AORQSZPSKUCLLK-SNVBAGLBSA-N 1 2 338.205 2.619 10 10 EFCELO O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)c1c(F)ccc(O)c1O ZINC000846655623 1280370794 /nfs/dbraw/zinc/37/07/94/1280370794.db2.gz REEPFMUMWHOLJF-HAQNSBGRSA-N 1 2 345.374 2.785 10 10 EFCELO Fc1cc(C[NH2+]Cc2noc3c2CCCC3)ccc1N1CCOCC1 ZINC000808437278 1281710447 /nfs/dbraw/zinc/71/04/47/1281710447.db2.gz KNQNFDIHBUPSMY-UHFFFAOYSA-N 1 2 345.418 2.819 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000715804913 1284367791 /nfs/dbraw/zinc/36/77/91/1284367791.db2.gz SJAUILZDQNDPQZ-KOLCDFICSA-N 1 2 330.197 2.762 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000715804913 1284367799 /nfs/dbraw/zinc/36/77/99/1284367799.db2.gz SJAUILZDQNDPQZ-KOLCDFICSA-N 1 2 330.197 2.762 10 10 EFCELO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCn3cncc3C2)c1O ZINC000811787726 1284650461 /nfs/dbraw/zinc/65/04/61/1284650461.db2.gz QBSCRQJUDRWTPJ-UHFFFAOYSA-N 1 2 337.379 2.544 10 10 EFCELO COC(=O)c1cc2ccccc2c(C[N@H+]2CCn3cncc3C2)c1O ZINC000811787726 1284650468 /nfs/dbraw/zinc/65/04/68/1284650468.db2.gz QBSCRQJUDRWTPJ-UHFFFAOYSA-N 1 2 337.379 2.544 10 10 EFCELO Cc1c(Cl)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)nn1C ZINC000817406959 1288586500 /nfs/dbraw/zinc/58/65/00/1288586500.db2.gz AARCKKXFQDSKLN-UHFFFAOYSA-N 1 2 334.851 2.508 10 10 EFCELO COc1c(O)c(C[N@@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000828013995 1289668310 /nfs/dbraw/zinc/66/83/10/1289668310.db2.gz QHMAGSDBVVZVJB-UHFFFAOYSA-N 1 2 346.387 2.617 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC000880047589 1292346037 /nfs/dbraw/zinc/34/60/37/1292346037.db2.gz VDXZAQVFYGWNGC-CYBMUJFWSA-N 1 2 335.297 2.887 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1O ZINC000880047589 1292346048 /nfs/dbraw/zinc/34/60/48/1292346048.db2.gz VDXZAQVFYGWNGC-CYBMUJFWSA-N 1 2 335.297 2.887 10 10 EFCELO Cc1cc(Cl)cc(C[NH+]2CCN(CCOC(C)C)CC2)c1O ZINC000775712159 1294210355 /nfs/dbraw/zinc/21/03/55/1294210355.db2.gz DRSPBPWDMGYGFK-UHFFFAOYSA-N 1 2 326.868 2.897 10 10 EFCELO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748319 1294388520 /nfs/dbraw/zinc/38/85/20/1294388520.db2.gz UTRLRFKMZODPEA-IINYFYTJSA-N 1 2 326.799 2.675 10 10 EFCELO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748319 1294388527 /nfs/dbraw/zinc/38/85/27/1294388527.db2.gz UTRLRFKMZODPEA-IINYFYTJSA-N 1 2 326.799 2.675 10 10 EFCELO COc1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)c(O)c1 ZINC000162867393 1313181549 /nfs/dbraw/zinc/18/15/49/1313181549.db2.gz QTUUAKIPMRJMRA-UHFFFAOYSA-N 1 2 342.439 2.597 10 10 EFCELO Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000852537464 1299745308 /nfs/dbraw/zinc/74/53/08/1299745308.db2.gz DWTXKDXAWBPBHG-MGPUTAFESA-N 1 2 342.414 2.873 10 10 EFCELO Cc1cc(C(=O)C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000852537464 1299745315 /nfs/dbraw/zinc/74/53/15/1299745315.db2.gz DWTXKDXAWBPBHG-MGPUTAFESA-N 1 2 342.414 2.873 10 10 EFCELO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1cccc(OC)c1O)CC2 ZINC000862468260 1302393280 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Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000802659909 1311895208 /nfs/dbraw/zinc/89/52/08/1311895208.db2.gz PGUHHKIOLMJBLN-MEDUHNTESA-N 1 2 343.826 2.842 10 10 EFCELO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nc(CN(C)C)cs2)c1 ZINC000903223244 1312477170 /nfs/dbraw/zinc/47/71/70/1312477170.db2.gz YOSDRPHWPVSIPC-LLVKDONJSA-N 1 2 349.456 2.548 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724842036 1317364697 /nfs/dbraw/zinc/36/46/97/1317364697.db2.gz KGMBBOBOXLUIHQ-ZANVPECISA-N 1 2 330.197 2.905 10 10 EFCELO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724842036 1317364706 /nfs/dbraw/zinc/36/47/06/1317364706.db2.gz KGMBBOBOXLUIHQ-ZANVPECISA-N 1 2 330.197 2.905 10 10 EFCELO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001297209655 1323121418 /nfs/dbraw/zinc/12/14/18/1323121418.db2.gz RZKGQTWLQRLPMA-CYBMUJFWSA-N 1 2 340.387 2.602 10 10 EFCELO CCCc1ncc(CNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001344076125 1332401125 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Cc1cc(O)c(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c(Cl)c1 ZINC000840949424 718500496 /nfs/dbraw/zinc/50/04/96/718500496.db2.gz XHVKZKSGOPFOKI-AWEZNQCLSA-N 1 2 337.828 2.972 10 10 EFCELO CC(C)[N@@H+](Cc1cccc(Br)c1O)C[C@H]1CCC(=O)N1 ZINC000840977133 720007409 /nfs/dbraw/zinc/00/74/09/720007409.db2.gz SDRAJAPXIROIAG-GFCCVEGCSA-N 1 2 341.249 2.644 10 10 EFCELO CC(C)[N@H+](Cc1cccc(Br)c1O)C[C@H]1CCC(=O)N1 ZINC000840977133 720007410 /nfs/dbraw/zinc/00/74/10/720007410.db2.gz SDRAJAPXIROIAG-GFCCVEGCSA-N 1 2 341.249 2.644 10 10 EFCELO COC(=O)c1c(C[NH2+]Cc2nccs2)c2cc(F)ccc2n1C ZINC000894199981 721193496 /nfs/dbraw/zinc/19/34/96/721193496.db2.gz ODOFWUQOZNCDOZ-UHFFFAOYSA-N 1 2 333.388 2.850 10 10 EFCELO OC[C@]1(F)C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC000894881449 722937427 /nfs/dbraw/zinc/93/74/27/722937427.db2.gz PHPDZLXOOVMZQF-CRAIPNDOSA-N 1 2 337.341 2.970 10 10 EFCELO C[C@H]1CN(CC(F)(F)F)CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894916008 723027927 /nfs/dbraw/zinc/02/79/27/723027927.db2.gz HPUFUZLCCJELND-SNVBAGLBSA-N 1 2 338.320 2.986 10 10 EFCELO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894916008 723027928 /nfs/dbraw/zinc/02/79/28/723027928.db2.gz HPUFUZLCCJELND-SNVBAGLBSA-N 1 2 338.320 2.986 10 10 EFCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(n2cc[nH+]c2)CC1 ZINC000896010472 723093122 /nfs/dbraw/zinc/09/31/22/723093122.db2.gz QPNJTQPUFCNTKD-UHFFFAOYSA-N 1 2 343.408 2.986 10 10 EFCELO COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccc(F)c(F)c1O ZINC000895634272 724228354 /nfs/dbraw/zinc/22/83/54/724228354.db2.gz KUTGWUZVQQAJLK-GOSISDBHSA-N 1 2 335.350 2.603 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895677482 724248814 /nfs/dbraw/zinc/24/88/14/724248814.db2.gz MEXFWIDKUAUQFY-MRVPVSSYSA-N 1 2 337.647 2.833 10 10 EFCELO OC[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895836303 724343354 /nfs/dbraw/zinc/34/33/54/724343354.db2.gz KZWDXGUQGDUPJN-LBPRGKRZSA-N 1 2 327.705 2.931 10 10 EFCELO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000895836303 724343358 /nfs/dbraw/zinc/34/33/58/724343358.db2.gz KZWDXGUQGDUPJN-LBPRGKRZSA-N 1 2 327.705 2.931 10 10 EFCELO CCCn1cc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cn1 ZINC000180550542 729760194 /nfs/dbraw/zinc/76/01/94/729760194.db2.gz FQBXOXSEGCJVTQ-UHFFFAOYSA-N 1 2 332.423 2.763 10 10 EFCELO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC001595685397 1094485574 /nfs/dbraw/zinc/48/55/74/1094485574.db2.gz YIUWQUNOXUUYGC-UHFFFAOYSA-N 1 2 336.395 2.533 10 10 EFCELO COc1ccc(N(C)CC[N@H+](C)CC(=O)OCc2ccccc2)cc1 ZINC001654113761 1101684480 /nfs/dbraw/zinc/68/44/80/1101684480.db2.gz ADQYMCGGFBFCBZ-UHFFFAOYSA-N 1 2 342.439 2.807 10 10 EFCELO COc1ccc(N(C)CC[N@@H+](C)CC(=O)OCc2ccccc2)cc1 ZINC001654113761 1101684484 /nfs/dbraw/zinc/68/44/84/1101684484.db2.gz ADQYMCGGFBFCBZ-UHFFFAOYSA-N 1 2 342.439 2.807 10 10 EFCELO CO[C@H](C)c1noc(C[N@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000748092273 1101739463 /nfs/dbraw/zinc/73/94/63/1101739463.db2.gz CNVOQTDCPCOOFH-LLVKDONJSA-N 1 2 328.372 2.663 10 10 EFCELO CO[C@H](C)c1noc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000748092273 1101739472 /nfs/dbraw/zinc/73/94/72/1101739472.db2.gz CNVOQTDCPCOOFH-LLVKDONJSA-N 1 2 328.372 2.663 10 10 EFCELO COc1ccc([NH+]2CCC(N(C)C(=O)c3cccnc3)CC2)cc1 ZINC000069379720 215394487 /nfs/dbraw/zinc/39/44/87/215394487.db2.gz MZJNLDOOFJCROQ-UHFFFAOYSA-N 1 2 325.412 2.831 10 10 EFCELO C[C@H]([NH2+]C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1O ZINC000191203844 299273246 /nfs/dbraw/zinc/27/32/46/299273246.db2.gz OXJKQVVDMHFHPT-NSHDSACASA-N 1 2 334.370 2.780 10 10 EFCELO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cocn1 ZINC000192288254 240038057 /nfs/dbraw/zinc/03/80/57/240038057.db2.gz LNKCGOXKDVFUQJ-UHFFFAOYSA-N 1 2 341.333 2.820 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246863250 240274484 /nfs/dbraw/zinc/27/44/84/240274484.db2.gz QUCICMNQVOKIJG-DJIMGWMZSA-N 1 2 337.391 2.502 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246863250 240274489 /nfs/dbraw/zinc/27/44/89/240274489.db2.gz QUCICMNQVOKIJG-DJIMGWMZSA-N 1 2 337.391 2.502 10 10 EFCELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000248806894 240295294 /nfs/dbraw/zinc/29/52/94/240295294.db2.gz GYVIZCKLAPHNDM-WPGHFRTFSA-N 1 2 335.375 2.507 10 10 EFCELO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)no1 ZINC000290939273 241024555 /nfs/dbraw/zinc/02/45/55/241024555.db2.gz PSHHWBWKZXTIBN-SECBINFHSA-N 1 2 341.795 2.825 10 10 EFCELO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000294285171 241038341 /nfs/dbraw/zinc/03/83/41/241038341.db2.gz PAZLJIMQRFZWDA-QMMMGPOBSA-N 1 2 329.759 2.907 10 10 EFCELO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000294285171 241038351 /nfs/dbraw/zinc/03/83/51/241038351.db2.gz PAZLJIMQRFZWDA-QMMMGPOBSA-N 1 2 329.759 2.907 10 10 EFCELO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000294481195 241046572 /nfs/dbraw/zinc/04/65/72/241046572.db2.gz ANZHGMZQZKWDCI-UHFFFAOYSA-N 1 2 327.812 2.819 10 10 EFCELO COc1cc(O)c(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)cc1OC ZINC000365681711 242330437 /nfs/dbraw/zinc/33/04/37/242330437.db2.gz UEJBLXBXOYGRLB-UHFFFAOYSA-N 1 2 349.814 2.766 10 10 EFCELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000366532617 242354832 /nfs/dbraw/zinc/35/48/32/242354832.db2.gz DXCVRXAWKGMDHZ-LLVKDONJSA-N 1 2 349.855 2.974 10 10 EFCELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000366532617 242354839 /nfs/dbraw/zinc/35/48/39/242354839.db2.gz DXCVRXAWKGMDHZ-LLVKDONJSA-N 1 2 349.855 2.974 10 10 EFCELO CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)[NH+]2CCOCC2)cc1 ZINC000020603750 212152888 /nfs/dbraw/zinc/15/28/88/212152888.db2.gz HVPFJAFBEQSLSA-GOSISDBHSA-N 1 2 347.503 2.678 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158265359 533432948 /nfs/dbraw/zinc/43/29/48/533432948.db2.gz QUCICMNQVOKIJG-PVAVHDDUSA-N 1 2 337.391 2.502 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158265359 533432955 /nfs/dbraw/zinc/43/29/55/533432955.db2.gz QUCICMNQVOKIJG-PVAVHDDUSA-N 1 2 337.391 2.502 10 10 EFCELO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273595044 277629621 /nfs/dbraw/zinc/62/96/21/277629621.db2.gz QEERVDDFQFGCBF-MLGOLLRUSA-N 1 2 341.367 2.757 10 10 EFCELO CCCN(CCC)c1ccc(C[N@H+](C)CCS(C)(=O)=O)cc1 ZINC000155190716 472517768 /nfs/dbraw/zinc/51/77/68/472517768.db2.gz UDFZYIARZVTJMT-UHFFFAOYSA-N 1 2 326.506 2.789 10 10 EFCELO CCCN(CCC)c1ccc(C[N@@H+](C)CCS(C)(=O)=O)cc1 ZINC000155190716 472517775 /nfs/dbraw/zinc/51/77/75/472517775.db2.gz UDFZYIARZVTJMT-UHFFFAOYSA-N 1 2 326.506 2.789 10 10 EFCELO Cc1[nH]ncc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000071819615 472572206 /nfs/dbraw/zinc/57/22/06/472572206.db2.gz CMPQOCYJEOXQHU-BETUJISGSA-N 1 2 332.423 2.761 10 10 EFCELO Oc1ccc(Br)cc1C[NH+]1CCN(CC(F)F)CC1 ZINC000092586398 472940317 /nfs/dbraw/zinc/94/03/17/472940317.db2.gz BSWPVDBSQHCWRW-UHFFFAOYSA-N 1 2 335.192 2.537 10 10 EFCELO 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CCc1nnc([C@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000183416451 474378557 /nfs/dbraw/zinc/37/85/57/474378557.db2.gz ITJFYCOBDAEOOJ-CYBMUJFWSA-N 1 2 336.823 2.608 10 10 EFCELO CCc1nnc([C@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000183416451 474378560 /nfs/dbraw/zinc/37/85/60/474378560.db2.gz ITJFYCOBDAEOOJ-CYBMUJFWSA-N 1 2 336.823 2.608 10 10 EFCELO CN1CCCc2cc(CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)ccc21 ZINC000271300326 474482059 /nfs/dbraw/zinc/48/20/59/474482059.db2.gz IHBQVEMEPIAMKI-UHFFFAOYSA-N 1 2 347.422 2.580 10 10 EFCELO CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000284169697 474586925 /nfs/dbraw/zinc/58/69/25/474586925.db2.gz WWIZNRLJRZONTO-DGCLKSJQSA-N 1 2 336.259 2.947 10 10 EFCELO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273374894 474866155 /nfs/dbraw/zinc/86/61/55/474866155.db2.gz HAWKAINKXPEAMZ-MEDUHNTESA-N 1 2 332.356 2.693 10 10 EFCELO O=C1C[N@@H+](Cc2c(O)ccc3ccccc32)CCN1CC(F)(F)F ZINC000285099863 474891933 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CC(C)C(=O)N1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295340984 475121672 /nfs/dbraw/zinc/12/16/72/475121672.db2.gz MQJKGYXHIJCQGK-UHFFFAOYSA-N 1 2 328.815 2.875 10 10 EFCELO CC(C)C(=O)N1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295340984 475121680 /nfs/dbraw/zinc/12/16/80/475121680.db2.gz MQJKGYXHIJCQGK-UHFFFAOYSA-N 1 2 328.815 2.875 10 10 EFCELO Cc1cc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1N(C)C ZINC000292686823 475152719 /nfs/dbraw/zinc/15/27/19/475152719.db2.gz CDVDJZJJQJYEAH-IEBWSBKVSA-N 1 2 344.455 2.979 10 10 EFCELO Cc1cc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccco2)ccc1N(C)C ZINC000292686823 475152726 /nfs/dbraw/zinc/15/27/26/475152726.db2.gz CDVDJZJJQJYEAH-IEBWSBKVSA-N 1 2 344.455 2.979 10 10 EFCELO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000378366088 476702477 /nfs/dbraw/zinc/70/24/77/476702477.db2.gz AEJGSNXZKLDMKF-INIZCTEOSA-N 1 2 331.416 2.704 10 10 EFCELO CCOc1ccc(O)c(C[N@H+]2CCOC[C@H]2c2c(C)n[nH]c2C)c1 ZINC000378366088 476702484 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COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000754729768 575479226 /nfs/dbraw/zinc/47/92/26/575479226.db2.gz GAJARLQSGZIDFZ-OAHLLOKOSA-N 1 2 345.399 2.543 10 10 EFCELO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000754729768 575479228 /nfs/dbraw/zinc/47/92/28/575479228.db2.gz GAJARLQSGZIDFZ-OAHLLOKOSA-N 1 2 345.399 2.543 10 10 EFCELO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Br)c(F)cc1O ZINC000756593412 575766293 /nfs/dbraw/zinc/76/62/93/575766293.db2.gz JQDPDGDELCURRL-IUCAKERBSA-N 1 2 345.212 2.565 10 10 EFCELO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)c(F)cc1O ZINC000756777266 575786108 /nfs/dbraw/zinc/78/61/08/575786108.db2.gz HLDNHBINNAEEBU-QMMMGPOBSA-N 1 2 328.185 2.878 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[S@@](=O)C[C@@H](C)C2)c1 ZINC000763646698 576383835 /nfs/dbraw/zinc/38/38/35/576383835.db2.gz AFDSTXWCDCSBAC-JEOXALJRSA-N 1 2 346.290 2.664 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)[S@@](=O)CC2)c1 ZINC000763488692 576378943 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EFCELO C[N@H+](Cc1cccc(Br)c1O)[C@H]1CCN(C2CC2)C1 ZINC000769325955 577352221 /nfs/dbraw/zinc/35/22/21/577352221.db2.gz DUXRVJHXLGMKKK-ZDUSSCGKSA-N 1 2 325.250 2.823 10 10 EFCELO C[N@@H+](Cc1cccc(Br)c1O)[C@H]1CCN(C2CC2)C1 ZINC000769325955 577352222 /nfs/dbraw/zinc/35/22/22/577352222.db2.gz DUXRVJHXLGMKKK-ZDUSSCGKSA-N 1 2 325.250 2.823 10 10 EFCELO CN(Cc1cccc(Br)c1O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769325955 577352223 /nfs/dbraw/zinc/35/22/23/577352223.db2.gz DUXRVJHXLGMKKK-ZDUSSCGKSA-N 1 2 325.250 2.823 10 10 EFCELO CN(Cc1cccc(Br)c1O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000769325955 577352224 /nfs/dbraw/zinc/35/22/24/577352224.db2.gz DUXRVJHXLGMKKK-ZDUSSCGKSA-N 1 2 325.250 2.823 10 10 EFCELO C[C@@H]1CCOCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1O ZINC000774650949 581496469 /nfs/dbraw/zinc/49/64/69/581496469.db2.gz SRKQLGHXBDLQSY-CQSZACIVSA-N 1 2 341.407 2.940 10 10 EFCELO C[C@@H]1CCOCC[N@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1O ZINC000774650949 581496470 /nfs/dbraw/zinc/49/64/70/581496470.db2.gz SRKQLGHXBDLQSY-CQSZACIVSA-N 1 2 341.407 2.940 10 10 EFCELO CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1O ZINC000781897740 1249551052 /nfs/dbraw/zinc/55/10/52/1249551052.db2.gz SNNMFIIMOOMXEJ-CYBMUJFWSA-N 1 2 341.249 2.564 10 10 EFCELO Oc1ccc(Br)cc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000843418067 1260250480 /nfs/dbraw/zinc/25/04/80/1260250480.db2.gz PKFCEAWUDHPOKJ-CQSZACIVSA-N 1 2 344.274 2.863 10 10 EFCELO Oc1ccc(Br)cc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000843418067 1260250489 /nfs/dbraw/zinc/25/04/89/1260250489.db2.gz PKFCEAWUDHPOKJ-CQSZACIVSA-N 1 2 344.274 2.863 10 10 EFCELO Cn1cc(Br)c(C[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000824783878 1278307384 /nfs/dbraw/zinc/30/73/84/1278307384.db2.gz WHGWDJQLPIIWIY-UHFFFAOYSA-N 1 2 348.603 2.971 10 10 EFCELO COC(=O)COc1ccc([N@H+](C)C[Si](C)(C)c2ccccc2)cc1 ZINC001169187039 1272728712 /nfs/dbraw/zinc/72/87/12/1272728712.db2.gz BONFJOPOAIJHAV-UHFFFAOYSA-N 1 2 343.499 2.829 10 10 EFCELO COC(=O)COc1ccc([N@@H+](C)C[Si](C)(C)c2ccccc2)cc1 ZINC001169187039 1272728724 /nfs/dbraw/zinc/72/87/24/1272728724.db2.gz BONFJOPOAIJHAV-UHFFFAOYSA-N 1 2 343.499 2.829 10 10 EFCELO C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969705 1276411914 /nfs/dbraw/zinc/41/19/14/1276411914.db2.gz YFOFFGCUZGKGNC-ZDMBXUJBSA-N 1 2 331.229 2.942 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000793361764 1279569990 /nfs/dbraw/zinc/56/99/90/1279569990.db2.gz PWIRPNFYIVNJTM-XJKSGUPXSA-N 1 2 329.799 2.955 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@@]2(CCOC2)O1 ZINC000793361764 1279569994 /nfs/dbraw/zinc/56/99/94/1279569994.db2.gz PWIRPNFYIVNJTM-XJKSGUPXSA-N 1 2 329.799 2.955 10 10 EFCELO CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000808095257 1281534833 /nfs/dbraw/zinc/53/48/33/1281534833.db2.gz BEIWEOZBVHPLRY-UHFFFAOYSA-N 1 2 342.395 2.994 10 10 EFCELO COc1ncccc1CC[NH2+]Cc1cccc(Br)c1O ZINC000810178768 1283007955 /nfs/dbraw/zinc/00/79/55/1283007955.db2.gz ZTCIZEHPSHHHCU-UHFFFAOYSA-N 1 2 337.217 2.891 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000816596880 1288219234 /nfs/dbraw/zinc/21/92/34/1288219234.db2.gz VLTFSTWJOYMOTD-LRDDRELGSA-N 1 2 329.799 2.955 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000816596880 1288219236 /nfs/dbraw/zinc/21/92/36/1288219236.db2.gz VLTFSTWJOYMOTD-LRDDRELGSA-N 1 2 329.799 2.955 10 10 EFCELO Oc1ccccc1C[N@@H+](Cc1cn(C2CCC2)nn1)C[C@@H]1CCCO1 ZINC000824507720 1289693566 /nfs/dbraw/zinc/69/35/66/1289693566.db2.gz MEFZHMCRAQDSPX-SFHVURJKSA-N 1 2 342.443 2.890 10 10 EFCELO Oc1ccccc1C[N@H+](Cc1cn(C2CCC2)nn1)C[C@@H]1CCCO1 ZINC000824507720 1289693578 /nfs/dbraw/zinc/69/35/78/1289693578.db2.gz MEFZHMCRAQDSPX-SFHVURJKSA-N 1 2 342.443 2.890 10 10 EFCELO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748321 1294389808 /nfs/dbraw/zinc/38/98/08/1294389808.db2.gz UTRLRFKMZODPEA-YGRLFVJLSA-N 1 2 326.799 2.675 10 10 EFCELO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748321 1294389811 /nfs/dbraw/zinc/38/98/11/1294389811.db2.gz UTRLRFKMZODPEA-YGRLFVJLSA-N 1 2 326.799 2.675 10 10 EFCELO COc1nscc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001198122313 1294908070 /nfs/dbraw/zinc/90/80/70/1294908070.db2.gz FTHRZAHOPMVCGH-UHFFFAOYSA-N 1 2 333.457 2.620 10 10 EFCELO COc1nscc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001198122313 1294908079 /nfs/dbraw/zinc/90/80/79/1294908079.db2.gz FTHRZAHOPMVCGH-UHFFFAOYSA-N 1 2 333.457 2.620 10 10 EFCELO COc1ccc(N2CC[NH+]([C@H](C)c3snnc3C)CC2)c(OC)c1 ZINC000931530710 1297351127 /nfs/dbraw/zinc/35/11/27/1297351127.db2.gz NWLAOHJHGLWWJB-CYBMUJFWSA-N 1 2 348.472 2.747 10 10 EFCELO COc1cc(C)[nH+]c(/C=C2\SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000776725485 1300493762 /nfs/dbraw/zinc/49/37/62/1300493762.db2.gz BQZAXZZFFFLYQN-QPEQYQDCSA-N 1 2 347.421 2.788 10 10 EFCELO COc1cc(C)[nH+]c(/C=C2/SC(=S)N(Cc3ccon3)C2=O)c1 ZINC000776725484 1300494239 /nfs/dbraw/zinc/49/42/39/1300494239.db2.gz BQZAXZZFFFLYQN-NTUHNPAUSA-N 1 2 347.421 2.788 10 10 EFCELO Cc1cc(CC(=O)NCCc2cn(C)c[nH+]2)c(C)n1-c1ccccc1 ZINC000854905971 1300731360 /nfs/dbraw/zinc/73/13/60/1300731360.db2.gz LQIYMZDLMHBGQP-UHFFFAOYSA-N 1 2 336.439 2.729 10 10 EFCELO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)c(F)cc1O ZINC000866442484 1303641664 /nfs/dbraw/zinc/64/16/64/1303641664.db2.gz MWTLDOASQRAKMJ-LHLIQPBNSA-N 1 2 342.155 2.961 10 10 EFCELO C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cc(F)cc(F)c1O ZINC000866531345 1303675234 /nfs/dbraw/zinc/67/52/34/1303675234.db2.gz GWZYXRDDINGTED-WCQYABFASA-N 1 2 327.371 2.907 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000802659910 1311894927 /nfs/dbraw/zinc/89/49/27/1311894927.db2.gz PGUHHKIOLMJBLN-ZBEGNZNMSA-N 1 2 343.826 2.842 10 10 EFCELO COc1c(O)c(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955527 1316256314 /nfs/dbraw/zinc/25/63/14/1316256314.db2.gz JBYCFXVIHORKSO-RFAUZJTJSA-N 1 2 346.330 2.554 10 10 EFCELO COc1c(O)c(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955527 1316256317 /nfs/dbraw/zinc/25/63/17/1316256317.db2.gz JBYCFXVIHORKSO-RFAUZJTJSA-N 1 2 346.330 2.554 10 10 EFCELO CC[N@H+](CC(=O)NCc1ccc(O)c(O)c1)Cc1ccccc1Cl ZINC001294868506 1322586301 /nfs/dbraw/zinc/58/63/01/1322586301.db2.gz AMJQYGZHHZWXRH-UHFFFAOYSA-N 1 2 348.830 2.890 10 10 EFCELO CC[N@@H+](CC(=O)NCc1ccc(O)c(O)c1)Cc1ccccc1Cl ZINC001294868506 1322586305 /nfs/dbraw/zinc/58/63/05/1322586305.db2.gz AMJQYGZHHZWXRH-UHFFFAOYSA-N 1 2 348.830 2.890 10 10 EFCELO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]2CCCO2)cc1C ZINC001568261624 1416459479 /nfs/dbraw/zinc/45/94/79/1416459479.db2.gz ZMOBNDZPRCIJDO-NVXWUHKLSA-N 1 2 334.460 2.509 10 10 EFCELO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]2CCCO2)cc1C ZINC001568261625 1416459608 /nfs/dbraw/zinc/45/96/08/1416459608.db2.gz ZMOBNDZPRCIJDO-RDJZCZTQSA-N 1 2 334.460 2.509 10 10 EFCELO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000727102311 723812643 /nfs/dbraw/zinc/81/26/43/723812643.db2.gz KUDQJPUOEIDCHO-KRWDZBQOSA-N 1 2 330.403 2.873 10 10 EFCELO Cc1cc(C(=O)C[N@H+]2CCC[C@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000727102311 723812649 /nfs/dbraw/zinc/81/26/49/723812649.db2.gz KUDQJPUOEIDCHO-KRWDZBQOSA-N 1 2 330.403 2.873 10 10 EFCELO C[C@]12COC[C@@H]1C[N@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895273796 723967510 /nfs/dbraw/zinc/96/75/10/723967510.db2.gz DWCPIHDLWIUAOZ-HZMBPMFUSA-N 1 2 330.197 2.762 10 10 EFCELO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(Br)cc(F)c1O)C2 ZINC000895273796 723967512 /nfs/dbraw/zinc/96/75/12/723967512.db2.gz DWCPIHDLWIUAOZ-HZMBPMFUSA-N 1 2 330.197 2.762 10 10 EFCELO CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000042290080 718047999 /nfs/dbraw/zinc/04/79/99/718047999.db2.gz HEVUQOUIZILLHB-HNNXBMFYSA-N 1 2 333.476 2.511 10 10 EFCELO COC(=O)c1c(C[NH2+]Cc2cc(C)no2)c2cc(F)ccc2n1C ZINC000894392759 722689813 /nfs/dbraw/zinc/68/98/13/722689813.db2.gz SMTNSUSRUBIQLF-UHFFFAOYSA-N 1 2 331.347 2.690 10 10 EFCELO CC[C@@H](C[NH2+]Cc1cc(Br)cc(F)c1O)C(=O)OC ZINC000895139794 723436488 /nfs/dbraw/zinc/43/64/88/723436488.db2.gz OYNGSOFUSOXKSI-QMMMGPOBSA-N 1 2 334.185 2.583 10 10 EFCELO CCC1([NH+]2CCOCC2)CCN(Cc2cc(F)cc(F)c2O)CC1 ZINC000895411492 724121825 /nfs/dbraw/zinc/12/18/25/724121825.db2.gz OXGOZNGXYUGOFP-UHFFFAOYSA-N 1 2 340.414 2.747 10 10 EFCELO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N=S(C)(C)=O)C1 ZINC000913641758 725792452 /nfs/dbraw/zinc/79/24/52/725792452.db2.gz HHTHGHJOWBJRHZ-UHFFFAOYSA-N 1 2 347.484 2.662 10 10 EFCELO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N=S(C)(C)=O)C1 ZINC000913641758 725792455 /nfs/dbraw/zinc/79/24/55/725792455.db2.gz HHTHGHJOWBJRHZ-UHFFFAOYSA-N 1 2 347.484 2.662 10 10 EFCELO CCCCN(Cc1ccccc1O)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908044733 727086069 /nfs/dbraw/zinc/08/60/69/727086069.db2.gz FAXOHIHMLQXVAU-SAPNQHFASA-N 1 2 346.471 2.799 10 10 EFCELO CN(C)c1ccc(CNc2nc(NCCO)c3ccccc3[nH+]2)cc1 ZINC000029078826 727735281 /nfs/dbraw/zinc/73/52/81/727735281.db2.gz CFPKXDUXJUXXNN-UHFFFAOYSA-N 1 2 337.427 2.712 10 10 EFCELO COC(=O)[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000917158761 727778635 /nfs/dbraw/zinc/77/86/35/727778635.db2.gz SOPRSBZPWPQKQI-MRXNPFEDSA-N 1 2 340.423 2.772 10 10 EFCELO COC(=O)[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000917158761 727778640 /nfs/dbraw/zinc/77/86/40/727778640.db2.gz SOPRSBZPWPQKQI-MRXNPFEDSA-N 1 2 340.423 2.772 10 10 EFCELO COc1cc([N+](=O)[O-])c(N2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC001650726548 1093488471 /nfs/dbraw/zinc/48/84/71/1093488471.db2.gz FXOXMMWIDXDNDE-LBPRGKRZSA-N 1 2 332.360 2.650 10 10 EFCELO CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001631062366 1100365532 /nfs/dbraw/zinc/36/55/32/1100365532.db2.gz RKWLAEWJKVFSET-CQSZACIVSA-N 1 2 342.403 2.890 10 10 EFCELO O=C(NCc1c(O)cccc1O)c1c[nH+]ccc1Nc1ccccc1 ZINC001639292428 1100934964 /nfs/dbraw/zinc/93/49/64/1100934964.db2.gz BSIHPXNQHVPJFZ-UHFFFAOYSA-N 1 2 335.363 2.588 10 10 EFCELO CC[C@@H](C)[C@H](C(=O)OC)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068443 1102317952 /nfs/dbraw/zinc/31/79/52/1102317952.db2.gz NJZHENJMLAOEQI-CXAGYDPISA-N 1 2 338.423 2.544 10 10 EFCELO CC[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nccs1 ZINC000185089782 1119719339 /nfs/dbraw/zinc/71/93/39/1119719339.db2.gz MSENBWHOFQIMGP-HNNXBMFYSA-N 1 2 332.473 2.566 10 10 EFCELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000248806887 240295927 /nfs/dbraw/zinc/29/59/27/240295927.db2.gz GYVIZCKLAPHNDM-PJODQICGSA-N 1 2 335.375 2.507 10 10 EFCELO CCOCc1nc([C@H](C)[NH2+]Cc2cc(Cl)cc(OC)c2O)no1 ZINC000290939275 241023687 /nfs/dbraw/zinc/02/36/87/241023687.db2.gz PSHHWBWKZXTIBN-VIFPVBQESA-N 1 2 341.795 2.825 10 10 EFCELO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366152827 242343504 /nfs/dbraw/zinc/34/35/04/242343504.db2.gz YZNQZRPFLTVEHA-OAHLLOKOSA-N 1 2 341.459 2.565 10 10 EFCELO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366152827 242343511 /nfs/dbraw/zinc/34/35/11/242343511.db2.gz YZNQZRPFLTVEHA-OAHLLOKOSA-N 1 2 341.459 2.565 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(O)ccc(Cl)c3F)[C@H]2C1 ZINC000248845132 277296710 /nfs/dbraw/zinc/29/67/10/277296710.db2.gz MYCWEHHVSYCKEL-RIEGTJTDSA-N 1 2 329.799 2.953 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(O)ccc(Cl)c3F)[C@H]2C1 ZINC000248845132 277296711 /nfs/dbraw/zinc/29/67/11/277296711.db2.gz MYCWEHHVSYCKEL-RIEGTJTDSA-N 1 2 329.799 2.953 10 10 EFCELO CC[NH+](CC)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC000005848501 471523107 /nfs/dbraw/zinc/52/31/07/471523107.db2.gz PNADJBUVOYYXEJ-UHFFFAOYSA-N 1 2 325.364 2.715 10 10 EFCELO COc1ccc([NH+]2CCC(NC(=O)CCOCC(C)C)CC2)cc1 ZINC000069563546 472370437 /nfs/dbraw/zinc/37/04/37/472370437.db2.gz HRNOGHCBBNWMBJ-UHFFFAOYSA-N 1 2 334.460 2.843 10 10 EFCELO Cc1[nH]ncc1C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000071819617 472572375 /nfs/dbraw/zinc/57/23/75/472572375.db2.gz CMPQOCYJEOXQHU-STQMWFEESA-N 1 2 332.423 2.761 10 10 EFCELO O=C(Cc1ccccc1F)Nc1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000071916748 472620425 /nfs/dbraw/zinc/62/04/25/472620425.db2.gz GILSJONKQRNORH-UHFFFAOYSA-N 1 2 344.386 2.545 10 10 EFCELO C[C@@H](O)C[N@@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C ZINC000120624405 472719401 /nfs/dbraw/zinc/71/94/01/472719401.db2.gz ZELVSZBTMMVMHK-GHMZBOCLSA-N 1 2 333.259 2.586 10 10 EFCELO C[C@@H](O)C[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2O)C[C@H]1C ZINC000120624405 472719407 /nfs/dbraw/zinc/71/94/07/472719407.db2.gz ZELVSZBTMMVMHK-GHMZBOCLSA-N 1 2 333.259 2.586 10 10 EFCELO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118124 473804006 /nfs/dbraw/zinc/80/40/06/473804006.db2.gz AITQRKYRVMSJLX-QGZVFWFLSA-N 1 2 329.448 2.533 10 10 EFCELO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000180118124 473804016 /nfs/dbraw/zinc/80/40/16/473804016.db2.gz AITQRKYRVMSJLX-QGZVFWFLSA-N 1 2 329.448 2.533 10 10 EFCELO C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1O ZINC000187735134 473910576 /nfs/dbraw/zinc/91/05/76/473910576.db2.gz MKORIRZQMNTYED-RYUDHWBXSA-N 1 2 336.386 2.724 10 10 EFCELO Oc1c(Cl)cccc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000274980969 474028338 /nfs/dbraw/zinc/02/83/38/474028338.db2.gz XMQAKVSINLGORC-UHFFFAOYSA-N 1 2 333.819 2.567 10 10 EFCELO CCOCc1nc([C@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)no1 ZINC000290276346 474564368 /nfs/dbraw/zinc/56/43/68/474564368.db2.gz WRZPGELHXCWUGE-QWRGUYRKSA-N 1 2 349.387 2.510 10 10 EFCELO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c1O ZINC000271723800 474587240 /nfs/dbraw/zinc/58/72/40/474587240.db2.gz KUHJMEJWVHEUHZ-UHFFFAOYSA-N 1 2 345.830 2.707 10 10 EFCELO CCOc1ccc([N@H+](CC)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000267905384 474702823 /nfs/dbraw/zinc/70/28/23/474702823.db2.gz DCHRBSSGGLTWCR-HNNXBMFYSA-N 1 2 340.489 2.583 10 10 EFCELO CCOc1ccc([N@@H+](CC)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000267905384 474702831 /nfs/dbraw/zinc/70/28/31/474702831.db2.gz DCHRBSSGGLTWCR-HNNXBMFYSA-N 1 2 340.489 2.583 10 10 EFCELO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000273514738 474938737 /nfs/dbraw/zinc/93/87/37/474938737.db2.gz SHPBFQYDSFOHNG-QMMMGPOBSA-N 1 2 344.293 2.904 10 10 EFCELO Oc1cc(F)c(Cl)cc1C[NH2+]CC1(N2CCCC2)CCOCC1 ZINC000293610923 475043736 /nfs/dbraw/zinc/04/37/36/475043736.db2.gz LTGIKKQISGSNLE-UHFFFAOYSA-N 1 2 342.842 2.919 10 10 EFCELO C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000295233665 475115010 /nfs/dbraw/zinc/11/50/10/475115010.db2.gz DDWSLSYKXCERKR-VIFPVBQESA-N 1 2 335.828 2.582 10 10 EFCELO C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000295233665 475115019 /nfs/dbraw/zinc/11/50/19/475115019.db2.gz DDWSLSYKXCERKR-VIFPVBQESA-N 1 2 335.828 2.582 10 10 EFCELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000373580231 476416620 /nfs/dbraw/zinc/41/66/20/476416620.db2.gz BVAVBGCADCMKDM-OLZOCXBDSA-N 1 2 327.808 2.588 10 10 EFCELO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(Cl)c1O ZINC000373580231 476416625 /nfs/dbraw/zinc/41/66/25/476416625.db2.gz BVAVBGCADCMKDM-OLZOCXBDSA-N 1 2 327.808 2.588 10 10 EFCELO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000373736451 476424240 /nfs/dbraw/zinc/42/42/40/476424240.db2.gz BAPMLDJVCLDKMQ-QWRKXWFKSA-N 1 2 329.227 2.785 10 10 EFCELO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(Cl)cc(Cl)c1O ZINC000373736451 476424245 /nfs/dbraw/zinc/42/42/45/476424245.db2.gz BAPMLDJVCLDKMQ-QWRKXWFKSA-N 1 2 329.227 2.785 10 10 EFCELO CC[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000376670702 477453541 /nfs/dbraw/zinc/45/35/41/477453541.db2.gz ICVLKUWQYCTWIM-BZNIZROVSA-N 1 2 329.799 2.955 10 10 EFCELO CC[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)C[C@]2(CCOC2)O1 ZINC000376670702 477453547 /nfs/dbraw/zinc/45/35/47/477453547.db2.gz ICVLKUWQYCTWIM-BZNIZROVSA-N 1 2 329.799 2.955 10 10 EFCELO CCn1ncc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)n1 ZINC000527925602 478573496 /nfs/dbraw/zinc/57/34/96/478573496.db2.gz VKEQEVKXBDSQCN-QMMMGPOBSA-N 1 2 343.200 2.756 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246863262 536699417 /nfs/dbraw/zinc/69/94/17/536699417.db2.gz QUCICMNQVOKIJG-OIISXLGYSA-N 1 2 337.391 2.502 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@@H]2C1 ZINC000246863262 536699423 /nfs/dbraw/zinc/69/94/23/536699423.db2.gz QUCICMNQVOKIJG-OIISXLGYSA-N 1 2 337.391 2.502 10 10 EFCELO CO[C@@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000768464290 577276293 /nfs/dbraw/zinc/27/62/93/577276293.db2.gz POTRWRQTMMKASC-LBPRGKRZSA-N 1 2 331.416 2.993 10 10 EFCELO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCCC3)n1 ZINC000768464290 577276294 /nfs/dbraw/zinc/27/62/94/577276294.db2.gz POTRWRQTMMKASC-LBPRGKRZSA-N 1 2 331.416 2.993 10 10 EFCELO CCN(CC)c1ccc(CNc2nc(N(C)C)nc(C)[nH+]2)cc1F ZINC000768523697 577280554 /nfs/dbraw/zinc/28/05/54/577280554.db2.gz KLNQSHPBGFASOX-UHFFFAOYSA-N 1 2 332.427 2.843 10 10 EFCELO CCN(CC)c1ccc(CNc2nc(C)[nH+]c(N(C)C)n2)cc1F ZINC000768523697 577280556 /nfs/dbraw/zinc/28/05/56/577280556.db2.gz KLNQSHPBGFASOX-UHFFFAOYSA-N 1 2 332.427 2.843 10 10 EFCELO COc1ccc(N2CC[NH+](Cc3cn(-c4ccccc4)nn3)CC2)cc1 ZINC000726788753 577386475 /nfs/dbraw/zinc/38/64/75/577386475.db2.gz HMDHFZLKXQTQOU-UHFFFAOYSA-N 1 2 349.438 2.598 10 10 EFCELO COc1ccc(N2CC[C@@H]([NH2+][C@@H](c3ncc[nH]3)c3cccnc3)C2)cc1 ZINC000850489296 1250501041 /nfs/dbraw/zinc/50/10/41/1250501041.db2.gz SMTYJAASHSSWFB-VQIMIIECSA-N 1 2 349.438 2.771 10 10 EFCELO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cc(F)cc(F)c2O)C1 ZINC000850503822 1250514173 /nfs/dbraw/zinc/51/41/73/1250514173.db2.gz ZANBBENJNSNIFD-WNCDQNTKSA-N 1 2 329.387 2.887 10 10 EFCELO O=C1NCC[N@@H+](Cc2cc3c(cc2O)CCC3)[C@H]1c1cccs1 ZINC000743384554 1270559687 /nfs/dbraw/zinc/55/96/87/1270559687.db2.gz QLQJCUICOUMVBP-KRWDZBQOSA-N 1 2 328.437 2.616 10 10 EFCELO O=C1NCC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1c1cccs1 ZINC000743384554 1270559688 /nfs/dbraw/zinc/55/96/88/1270559688.db2.gz QLQJCUICOUMVBP-KRWDZBQOSA-N 1 2 328.437 2.616 10 10 EFCELO Cc1cc(C(=O)O[C@H]2CC[N@H+](CCF)C2)c(C)n1-c1ccccn1 ZINC000788084561 1276034472 /nfs/dbraw/zinc/03/44/72/1276034472.db2.gz SDSODCYLFNKOFG-HNNXBMFYSA-N 1 2 331.391 2.690 10 10 EFCELO Cc1cc(C(=O)O[C@H]2CC[N@@H+](CCF)C2)c(C)n1-c1ccccn1 ZINC000788084561 1276034476 /nfs/dbraw/zinc/03/44/76/1276034476.db2.gz SDSODCYLFNKOFG-HNNXBMFYSA-N 1 2 331.391 2.690 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000793361758 1279567517 /nfs/dbraw/zinc/56/75/17/1279567517.db2.gz PWIRPNFYIVNJTM-BBRMVZONSA-N 1 2 329.799 2.955 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000793361758 1279567526 /nfs/dbraw/zinc/56/75/26/1279567526.db2.gz PWIRPNFYIVNJTM-BBRMVZONSA-N 1 2 329.799 2.955 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)c(F)cc3O)[C@H]2C1 ZINC000816521097 1288169911 /nfs/dbraw/zinc/16/99/11/1288169911.db2.gz HFDKMWWNWCJJBX-DIOULYMOSA-N 1 2 329.799 2.953 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)c(F)cc3O)[C@H]2C1 ZINC000816521097 1288169916 /nfs/dbraw/zinc/16/99/16/1288169916.db2.gz HFDKMWWNWCJJBX-DIOULYMOSA-N 1 2 329.799 2.953 10 10 EFCELO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@@H]1n1cccn1 ZINC000816671880 1288238924 /nfs/dbraw/zinc/23/89/24/1288238924.db2.gz JVBBDXZMGHQGEB-ZNMIVQPWSA-N 1 2 339.798 2.890 10 10 EFCELO CCOC(=O)C[N@@H+](Cc1ccccc1O)C[C@H](O)CC1CCCC1 ZINC000823575753 1289337065 /nfs/dbraw/zinc/33/70/65/1289337065.db2.gz AKEDZUQFMFAGSJ-QGZVFWFLSA-N 1 2 335.444 2.699 10 10 EFCELO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H](O)CC1CCCC1 ZINC000823575753 1289337076 /nfs/dbraw/zinc/33/70/76/1289337076.db2.gz AKEDZUQFMFAGSJ-QGZVFWFLSA-N 1 2 335.444 2.699 10 10 EFCELO COc1cc(C)cc(C[N@@H+]2CCN(c3ccc(C)cc3)C(=O)C2)c1O ZINC000795634812 1290733329 /nfs/dbraw/zinc/73/33/29/1290733329.db2.gz MCPMALPUXBNICX-UHFFFAOYSA-N 1 2 340.423 2.866 10 10 EFCELO COc1cc(C)cc(C[N@H+]2CCN(c3ccc(C)cc3)C(=O)C2)c1O ZINC000795634812 1290733339 /nfs/dbraw/zinc/73/33/39/1290733339.db2.gz MCPMALPUXBNICX-UHFFFAOYSA-N 1 2 340.423 2.866 10 10 EFCELO COc1c(O)c(CNCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775012905 1290948719 /nfs/dbraw/zinc/94/87/19/1290948719.db2.gz LDVCVLVNDIWBTC-CHWSQXEVSA-N 1 2 337.420 2.662 10 10 EFCELO COc1c(O)c(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)ccc1[N+](=O)[O-] ZINC000775028074 1290971399 /nfs/dbraw/zinc/97/13/99/1290971399.db2.gz APAMDLLOARRXQC-UHFFFAOYSA-N 1 2 342.355 2.784 10 10 EFCELO COc1c(O)c(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000775028074 1290971406 /nfs/dbraw/zinc/97/14/06/1290971406.db2.gz APAMDLLOARRXQC-UHFFFAOYSA-N 1 2 342.355 2.784 10 10 EFCELO Cc1cc(Br)cc(C[NH+]2CCN(CC(F)F)CC2)c1O ZINC000775663867 1293960580 /nfs/dbraw/zinc/96/05/80/1293960580.db2.gz GIYDGIYPUBEXRI-UHFFFAOYSA-N 1 2 349.219 2.846 10 10 EFCELO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748320 1294388293 /nfs/dbraw/zinc/38/82/93/1294388293.db2.gz UTRLRFKMZODPEA-QMTHXVAHSA-N 1 2 326.799 2.675 10 10 EFCELO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748320 1294388299 /nfs/dbraw/zinc/38/82/99/1294388299.db2.gz UTRLRFKMZODPEA-QMTHXVAHSA-N 1 2 326.799 2.675 10 10 EFCELO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748318 1294389095 /nfs/dbraw/zinc/38/90/95/1294389095.db2.gz UTRLRFKMZODPEA-HZMBPMFUSA-N 1 2 326.799 2.675 10 10 EFCELO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)CN1 ZINC000775748318 1294389097 /nfs/dbraw/zinc/38/90/97/1294389097.db2.gz UTRLRFKMZODPEA-HZMBPMFUSA-N 1 2 326.799 2.675 10 10 EFCELO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000853614585 1300194092 /nfs/dbraw/zinc/19/40/92/1300194092.db2.gz USUKZWUDAWYTSU-JQWIXIFHSA-N 1 2 349.349 2.951 10 10 EFCELO COc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1OC ZINC000853614585 1300194099 /nfs/dbraw/zinc/19/40/99/1300194099.db2.gz USUKZWUDAWYTSU-JQWIXIFHSA-N 1 2 349.349 2.951 10 10 EFCELO Cc1cc(NCCNC(=O)Nc2ccc(N)cc2)nc(C(C)C)[nH+]1 ZINC000859697741 1301540475 /nfs/dbraw/zinc/54/04/75/1301540475.db2.gz KVMLIAVRQWEDGW-UHFFFAOYSA-N 1 2 328.420 2.724 10 10 EFCELO C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)cc(F)c1O ZINC000866441973 1303641534 /nfs/dbraw/zinc/64/15/34/1303641534.db2.gz BFMPMFPZGJCXDW-LHLIQPBNSA-N 1 2 342.155 2.961 10 10 EFCELO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc(F)cc(F)c1O ZINC000802312206 1311552541 /nfs/dbraw/zinc/55/25/41/1311552541.db2.gz FFHIYPBOCBCZJG-XWCIJXRUSA-N 1 2 341.398 2.889 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000903025831 1312291040 /nfs/dbraw/zinc/29/10/40/1312291040.db2.gz FNZPDPCKYGUION-CQSZACIVSA-N 1 2 346.818 2.725 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c1O ZINC000903025831 1312291044 /nfs/dbraw/zinc/29/10/44/1312291044.db2.gz FNZPDPCKYGUION-CQSZACIVSA-N 1 2 346.818 2.725 10 10 EFCELO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)cc(F)c1O ZINC000903260920 1312516041 /nfs/dbraw/zinc/51/60/41/1312516041.db2.gz STAWLLHUXBQZQS-JEUQWKINSA-N 1 2 345.212 2.598 10 10 EFCELO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000903327719 1312573247 /nfs/dbraw/zinc/57/32/47/1312573247.db2.gz XWESYVIXLWKTRV-BZNIZROVSA-N 1 2 327.384 2.771 10 10 EFCELO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827877088 1316024950 /nfs/dbraw/zinc/02/49/50/1316024950.db2.gz DCQAIUDTEUUHCU-IBGZPJMESA-N 1 2 346.471 2.749 10 10 EFCELO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827877088 1316024954 /nfs/dbraw/zinc/02/49/54/1316024954.db2.gz DCQAIUDTEUUHCU-IBGZPJMESA-N 1 2 346.471 2.749 10 10 EFCELO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C3(CC3)C2)c(C)n1-c1cccc(F)c1 ZINC001320471302 1329139135 /nfs/dbraw/zinc/13/91/35/1329139135.db2.gz DBCXVTOLFJTABI-IBGZPJMESA-N 1 2 342.414 2.873 10 10 EFCELO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C3(CC3)C2)c(C)n1-c1cccc(F)c1 ZINC001320471302 1329139140 /nfs/dbraw/zinc/13/91/40/1329139140.db2.gz DBCXVTOLFJTABI-IBGZPJMESA-N 1 2 342.414 2.873 10 10 EFCELO C[N@@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)cc1 ZINC001324417694 1329625435 /nfs/dbraw/zinc/62/54/35/1329625435.db2.gz OHFOUTYPBNFHNM-XJKSGUPXSA-N 1 2 348.349 2.551 10 10 EFCELO C[N@H+]1CC[C@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)cc1 ZINC001324417694 1329625437 /nfs/dbraw/zinc/62/54/37/1329625437.db2.gz OHFOUTYPBNFHNM-XJKSGUPXSA-N 1 2 348.349 2.551 10 10 EFCELO COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2CCCO2)cc1C ZINC001568261627 1416459601 /nfs/dbraw/zinc/45/96/01/1416459601.db2.gz ZMOBNDZPRCIJDO-WBVHZDCISA-N 1 2 334.460 2.509 10 10 EFCELO CCCCC[C@@H](C)NC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000066863864 715680928 /nfs/dbraw/zinc/68/09/28/715680928.db2.gz CEXQIRHHMCHWCS-QGZVFWFLSA-N 1 2 347.503 2.902 10 10 EFCELO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000893978486 720194231 /nfs/dbraw/zinc/19/42/31/720194231.db2.gz UETQVFQGROYSBE-LLVKDONJSA-N 1 2 345.212 2.524 10 10 EFCELO NC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000893978486 720194233 /nfs/dbraw/zinc/19/42/33/720194233.db2.gz UETQVFQGROYSBE-LLVKDONJSA-N 1 2 345.212 2.524 10 10 EFCELO C[N@H+](Cc1cc(F)cc(F)c1O)C1CCN(c2cnccn2)CC1 ZINC000894591525 722786964 /nfs/dbraw/zinc/78/69/64/722786964.db2.gz DIHGYLZAMPICHG-UHFFFAOYSA-N 1 2 334.370 2.561 10 10 EFCELO C[N@@H+](Cc1cc(F)cc(F)c1O)C1CCN(c2cnccn2)CC1 ZINC000894591525 722786966 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ZINC000071916749 472620520 /nfs/dbraw/zinc/62/05/20/472620520.db2.gz CURYGFYGMRQZKS-UHFFFAOYSA-N 1 2 344.386 2.924 10 10 EFCELO COc1ccc(N2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)cc1 ZINC000051092606 473024627 /nfs/dbraw/zinc/02/46/27/473024627.db2.gz AZDKRWMKQJDSKO-IBGZPJMESA-N 1 2 348.393 2.829 10 10 EFCELO COC(=O)C[N@H+](CCc1ccccn1)Cc1cc(Cl)ccc1O ZINC000111238311 473197803 /nfs/dbraw/zinc/19/78/03/473197803.db2.gz MIBLJEJWEVVBJI-UHFFFAOYSA-N 1 2 334.803 2.658 10 10 EFCELO COC(=O)C[N@@H+](CCc1ccccn1)Cc1cc(Cl)ccc1O ZINC000111238311 473197804 /nfs/dbraw/zinc/19/78/04/473197804.db2.gz MIBLJEJWEVVBJI-UHFFFAOYSA-N 1 2 334.803 2.658 10 10 EFCELO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1ccc(Cl)c(Cl)c1O ZINC000185994499 473566917 /nfs/dbraw/zinc/56/69/17/473566917.db2.gz YMOHREVMVNYYDB-IUCAKERBSA-N 1 2 327.215 2.956 10 10 EFCELO Cc1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000179602509 473697919 /nfs/dbraw/zinc/69/79/19/473697919.db2.gz BUIKTOQANBIFEB-INIZCTEOSA-N 1 2 330.815 2.766 10 10 EFCELO Cc1cc(Cl)cc(C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000179602509 473697921 /nfs/dbraw/zinc/69/79/21/473697921.db2.gz BUIKTOQANBIFEB-INIZCTEOSA-N 1 2 330.815 2.766 10 10 EFCELO C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180074837 473792864 /nfs/dbraw/zinc/79/28/64/473792864.db2.gz IWLCSGWJNGCIHR-INIZCTEOSA-N 1 2 337.895 2.648 10 10 EFCELO C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180074837 473792871 /nfs/dbraw/zinc/79/28/71/473792871.db2.gz IWLCSGWJNGCIHR-INIZCTEOSA-N 1 2 337.895 2.648 10 10 EFCELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)c1 ZINC000180130129 473806335 /nfs/dbraw/zinc/80/63/35/473806335.db2.gz DGYUSECYLONMKA-INIZCTEOSA-N 1 2 335.835 2.760 10 10 EFCELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)c1 ZINC000180130129 473806344 /nfs/dbraw/zinc/80/63/44/473806344.db2.gz DGYUSECYLONMKA-INIZCTEOSA-N 1 2 335.835 2.760 10 10 EFCELO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@@H]1N1CCOCC1 ZINC000180230652 473834195 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CCOCc1nc([C@@H](C)[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)no1 ZINC000290276348 474564296 /nfs/dbraw/zinc/56/42/96/474564296.db2.gz WRZPGELHXCWUGE-WDEREUQCSA-N 1 2 349.387 2.510 10 10 EFCELO CC(=O)N1CC[N@@H+](Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000271827006 474595673 /nfs/dbraw/zinc/59/56/73/474595673.db2.gz OBYNDNABBZQZCH-NSHDSACASA-N 1 2 341.249 2.516 10 10 EFCELO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273374886 474866561 /nfs/dbraw/zinc/86/65/61/474866561.db2.gz HAWKAINKXPEAMZ-BDJLRTHQSA-N 1 2 332.356 2.693 10 10 EFCELO COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000370367984 476775935 /nfs/dbraw/zinc/77/59/35/476775935.db2.gz RIGHXMYKPRAGHU-KBPBESRZSA-N 1 2 327.808 2.506 10 10 EFCELO COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000370367984 476775925 /nfs/dbraw/zinc/77/59/25/476775925.db2.gz RIGHXMYKPRAGHU-KBPBESRZSA-N 1 2 327.808 2.506 10 10 EFCELO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)c1O ZINC000528790922 478935450 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2.507 10 10 EFCELO COc1ccc(N2CCC[N@H+](Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000195096939 536672655 /nfs/dbraw/zinc/67/26/55/536672655.db2.gz FNOAKZNOSOZQDB-UHFFFAOYSA-N 1 2 343.475 2.659 10 10 EFCELO COc1ccc(N2CCC[N@@H+](Cc3nnc(C(C)C)n3C)CC2)cc1 ZINC000195096939 536672658 /nfs/dbraw/zinc/67/26/58/536672658.db2.gz FNOAKZNOSOZQDB-UHFFFAOYSA-N 1 2 343.475 2.659 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000280046645 545651316 /nfs/dbraw/zinc/65/13/16/545651316.db2.gz XEWKYZAVXPHKMG-MRXNPFEDSA-N 1 2 344.377 2.763 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)c(C(F)(F)F)c1 ZINC000280046645 545651320 /nfs/dbraw/zinc/65/13/20/545651320.db2.gz XEWKYZAVXPHKMG-MRXNPFEDSA-N 1 2 344.377 2.763 10 10 EFCELO C[C@H]([NH2+]Cc1ccn(C)n1)c1cc(Br)cc(F)c1O ZINC000756776825 575786175 /nfs/dbraw/zinc/78/61/75/575786175.db2.gz DUOUJLXEUZHVIN-QMMMGPOBSA-N 1 2 328.185 2.878 10 10 EFCELO CC=CC[C@H]1NC(=O)N(C2CC[NH+](c3ccc(OC)cc3)CC2)C1=O ZINC000761224133 576132299 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COc1ccc(N2CC[NH+]([C@H](C)c3cnc(C)cn3)CC2)cc1F ZINC000794397876 1280171712 /nfs/dbraw/zinc/17/17/12/1280171712.db2.gz HKKQHZQHYTYRND-CQSZACIVSA-N 1 2 330.407 2.816 10 10 EFCELO Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000809663062 1282391357 /nfs/dbraw/zinc/39/13/57/1282391357.db2.gz JTFJNSMFQDVYMJ-SNVBAGLBSA-N 1 2 336.798 2.937 10 10 EFCELO Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)n1 ZINC000809663062 1282391367 /nfs/dbraw/zinc/39/13/67/1282391367.db2.gz JTFJNSMFQDVYMJ-SNVBAGLBSA-N 1 2 336.798 2.937 10 10 EFCELO CCOC(=O)c1c(C)onc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000809971845 1282665312 /nfs/dbraw/zinc/66/53/12/1282665312.db2.gz MFFQUZKDUYNPNR-JTQLQIEISA-N 1 2 334.372 2.725 10 10 EFCELO COc1ccc(N2CC[C@H](NC(=O)Nc3cc(C)[nH+]cc3C)C2)cc1 ZINC000822281748 1288926088 /nfs/dbraw/zinc/92/60/88/1288926088.db2.gz SUENWUXPZBJKDW-HNNXBMFYSA-N 1 2 340.427 2.529 10 10 EFCELO CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(F)ccc1O ZINC000822525442 1289008822 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EFCELO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000775679240 1294103673 /nfs/dbraw/zinc/10/36/73/1294103673.db2.gz RUTBONSIXWTCCS-HNNXBMFYSA-N 1 2 342.842 2.871 10 10 EFCELO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000775679240 1294103677 /nfs/dbraw/zinc/10/36/77/1294103677.db2.gz RUTBONSIXWTCCS-HNNXBMFYSA-N 1 2 342.842 2.871 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776012387 1295679945 /nfs/dbraw/zinc/67/99/45/1295679945.db2.gz GGVFVARSZYFOAQ-QWHCGFSZSA-N 1 2 345.798 2.727 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776012387 1295679962 /nfs/dbraw/zinc/67/99/62/1295679962.db2.gz GGVFVARSZYFOAQ-QWHCGFSZSA-N 1 2 345.798 2.727 10 10 EFCELO COc1cc(O)c(C[N@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1OC ZINC000853614584 1300193746 /nfs/dbraw/zinc/19/37/46/1300193746.db2.gz USUKZWUDAWYTSU-CMPLNLGQSA-N 1 2 349.349 2.951 10 10 EFCELO COc1cc(O)c(C[N@@H+]2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)cc1OC ZINC000853614584 1300193753 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COC[C@@]1(C)C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000862552007 1302412293 /nfs/dbraw/zinc/41/22/93/1302412293.db2.gz RJOBOQMKHXKTLD-OAHLLOKOSA-N 1 2 344.249 2.700 10 10 EFCELO C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1C ZINC000800538718 1308092354 /nfs/dbraw/zinc/09/23/54/1308092354.db2.gz ZWEXKKFBELQXKJ-OAHLLOKOSA-N 1 2 340.423 2.634 10 10 EFCELO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC(=O)N1C ZINC000800538718 1308092357 /nfs/dbraw/zinc/09/23/57/1308092357.db2.gz ZWEXKKFBELQXKJ-OAHLLOKOSA-N 1 2 340.423 2.634 10 10 EFCELO C[C@@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1cc(F)cc(F)c1O ZINC000903153552 1312414754 /nfs/dbraw/zinc/41/47/54/1312414754.db2.gz HHSZADZKSXVXQQ-XSRFYTQQSA-N 1 2 347.427 2.924 10 10 EFCELO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827877090 1316025103 /nfs/dbraw/zinc/02/51/03/1316025103.db2.gz DCQAIUDTEUUHCU-LJQANCHMSA-N 1 2 346.471 2.749 10 10 EFCELO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CCO1 ZINC000827877090 1316025105 /nfs/dbraw/zinc/02/51/05/1316025105.db2.gz DCQAIUDTEUUHCU-LJQANCHMSA-N 1 2 346.471 2.749 10 10 EFCELO COc1c(O)c(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955532 1316256389 /nfs/dbraw/zinc/25/63/89/1316256389.db2.gz JBYCFXVIHORKSO-VFZGTOFNSA-N 1 2 346.330 2.554 10 10 EFCELO COc1c(O)c(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)ccc1[N+](=O)[O-] ZINC000827955532 1316256391 /nfs/dbraw/zinc/25/63/91/1316256391.db2.gz JBYCFXVIHORKSO-VFZGTOFNSA-N 1 2 346.330 2.554 10 10 EFCELO Cc1c[nH+]c2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)ccn12 ZINC001264826824 1316671673 /nfs/dbraw/zinc/67/16/73/1316671673.db2.gz CEGDGBNCRQGAAE-UHFFFAOYSA-N 1 2 326.375 2.778 10 10 EFCELO COc1c(C)c[nH+]c(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1C ZINC001292411056 1322068974 /nfs/dbraw/zinc/06/89/74/1322068974.db2.gz XVASXEVCUVJCPA-UHFFFAOYSA-N 1 2 341.371 2.799 10 10 EFCELO COc1ccc(O)c([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC001294937034 1322603046 /nfs/dbraw/zinc/60/30/46/1322603046.db2.gz MVGYUYXBLKFACT-GFCCVEGCSA-N 1 2 325.368 2.848 10 10 EFCELO C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923265 1334989470 /nfs/dbraw/zinc/98/94/70/1334989470.db2.gz HLTBGPUFPGRRKL-SDDRHHMPSA-N 1 2 330.831 2.772 10 10 EFCELO C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923267 1334989927 /nfs/dbraw/zinc/98/99/27/1334989927.db2.gz HLTBGPUFPGRRKL-UTUOFQBUSA-N 1 2 330.831 2.772 10 10 EFCELO Cc1ccc(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)c(O)c1O ZINC001471527183 1397182298 /nfs/dbraw/zinc/18/22/98/1397182298.db2.gz SCCXCXZGGARJFU-INIZCTEOSA-N 1 2 337.379 2.774 10 10 EFCELO Cc1cc(O)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000840946866 717973256 /nfs/dbraw/zinc/97/32/56/717973256.db2.gz WMDJFNVCYQCLGC-UHFFFAOYSA-N 1 2 339.911 2.812 10 10 EFCELO Cc1cc(O)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(Cl)c1 ZINC000840946866 717973261 /nfs/dbraw/zinc/97/32/61/717973261.db2.gz WMDJFNVCYQCLGC-UHFFFAOYSA-N 1 2 339.911 2.812 10 10 EFCELO CCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000066863865 715681084 /nfs/dbraw/zinc/68/10/84/715681084.db2.gz CEXQIRHHMCHWCS-KRWDZBQOSA-N 1 2 347.503 2.902 10 10 EFCELO Cc1noc([C@H](C)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000121284765 723892415 /nfs/dbraw/zinc/89/24/15/723892415.db2.gz RKWUPACZXFKUOK-NSHDSACASA-N 1 2 336.823 2.616 10 10 EFCELO CC(C)[N@@H+](Cc1cccc(Br)c1O)C[C@@H]1CCC(=O)N1 ZINC000840977134 720007982 /nfs/dbraw/zinc/00/79/82/720007982.db2.gz SDRAJAPXIROIAG-LBPRGKRZSA-N 1 2 341.249 2.644 10 10 EFCELO CC(C)[N@H+](Cc1cccc(Br)c1O)C[C@@H]1CCC(=O)N1 ZINC000840977134 720007984 /nfs/dbraw/zinc/00/79/84/720007984.db2.gz SDRAJAPXIROIAG-LBPRGKRZSA-N 1 2 341.249 2.644 10 10 EFCELO C[C@@H](O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893993156 720199550 /nfs/dbraw/zinc/19/95/50/720199550.db2.gz BWYOANLJKFNGKY-SECBINFHSA-N 1 2 332.213 2.887 10 10 EFCELO CCc1cc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)OC)on1 ZINC000894137818 720856416 /nfs/dbraw/zinc/85/64/16/720856416.db2.gz DYIVRKFBOSGZKE-UHFFFAOYSA-N 1 2 345.374 2.944 10 10 EFCELO COC(=O)c1c(C[NH2+][C@@H]2CCn3ccnc32)c2cc(F)ccc2n1C ZINC000894870096 722928922 /nfs/dbraw/zinc/92/89/22/722928922.db2.gz IUSIONPOFZEGAU-CQSZACIVSA-N 1 2 342.374 2.535 10 10 EFCELO OC[C@]1(F)C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@H]1c1ccccc1 ZINC000894881450 722937348 /nfs/dbraw/zinc/93/73/48/722937348.db2.gz PHPDZLXOOVMZQF-MAUKXSAKSA-N 1 2 337.341 2.970 10 10 EFCELO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000894881018 722937417 /nfs/dbraw/zinc/93/74/17/722937417.db2.gz KHRMNZXBEHLZDJ-TVQRCGJNSA-N 1 2 332.213 2.887 10 10 EFCELO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000894881018 722937418 /nfs/dbraw/zinc/93/74/18/722937418.db2.gz KHRMNZXBEHLZDJ-TVQRCGJNSA-N 1 2 332.213 2.887 10 10 EFCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000896151475 723162078 /nfs/dbraw/zinc/16/20/78/723162078.db2.gz DTCRIODKHXPJOS-LBPRGKRZSA-N 1 2 343.408 2.986 10 10 EFCELO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895477996 724154456 /nfs/dbraw/zinc/15/44/56/724154456.db2.gz 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C[N@H+]1CCc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2C1 ZINC000065476902 472951461 /nfs/dbraw/zinc/95/14/61/472951461.db2.gz QERRRKALXUWODS-UHFFFAOYSA-N 1 2 346.438 2.635 10 10 EFCELO COc1ccc(N2CCC[N@H+](Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000191266773 473522420 /nfs/dbraw/zinc/52/24/20/473522420.db2.gz QSOZTQANLMTPBI-UHFFFAOYSA-N 1 2 343.475 2.754 10 10 EFCELO COc1ccc(N2CCC[N@@H+](Cc3cn(C(C)(C)C)nn3)CC2)cc1 ZINC000191266773 473522425 /nfs/dbraw/zinc/52/24/25/473522425.db2.gz QSOZTQANLMTPBI-UHFFFAOYSA-N 1 2 343.475 2.754 10 10 EFCELO COCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000191332354 473528069 /nfs/dbraw/zinc/52/80/69/473528069.db2.gz UYDHIOPMQOFOPX-LLVKDONJSA-N 1 2 340.786 2.547 10 10 EFCELO CC(C)Oc1ccc([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000191596761 473559139 /nfs/dbraw/zinc/55/91/39/473559139.db2.gz QYVJWJMQAGJPNE-HNNXBMFYSA-N 1 2 340.489 2.582 10 10 EFCELO CC(C)Oc1ccc([N@@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000191596761 473559143 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Cc1cc(C)n(C[C@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)n1 ZINC000180130926 473806482 /nfs/dbraw/zinc/80/64/82/473806482.db2.gz PETQIMKJKUGGAA-OAHLLOKOSA-N 1 2 335.835 2.760 10 10 EFCELO Cc1cnn(C[C@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)c1 ZINC000180130147 473807158 /nfs/dbraw/zinc/80/71/58/473807158.db2.gz DGYUSECYLONMKA-MRXNPFEDSA-N 1 2 335.835 2.760 10 10 EFCELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)c1 ZINC000180130147 473807162 /nfs/dbraw/zinc/80/71/62/473807162.db2.gz DGYUSECYLONMKA-MRXNPFEDSA-N 1 2 335.835 2.760 10 10 EFCELO CCc1nnc([C@@H]2C[N@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000183416433 474377965 /nfs/dbraw/zinc/37/79/65/474377965.db2.gz ITJFYCOBDAEOOJ-ZDUSSCGKSA-N 1 2 336.823 2.608 10 10 EFCELO CCc1nnc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(C)c3O)CCO2)[nH]1 ZINC000183416433 474377970 /nfs/dbraw/zinc/37/79/70/474377970.db2.gz ITJFYCOBDAEOOJ-ZDUSSCGKSA-N 1 2 336.823 2.608 10 10 EFCELO CS(=O)(=O)CC1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295179765 475108895 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EFCELO CCOC(=O)CN1C(=O)/C(=C/c2c[nH+]cn2C(C)C)c2ccccc21 ZINC000901486543 1310558417 /nfs/dbraw/zinc/55/84/17/1310558417.db2.gz LLXZUUUVOADOOE-CXUHLZMHSA-N 1 2 339.395 2.914 10 10 EFCELO Cc1cc(C(=O)C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000782607307 1311368314 /nfs/dbraw/zinc/36/83/14/1311368314.db2.gz UMWMMSMBHHHULK-QRWLVFNGSA-N 1 2 342.414 2.730 10 10 EFCELO Cc1cc(C(=O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000782607307 1311368318 /nfs/dbraw/zinc/36/83/18/1311368318.db2.gz UMWMMSMBHHHULK-QRWLVFNGSA-N 1 2 342.414 2.730 10 10 EFCELO CNc1cc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc[nH+]1 ZINC001263778873 1316560967 /nfs/dbraw/zinc/56/09/67/1316560967.db2.gz TZZNZDJFYGOQCR-UHFFFAOYSA-N 1 2 327.432 2.531 10 10 EFCELO COc1ccc(O)c([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)c1 ZINC001294937035 1322603256 /nfs/dbraw/zinc/60/32/56/1322603256.db2.gz MVGYUYXBLKFACT-LBPRGKRZSA-N 1 2 325.368 2.848 10 10 EFCELO Cn1cc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c(Cl)n1 ZINC001331343333 1330825078 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C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848559795 1334795446 /nfs/dbraw/zinc/79/54/46/1334795446.db2.gz ZVPVMLAYISORER-NDBYEHHHSA-N 1 2 328.403 2.819 10 10 EFCELO CN(C)c1ccc(C=CC[NH2+]Cc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000848562063 1334796209 /nfs/dbraw/zinc/79/62/09/1334796209.db2.gz GQSTZGACPBKDOZ-WMHVBEDNSA-N 1 2 327.432 2.525 10 10 EFCELO C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001454871754 1394331175 /nfs/dbraw/zinc/33/11/75/1394331175.db2.gz BRWGBQHOAVLMEZ-MRXNPFEDSA-N 1 2 337.383 2.766 10 10 EFCELO C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001454871754 1394331181 /nfs/dbraw/zinc/33/11/81/1394331181.db2.gz BRWGBQHOAVLMEZ-MRXNPFEDSA-N 1 2 337.383 2.766 10 10 EFCELO O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cccc(O)c1O ZINC001558162147 1415163322 /nfs/dbraw/zinc/16/33/22/1415163322.db2.gz VWRGAUGKKPSULE-OAHLLOKOSA-N 1 2 337.379 2.659 10 10 EFCELO COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]2CCCO2)cc1C ZINC001568261622 1416459599 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Cc1cc(Br)c(O)c(C[N@H+]2CCNC(=O)CC2(C)C)c1 ZINC000895400451 724117670 /nfs/dbraw/zinc/11/76/70/724117670.db2.gz RILVAPAVAJIFMH-UHFFFAOYSA-N 1 2 341.249 2.564 10 10 EFCELO CC1(C)C[C@H](O)C[N@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895460399 724144163 /nfs/dbraw/zinc/14/41/63/724144163.db2.gz OHTGBPQOZDDJJW-NSHDSACASA-N 1 2 332.213 2.887 10 10 EFCELO CC1(C)C[C@H](O)C[N@@H+](Cc2cc(Br)cc(F)c2O)C1 ZINC000895460399 724144165 /nfs/dbraw/zinc/14/41/65/724144165.db2.gz OHTGBPQOZDDJJW-NSHDSACASA-N 1 2 332.213 2.887 10 10 EFCELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1c(O)cccc1F ZINC000913995611 725979666 /nfs/dbraw/zinc/97/96/66/725979666.db2.gz WIGUUQYLGNYWBF-UHFFFAOYSA-N 1 2 344.390 2.526 10 10 EFCELO Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912585363 727727149 /nfs/dbraw/zinc/72/71/49/727727149.db2.gz SOPNQFUXPDWLOT-KRWDZBQOSA-N 1 2 348.406 2.978 10 10 EFCELO COc1ccc(N2CC[NH+](Cn3nccc3-c3ccncc3)CC2)cc1 ZINC000171681233 728548035 /nfs/dbraw/zinc/54/80/35/728548035.db2.gz BQMZNHRSCYFQST-UHFFFAOYSA-N 1 2 349.438 2.733 10 10 EFCELO CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC001648323939 1089980830 /nfs/dbraw/zinc/98/08/30/1089980830.db2.gz DCVPMIKCIKYLAD-UHFFFAOYSA-N 1 2 338.835 2.739 10 10 EFCELO C[C@H]1C[NH2+]CCN(Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708125264 1093126172 /nfs/dbraw/zinc/12/61/72/1093126172.db2.gz NVZLXYARDRZXBD-VIFPVBQESA-N 1 2 333.657 2.849 10 10 EFCELO C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CC[N@@H+]1C ZINC000708141152 1093169120 /nfs/dbraw/zinc/16/91/20/1093169120.db2.gz QOIRYOJUCBHHTL-SECBINFHSA-N 1 2 333.657 2.944 10 10 EFCELO C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2O)CC[N@H+]1C ZINC000708141152 1093169122 /nfs/dbraw/zinc/16/91/22/1093169122.db2.gz QOIRYOJUCBHHTL-SECBINFHSA-N 1 2 333.657 2.944 10 10 EFCELO O=C(NCc1ccc(O)c(O)c1)c1c[nH+]ccc1Nc1ccccc1 ZINC001595595802 1094478289 /nfs/dbraw/zinc/47/82/89/1094478289.db2.gz LBBFLXBLYQLZAZ-UHFFFAOYSA-N 1 2 335.363 2.588 10 10 EFCELO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC001628128466 1100065038 /nfs/dbraw/zinc/06/50/38/1100065038.db2.gz VQFUOOMDQOMTKK-UHFFFAOYSA-N 1 2 336.395 2.602 10 10 EFCELO CCOc1ccc(N2CC[NH+]([C@@H](C(=O)OC)[C@@H](C)CC)CC2)cc1 ZINC001652964688 1101571863 /nfs/dbraw/zinc/57/18/63/1101571863.db2.gz PMFMXBPWHZOJAN-MAUKXSAKSA-N 1 2 334.460 2.795 10 10 EFCELO C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001659193608 1102524188 /nfs/dbraw/zinc/52/41/88/1102524188.db2.gz NIYFSFDHLZGCFR-WFASDCNBSA-N 1 2 343.393 2.784 10 10 EFCELO C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001659193608 1102524193 /nfs/dbraw/zinc/52/41/93/1102524193.db2.gz NIYFSFDHLZGCFR-WFASDCNBSA-N 1 2 343.393 2.784 10 10 EFCELO Cc1ccc(O)c(C[NH2+]Cc2ncn(Cc3cccc(F)c3)n2)c1 ZINC000780589565 1111796871 /nfs/dbraw/zinc/79/68/71/1111796871.db2.gz MEGGGKRCIUFVEM-UHFFFAOYSA-N 1 2 326.375 2.769 10 10 EFCELO CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000097653828 219044481 /nfs/dbraw/zinc/04/44/81/219044481.db2.gz HWSFPUZXMLYGDI-KRWDZBQOSA-N 1 2 345.487 2.608 10 10 EFCELO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245771575 240262455 /nfs/dbraw/zinc/26/24/55/240262455.db2.gz RXIYIIJCMYBIGV-IAQYHMDHSA-N 1 2 345.270 2.852 10 10 EFCELO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245771575 240262458 /nfs/dbraw/zinc/26/24/58/240262458.db2.gz RXIYIIJCMYBIGV-IAQYHMDHSA-N 1 2 345.270 2.852 10 10 EFCELO COCc1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000297757594 241133672 /nfs/dbraw/zinc/13/36/72/241133672.db2.gz LKZIUEQNAJAIKS-MRXNPFEDSA-N 1 2 332.400 2.708 10 10 EFCELO COCc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000297757594 241133677 /nfs/dbraw/zinc/13/36/77/241133677.db2.gz LKZIUEQNAJAIKS-MRXNPFEDSA-N 1 2 332.400 2.708 10 10 EFCELO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366108447 242342892 /nfs/dbraw/zinc/34/28/92/242342892.db2.gz ZRRGSZHETOUBPQ-AWEZNQCLSA-N 1 2 328.416 2.594 10 10 EFCELO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366108447 242342903 /nfs/dbraw/zinc/34/29/03/242342903.db2.gz ZRRGSZHETOUBPQ-AWEZNQCLSA-N 1 2 328.416 2.594 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158265513 533441184 /nfs/dbraw/zinc/44/11/84/533441184.db2.gz QUCICMNQVOKIJG-HYVNUMGLSA-N 1 2 337.391 2.502 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(F)cc(C(C)=O)c3O)[C@H]2C1 ZINC000158265513 533441190 /nfs/dbraw/zinc/44/11/90/533441190.db2.gz QUCICMNQVOKIJG-HYVNUMGLSA-N 1 2 337.391 2.502 10 10 EFCELO COc1ccc(O)c(C[N@@H+]2CCNC(=O)[C@H]2c2ccc(F)cc2C)c1 ZINC000185625709 286338552 /nfs/dbraw/zinc/33/85/52/286338552.db2.gz GIBJFASDKGSXEQ-GOSISDBHSA-N 1 2 344.386 2.521 10 10 EFCELO COc1ccc(O)c(C[N@H+]2CCNC(=O)[C@H]2c2ccc(F)cc2C)c1 ZINC000185625709 286338553 /nfs/dbraw/zinc/33/85/53/286338553.db2.gz GIBJFASDKGSXEQ-GOSISDBHSA-N 1 2 344.386 2.521 10 10 EFCELO CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000092040288 544540508 /nfs/dbraw/zinc/54/05/08/544540508.db2.gz MNTYKGQFUHMOSV-HOTGVXAUSA-N 1 2 347.411 2.708 10 10 EFCELO CCOc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000092040288 544540509 /nfs/dbraw/zinc/54/05/09/544540509.db2.gz MNTYKGQFUHMOSV-HOTGVXAUSA-N 1 2 347.411 2.708 10 10 EFCELO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273595042 278282829 /nfs/dbraw/zinc/28/28/29/278282829.db2.gz QEERVDDFQFGCBF-LRDDRELGSA-N 1 2 341.367 2.757 10 10 EFCELO CCc1nnc(C2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)[nH]1 ZINC000190655774 473349631 /nfs/dbraw/zinc/34/96/31/473349631.db2.gz LBIOIKYKHSATRH-UHFFFAOYSA-N 1 2 346.406 2.794 10 10 EFCELO CCc1n[nH]c(C2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)n1 ZINC000190655774 473349644 /nfs/dbraw/zinc/34/96/44/473349644.db2.gz LBIOIKYKHSATRH-UHFFFAOYSA-N 1 2 346.406 2.794 10 10 EFCELO CCc1nc(C2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)n[nH]1 ZINC000190655774 473349652 /nfs/dbraw/zinc/34/96/52/473349652.db2.gz LBIOIKYKHSATRH-UHFFFAOYSA-N 1 2 346.406 2.794 10 10 EFCELO CC[C@H](CO)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000093740082 473135918 /nfs/dbraw/zinc/13/59/18/473135918.db2.gz BERXCPOAWSYCRF-CYBMUJFWSA-N 1 2 333.259 2.588 10 10 EFCELO CC(C)(C)n1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000191169971 473497018 /nfs/dbraw/zinc/49/70/18/473497018.db2.gz NEKLHUNJSTZTPR-KRWDZBQOSA-N 1 2 344.459 2.920 10 10 EFCELO CC(C)(C)n1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nn1 ZINC000191169971 473497022 /nfs/dbraw/zinc/49/70/22/473497022.db2.gz NEKLHUNJSTZTPR-KRWDZBQOSA-N 1 2 344.459 2.920 10 10 EFCELO Oc1c(Cl)cc(Cl)cc1C[NH+]1CCN(c2cccnn2)CC1 ZINC000127968747 473668075 /nfs/dbraw/zinc/66/80/75/473668075.db2.gz COTWOEIQQHYTIK-UHFFFAOYSA-N 1 2 339.226 2.811 10 10 EFCELO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(c2cccnn2)C1 ZINC000180079274 473793578 /nfs/dbraw/zinc/79/35/78/473793578.db2.gz OYSLDUJKLSUNAF-AWEZNQCLSA-N 1 2 332.835 2.936 10 10 EFCELO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(c2cccnn2)C1 ZINC000180079274 473793583 /nfs/dbraw/zinc/79/35/83/473793583.db2.gz OYSLDUJKLSUNAF-AWEZNQCLSA-N 1 2 332.835 2.936 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271334061 474495812 /nfs/dbraw/zinc/49/58/12/474495812.db2.gz NLYCLTUULVDOQB-MAUKXSAKSA-N 1 2 348.418 2.809 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1F ZINC000271334061 474495820 /nfs/dbraw/zinc/49/58/20/474495820.db2.gz NLYCLTUULVDOQB-MAUKXSAKSA-N 1 2 348.418 2.809 10 10 EFCELO CN(C)c1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000271334064 474496731 /nfs/dbraw/zinc/49/67/31/474496731.db2.gz NLYCLTUULVDOQB-YJBOKZPZSA-N 1 2 348.418 2.809 10 10 EFCELO CN(C)c1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1F ZINC000271334064 474496734 /nfs/dbraw/zinc/49/67/34/474496734.db2.gz NLYCLTUULVDOQB-YJBOKZPZSA-N 1 2 348.418 2.809 10 10 EFCELO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271379787 474516982 /nfs/dbraw/zinc/51/69/82/474516982.db2.gz RGYKQEQXWAISSP-BLLLJJGKSA-N 1 2 337.803 2.963 10 10 EFCELO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271379787 474516987 /nfs/dbraw/zinc/51/69/87/474516987.db2.gz RGYKQEQXWAISSP-BLLLJJGKSA-N 1 2 337.803 2.963 10 10 EFCELO CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000284169695 474586915 /nfs/dbraw/zinc/58/69/15/474586915.db2.gz WWIZNRLJRZONTO-AAEUAGOBSA-N 1 2 336.259 2.947 10 10 EFCELO COc1c(O)c(C[NH2+]C2(c3noc(C)n3)CCCC2)ccc1[N+](=O)[O-] ZINC000278104870 474601307 /nfs/dbraw/zinc/60/13/07/474601307.db2.gz ABRPDCOTIGOSTI-UHFFFAOYSA-N 1 2 348.359 2.560 10 10 EFCELO CCN(CC)c1ccc(C[NH2+]Cc2ncccc2S(C)(=O)=O)cc1 ZINC000278693639 474780476 /nfs/dbraw/zinc/78/04/76/474780476.db2.gz IZSNILGOPJVTSW-UHFFFAOYSA-N 1 2 347.484 2.621 10 10 EFCELO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000273595040 474980841 /nfs/dbraw/zinc/98/08/41/474980841.db2.gz QEERVDDFQFGCBF-BLLLJJGKSA-N 1 2 341.367 2.757 10 10 EFCELO COc1cc(Cl)cc(C[N@@H+](C)Cc2nc([C@@H](C)OC)no2)c1O ZINC000273694704 475016884 /nfs/dbraw/zinc/01/68/84/475016884.db2.gz CAXQLZPWHCQAJK-SECBINFHSA-N 1 2 341.795 2.777 10 10 EFCELO COc1cc(Cl)cc(C[N@H+](C)Cc2nc([C@@H](C)OC)no2)c1O ZINC000273694704 475016894 /nfs/dbraw/zinc/01/68/94/475016894.db2.gz CAXQLZPWHCQAJK-SECBINFHSA-N 1 2 341.795 2.777 10 10 EFCELO CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000293573880 475040107 /nfs/dbraw/zinc/04/01/07/475040107.db2.gz JEQLQVUWIAVJDX-CMPLNLGQSA-N 1 2 328.815 2.921 10 10 EFCELO C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)O2 ZINC000294518059 475070323 /nfs/dbraw/zinc/07/03/23/475070323.db2.gz CHZPTTYKXHLHRM-UVWXRNBGSA-N 1 2 329.799 2.953 10 10 EFCELO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)O2 ZINC000294518059 475070343 /nfs/dbraw/zinc/07/03/43/475070343.db2.gz CHZPTTYKXHLHRM-UVWXRNBGSA-N 1 2 329.799 2.953 10 10 EFCELO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521295 475127582 /nfs/dbraw/zinc/12/75/82/475127582.db2.gz ZYVDWZGBJZOOKD-UKRRQHHQSA-N 1 2 349.855 2.972 10 10 EFCELO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000295521295 475127594 /nfs/dbraw/zinc/12/75/94/475127594.db2.gz ZYVDWZGBJZOOKD-UKRRQHHQSA-N 1 2 349.855 2.972 10 10 EFCELO Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1N(C)C ZINC000292686820 475152325 /nfs/dbraw/zinc/15/23/25/475152325.db2.gz CDVDJZJJQJYEAH-HKUYNNGSSA-N 1 2 344.455 2.979 10 10 EFCELO Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)ccc1N(C)C ZINC000292686820 475152331 /nfs/dbraw/zinc/15/23/31/475152331.db2.gz CDVDJZJJQJYEAH-HKUYNNGSSA-N 1 2 344.455 2.979 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(Cl)c1O ZINC000373580237 476416405 /nfs/dbraw/zinc/41/64/05/476416405.db2.gz BVAVBGCADCMKDM-STQMWFEESA-N 1 2 327.808 2.588 10 10 EFCELO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(Cl)c1O ZINC000373580237 476416411 /nfs/dbraw/zinc/41/64/11/476416411.db2.gz BVAVBGCADCMKDM-STQMWFEESA-N 1 2 327.808 2.588 10 10 EFCELO Cn1ncc2c1nc[nH+]c2N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378407906 476707179 /nfs/dbraw/zinc/70/71/79/476707179.db2.gz YDDDWXWFKATKBS-UHFFFAOYSA-N 1 2 326.791 2.705 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000375262975 476745412 /nfs/dbraw/zinc/74/54/12/476745412.db2.gz YZEKZSMOGYFFIT-OAHLLOKOSA-N 1 2 335.835 2.969 10 10 EFCELO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000375262975 476745414 /nfs/dbraw/zinc/74/54/14/476745414.db2.gz YZEKZSMOGYFFIT-OAHLLOKOSA-N 1 2 335.835 2.969 10 10 EFCELO COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000370367985 476776821 /nfs/dbraw/zinc/77/68/21/476776821.db2.gz RIGHXMYKPRAGHU-KGLIPLIRSA-N 1 2 327.808 2.506 10 10 EFCELO COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000370367985 476776828 /nfs/dbraw/zinc/77/68/28/476776828.db2.gz RIGHXMYKPRAGHU-KGLIPLIRSA-N 1 2 327.808 2.506 10 10 EFCELO CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000527613776 478445033 /nfs/dbraw/zinc/44/50/33/478445033.db2.gz SGYQVQOMLZNABN-UHFFFAOYSA-N 1 2 327.384 2.593 10 10 EFCELO CC(C)c1ncc2c(n1)CC[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000527613776 478445042 /nfs/dbraw/zinc/44/50/42/478445042.db2.gz SGYQVQOMLZNABN-UHFFFAOYSA-N 1 2 327.384 2.593 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000528788069 478934429 /nfs/dbraw/zinc/93/44/29/478934429.db2.gz OUVFFWFDCWCIEK-ALLJEULLSA-N 1 2 341.860 2.734 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000528788069 478934437 /nfs/dbraw/zinc/93/44/37/478934437.db2.gz OUVFFWFDCWCIEK-ALLJEULLSA-N 1 2 341.860 2.734 10 10 EFCELO CC1([NH+]2CCOCC2)CCN(Cc2c(O)ccc(Cl)c2F)CC1 ZINC000529663355 479237963 /nfs/dbraw/zinc/23/79/63/479237963.db2.gz KIMKQUSJVBRRSB-UHFFFAOYSA-N 1 2 342.842 2.871 10 10 EFCELO CC1(N2CCOCC2)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000529663355 479237968 /nfs/dbraw/zinc/23/79/68/479237968.db2.gz KIMKQUSJVBRRSB-UHFFFAOYSA-N 1 2 342.842 2.871 10 10 EFCELO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000754730667 575479244 /nfs/dbraw/zinc/47/92/44/575479244.db2.gz VNYLPMJROZVREE-HNNXBMFYSA-N 1 2 329.400 2.843 10 10 EFCELO Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H](c3noc(C4CC4)n3)C2)c1 ZINC000754730667 575479245 /nfs/dbraw/zinc/47/92/45/575479245.db2.gz VNYLPMJROZVREE-HNNXBMFYSA-N 1 2 329.400 2.843 10 10 EFCELO CC[S@@](=O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756573357 575764481 /nfs/dbraw/zinc/76/44/81/575764481.db2.gz AMZZVTSMXJOGRT-NTCNTBNZSA-N 1 2 338.242 2.713 10 10 EFCELO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CC(C)C)c1 ZINC000756596487 575766608 /nfs/dbraw/zinc/76/66/08/575766608.db2.gz DRQFLGKUKRFKTJ-CYBMUJFWSA-N 1 2 331.416 2.882 10 10 EFCELO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1cc(F)cc(F)c1O ZINC000756616011 575768103 /nfs/dbraw/zinc/76/81/03/575768103.db2.gz YLDFZVBDITZQLO-DGCLKSJQSA-N 1 2 336.386 2.724 10 10 EFCELO C[C@H]([NH2+]Cc1cn(C)nn1)c1cc(Br)cc(Cl)c1O ZINC000757655233 575847794 /nfs/dbraw/zinc/84/77/94/575847794.db2.gz IUDWRIBEIWKCTL-ZETCQYMHSA-N 1 2 345.628 2.787 10 10 EFCELO CCOC(=O)C[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCC1 ZINC000768531124 577281061 /nfs/dbraw/zinc/28/10/61/577281061.db2.gz UMDGEIMDAUUYDL-UHFFFAOYSA-N 1 2 327.808 2.972 10 10 EFCELO CCOC(=O)C[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCC1 ZINC000768531124 577281062 /nfs/dbraw/zinc/28/10/62/577281062.db2.gz UMDGEIMDAUUYDL-UHFFFAOYSA-N 1 2 327.808 2.972 10 10 EFCELO CC[N@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769317425 577351630 /nfs/dbraw/zinc/35/16/30/577351630.db2.gz PKUQJBZXMNRFMN-UHFFFAOYSA-N 1 2 335.404 2.580 10 10 EFCELO CC[N@@H+](CC(=O)OC)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769317425 577351631 /nfs/dbraw/zinc/35/16/31/577351631.db2.gz PKUQJBZXMNRFMN-UHFFFAOYSA-N 1 2 335.404 2.580 10 10 EFCELO CCC[NH+](CCC)c1ccc(CN2CCOC[C@H]2C(=O)OC)cc1 ZINC000769398314 577359136 /nfs/dbraw/zinc/35/91/36/577359136.db2.gz JMGZFPXGUKXABC-SFHVURJKSA-N 1 2 334.460 2.687 10 10 EFCELO CCn1nc(C)cc1C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000726562987 577374133 /nfs/dbraw/zinc/37/41/33/577374133.db2.gz UCFMFWIWFRFCOV-UHFFFAOYSA-N 1 2 342.443 2.619 10 10 EFCELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000771632252 581228867 /nfs/dbraw/zinc/22/88/67/581228867.db2.gz FJXSBKBILCLBPC-SFHVURJKSA-N 1 2 341.455 2.805 10 10 EFCELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000771632252 581228868 /nfs/dbraw/zinc/22/88/68/581228868.db2.gz FJXSBKBILCLBPC-SFHVURJKSA-N 1 2 341.455 2.805 10 10 EFCELO COc1cc(C[N@@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)cc1C ZINC000771637186 581229215 /nfs/dbraw/zinc/22/92/15/581229215.db2.gz QWBYOMLEMQMGFL-MRXNPFEDSA-N 1 2 345.443 2.633 10 10 EFCELO COc1cc(C[N@H+]2CCOC[C@@H]2c2c(C)nn(C)c2C)c(O)cc1C ZINC000771637186 581229216 /nfs/dbraw/zinc/22/92/16/581229216.db2.gz QWBYOMLEMQMGFL-MRXNPFEDSA-N 1 2 345.443 2.633 10 10 EFCELO CC[C@H]([NH2+]Cc1nc(COC)n[nH]1)c1ccc(C(F)(F)F)cc1O ZINC000850514748 1250517791 /nfs/dbraw/zinc/51/77/91/1250517791.db2.gz QEHNJQGWZZLTKA-NSHDSACASA-N 1 2 344.337 2.916 10 10 EFCELO C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000817969703 1276411947 /nfs/dbraw/zinc/41/19/47/1276411947.db2.gz YFOFFGCUZGKGNC-RVBZMBCESA-N 1 2 331.229 2.942 10 10 EFCELO CC[N@H+](Cc1cn(C)nn1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793067159 1279352626 /nfs/dbraw/zinc/35/26/26/1279352626.db2.gz MLPPZHHPCSBDAS-UHFFFAOYSA-N 1 2 341.381 2.922 10 10 EFCELO CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793067159 1279352634 /nfs/dbraw/zinc/35/26/34/1279352634.db2.gz MLPPZHHPCSBDAS-UHFFFAOYSA-N 1 2 341.381 2.922 10 10 EFCELO COc1ccc(N2CC[NH+]([C@@H](C)c3cnc(C)cn3)CC2)cc1F ZINC000794397874 1280171748 /nfs/dbraw/zinc/17/17/48/1280171748.db2.gz HKKQHZQHYTYRND-AWEZNQCLSA-N 1 2 330.407 2.816 10 10 EFCELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816588415 1288208460 /nfs/dbraw/zinc/20/84/60/1288208460.db2.gz NSUNAWKOCDSCIW-VPJDZLOFSA-N 1 2 327.783 2.958 10 10 EFCELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816588415 1288208462 /nfs/dbraw/zinc/20/84/62/1288208462.db2.gz NSUNAWKOCDSCIW-VPJDZLOFSA-N 1 2 327.783 2.958 10 10 EFCELO COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)[nH+]cc3C)C2)cc1 ZINC000822281750 1288926630 /nfs/dbraw/zinc/92/66/30/1288926630.db2.gz SUENWUXPZBJKDW-OAHLLOKOSA-N 1 2 340.427 2.529 10 10 EFCELO CCOc1ccc(O)c(C[NH2+]C(C)(C)c2nocc2C(=O)OC)c1 ZINC000822534800 1289013378 /nfs/dbraw/zinc/01/33/78/1289013378.db2.gz XWSDPIRMZJUFMA-UHFFFAOYSA-N 1 2 334.372 2.590 10 10 EFCELO Cc1cc(Cl)cc(C[NH+]2CCN(C(=O)c3cccn3C)CC2)c1O ZINC000775645105 1293848730 /nfs/dbraw/zinc/84/87/30/1293848730.db2.gz FBZASJUZSFWBGI-UHFFFAOYSA-N 1 2 347.846 2.651 10 10 EFCELO COC(=O)C[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000775735731 1294331342 /nfs/dbraw/zinc/33/13/42/1294331342.db2.gz CMDUFVYCNVJSRQ-UHFFFAOYSA-N 1 2 328.206 2.601 10 10 EFCELO COC(=O)C[N@@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000775735731 1294331350 /nfs/dbraw/zinc/33/13/50/1294331350.db2.gz CMDUFVYCNVJSRQ-UHFFFAOYSA-N 1 2 328.206 2.601 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c1 ZINC000779203644 1298054220 /nfs/dbraw/zinc/05/42/20/1298054220.db2.gz FYGWKCRWTHQKQA-NOZJJQNGSA-N 1 2 341.249 2.549 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)c1 ZINC000779203644 1298054233 /nfs/dbraw/zinc/05/42/33/1298054233.db2.gz FYGWKCRWTHQKQA-NOZJJQNGSA-N 1 2 341.249 2.549 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1 ZINC000779203645 1298054957 /nfs/dbraw/zinc/05/49/57/1298054957.db2.gz FYGWKCRWTHQKQA-RNCFNFMXSA-N 1 2 341.249 2.549 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)c1 ZINC000779203645 1298054967 /nfs/dbraw/zinc/05/49/67/1298054967.db2.gz FYGWKCRWTHQKQA-RNCFNFMXSA-N 1 2 341.249 2.549 10 10 EFCELO COc1ccc(N2CC[C@@H](Nc3nc(N)c4ccccc4[nH+]3)C2)cc1 ZINC000853758142 1300261047 /nfs/dbraw/zinc/26/10/47/1300261047.db2.gz AJVOMGINFLUCRV-CYBMUJFWSA-N 1 2 335.411 2.911 10 10 EFCELO CN(C)c1cc(F)c(C[NH+]2CC(CO)(c3ccccc3)C2)cc1F ZINC000862394353 1302365131 /nfs/dbraw/zinc/36/51/31/1302365131.db2.gz HJJSMNWEOHQOTO-UHFFFAOYSA-N 1 2 332.394 2.777 10 10 EFCELO COC(=O)c1ccc(F)c2c1C[N@H+](Cc1c(O)cccc1OC)CC2 ZINC000862469001 1302392234 /nfs/dbraw/zinc/39/22/34/1302392234.db2.gz VVCXYYAARKUGIP-UHFFFAOYSA-N 1 2 345.370 2.885 10 10 EFCELO COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1c(O)cccc1OC)CC2 ZINC000862469001 1302392247 /nfs/dbraw/zinc/39/22/47/1302392247.db2.gz VVCXYYAARKUGIP-UHFFFAOYSA-N 1 2 345.370 2.885 10 10 EFCELO COC(=O)[C@@H](Cc1cccc(OC)c1)[NH2+]Cc1cc(C)c(C)cc1O ZINC000862475106 1302393953 /nfs/dbraw/zinc/39/39/53/1302393953.db2.gz ZAVBJBNAMNSMGM-GOSISDBHSA-N 1 2 343.423 2.892 10 10 EFCELO CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cccc(Br)c2O)C1 ZINC000862486294 1302398845 /nfs/dbraw/zinc/39/88/45/1302398845.db2.gz CKXSXLWXLHHLBI-GFCCVEGCSA-N 1 2 340.217 2.896 10 10 EFCELO C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(Br)c(F)cc1O ZINC000866442483 1303641804 /nfs/dbraw/zinc/64/18/04/1303641804.db2.gz MWTLDOASQRAKMJ-LDWIPMOCSA-N 1 2 342.155 2.961 10 10 EFCELO CNc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc[nH+]1 ZINC001346780388 1332688653 /nfs/dbraw/zinc/68/86/53/1332688653.db2.gz YEQBVLAYEQHYBK-UHFFFAOYSA-N 1 2 340.427 2.707 10 10 EFCELO Oc1c(Br)cccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848906580 1334977339 /nfs/dbraw/zinc/97/73/39/1334977339.db2.gz AUGTWSFBPNWMHA-UHFFFAOYSA-N 1 2 336.233 2.977 10 10 EFCELO O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)NCc1cc(O)ccc1O ZINC001455356648 1394593726 /nfs/dbraw/zinc/59/37/26/1394593726.db2.gz JWECRGRYXHHUDM-INIZCTEOSA-N 1 2 337.379 2.659 10 10 EFCELO Cn1cc[nH+]c1CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001468658311 1396976969 /nfs/dbraw/zinc/97/69/69/1396976969.db2.gz XFYYTQLRQUKNRK-UHFFFAOYSA-N 1 2 346.394 2.701 10 10 EFCELO O=C(NCCNc1cccc[nH+]1)c1cc2cc(O)c(O)cc2s1 ZINC001558905577 1415210144 /nfs/dbraw/zinc/21/01/44/1415210144.db2.gz IMYLLZWOFLRWDX-UHFFFAOYSA-N 1 2 329.381 2.549 10 10 EFCELO Cc1nc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CCCC2)no1 ZINC000161367690 715704697 /nfs/dbraw/zinc/70/46/97/715704697.db2.gz HBBBNCZIBLPBFA-UHFFFAOYSA-N 1 2 342.443 2.774 10 10 EFCELO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000727102312 723812829 /nfs/dbraw/zinc/81/28/29/723812829.db2.gz KUDQJPUOEIDCHO-QGZVFWFLSA-N 1 2 330.403 2.873 10 10 EFCELO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccc(F)cc1 ZINC000727102312 723812833 /nfs/dbraw/zinc/81/28/33/723812833.db2.gz KUDQJPUOEIDCHO-QGZVFWFLSA-N 1 2 330.403 2.873 10 10 EFCELO O=C(NC1CCCCC1)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179923960 719873735 /nfs/dbraw/zinc/87/37/35/719873735.db2.gz UBOZEARGMCXZGS-UHFFFAOYSA-N 1 2 335.423 2.691 10 10 EFCELO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc(F)c1O ZINC000893978489 720194000 /nfs/dbraw/zinc/19/40/00/720194000.db2.gz UETQVFQGROYSBE-NSHDSACASA-N 1 2 345.212 2.524 10 10 EFCELO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(Br)cc(F)c1O ZINC000893978489 720194003 /nfs/dbraw/zinc/19/40/03/720194003.db2.gz UETQVFQGROYSBE-NSHDSACASA-N 1 2 345.212 2.524 10 10 EFCELO Cc1c(C[N@H+](C)Cc2cc(Br)cc(F)c2O)cnn1C ZINC000894594658 722793342 /nfs/dbraw/zinc/79/33/42/722793342.db2.gz BMMNEJHTPLAJFW-UHFFFAOYSA-N 1 2 342.212 2.968 10 10 EFCELO Cc1c(C[N@@H+](C)Cc2cc(Br)cc(F)c2O)cnn1C ZINC000894594658 722793343 /nfs/dbraw/zinc/79/33/43/722793343.db2.gz BMMNEJHTPLAJFW-UHFFFAOYSA-N 1 2 342.212 2.968 10 10 EFCELO Oc1c(Cl)cccc1C[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071455 723179569 /nfs/dbraw/zinc/17/95/69/723179569.db2.gz ODLKRDVUZVYLJH-UHFFFAOYSA-N 1 2 333.819 2.833 10 10 EFCELO Oc1c(Cl)cccc1C[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000895071455 723179570 /nfs/dbraw/zinc/17/95/70/723179570.db2.gz ODLKRDVUZVYLJH-UHFFFAOYSA-N 1 2 333.819 2.833 10 10 EFCELO CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2cc[nH+]c2)cc1 ZINC000915215622 726900509 /nfs/dbraw/zinc/90/05/09/726900509.db2.gz APPJRVRFROBMQO-UHFFFAOYSA-N 1 2 338.411 2.771 10 10 EFCELO C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624629751 1099714011 /nfs/dbraw/zinc/71/40/11/1099714011.db2.gz BJCZOVDDCWRSDD-HNNXBMFYSA-N 1 2 326.444 2.847 10 10 EFCELO C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001624629751 1099714016 /nfs/dbraw/zinc/71/40/16/1099714016.db2.gz BJCZOVDDCWRSDD-HNNXBMFYSA-N 1 2 326.444 2.847 10 10 EFCELO O=C(Cc1ccc(O)c(O)c1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001626266164 1099857189 /nfs/dbraw/zinc/85/71/89/1099857189.db2.gz MNQMXPDJHFVPIK-UHFFFAOYSA-N 1 2 327.315 2.604 10 10 EFCELO O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001636678023 1100732772 /nfs/dbraw/zinc/73/27/72/1100732772.db2.gz ZTBGUJJTDNBLDW-LKUPDRCFSA-N 1 2 349.390 2.865 10 10 EFCELO O=C(NCc1c(O)cccc1F)c1cccc(Cn2cc[nH+]c2)c1 ZINC001652298978 1101471626 /nfs/dbraw/zinc/47/16/26/1101471626.db2.gz WVJMGMLURHHIFZ-UHFFFAOYSA-N 1 2 325.343 2.706 10 10 EFCELO CCOc1ccc(N2CC[NH+]([C@@H](C(=O)OC)[C@H](C)CC)CC2)cc1 ZINC001652964687 1101571932 /nfs/dbraw/zinc/57/19/32/1101571932.db2.gz PMFMXBPWHZOJAN-CRAIPNDOSA-N 1 2 334.460 2.795 10 10 EFCELO CO[C@@H](C)c1noc(C[N@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000748092274 1101739864 /nfs/dbraw/zinc/73/98/64/1101739864.db2.gz CNVOQTDCPCOOFH-NSHDSACASA-N 1 2 328.372 2.663 10 10 EFCELO CO[C@@H](C)c1noc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)n1 ZINC000748092274 1101739877 /nfs/dbraw/zinc/73/98/77/1101739877.db2.gz CNVOQTDCPCOOFH-NSHDSACASA-N 1 2 328.372 2.663 10 10 EFCELO CC[C@@H](C)[C@@H](C(=O)OC)[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001168068445 1102317323 /nfs/dbraw/zinc/31/73/23/1102317323.db2.gz NJZHENJMLAOEQI-DYVFJYSZSA-N 1 2 338.423 2.544 10 10 EFCELO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000841890741 1105843574 /nfs/dbraw/zinc/84/35/74/1105843574.db2.gz FHJKAILVKYIYJR-GHMZBOCLSA-N 1 2 333.259 2.586 10 10 EFCELO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cc(Cl)cc(Cl)c1O ZINC000841890741 1105843575 /nfs/dbraw/zinc/84/35/75/1105843575.db2.gz FHJKAILVKYIYJR-GHMZBOCLSA-N 1 2 333.259 2.586 10 10 EFCELO COC(=O)COc1ccc(N(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000183813494 1118782388 /nfs/dbraw/zinc/78/23/88/1118782388.db2.gz BVUBEXFFENTDOR-UHFFFAOYSA-N 1 2 344.411 2.895 10 10 EFCELO CN(C)c1noc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000192693000 240060978 /nfs/dbraw/zinc/06/09/78/240060978.db2.gz VKGJZRXNSYQJQF-UHFFFAOYSA-N 1 2 329.448 2.758 10 10 EFCELO CN(C)c1noc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000192693000 240060987 /nfs/dbraw/zinc/06/09/87/240060987.db2.gz VKGJZRXNSYQJQF-UHFFFAOYSA-N 1 2 329.448 2.758 10 10 EFCELO C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245771577 240262300 /nfs/dbraw/zinc/26/23/00/240262300.db2.gz RXIYIIJCMYBIGV-XHDPSFHLSA-N 1 2 345.270 2.852 10 10 EFCELO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2O)C[C@H]1N1CCOCC1 ZINC000245771577 240262303 /nfs/dbraw/zinc/26/23/03/240262303.db2.gz RXIYIIJCMYBIGV-XHDPSFHLSA-N 1 2 345.270 2.852 10 10 EFCELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000248806901 240296332 /nfs/dbraw/zinc/29/63/32/240296332.db2.gz GYVIZCKLAPHNDM-XFJVYGCCSA-N 1 2 335.375 2.507 10 10 EFCELO CN(C)c1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000263738377 240387062 /nfs/dbraw/zinc/38/70/62/240387062.db2.gz VINGEXWOAXNEDE-UHFFFAOYSA-N 1 2 327.432 2.565 10 10 EFCELO CN(C)c1ccc(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000263759380 240392274 /nfs/dbraw/zinc/39/22/74/240392274.db2.gz GNYZEBMJVHWKGJ-UHFFFAOYSA-N 1 2 345.422 2.704 10 10 EFCELO C[N@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521297 241054472 /nfs/dbraw/zinc/05/44/72/241054472.db2.gz ZYVDWZGBJZOOKD-ZFWWWQNUSA-N 1 2 349.855 2.972 10 10 EFCELO C[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000295521297 241054477 /nfs/dbraw/zinc/05/44/77/241054477.db2.gz ZYVDWZGBJZOOKD-ZFWWWQNUSA-N 1 2 349.855 2.972 10 10 EFCELO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1[nH+]ccn1CC ZINC000298093603 241142937 /nfs/dbraw/zinc/14/29/37/241142937.db2.gz LTDMFTMXKDVXBH-UHFFFAOYSA-N 1 2 329.448 2.701 10 10 EFCELO CN(c1cccnn1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000180080293 289786267 /nfs/dbraw/zinc/78/62/67/289786267.db2.gz MUQLNJANQMCMCJ-UHFFFAOYSA-N 1 2 332.835 2.936 10 10 EFCELO [NH3+][C@@H](CO)c1cc(Br)c(Cl)c(Br)c1O ZINC000072199936 295295462 /nfs/dbraw/zinc/29/54/62/295295462.db2.gz AISMUWGKTKNKTO-YFKPBYRVSA-N 1 2 345.418 2.563 10 10 EFCELO COc1cc[nH+]cc1NC(=O)/C=C\c1ccc(N2CCOCC2)cc1 ZINC000096034902 473258430 /nfs/dbraw/zinc/25/84/30/473258430.db2.gz GWSMOTDQXWJXNL-DAXSKMNVSA-N 1 2 339.395 2.579 10 10 EFCELO C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)N1CCOC[C@@H]1C ZINC000112377951 473262456 /nfs/dbraw/zinc/26/24/56/473262456.db2.gz QDJYVNCVIPWIOM-QWRGUYRKSA-N 1 2 333.259 2.898 10 10 EFCELO O=C1CCCN1c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000071792525 472565888 /nfs/dbraw/zinc/56/58/88/472565888.db2.gz GHQLSRNRMKPHIY-UHFFFAOYSA-N 1 2 341.367 2.717 10 10 EFCELO c1csc([C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092831526 472995523 /nfs/dbraw/zinc/99/55/23/472995523.db2.gz FBRANZWGBXNTOG-KRWDZBQOSA-N 1 2 345.468 2.553 10 10 EFCELO c1csc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092831526 472995529 /nfs/dbraw/zinc/99/55/29/472995529.db2.gz FBRANZWGBXNTOG-KRWDZBQOSA-N 1 2 345.468 2.553 10 10 EFCELO c1csc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092831527 472996329 /nfs/dbraw/zinc/99/63/29/472996329.db2.gz FBRANZWGBXNTOG-QGZVFWFLSA-N 1 2 345.468 2.553 10 10 EFCELO c1csc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)n1 ZINC000092831527 472996334 /nfs/dbraw/zinc/99/63/34/472996334.db2.gz FBRANZWGBXNTOG-QGZVFWFLSA-N 1 2 345.468 2.553 10 10 EFCELO COc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2c2ccc(F)cc2C)c1O ZINC000185624466 473470913 /nfs/dbraw/zinc/47/09/13/473470913.db2.gz LPYFGBGNBWGYQV-KRWDZBQOSA-N 1 2 344.386 2.521 10 10 EFCELO COc1cccc(C[N@H+]2CCNC(=O)[C@@H]2c2ccc(F)cc2C)c1O ZINC000185624466 473470915 /nfs/dbraw/zinc/47/09/15/473470915.db2.gz LPYFGBGNBWGYQV-KRWDZBQOSA-N 1 2 344.386 2.521 10 10 EFCELO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282973926 474260564 /nfs/dbraw/zinc/26/05/64/474260564.db2.gz IWFHJHBQPBQODA-CZUORRHYSA-N 1 2 325.836 2.703 10 10 EFCELO Oc1cccc(Cl)c1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000271379816 474517500 /nfs/dbraw/zinc/51/75/00/474517500.db2.gz RGYKQEQXWAISSP-WBMJQRKESA-N 1 2 337.803 2.963 10 10 EFCELO Oc1cccc(Cl)c1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000271379816 474517506 /nfs/dbraw/zinc/51/75/06/474517506.db2.gz RGYKQEQXWAISSP-WBMJQRKESA-N 1 2 337.803 2.963 10 10 EFCELO CCOCc1nc([C@@H](C)[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)no1 ZINC000290276341 474564035 /nfs/dbraw/zinc/56/40/35/474564035.db2.gz WRZPGELHXCWUGE-GHMZBOCLSA-N 1 2 349.387 2.510 10 10 EFCELO CCN(CC)c1ccc(CNc2nc3c(cnn3C)c(N)[nH+]2)cc1F ZINC000278463140 474651293 /nfs/dbraw/zinc/65/12/93/474651293.db2.gz SWDPDRKIPLWKAG-UHFFFAOYSA-N 1 2 343.410 2.543 10 10 EFCELO CCOc1ccc([N@H+](CC)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000267905386 474703446 /nfs/dbraw/zinc/70/34/46/474703446.db2.gz DCHRBSSGGLTWCR-OAHLLOKOSA-N 1 2 340.489 2.583 10 10 EFCELO CCOc1ccc([N@@H+](CC)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000267905386 474703454 /nfs/dbraw/zinc/70/34/54/474703454.db2.gz DCHRBSSGGLTWCR-OAHLLOKOSA-N 1 2 340.489 2.583 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000285393897 475003931 /nfs/dbraw/zinc/00/39/31/475003931.db2.gz SQBQSVUFJMXDPQ-QGZVFWFLSA-N 1 2 339.819 2.630 10 10 EFCELO CC(=O)c1cc(Cl)cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1O ZINC000285393897 475003940 /nfs/dbraw/zinc/00/39/40/475003940.db2.gz SQBQSVUFJMXDPQ-QGZVFWFLSA-N 1 2 339.819 2.630 10 10 EFCELO CCOCc1nc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)no1 ZINC000293859481 475055146 /nfs/dbraw/zinc/05/51/46/475055146.db2.gz IEUIFBGUAIEYOV-MRVPVSSYSA-N 1 2 329.759 2.955 10 10 EFCELO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)O2 ZINC000294518047 475070659 /nfs/dbraw/zinc/07/06/59/475070659.db2.gz CHZPTTYKXHLHRM-GLKRBJQHSA-N 1 2 329.799 2.953 10 10 EFCELO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H](C)O2 ZINC000294518047 475070664 /nfs/dbraw/zinc/07/06/64/475070664.db2.gz CHZPTTYKXHLHRM-GLKRBJQHSA-N 1 2 329.799 2.953 10 10 EFCELO CCS(=O)(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294681354 475077842 /nfs/dbraw/zinc/07/78/42/475077842.db2.gz MXVHSCHPRJGOAN-UHFFFAOYSA-N 1 2 335.828 2.584 10 10 EFCELO CCOc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 ZINC000378366105 476703059 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CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2c2ccc(=O)[nH]n2)c1O ZINC000528790921 478935885 /nfs/dbraw/zinc/93/58/85/478935885.db2.gz NNFLKQSODBOZSR-HNNXBMFYSA-N 1 2 331.347 2.567 10 10 EFCELO Cc1cc(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000529677010 479245188 /nfs/dbraw/zinc/24/51/88/479245188.db2.gz OVTNTMCPEUMKQS-NEPJUHHUSA-N 1 2 329.849 2.506 10 10 EFCELO Cc1cc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(Cl)c1 ZINC000529677010 479245193 /nfs/dbraw/zinc/24/51/93/479245193.db2.gz OVTNTMCPEUMKQS-NEPJUHHUSA-N 1 2 329.849 2.506 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000366566493 536153846 /nfs/dbraw/zinc/15/38/46/536153846.db2.gz AGYFSIOVQDEFKB-YJBOKZPZSA-N 1 2 337.391 2.504 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C[C@]2(CCOC2)O1 ZINC000366566493 536153850 /nfs/dbraw/zinc/15/38/50/536153850.db2.gz AGYFSIOVQDEFKB-YJBOKZPZSA-N 1 2 337.391 2.504 10 10 EFCELO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756395211 575730263 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ZAKKVTQBBRVYBZ-FZMZJTMJSA-N 1 2 325.840 2.890 10 10 EFCELO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217353 473838617 /nfs/dbraw/zinc/83/86/17/473838617.db2.gz IGQWJCVHCYVTAM-ZBFHGGJFSA-N 1 2 348.349 2.551 10 10 EFCELO C[N@H+]1CC[C@@H](NC(=O)c2cccc(O)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000187217353 473838625 /nfs/dbraw/zinc/83/86/25/473838625.db2.gz IGQWJCVHCYVTAM-ZBFHGGJFSA-N 1 2 348.349 2.551 10 10 EFCELO C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)c(F)c1O ZINC000187735115 473911321 /nfs/dbraw/zinc/91/13/21/473911321.db2.gz MKORIRZQMNTYED-VXGBXAGGSA-N 1 2 336.386 2.724 10 10 EFCELO Oc1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180747609 473956153 /nfs/dbraw/zinc/95/61/53/473956153.db2.gz SECOIYOIWHILRF-ZFWWWQNUSA-N 1 2 337.803 2.963 10 10 EFCELO Oc1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000180747609 473956158 /nfs/dbraw/zinc/95/61/58/473956158.db2.gz SECOIYOIWHILRF-ZFWWWQNUSA-N 1 2 337.803 2.963 10 10 EFCELO 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ZINC000375254586 476740883 /nfs/dbraw/zinc/74/08/83/476740883.db2.gz MLKVGGMPQUTEBS-HNNXBMFYSA-N 1 2 335.835 2.969 10 10 EFCELO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc(Cl)c1O ZINC000375254586 476740890 /nfs/dbraw/zinc/74/08/90/476740890.db2.gz MLKVGGMPQUTEBS-HNNXBMFYSA-N 1 2 335.835 2.969 10 10 EFCELO COc1cc(Br)cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000375330917 476783361 /nfs/dbraw/zinc/78/33/61/476783361.db2.gz GWLDZSCNXHPPJC-AWEZNQCLSA-N 1 2 342.233 2.774 10 10 EFCELO COc1cc(Br)cc(C[N@H+]2CCO[C@H](C3CC3)C2)c1O ZINC000375330917 476783367 /nfs/dbraw/zinc/78/33/67/476783367.db2.gz GWLDZSCNXHPPJC-AWEZNQCLSA-N 1 2 342.233 2.774 10 10 EFCELO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000367830442 477708510 /nfs/dbraw/zinc/70/85/10/477708510.db2.gz CFDRKGYBOUMLMY-CYBMUJFWSA-N 1 2 331.865 2.835 10 10 EFCELO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000367830442 477708511 /nfs/dbraw/zinc/70/85/11/477708511.db2.gz CFDRKGYBOUMLMY-CYBMUJFWSA-N 1 2 331.865 2.835 10 10 EFCELO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000367830443 477708697 /nfs/dbraw/zinc/70/86/97/477708697.db2.gz CFDRKGYBOUMLMY-ZDUSSCGKSA-N 1 2 331.865 2.835 10 10 EFCELO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1O ZINC000367830443 477708707 /nfs/dbraw/zinc/70/87/07/477708707.db2.gz CFDRKGYBOUMLMY-ZDUSSCGKSA-N 1 2 331.865 2.835 10 10 EFCELO CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000294285167 536523649 /nfs/dbraw/zinc/52/36/49/536523649.db2.gz PAZLJIMQRFZWDA-MRVPVSSYSA-N 1 2 329.759 2.907 10 10 EFCELO CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000294285167 536523653 /nfs/dbraw/zinc/52/36/53/536523653.db2.gz PAZLJIMQRFZWDA-MRVPVSSYSA-N 1 2 329.759 2.907 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(O)ccc(Cl)c3F)[C@H]2C1 ZINC000248845129 536700015 /nfs/dbraw/zinc/70/00/15/536700015.db2.gz MYCWEHHVSYCKEL-DGFSRKRXSA-N 1 2 329.799 2.953 10 10 EFCELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(O)ccc(Cl)c3F)[C@H]2C1 ZINC000248845129 536700025 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CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2CCO)c1O ZINC000759726069 575927046 /nfs/dbraw/zinc/92/70/46/575927046.db2.gz CIAQUZIEMDKPRY-ZDUSSCGKSA-N 1 2 329.849 2.548 10 10 EFCELO CCOC(=O)[C@@H](Cc1ccccn1)[NH2+]Cc1cc(Cl)ccc1O ZINC000763480569 576378845 /nfs/dbraw/zinc/37/88/45/576378845.db2.gz OAKGNENFEZVKFD-OAHLLOKOSA-N 1 2 334.803 2.705 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000763646700 576383804 /nfs/dbraw/zinc/38/38/04/576383804.db2.gz AFDSTXWCDCSBAC-NSPYISDASA-N 1 2 346.290 2.664 10 10 EFCELO Cc1cc(Br)c(O)c(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)c1 ZINC000763646700 576383806 /nfs/dbraw/zinc/38/38/06/576383806.db2.gz AFDSTXWCDCSBAC-NSPYISDASA-N 1 2 346.290 2.664 10 10 EFCELO C[N@@H+]1CC[C@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419938 577040486 /nfs/dbraw/zinc/04/04/86/577040486.db2.gz YZOOYSYTLQPHAY-DZGCQCFKSA-N 1 2 338.379 2.907 10 10 EFCELO C[N@H+]1CC[C@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(F)c(F)c1 ZINC000765419938 577040488 /nfs/dbraw/zinc/04/04/88/577040488.db2.gz YZOOYSYTLQPHAY-DZGCQCFKSA-N 1 2 338.379 2.907 10 10 EFCELO CCC[NH+](CCC)c1ccc([C@@H]2NC(=O)[C@@H]3CSCCN32)cc1 ZINC000765511863 577049308 /nfs/dbraw/zinc/04/93/08/577049308.db2.gz CUMMZUNFFDJFOV-DLBZAZTESA-N 1 2 333.501 2.859 10 10 EFCELO CCOc1ccc(O)c(C[N@@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1 ZINC000765678340 577065416 /nfs/dbraw/zinc/06/54/16/577065416.db2.gz CDQSNUSQXASUJU-UHFFFAOYSA-N 1 2 344.386 2.779 10 10 EFCELO CCOc1ccc(O)c(C[N@H+]2CCN(c3cccc(F)c3)C(=O)C2)c1 ZINC000765678340 577065419 /nfs/dbraw/zinc/06/54/19/577065419.db2.gz CDQSNUSQXASUJU-UHFFFAOYSA-N 1 2 344.386 2.779 10 10 EFCELO CCN(CC)c1ccc(C[NH+]2CCN(C(=O)C(C)C)CC2)cc1F ZINC000768184015 577259812 /nfs/dbraw/zinc/25/98/12/577259812.db2.gz DERXYOOKWGOXFY-UHFFFAOYSA-N 1 2 335.467 2.972 10 10 EFCELO Oc1cc2c(cc1C[N@@H+]1CCc3ccc(F)c(F)c3C1)[C@H](O)CO2 ZINC000768462499 577275614 /nfs/dbraw/zinc/27/56/14/577275614.db2.gz MAMUZWRMDNHKMM-MRXNPFEDSA-N 1 2 333.334 2.655 10 10 EFCELO Oc1cc2c(cc1C[N@H+]1CCc3ccc(F)c(F)c3C1)[C@H](O)CO2 ZINC000768462499 577275616 /nfs/dbraw/zinc/27/56/16/577275616.db2.gz MAMUZWRMDNHKMM-MRXNPFEDSA-N 1 2 333.334 2.655 10 10 EFCELO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000769499464 577367448 /nfs/dbraw/zinc/36/74/48/577367448.db2.gz YPONLTPSSOBKBG-BBRMVZONSA-N 1 2 344.377 2.675 10 10 EFCELO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000769499464 577367449 /nfs/dbraw/zinc/36/74/49/577367449.db2.gz YPONLTPSSOBKBG-BBRMVZONSA-N 1 2 344.377 2.675 10 10 EFCELO CCOc1ccc(O)c(C[N@@H+](C)Cc2nc([C@H](C)OCC)no2)c1 ZINC000769501720 577367841 /nfs/dbraw/zinc/36/78/41/577367841.db2.gz ACCFQISBNLLNTI-LBPRGKRZSA-N 1 2 335.404 2.903 10 10 EFCELO CCOc1ccc(O)c(C[N@H+](C)Cc2nc([C@H](C)OCC)no2)c1 ZINC000769501720 577367842 /nfs/dbraw/zinc/36/78/42/577367842.db2.gz ACCFQISBNLLNTI-LBPRGKRZSA-N 1 2 335.404 2.903 10 10 EFCELO COCc1ccc(C(=O)NC2CC[NH+](c3ccc(OC)cc3)CC2)o1 ZINC000726560910 577372477 /nfs/dbraw/zinc/37/24/77/577372477.db2.gz WEVMFXYBOQPCEN-UHFFFAOYSA-N 1 2 344.411 2.833 10 10 EFCELO COc1ccc([NH+]2CCC(NC(=O)N3CCCSCC3)CC2)cc1 ZINC000726713687 577381497 /nfs/dbraw/zinc/38/14/97/577381497.db2.gz PVUUBROHLVSAGR-UHFFFAOYSA-N 1 2 349.500 2.813 10 10 EFCELO CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770350482 577412342 /nfs/dbraw/zinc/41/23/42/577412342.db2.gz HLCUBSRXFRMXPS-YJBOKZPZSA-N 1 2 347.411 2.708 10 10 EFCELO CCOc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770350482 577412343 /nfs/dbraw/zinc/41/23/43/577412343.db2.gz HLCUBSRXFRMXPS-YJBOKZPZSA-N 1 2 347.411 2.708 10 10 EFCELO CCOc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770350480 577412350 /nfs/dbraw/zinc/41/23/50/577412350.db2.gz HLCUBSRXFRMXPS-QAPCUYQASA-N 1 2 347.411 2.708 10 10 EFCELO CCOc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c(O)c1 ZINC000770350480 577412351 /nfs/dbraw/zinc/41/23/51/577412351.db2.gz HLCUBSRXFRMXPS-QAPCUYQASA-N 1 2 347.411 2.708 10 10 EFCELO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ncnc32)c1 ZINC000850351863 1250445577 /nfs/dbraw/zinc/44/55/77/1250445577.db2.gz JHGDPDGCYPPSJH-BXKDBHETSA-N 1 2 337.221 2.850 10 10 EFCELO C[C@@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)cc(F)c1O ZINC000850560325 1250538020 /nfs/dbraw/zinc/53/80/20/1250538020.db2.gz DIJDCXRXGNJBFS-DGCLKSJQSA-N 1 2 339.386 2.611 10 10 EFCELO C[C@H]([NH2+]CCN1C[C@H]2CCCCN2C1=O)c1cc(F)cc(F)c1O ZINC000850560326 1250538101 /nfs/dbraw/zinc/53/81/01/1250538101.db2.gz DIJDCXRXGNJBFS-WCQYABFASA-N 1 2 339.386 2.611 10 10 EFCELO CN(CC[NH+]1CCCC1)Cc1cc(Br)cc(F)c1O ZINC000715734945 1263861492 /nfs/dbraw/zinc/86/14/92/1263861492.db2.gz BEDCOLOXTDGTER-UHFFFAOYSA-N 1 2 331.229 2.821 10 10 EFCELO COc1cccc(CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)c1O ZINC000738918331 1268599723 /nfs/dbraw/zinc/59/97/23/1268599723.db2.gz AUBBBCSVVQIESJ-UHFFFAOYSA-N 1 2 326.356 2.679 10 10 EFCELO CCO[C@@H](C)c1noc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000743372764 1270554646 /nfs/dbraw/zinc/55/46/46/1270554646.db2.gz UQMZERATVVJIQC-LBPRGKRZSA-N 1 2 331.416 2.993 10 10 EFCELO CCO[C@@H](C)c1noc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)n1 ZINC000743372764 1270554652 /nfs/dbraw/zinc/55/46/52/1270554652.db2.gz UQMZERATVVJIQC-LBPRGKRZSA-N 1 2 331.416 2.993 10 10 EFCELO Cn1cc[nH+]c1C[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC000790809444 1277760331 /nfs/dbraw/zinc/76/03/31/1277760331.db2.gz VYKCPBFOAUBVGX-HNNXBMFYSA-N 1 2 337.379 2.545 10 10 EFCELO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000793361760 1279567408 /nfs/dbraw/zinc/56/74/08/1279567408.db2.gz PWIRPNFYIVNJTM-CJNGLKHVSA-N 1 2 329.799 2.955 10 10 EFCELO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)C[C@]2(CCOC2)O1 ZINC000793361760 1279567413 /nfs/dbraw/zinc/56/74/13/1279567413.db2.gz PWIRPNFYIVNJTM-CJNGLKHVSA-N 1 2 329.799 2.955 10 10 EFCELO CCCN(Cc1ccccc1O)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845790346 1279848449 /nfs/dbraw/zinc/84/84/49/1279848449.db2.gz CPWJCXGJAPNYHL-UHFFFAOYSA-N 1 2 327.428 2.906 10 10 EFCELO C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(N(C)C)cc1 ZINC000845955683 1279933790 /nfs/dbraw/zinc/93/37/90/1279933790.db2.gz CANTYBAGCKDTDU-CQSZACIVSA-N 1 2 326.444 2.705 10 10 EFCELO CCOC(=O)c1c(C)onc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000809971846 1282663852 /nfs/dbraw/zinc/66/38/52/1282663852.db2.gz MFFQUZKDUYNPNR-SNVBAGLBSA-N 1 2 334.372 2.725 10 10 EFCELO O=C(c1cc2cc(O)c(O)cc2s1)N1CC(Oc2cc[nH+]cc2)C1 ZINC001136641086 1289134222 /nfs/dbraw/zinc/13/42/22/1289134222.db2.gz VGWXVFNATNYCTE-UHFFFAOYSA-N 1 2 342.376 2.611 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cc(Cl)c(F)cc3O)[C@@H]2C1 ZINC000816521098 1288170522 /nfs/dbraw/zinc/17/05/22/1288170522.db2.gz HFDKMWWNWCJJBX-DJSGYFEHSA-N 1 2 329.799 2.953 10 10 EFCELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(Cl)c(F)cc3O)[C@@H]2C1 ZINC000816521098 1288170526 /nfs/dbraw/zinc/17/05/26/1288170526.db2.gz HFDKMWWNWCJJBX-DJSGYFEHSA-N 1 2 329.799 2.953 10 10 EFCELO CC(C)C(=O)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816534538 1288194926 /nfs/dbraw/zinc/19/49/26/1288194926.db2.gz MKJQPAKLSUQLLC-UHFFFAOYSA-N 1 2 328.815 2.921 10 10 EFCELO CC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000816596882 1288219294 /nfs/dbraw/zinc/21/92/94/1288219294.db2.gz VLTFSTWJOYMOTD-WBMJQRKESA-N 1 2 329.799 2.955 10 10 EFCELO CC[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2O)C[C@]2(CCOC2)O1 ZINC000816596882 1288219298 /nfs/dbraw/zinc/21/92/98/1288219298.db2.gz VLTFSTWJOYMOTD-WBMJQRKESA-N 1 2 329.799 2.955 10 10 EFCELO COc1c(O)c(C[N@@H+]2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667386 1288235513 /nfs/dbraw/zinc/23/55/13/1288235513.db2.gz LTANBGYIZJGITC-CQSZACIVSA-N 1 2 336.388 2.700 10 10 EFCELO COc1c(O)c(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc1[N+](=O)[O-] ZINC000816667386 1288235522 /nfs/dbraw/zinc/23/55/22/1288235522.db2.gz LTANBGYIZJGITC-CQSZACIVSA-N 1 2 336.388 2.700 10 10 EFCELO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2O)[C@H]1n1cccn1 ZINC000816671879 1288238851 /nfs/dbraw/zinc/23/88/51/1288238851.db2.gz JVBBDXZMGHQGEB-RRFJBIMHSA-N 1 2 339.798 2.890 10 10 EFCELO Oc1c(Br)cccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000825710564 1290168896 /nfs/dbraw/zinc/16/88/96/1290168896.db2.gz TYSCTYCFTLBCIW-UHFFFAOYSA-N 1 2 337.221 2.761 10 10 EFCELO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1[nH]nc2c1COCC2 ZINC000929969881 1297220227 /nfs/dbraw/zinc/22/02/27/1297220227.db2.gz FGYDMCRADFFIJS-UHFFFAOYSA-N 1 2 339.395 2.983 10 10 EFCELO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1[nH]nc2c1COCC2 ZINC000929969881 1297220234 /nfs/dbraw/zinc/22/02/34/1297220234.db2.gz FGYDMCRADFFIJS-UHFFFAOYSA-N 1 2 339.395 2.983 10 10 EFCELO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)C1CCC1 ZINC000851840227 1299427765 /nfs/dbraw/zinc/42/77/65/1299427765.db2.gz COGTVKHIJOQAKA-MRXNPFEDSA-N 1 2 341.835 2.836 10 10 EFCELO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](OC)C1CCC1 ZINC000851840227 1299427766 /nfs/dbraw/zinc/42/77/66/1299427766.db2.gz COGTVKHIJOQAKA-MRXNPFEDSA-N 1 2 341.835 2.836 10 10 EFCELO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](CC(F)(F)F)O1 ZINC000853612579 1300192351 /nfs/dbraw/zinc/19/23/51/1300192351.db2.gz AXGLIBLGQPLOKB-KOLCDFICSA-N 1 2 333.306 2.663 10 10 EFCELO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](CC(F)(F)F)O1 ZINC000853612579 1300192358 /nfs/dbraw/zinc/19/23/58/1300192358.db2.gz AXGLIBLGQPLOKB-KOLCDFICSA-N 1 2 333.306 2.663 10 10 EFCELO COc1ccc(N2CC[C@H](Nc3cc(NC4CC4)[nH+]cn3)C2)cc1 ZINC000853759978 1300261685 /nfs/dbraw/zinc/26/16/85/1300261685.db2.gz GFSSSBYHMBQOCY-AWEZNQCLSA-N 1 2 325.416 2.750 10 10 EFCELO COc1ccc(N2CC[C@H](Nc3cc(NC4CC4)nc[nH+]3)C2)cc1 ZINC000853759978 1300261693 /nfs/dbraw/zinc/26/16/93/1300261693.db2.gz GFSSSBYHMBQOCY-AWEZNQCLSA-N 1 2 325.416 2.750 10 10 EFCELO Cc1nc2[nH]ccc2c(NCc2ccc(N3CCC(O)CC3)cc2)[nH+]1 ZINC000853955892 1300363028 /nfs/dbraw/zinc/36/30/28/1300363028.db2.gz KPCZHIHNHUTYDL-UHFFFAOYSA-N 1 2 337.427 2.840 10 10 EFCELO CC[NH+]1CCN(c2ccc(CNCc3oc(C)nc3C)cc2F)CC1 ZINC000862277896 1302327333 /nfs/dbraw/zinc/32/73/33/1302327333.db2.gz PCYIKUNUBSOBLU-UHFFFAOYSA-N 1 2 346.450 2.862 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCOC2)O1 ZINC000862351757 1302342847 /nfs/dbraw/zinc/34/28/47/1302342847.db2.gz SZZKWRIFHFONLB-KBXCAEBGSA-N 1 2 340.414 2.801 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@]2(CCOC2)O1 ZINC000862351757 1302342856 /nfs/dbraw/zinc/34/28/56/1302342856.db2.gz SZZKWRIFHFONLB-KBXCAEBGSA-N 1 2 340.414 2.801 10 10 EFCELO C[C@](CO)([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(O)c1 ZINC000862432643 1302383030 /nfs/dbraw/zinc/38/30/30/1302383030.db2.gz LTTVQMZRRGCVGI-MRXNPFEDSA-N 1 2 325.767 2.888 10 10 EFCELO C[C@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(Cl)cc1O ZINC000866439344 1303639701 /nfs/dbraw/zinc/63/97/01/1303639701.db2.gz FYHRWCMZMQEFKR-JTQLQIEISA-N 1 2 336.823 2.909 10 10 EFCELO C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(Br)cc(F)c1O ZINC000866441974 1303641855 /nfs/dbraw/zinc/64/18/55/1303641855.db2.gz BFMPMFPZGJCXDW-QUBYGPBYSA-N 1 2 342.155 2.961 10 10 EFCELO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1O ZINC000868035170 1304089135 /nfs/dbraw/zinc/08/91/35/1304089135.db2.gz IPWFUFIYXCULSU-ZDUSSCGKSA-N 1 2 328.416 2.528 10 10 EFCELO O=C(NCc1cccc(Cl)c1O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001159041538 1311439803 /nfs/dbraw/zinc/43/98/03/1311439803.db2.gz QYPZEMWLISUXRI-UHFFFAOYSA-N 1 2 343.770 2.867 10 10 EFCELO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1cc(Br)c(F)cc1O ZINC000903260647 1312516283 /nfs/dbraw/zinc/51/62/83/1312516283.db2.gz PXXJLWKULPYGBF-AFPNSQJFSA-N 1 2 345.212 2.598 10 10 EFCELO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000903327721 1312573330 /nfs/dbraw/zinc/57/33/30/1312573330.db2.gz XWESYVIXLWKTRV-ZBEGNZNMSA-N 1 2 327.384 2.771 10 10 EFCELO CCCN(C)CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000827722267 1316012648 /nfs/dbraw/zinc/01/26/48/1316012648.db2.gz DXEHKMBUQRJMIE-UHFFFAOYSA-N 1 2 325.409 2.519 10 10 EFCELO O=C(NCc1c(O)cccc1F)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001333661725 1331189855 /nfs/dbraw/zinc/18/98/55/1331189855.db2.gz WQYCPSXNSMWRBU-KRWDZBQOSA-N 1 2 343.402 2.597 10 10 EFCELO O=C(NCc1c(O)cccc1F)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001333661725 1331189860 /nfs/dbraw/zinc/18/98/60/1331189860.db2.gz WQYCPSXNSMWRBU-KRWDZBQOSA-N 1 2 343.402 2.597 10 10 EFCELO C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848923006 1334989934 /nfs/dbraw/zinc/98/99/34/1334989934.db2.gz BOPCTXGJKCRJHZ-UTUOFQBUSA-N 1 2 330.831 2.772 10 10 EFCELO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473610076 1397314263 /nfs/dbraw/zinc/31/42/63/1397314263.db2.gz KTCPMTCJNOJBLV-IBGZPJMESA-N 1 2 342.439 2.978 10 10 EFCELO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001473610076 1397314265 /nfs/dbraw/zinc/31/42/65/1397314265.db2.gz KTCPMTCJNOJBLV-IBGZPJMESA-N 1 2 342.439 2.978 10 10 EFCELO Cc1[nH+]c[nH]c1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001556879051 1415093269 /nfs/dbraw/zinc/09/32/69/1415093269.db2.gz ABALZRNULNHYLM-UHFFFAOYSA-N 1 2 332.367 2.609 10 10 EFCELO Cc1noc([C@@H](C)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)n1 ZINC000121284604 723892432 /nfs/dbraw/zinc/89/24/32/723892432.db2.gz RKWUPACZXFKUOK-LLVKDONJSA-N 1 2 336.823 2.616 10 10 EFCELO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(C)n1-c1ccccn1 ZINC000177801474 718202154 /nfs/dbraw/zinc/20/21/54/718202154.db2.gz WNUVGSCTGOAGDY-QGZVFWFLSA-N 1 2 349.438 2.990 10 10 EFCELO C[C@H](O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893993157 720199403 /nfs/dbraw/zinc/19/94/03/720199403.db2.gz BWYOANLJKFNGKY-VIFPVBQESA-N 1 2 332.213 2.887 10 10 EFCELO Oc1c(F)cc(F)cc1C[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000894493219 722758830 /nfs/dbraw/zinc/75/88/30/722758830.db2.gz IQUIUCHDYNZORD-UHFFFAOYSA-N 1 2 334.370 2.593 10 10 EFCELO OC[C@@]1(F)C[N@@H+](Cc2cc(F)cc(F)c2O)C[C@@H]1c1ccccc1 ZINC000894881453 722937395 /nfs/dbraw/zinc/93/73/95/722937395.db2.gz PHPDZLXOOVMZQF-QAPCUYQASA-N 1 2 337.341 2.970 10 10 EFCELO COC(=O)C1=CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000895388907 724103737 /nfs/dbraw/zinc/10/37/37/724103737.db2.gz BYNXQVOCUXPTFE-NSHDSACASA-N 1 2 344.180 2.645 10 10 EFCELO COCc1ncc2c(n1)CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC000895417321 724125092 /nfs/dbraw/zinc/12/50/92/724125092.db2.gz XUKFXEDRPQDQEJ-UHFFFAOYSA-N 1 2 333.819 2.849 10 10 EFCELO COCc1ncc2c(n1)CC[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC000895417321 724125094 /nfs/dbraw/zinc/12/50/94/724125094.db2.gz XUKFXEDRPQDQEJ-UHFFFAOYSA-N 1 2 333.819 2.849 10 10 EFCELO COC(=O)c1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)n(C)c1C ZINC000895647263 724234698 /nfs/dbraw/zinc/23/46/98/724234698.db2.gz ULGWWEGWERRIEM-UHFFFAOYSA-N 1 2 340.782 2.908 10 10 EFCELO CC[C@H]1C[N@H+](Cc2cc(F)cc(C(C)=O)c2O)CCN1CC(F)F ZINC000153531256 726914804 /nfs/dbraw/zinc/91/48/04/726914804.db2.gz OEVQFJIZFHLWBY-AWEZNQCLSA-N 1 2 344.377 2.895 10 10 EFCELO CC[C@H]1C[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CCN1CC(F)F ZINC000153531256 726914808 /nfs/dbraw/zinc/91/48/08/726914808.db2.gz OEVQFJIZFHLWBY-AWEZNQCLSA-N 1 2 344.377 2.895 10 10 EFCELO COC(=O)[C@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000917158760 727778800 /nfs/dbraw/zinc/77/88/00/727778800.db2.gz SOPRSBZPWPQKQI-INIZCTEOSA-N 1 2 340.423 2.772 10 10 EFCELO COC(=O)[C@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000917158760 727778801 /nfs/dbraw/zinc/77/88/01/727778801.db2.gz SOPRSBZPWPQKQI-INIZCTEOSA-N 1 2 340.423 2.772 10 10 EFCELO Cn1c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nnc1C1CC1 ZINC000171934333 728559985 /nfs/dbraw/zinc/55/99/85/728559985.db2.gz HLPXDKPEONBOPI-INIZCTEOSA-N 1 2 342.443 2.579 10 10 EFCELO Cn1c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)nnc1C1CC1 ZINC000171934333 728559988 /nfs/dbraw/zinc/55/99/88/728559988.db2.gz HLPXDKPEONBOPI-INIZCTEOSA-N 1 2 342.443 2.579 10 10 EFCELO COc1ccc(N2CC[NH+](Cn3cnc(-c4ccccc4)n3)CC2)cc1 ZINC000172167151 728571703 /nfs/dbraw/zinc/57/17/03/728571703.db2.gz FQADKEQBPWJRDP-UHFFFAOYSA-N 1 2 349.438 2.733 10 10 EFCELO