smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)c(O)c1O ZINC001587534535 1092818731 /nfs/dbraw/zinc/81/87/31/1092818731.db2.gz QGHPCOMSSWIZPZ-HNNXBMFYSA-N 1 1 332.444 2.933 10 10 EFCEMO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001650630274 1093475431 /nfs/dbraw/zinc/47/54/31/1093475431.db2.gz KEOQDVIOTQAKHJ-HXUWFJFHSA-N 1 1 343.515 2.877 10 10 EFCEMO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC001650630274 1093475438 /nfs/dbraw/zinc/47/54/38/1093475438.db2.gz KEOQDVIOTQAKHJ-HXUWFJFHSA-N 1 1 343.515 2.877 10 10 EFCEMO CCc1c[nH]c2nc[nH+]c(N3CCN(c4ccc(OC)cc4)CC3)c12 ZINC001650857201 1093501948 /nfs/dbraw/zinc/50/19/48/1093501948.db2.gz TUALJVODXGBBPK-UHFFFAOYSA-N 1 1 337.427 2.856 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)NCC[C@H]2CC[N@@H+](CCCF)C2)cc1 ZINC001267604699 1094458058 /nfs/dbraw/zinc/45/80/58/1094458058.db2.gz BFSYOMAMYKXNRD-ZDUSSCGKSA-N 1 1 349.410 2.650 10 10 EFCEMO CC(C)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267605150 1094471752 /nfs/dbraw/zinc/47/17/52/1094471752.db2.gz MVDDHUFZLINJEY-AWEZNQCLSA-N 1 1 345.447 2.947 10 10 EFCEMO Cc1ccc(NCCNC(=O)c2cc3cc(O)c(O)cc3s2)[nH+]c1 ZINC001597175478 1094570065 /nfs/dbraw/zinc/57/00/65/1094570065.db2.gz OVVJXRALXMWESG-UHFFFAOYSA-N 1 1 343.408 2.858 10 10 EFCEMO COCC[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCOC1 ZINC000782959930 1094580993 /nfs/dbraw/zinc/58/09/93/1094580993.db2.gz DKATZEQRUFCFQD-HNNXBMFYSA-N 1 1 331.412 2.791 10 10 EFCEMO CC(C)CCC[N@@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001480954768 1094964183 /nfs/dbraw/zinc/96/41/83/1094964183.db2.gz LTIGOWKLGKVVPP-UHFFFAOYSA-N 1 1 333.436 2.947 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)NCC[N@H+](C/C=C/Cl)C2CC2)cc1 ZINC001481198806 1095274843 /nfs/dbraw/zinc/27/48/43/1095274843.db2.gz DLRSCVGCEFTFLO-LPDFMGRNSA-N 1 1 349.822 2.796 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)NCC[N@@H+](C/C=C/Cl)C2CC2)cc1 ZINC001481198806 1095274858 /nfs/dbraw/zinc/27/48/58/1095274858.db2.gz DLRSCVGCEFTFLO-LPDFMGRNSA-N 1 1 349.822 2.796 10 10 EFCEMO CC(C)[N@H+]1CC[C@H](CCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267572448 1095744198 /nfs/dbraw/zinc/74/41/98/1095744198.db2.gz ZUYRZMVFLWXOFK-ZDUSSCGKSA-N 1 1 331.420 2.699 10 10 EFCEMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001616634447 1099186510 /nfs/dbraw/zinc/18/65/10/1099186510.db2.gz VSAPDBSIFGGNPW-UHFFFAOYSA-N 1 1 342.439 2.797 10 10 EFCEMO CC1CCN(c2ccc(CNC(=O)CC[N@H+]3CC[C@@H](F)C3)cc2)CC1 ZINC001616695501 1099189385 /nfs/dbraw/zinc/18/93/85/1099189385.db2.gz RDKWDYVVMWMMNY-GOSISDBHSA-N 1 1 347.478 2.973 10 10 EFCEMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H]1C ZINC001620492894 1099355324 /nfs/dbraw/zinc/35/53/24/1099355324.db2.gz DJMZLNLKRKKYIN-BTDLBPIBSA-N 1 1 339.819 2.879 10 10 EFCEMO Cc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c(O)c1O ZINC001628279102 1100084149 /nfs/dbraw/zinc/08/41/49/1100084149.db2.gz YOAFMCAJZHGZCJ-HXUWFJFHSA-N 1 1 340.423 2.801 10 10 EFCEMO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001633818489 1100567084 /nfs/dbraw/zinc/56/70/84/1100567084.db2.gz JIXWFLYKDMJPDW-WMLDXEAASA-N 1 1 346.471 2.942 10 10 EFCEMO C[N@@H+](CC(=O)NCc1c(O)ccc2ccccc21)[C@@H]1CCSC1 ZINC001635965208 1100690218 /nfs/dbraw/zinc/69/02/18/1100690218.db2.gz QOPPMFDUHRXQDN-CQSZACIVSA-N 1 1 330.453 2.599 10 10 EFCEMO C[C@@H](C(=O)NCc1c(O)ccc2ccccc21)[NH+]1CCSCC1 ZINC001639384119 1100943537 /nfs/dbraw/zinc/94/35/37/1100943537.db2.gz FVRCBMMHSCIOKZ-ZDUSSCGKSA-N 1 1 330.453 2.599 10 10 EFCEMO COCc1nc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC001642548082 1101221747 /nfs/dbraw/zinc/22/17/47/1101221747.db2.gz IHAGLIFQTIZJLZ-AWEZNQCLSA-N 1 1 347.484 2.977 10 10 EFCEMO Cc1cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1N1CCCCC1 ZINC001642802184 1101243978 /nfs/dbraw/zinc/24/39/78/1101243978.db2.gz CBXFLDOAAIHLRC-OALUTQOASA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@H+]2CCN(C[C@H](C)O)C[C@@H]2C)ccc1N1CCCCC1 ZINC001642802184 1101243988 /nfs/dbraw/zinc/24/39/88/1101243988.db2.gz CBXFLDOAAIHLRC-OALUTQOASA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@@H+]2CCN(C[C@H](C)O)C[C@@H]2C)ccc1N1CCCCC1 ZINC001642802184 1101243996 /nfs/dbraw/zinc/24/39/96/1101243996.db2.gz CBXFLDOAAIHLRC-OALUTQOASA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C=O)c(C)n1-c1cc(C(=O)NC[C@@H]2CC[N@@H+]2C)ccc1C ZINC001652329197 1101479794 /nfs/dbraw/zinc/47/97/94/1101479794.db2.gz XFQRAUVEWKHDRG-SFHVURJKSA-N 1 1 339.439 2.649 10 10 EFCEMO CCCC[N@@H+](CCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001266621550 1101544022 /nfs/dbraw/zinc/54/40/22/1101544022.db2.gz FKPFOXLMQZDNNM-UHFFFAOYSA-N 1 1 331.420 2.843 10 10 EFCEMO C[C@]1([C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)COC(=O)N1 ZINC000905701826 1103511112 /nfs/dbraw/zinc/51/11/12/1103511112.db2.gz RYPCVVDBUHAKTE-YLJYHZDGSA-N 1 1 344.455 2.982 10 10 EFCEMO C[C@]1([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)COC(=O)N1 ZINC000905701823 1103511748 /nfs/dbraw/zinc/51/17/48/1103511748.db2.gz RYPCVVDBUHAKTE-FXAWDEMLSA-N 1 1 344.455 2.982 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CCC[C@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732953 1103567678 /nfs/dbraw/zinc/56/76/78/1103567678.db2.gz CUXGOMPBVXWTHL-MLGOLLRUSA-N 1 1 346.452 2.729 10 10 EFCEMO CC[C@@](O)(C[N@H+]1CCCN(c2ccc(OC)cc2)CC1)C(F)(F)F ZINC000905914800 1103728201 /nfs/dbraw/zinc/72/82/01/1103728201.db2.gz KMEPXAPJNSYEJJ-MRXNPFEDSA-N 1 1 346.393 2.911 10 10 EFCEMO C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)CC[N@H+]1C ZINC001625969574 1104311673 /nfs/dbraw/zinc/31/16/73/1104311673.db2.gz FXWPULVBOFTLOG-RDJZCZTQSA-N 1 1 347.528 2.586 10 10 EFCEMO CC[C@H](C)[NH+]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897919019 1106150012 /nfs/dbraw/zinc/15/00/12/1106150012.db2.gz CUHJVOWGLVZYMH-NSHDSACASA-N 1 1 334.441 2.869 10 10 EFCEMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897939944 1106161101 /nfs/dbraw/zinc/16/11/01/1106161101.db2.gz VUHCCOOSVFQBNM-GFCCVEGCSA-N 1 1 334.441 2.867 10 10 EFCEMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897943392 1106161872 /nfs/dbraw/zinc/16/18/72/1106161872.db2.gz QLZIXTFSOUNFDB-UHFFFAOYSA-N 1 1 334.441 2.917 10 10 EFCEMO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000925320947 1106383045 /nfs/dbraw/zinc/38/30/45/1106383045.db2.gz NJTMKDSYFBVJBE-MAUKXSAKSA-N 1 1 332.492 2.767 10 10 EFCEMO C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301403 1107116593 /nfs/dbraw/zinc/11/65/93/1107116593.db2.gz QNPHXWJKJYJJPG-SUNYJGFJSA-N 1 1 337.895 2.920 10 10 EFCEMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301403 1107116602 /nfs/dbraw/zinc/11/66/02/1107116602.db2.gz QNPHXWJKJYJJPG-SUNYJGFJSA-N 1 1 337.895 2.920 10 10 EFCEMO C[C@@H]1[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@@H+]1C ZINC000925333193 1107680246 /nfs/dbraw/zinc/68/02/46/1107680246.db2.gz BCJOQBGFLWUSPY-PELKAZGASA-N 1 1 332.231 2.591 10 10 EFCEMO C[C@@H]1[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC[N@H+]1C ZINC000925333193 1107680252 /nfs/dbraw/zinc/68/02/52/1107680252.db2.gz BCJOQBGFLWUSPY-PELKAZGASA-N 1 1 332.231 2.591 10 10 EFCEMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898582906 1109022068 /nfs/dbraw/zinc/02/20/68/1109022068.db2.gz RLMBWOLODJNPFQ-LLVKDONJSA-N 1 1 334.441 2.915 10 10 EFCEMO O=C(c1cccs1)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000025666398 202134817 /nfs/dbraw/zinc/13/48/17/202134817.db2.gz DZSSNBKPMXSOKY-UHFFFAOYSA-N 1 1 342.464 2.900 10 10 EFCEMO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cc(Cl)c(Cl)cc1O ZINC000192983348 240078435 /nfs/dbraw/zinc/07/84/35/240078435.db2.gz OHFXEYVAWJWFAW-IUCAKERBSA-N 1 1 327.215 2.956 10 10 EFCEMO CCc1nnc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)[nH]1 ZINC000295925471 241066151 /nfs/dbraw/zinc/06/61/51/241066151.db2.gz FHONVPYUFPQVTP-UHFFFAOYSA-N 1 1 338.411 2.942 10 10 EFCEMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000362334231 242250032 /nfs/dbraw/zinc/25/00/32/242250032.db2.gz GLCYODBOEKYWLE-FQEVSTJZSA-N 1 1 340.471 2.902 10 10 EFCEMO Cc1cc(C(=O)C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000367784279 242394006 /nfs/dbraw/zinc/39/40/06/242394006.db2.gz UZSDCKRYMKBXEK-BWTSREIZSA-N 1 1 342.414 2.586 10 10 EFCEMO Cc1cc(C(=O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000367784279 242394011 /nfs/dbraw/zinc/39/40/11/242394011.db2.gz UZSDCKRYMKBXEK-BWTSREIZSA-N 1 1 342.414 2.586 10 10 EFCEMO CCCn1cc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC000095445243 473205850 /nfs/dbraw/zinc/20/58/50/473205850.db2.gz QLVLYAQTANEISK-UHFFFAOYSA-N 1 1 331.439 2.796 10 10 EFCEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000190489873 473294682 /nfs/dbraw/zinc/29/46/82/473294682.db2.gz FOZDZRDERVFGPG-INIZCTEOSA-N 1 1 329.419 2.880 10 10 EFCEMO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)cc1O ZINC000185281493 473384535 /nfs/dbraw/zinc/38/45/35/473384535.db2.gz GMBFDGXFZOTFLN-LBPRGKRZSA-N 1 1 349.381 2.753 10 10 EFCEMO CCn1cc(CN2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)cn1 ZINC000121643526 472884748 /nfs/dbraw/zinc/88/47/48/472884748.db2.gz YZBGJKDJQQQARX-UHFFFAOYSA-N 1 1 328.460 2.625 10 10 EFCEMO CN(C)c1ccc(C[N@@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1F ZINC000121692239 472893294 /nfs/dbraw/zinc/89/32/94/472893294.db2.gz HBDGSLIYALDEDT-LJQANCHMSA-N 1 1 341.430 2.955 10 10 EFCEMO CN(C)c1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1F ZINC000121692239 472893300 /nfs/dbraw/zinc/89/33/00/472893300.db2.gz HBDGSLIYALDEDT-LJQANCHMSA-N 1 1 341.430 2.955 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013413 472963329 /nfs/dbraw/zinc/96/33/29/472963329.db2.gz ORAWVPNVRZCLCC-INIZCTEOSA-N 1 1 344.459 2.911 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c1 ZINC000122013654 472963883 /nfs/dbraw/zinc/96/38/83/472963883.db2.gz ORAWVPNVRZCLCC-MRXNPFEDSA-N 1 1 344.459 2.911 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2CCCN(c3ccc(C)nn3)CC2)c1 ZINC000093272202 473071240 /nfs/dbraw/zinc/07/12/40/473071240.db2.gz LZQCRQXSJQPSAG-UHFFFAOYSA-N 1 1 342.443 2.602 10 10 EFCEMO c1cc(N2CCOCC2)ccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683566 473135084 /nfs/dbraw/zinc/13/50/84/473135084.db2.gz UAJMGCJBDPFUHW-FQEVSTJZSA-N 1 1 343.515 2.831 10 10 EFCEMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000179559187 473694562 /nfs/dbraw/zinc/69/45/62/473694562.db2.gz VKAFNBFLMRDKHS-MRXNPFEDSA-N 1 1 325.412 2.946 10 10 EFCEMO Cc1cc(CN2CC[NH+](Cc3cc(Cl)cc(C)c3O)CC2)on1 ZINC000179633240 473701069 /nfs/dbraw/zinc/70/10/69/473701069.db2.gz YPSPSNXRJGMFCZ-UHFFFAOYSA-N 1 1 335.835 2.968 10 10 EFCEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1O ZINC000180032087 473782045 /nfs/dbraw/zinc/78/20/45/473782045.db2.gz RJOKTWUWQDSPOP-HNNXBMFYSA-N 1 1 338.879 2.898 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)c1 ZINC000180239738 473835518 /nfs/dbraw/zinc/83/55/18/473835518.db2.gz ZXKWKLZFVYUDHC-UHFFFAOYSA-N 1 1 346.452 2.810 10 10 EFCEMO COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000180238550 473835644 /nfs/dbraw/zinc/83/56/44/473835644.db2.gz 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C[N@H+]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@H]1c1ccc(Cl)cc1 ZINC000253370082 474728059 /nfs/dbraw/zinc/72/80/59/474728059.db2.gz LSYOXLAYZMJQKP-RHSMWYFYSA-N 1 1 346.814 2.926 10 10 EFCEMO OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293744006 475049821 /nfs/dbraw/zinc/04/98/21/475049821.db2.gz XKVVRKIOSNTTMU-CZUORRHYSA-N 1 1 339.794 2.759 10 10 EFCEMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)c(F)cc1O ZINC000294766305 475081667 /nfs/dbraw/zinc/08/16/67/475081667.db2.gz SNESSTIXZOLLKC-LBPRGKRZSA-N 1 1 342.842 2.870 10 10 EFCEMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cc(Cl)c(F)cc1O ZINC000294766305 475081671 /nfs/dbraw/zinc/08/16/71/475081671.db2.gz SNESSTIXZOLLKC-LBPRGKRZSA-N 1 1 342.842 2.870 10 10 EFCEMO COC1CCN(c2ccc(C[N@H+](C)Cc3cnccn3)cc2)CC1 ZINC000294913367 475092137 /nfs/dbraw/zinc/09/21/37/475092137.db2.gz HZSYWKNIISOCMO-UHFFFAOYSA-N 1 1 326.444 2.724 10 10 EFCEMO COC1CCN(c2ccc(C[N@@H+](C)Cc3cnccn3)cc2)CC1 ZINC000294913367 475092149 /nfs/dbraw/zinc/09/21/49/475092149.db2.gz 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Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000121908565 472942831 /nfs/dbraw/zinc/94/28/31/472942831.db2.gz NMQQKBDWTQMLAI-GOSISDBHSA-N 1 1 327.476 2.873 10 10 EFCEMO Cc1ccc(N2CCC[N@@H+](Cc3cc(C)c(C)cc3O)CC2)nn1 ZINC000093271756 473069816 /nfs/dbraw/zinc/06/98/16/473069816.db2.gz LUAJEMHPZSDKIW-UHFFFAOYSA-N 1 1 326.444 2.820 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000190788246 473392819 /nfs/dbraw/zinc/39/28/19/473392819.db2.gz ZRTFORUVPKVKEX-LLVKDONJSA-N 1 1 336.798 2.733 10 10 EFCEMO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1ccc(F)cc1O ZINC000185407686 473418382 /nfs/dbraw/zinc/41/83/82/473418382.db2.gz MNJRRBWEMVQRAB-DYVFJYSZSA-N 1 1 330.403 2.881 10 10 EFCEMO COc1cc(O)c(C[N@H+]2CCCN(c3ccccn3)CC2)cc1OC ZINC000185694065 473491090 /nfs/dbraw/zinc/49/10/90/473491090.db2.gz AJMSWLHRERCERB-UHFFFAOYSA-N 1 1 343.427 2.517 10 10 EFCEMO Oc1cc2c(cc1C[NH2+]Cc1ncc(-c3ccccc3)cn1)OCO2 ZINC000185865409 473533018 /nfs/dbraw/zinc/53/30/18/473533018.db2.gz 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473796987 /nfs/dbraw/zinc/79/69/87/473796987.db2.gz VCQUXHRBZKFISA-UHFFFAOYSA-N 1 1 327.359 2.995 10 10 EFCEMO Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000182477266 474185349 /nfs/dbraw/zinc/18/53/49/474185349.db2.gz APQXZTTYXCCMQL-HNNXBMFYSA-N 1 1 340.423 2.753 10 10 EFCEMO Cc1ccc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1O ZINC000182477266 474185355 /nfs/dbraw/zinc/18/53/55/474185355.db2.gz APQXZTTYXCCMQL-HNNXBMFYSA-N 1 1 340.423 2.753 10 10 EFCEMO CN(C)c1ccc(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000266630298 474437563 /nfs/dbraw/zinc/43/75/63/474437563.db2.gz WSDHVLPOTYJKJX-JLYLLQBASA-N 1 1 344.503 2.909 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000289998089 474519786 /nfs/dbraw/zinc/51/97/86/474519786.db2.gz CTNVDTYGZCRZBM-NHYWBVRUSA-N 1 1 332.356 2.521 10 10 EFCEMO COc1c(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000278149402 474601935 /nfs/dbraw/zinc/60/19/35/474601935.db2.gz 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/nfs/dbraw/zinc/02/85/21/475028521.db2.gz DTECEIVONUFTDD-UHFFFAOYSA-N 1 1 329.375 2.757 10 10 EFCEMO CC(=O)c1cc(F)cc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1O ZINC000285493611 475028530 /nfs/dbraw/zinc/02/85/30/475028530.db2.gz DTECEIVONUFTDD-UHFFFAOYSA-N 1 1 329.375 2.757 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[NH2+]CCn1cc(Br)cn1 ZINC000294660900 475077874 /nfs/dbraw/zinc/07/78/74/475077874.db2.gz LMSNAGLKUFZVBM-UHFFFAOYSA-N 1 1 348.603 2.934 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1 ZINC000377684823 476518970 /nfs/dbraw/zinc/51/89/70/476518970.db2.gz YGOWAENZLSLMFK-INIZCTEOSA-N 1 1 332.400 2.797 10 10 EFCEMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000374997164 476626784 /nfs/dbraw/zinc/62/67/84/476626784.db2.gz SEVSITHVZJDOKT-LQDVMPOASA-N 1 1 341.411 2.765 10 10 EFCEMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000376670742 477453678 /nfs/dbraw/zinc/45/36/78/477453678.db2.gz IMXDCWYCVRUOLH-FQEVSTJZSA-N 1 1 340.471 2.984 10 10 EFCEMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376673132 477454843 /nfs/dbraw/zinc/45/48/43/477454843.db2.gz PTKQJCWAWXDHBX-YOEHRIQHSA-N 1 1 341.835 2.824 10 10 EFCEMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2O)C[C@]2(CCOC2)O1 ZINC000376673132 477454848 /nfs/dbraw/zinc/45/48/48/477454848.db2.gz PTKQJCWAWXDHBX-YOEHRIQHSA-N 1 1 341.835 2.824 10 10 EFCEMO Nc1nccc([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000368041893 477780281 /nfs/dbraw/zinc/78/02/81/477780281.db2.gz MEORVNQFPLVSCC-SNVBAGLBSA-N 1 1 336.798 2.767 10 10 EFCEMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000368041893 477780285 /nfs/dbraw/zinc/78/02/85/477780285.db2.gz MEORVNQFPLVSCC-SNVBAGLBSA-N 1 1 336.798 2.767 10 10 EFCEMO Nc1nccc([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000368041892 477780516 /nfs/dbraw/zinc/78/05/16/477780516.db2.gz MEORVNQFPLVSCC-JTQLQIEISA-N 1 1 336.798 2.767 10 10 EFCEMO Nc1nccc([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)n1 ZINC000368041892 477780518 /nfs/dbraw/zinc/78/05/18/477780518.db2.gz MEORVNQFPLVSCC-JTQLQIEISA-N 1 1 336.798 2.767 10 10 EFCEMO COc1cc(O)c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1OC ZINC000368059373 477783050 /nfs/dbraw/zinc/78/30/50/477783050.db2.gz KEBOUOLLEYNNLH-OAHLLOKOSA-N 1 1 328.412 2.869 10 10 EFCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cn[nH]c2)C1 ZINC000518473434 478170631 /nfs/dbraw/zinc/17/06/31/478170631.db2.gz RETQMXPYZITQTN-UHFFFAOYSA-N 1 1 337.427 2.770 10 10 EFCEMO CCn1ncc(C[NH2+][C@H](C)c2ccc(Br)cc2O)n1 ZINC000527922597 478573561 /nfs/dbraw/zinc/57/35/61/478573561.db2.gz HMEYLKDHMYPXSA-SECBINFHSA-N 1 1 325.210 2.617 10 10 EFCEMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528286122 478706493 /nfs/dbraw/zinc/70/64/93/478706493.db2.gz FPUBTWNLOOHMIE-DZGCQCFKSA-N 1 1 347.459 2.778 10 10 EFCEMO CSCCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000618075933 480507026 /nfs/dbraw/zinc/50/70/26/480507026.db2.gz VUWYPLISVOYTAC-UHFFFAOYSA-N 1 1 345.512 2.887 10 10 EFCEMO CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000648803544 481754666 /nfs/dbraw/zinc/75/46/66/481754666.db2.gz ZUDJRGTWPXEGLQ-CQSZACIVSA-N 1 1 342.443 2.888 10 10 EFCEMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1O ZINC000177154940 527207028 /nfs/dbraw/zinc/20/70/28/527207028.db2.gz JIODUNIKXJMNKC-CYBMUJFWSA-N 1 1 348.834 2.752 10 10 EFCEMO CC[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1)c1ccc(F)cc1O ZINC000367616381 535808239 /nfs/dbraw/zinc/80/82/39/535808239.db2.gz OBJCRSOPAXURDW-RHSMWYFYSA-N 1 1 332.423 2.975 10 10 EFCEMO COc1cc(C)cc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)c1O ZINC000754726999 575478269 /nfs/dbraw/zinc/47/82/69/575478269.db2.gz ZTLXYOGHGDNHNU-INIZCTEOSA-N 1 1 332.444 2.686 10 10 EFCEMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(O)ccc4ccncc43)[C@@H]2C1 ZINC000754796741 575492313 /nfs/dbraw/zinc/49/23/13/575492313.db2.gz NTIDTXIXDRCFAG-BJZITVGISA-N 1 1 328.412 2.709 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)c1 ZINC000756350785 575721675 /nfs/dbraw/zinc/72/16/75/575721675.db2.gz FVSAHNZCPRKRQT-GXTWGEPZSA-N 1 1 343.379 2.669 10 10 EFCEMO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cc(Br)c(F)cc1O ZINC000756486801 575747332 /nfs/dbraw/zinc/74/73/32/575747332.db2.gz HRJVKBUTCBCANK-DTWKUNHWSA-N 1 1 343.200 2.625 10 10 EFCEMO COc1cccc(N2C[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3O)CC2=O)c1 ZINC000756515368 575752788 /nfs/dbraw/zinc/75/27/88/575752788.db2.gz MABMIPFFIKYKGR-JSGCOSHPSA-N 1 1 344.386 2.996 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)c2sccc2C)c1 ZINC000756736605 575782363 /nfs/dbraw/zinc/78/23/63/575782363.db2.gz ORVBDIUPNCGANH-FZMZJTMJSA-N 1 1 335.425 2.933 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)CS(C)(=O)=O ZINC000758142169 575861142 /nfs/dbraw/zinc/86/11/42/575861142.db2.gz JQZWHHXMQIOUCU-HNNXBMFYSA-N 1 1 326.506 2.644 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C3CCCCC3)C1)[C@H](O)CO2 ZINC000758293439 575865797 /nfs/dbraw/zinc/86/57/97/575865797.db2.gz ZNPXYNNXGDGVRI-IEBWSBKVSA-N 1 1 333.428 2.599 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000758293436 575865805 /nfs/dbraw/zinc/86/58/05/575865805.db2.gz ZNPXYNNXGDGVRI-HKUYNNGSSA-N 1 1 333.428 2.599 10 10 EFCEMO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000758990647 575882175 /nfs/dbraw/zinc/88/21/75/575882175.db2.gz JOFUFVCYLOGBEL-HXUWFJFHSA-N 1 1 336.435 2.862 10 10 EFCEMO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000758990647 575882176 /nfs/dbraw/zinc/88/21/76/575882176.db2.gz JOFUFVCYLOGBEL-HXUWFJFHSA-N 1 1 336.435 2.862 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1O ZINC000765098055 577006647 /nfs/dbraw/zinc/00/66/47/577006647.db2.gz CQJJDYZODKGNPS-OLZOCXBDSA-N 1 1 329.396 2.941 10 10 EFCEMO CCC[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCN1CCOC ZINC000766382435 577142986 /nfs/dbraw/zinc/14/29/86/577142986.db2.gz VRCJAWKLQAAEQH-IBGZPJMESA-N 1 1 332.488 2.814 10 10 EFCEMO CCC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CC[N@@H+]1CCOC ZINC000766382435 577142989 /nfs/dbraw/zinc/14/29/89/577142989.db2.gz VRCJAWKLQAAEQH-IBGZPJMESA-N 1 1 332.488 2.814 10 10 EFCEMO CCC[C@H]1CN(Cc2cc3c(cc2O)CCC3)CC[N@H+]1CCOC ZINC000766382435 577142992 /nfs/dbraw/zinc/14/29/92/577142992.db2.gz VRCJAWKLQAAEQH-IBGZPJMESA-N 1 1 332.488 2.814 10 10 EFCEMO COc1cc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(O)cc1C ZINC000768442631 577273818 /nfs/dbraw/zinc/27/38/18/577273818.db2.gz XDVIGXKYGCUANY-UHFFFAOYSA-N 1 1 334.460 2.790 10 10 EFCEMO COc1cc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c(O)cc1C ZINC000768448731 577274810 /nfs/dbraw/zinc/27/48/10/577274810.db2.gz WHTNGYSEWPEJMY-HNNXBMFYSA-N 1 1 332.444 2.544 10 10 EFCEMO COc1ccccc1CC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768452124 577275004 /nfs/dbraw/zinc/27/50/04/577275004.db2.gz OWZOOBMCNQTHHP-KRWDZBQOSA-N 1 1 329.396 2.501 10 10 EFCEMO CCOc1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c(O)c1 ZINC000768901888 577315461 /nfs/dbraw/zinc/31/54/61/577315461.db2.gz BERARNOSPIWRKZ-SFHVURJKSA-N 1 1 340.423 2.854 10 10 EFCEMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c(O)c1 ZINC000769403522 577359903 /nfs/dbraw/zinc/35/99/03/577359903.db2.gz DCEATCBQLKZNNK-MRXNPFEDSA-N 1 1 332.444 2.625 10 10 EFCEMO CCCN(CCC)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000769482646 577365979 /nfs/dbraw/zinc/36/59/79/577365979.db2.gz FHMUCVQKFXACDH-SFHVURJKSA-N 1 1 331.460 2.949 10 10 EFCEMO CCCN(CCC)c1ccc(C[N@H+]2CCN3C(=O)OC[C@@H]3C2)cc1 ZINC000769482646 577365980 /nfs/dbraw/zinc/36/59/80/577365980.db2.gz FHMUCVQKFXACDH-SFHVURJKSA-N 1 1 331.460 2.949 10 10 EFCEMO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000769563488 577372862 /nfs/dbraw/zinc/37/28/62/577372862.db2.gz KJAAIJQSMBDTHO-OYRHEFFESA-N 1 1 340.467 2.641 10 10 EFCEMO CCOC(=O)C1(C[NH2+]Cc2cc(C)cc(Br)c2O)CC1 ZINC000770665107 581123065 /nfs/dbraw/zinc/12/30/65/581123065.db2.gz CUPVGGVZJQJTHK-UHFFFAOYSA-N 1 1 342.233 2.896 10 10 EFCEMO Cc1nc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cs1 ZINC000774595812 581494953 /nfs/dbraw/zinc/49/49/53/581494953.db2.gz RRDRZYADBVECSV-ZBFHGGJFSA-N 1 1 332.425 2.920 10 10 EFCEMO Cc1nc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)cs1 ZINC000774595812 581494954 /nfs/dbraw/zinc/49/49/54/581494954.db2.gz RRDRZYADBVECSV-ZBFHGGJFSA-N 1 1 332.425 2.920 10 10 EFCEMO COc1c([O-])c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910465 581503890 /nfs/dbraw/zinc/50/38/90/581503890.db2.gz AWSDVULWQSJXFH-TZMCWYRMSA-N 1 1 336.388 2.558 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910465 581503891 /nfs/dbraw/zinc/50/38/91/581503891.db2.gz AWSDVULWQSJXFH-TZMCWYRMSA-N 1 1 336.388 2.558 10 10 EFCEMO COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910465 581503892 /nfs/dbraw/zinc/50/38/92/581503892.db2.gz AWSDVULWQSJXFH-TZMCWYRMSA-N 1 1 336.388 2.558 10 10 EFCEMO COc1c([O-])c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910464 581503912 /nfs/dbraw/zinc/50/39/12/581503912.db2.gz AWSDVULWQSJXFH-OCCSQVGLSA-N 1 1 336.388 2.558 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910464 581503913 /nfs/dbraw/zinc/50/39/13/581503913.db2.gz AWSDVULWQSJXFH-OCCSQVGLSA-N 1 1 336.388 2.558 10 10 EFCEMO COc1c(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910464 581503914 /nfs/dbraw/zinc/50/39/14/581503914.db2.gz AWSDVULWQSJXFH-OCCSQVGLSA-N 1 1 336.388 2.558 10 10 EFCEMO CC[C@@H]([NH2+]CCS(=O)(=O)CC(F)(F)F)c1ccc(F)cc1O ZINC000850518420 1250522366 /nfs/dbraw/zinc/52/23/66/1250522366.db2.gz RPGRLQFUEGQZMB-LLVKDONJSA-N 1 1 343.342 2.549 10 10 EFCEMO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccc(N2CCOCC2)cc1 ZINC000850076808 1250265465 /nfs/dbraw/zinc/26/54/65/1250265465.db2.gz DCBXJTBJUYDKBR-HNNXBMFYSA-N 1 1 341.459 2.691 10 10 EFCEMO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(CC)CC3)c(F)c2)CO1 ZINC000850125351 1250293896 /nfs/dbraw/zinc/29/38/96/1250293896.db2.gz FJQGCQXWZOTSJN-SJORKVTESA-N 1 1 335.467 2.625 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](O)c4ccccc43)cc2)CC1 ZINC000850369451 1250452263 /nfs/dbraw/zinc/45/22/63/1250452263.db2.gz AKJTXZVMMAOWMD-NHCUHLMSSA-N 1 1 337.467 2.706 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](O)c4ccccc43)cc2)CC1 ZINC000850369448 1250452542 /nfs/dbraw/zinc/45/25/42/1250452542.db2.gz AKJTXZVMMAOWMD-LEWJYISDSA-N 1 1 337.467 2.706 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000850388259 1250460086 /nfs/dbraw/zinc/46/00/86/1250460086.db2.gz KGVQTKKNLTZYKY-STQMWFEESA-N 1 1 326.234 2.856 10 10 EFCEMO C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc(Cl)cc1[O-] ZINC000850502160 1250513682 /nfs/dbraw/zinc/51/36/82/1250513682.db2.gz SBIVCMQLZORQGO-UONOGXRCSA-N 1 1 327.900 2.968 10 10 EFCEMO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000850573073 1250541879 /nfs/dbraw/zinc/54/18/79/1250541879.db2.gz UAQSJDWHKNGMLF-KGLIPLIRSA-N 1 1 332.423 2.808 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850585170 1250548953 /nfs/dbraw/zinc/54/89/53/1250548953.db2.gz WMMKEXUKMXXZSY-VEVIJQCQSA-N 1 1 329.396 2.952 10 10 EFCEMO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(Br)n1 ZINC000922466792 1266094932 /nfs/dbraw/zinc/09/49/32/1266094932.db2.gz REGRHPIKVXPPST-UHFFFAOYSA-N 1 1 336.233 2.797 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000922523121 1266196367 /nfs/dbraw/zinc/19/63/67/1266196367.db2.gz IENGQLLHJUSGHU-OLZOCXBDSA-N 1 1 330.856 2.854 10 10 EFCEMO CC(C)[NH+]1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000715738010 1263882204 /nfs/dbraw/zinc/88/22/04/1263882204.db2.gz PLMYNUSZKIFMIZ-UHFFFAOYSA-N 1 1 331.229 2.820 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824654311 1278218767 /nfs/dbraw/zinc/21/87/67/1278218767.db2.gz MUCHBPVBXPTYHO-PSOPSSQASA-N 1 1 329.799 2.547 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824654313 1278220044 /nfs/dbraw/zinc/22/00/44/1278220044.db2.gz MUCHBPVBXPTYHO-YVLXSGLVSA-N 1 1 329.799 2.547 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824654312 1278220195 /nfs/dbraw/zinc/22/01/95/1278220195.db2.gz MUCHBPVBXPTYHO-WDBKCZKBSA-N 1 1 329.799 2.547 10 10 EFCEMO Oc1c(F)cc(Br)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000715755136 1264532300 /nfs/dbraw/zinc/53/23/00/1264532300.db2.gz WSMSVMQSFXCRJA-ZDUSSCGKSA-N 1 1 343.240 2.964 10 10 EFCEMO Oc1c(F)cc(Br)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000715755136 1264532307 /nfs/dbraw/zinc/53/23/07/1264532307.db2.gz WSMSVMQSFXCRJA-ZDUSSCGKSA-N 1 1 343.240 2.964 10 10 EFCEMO [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715769024 1264914673 /nfs/dbraw/zinc/91/46/73/1264914673.db2.gz IBRYPHTYXZGVBP-JTQLQIEISA-N 1 1 331.229 2.855 10 10 EFCEMO [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715769024 1264914677 /nfs/dbraw/zinc/91/46/77/1264914677.db2.gz IBRYPHTYXZGVBP-JTQLQIEISA-N 1 1 331.229 2.855 10 10 EFCEMO C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1C[NH3+] ZINC000715769566 1264917701 /nfs/dbraw/zinc/91/77/01/1264917701.db2.gz LZZIRNMDTVCAMQ-KOLCDFICSA-N 1 1 331.229 2.711 10 10 EFCEMO Cc1cc(Br)cc(C[N@H+]2CC[C@](O)(C(F)F)C2)c1O ZINC000824726401 1278263965 /nfs/dbraw/zinc/26/39/65/1278263965.db2.gz LPGJQSAHYTXHNJ-CYBMUJFWSA-N 1 1 336.176 2.665 10 10 EFCEMO CN(C)c1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c(C(F)(F)F)c1 ZINC000824726407 1278264233 /nfs/dbraw/zinc/26/42/33/1278264233.db2.gz LUJZNDZDXUJCJU-AWEZNQCLSA-N 1 1 338.320 2.973 10 10 EFCEMO CN(C)c1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c(C(F)(F)F)c1 ZINC000824726407 1278264239 /nfs/dbraw/zinc/26/42/39/1278264239.db2.gz LUJZNDZDXUJCJU-AWEZNQCLSA-N 1 1 338.320 2.973 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCCO[C@H](C)C2)c1O ZINC000738161915 1268381797 /nfs/dbraw/zinc/38/17/97/1268381797.db2.gz NVFZOVZMQAMBMQ-CYBMUJFWSA-N 1 1 329.396 2.943 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124739 1278418989 /nfs/dbraw/zinc/41/89/89/1278418989.db2.gz XCOKPFCJYLCUAX-JMCQJSRRSA-N 1 1 327.705 2.930 10 10 EFCEMO Cc1cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740864234 1269140892 /nfs/dbraw/zinc/14/08/92/1269140892.db2.gz ALMVYOWKIYJFJS-CQSZACIVSA-N 1 1 339.501 2.865 10 10 EFCEMO COc1cccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1O ZINC000825294370 1278495159 /nfs/dbraw/zinc/49/51/59/1278495159.db2.gz PCPCCTSDVIOXAF-UHFFFAOYSA-N 1 1 332.366 2.859 10 10 EFCEMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000843851839 1278609437 /nfs/dbraw/zinc/60/94/37/1278609437.db2.gz QYILRJRSJUKDSI-CHWSQXEVSA-N 1 1 331.416 2.555 10 10 EFCEMO COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3(C)CCCC3)CC2)cc1 ZINC000786217081 1275340123 /nfs/dbraw/zinc/34/01/23/1275340123.db2.gz HCVZHYATDHVCDB-UHFFFAOYSA-N 1 1 345.487 2.608 10 10 EFCEMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000787769202 1275902073 /nfs/dbraw/zinc/90/20/73/1275902073.db2.gz BOOWMLONDHBCHY-LSDHHAIUSA-N 1 1 326.387 2.629 10 10 EFCEMO C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cccc(C(F)(F)F)c1O ZINC000788768055 1276296673 /nfs/dbraw/zinc/29/66/73/1276296673.db2.gz YWELWCGJNVKMFR-QMMMGPOBSA-N 1 1 328.290 2.954 10 10 EFCEMO CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1[O-] ZINC000817984494 1276424175 /nfs/dbraw/zinc/42/41/75/1276424175.db2.gz YWUNTSLVBDJJPR-HTWSVDAQSA-N 1 1 335.467 2.788 10 10 EFCEMO COc1ccc(N2CC[C@H](C[NH2+][C@H]3CCCc4[nH]ncc43)C2)cc1 ZINC000818342181 1276510280 /nfs/dbraw/zinc/51/02/80/1276510280.db2.gz MYHZTDQNWROPPN-KDOFPFPSSA-N 1 1 326.444 2.912 10 10 EFCEMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1N(C)C ZINC000815047008 1287266540 /nfs/dbraw/zinc/26/65/40/1287266540.db2.gz JVLFMVAQYOHBBS-GOSISDBHSA-N 1 1 329.488 2.895 10 10 EFCEMO COc1cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)cc1C ZINC000790462580 1277547490 /nfs/dbraw/zinc/54/74/90/1277547490.db2.gz WMOIZCUZYCKSJC-GOSISDBHSA-N 1 1 343.423 2.989 10 10 EFCEMO COc1cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c(O)cc1C ZINC000790462580 1277547497 /nfs/dbraw/zinc/54/74/97/1277547497.db2.gz WMOIZCUZYCKSJC-GOSISDBHSA-N 1 1 343.423 2.989 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C3CCCCC3)cc2)CC1 ZINC000790997386 1277897950 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2.866 10 10 EFCEMO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@@H]1n1cccn1 ZINC000815166305 1287361793 /nfs/dbraw/zinc/36/17/93/1287361793.db2.gz AHUPWXMXGQWKIX-BJJXKVORSA-N 1 1 339.798 2.890 10 10 EFCEMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846005261 1279971884 /nfs/dbraw/zinc/97/18/84/1279971884.db2.gz AVCYUNPXBUJBAQ-DGCLKSJQSA-N 1 1 335.400 2.816 10 10 EFCEMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000846005261 1279971889 /nfs/dbraw/zinc/97/18/89/1279971889.db2.gz AVCYUNPXBUJBAQ-DGCLKSJQSA-N 1 1 335.400 2.816 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCOCC3)cc2)CC1 ZINC000846042699 1279997469 /nfs/dbraw/zinc/99/74/69/1279997469.db2.gz NVYURDFHHQNZGX-NRFANRHFSA-N 1 1 343.515 2.733 10 10 EFCEMO C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2(CCC2)CO1 ZINC000846067852 1280018933 /nfs/dbraw/zinc/01/89/33/1280018933.db2.gz ZAEKFWUPKAGESE-HNNXBMFYSA-N 1 1 334.435 2.806 10 10 EFCEMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C2(CCC2)CO1 ZINC000846067852 1280018936 /nfs/dbraw/zinc/01/89/36/1280018936.db2.gz ZAEKFWUPKAGESE-HNNXBMFYSA-N 1 1 334.435 2.806 10 10 EFCEMO COC(=O)[C@](C)(O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000808742311 1281892140 /nfs/dbraw/zinc/89/21/40/1281892140.db2.gz OQZABXWCILWWIN-MGPUTAFESA-N 1 1 343.423 2.879 10 10 EFCEMO CN(C)c1ccc(CN(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000809965738 1282654108 /nfs/dbraw/zinc/65/41/08/1282654108.db2.gz LUKFWICJTMKJAC-LJQANCHMSA-N 1 1 335.467 2.924 10 10 EFCEMO COCC[C@H](COC)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000810174734 1283002540 /nfs/dbraw/zinc/00/25/40/1283002540.db2.gz YLBZRPFYUGOFRH-GFCCVEGCSA-N 1 1 332.238 2.604 10 10 EFCEMO Oc1ccc2c(c1CNc1cc[nH+]c(N3CCOCC3)n1)CCCC2 ZINC000811808345 1284639669 /nfs/dbraw/zinc/63/96/69/1284639669.db2.gz FKIZHHJPUQMMAV-UHFFFAOYSA-N 1 1 340.427 2.510 10 10 EFCEMO Cc1cc(Br)c(O)c(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000814173039 1286354057 /nfs/dbraw/zinc/35/40/57/1286354057.db2.gz FJXDAVRHAHVHQU-FZMZJTMJSA-N 1 1 325.250 2.599 10 10 EFCEMO CN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)cc2)CC1 ZINC000814169685 1286373706 /nfs/dbraw/zinc/37/37/06/1286373706.db2.gz LUKRZYVTTPUKOE-MSOLQXFVSA-N 1 1 335.442 2.916 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CC[C@@]4(C)[C@@H](C3)C4(F)F)cc2)CC1 ZINC000814169685 1286373713 /nfs/dbraw/zinc/37/37/13/1286373713.db2.gz LUKRZYVTTPUKOE-MSOLQXFVSA-N 1 1 335.442 2.916 10 10 EFCEMO OC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC001176927560 1288176393 /nfs/dbraw/zinc/17/63/93/1288176393.db2.gz SVFJSRBIHQWWQV-LJQANCHMSA-N 1 1 348.393 2.625 10 10 EFCEMO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ncc(Br)cn1 ZINC000816627389 1288216171 /nfs/dbraw/zinc/21/61/71/1288216171.db2.gz MTSHZMVXFWFWPF-QMMMGPOBSA-N 1 1 326.169 2.935 10 10 EFCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000816955334 1288340079 /nfs/dbraw/zinc/34/00/79/1288340079.db2.gz ZKXRJGRCFZQXLK-HOCLYGCPSA-N 1 1 329.469 2.932 10 10 EFCEMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414329 1288591432 /nfs/dbraw/zinc/59/14/32/1288591432.db2.gz FMYKPIIOGUYZHH-INIZCTEOSA-N 1 1 343.496 2.952 10 10 EFCEMO Cc1cc(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000823665351 1289406290 /nfs/dbraw/zinc/40/62/90/1289406290.db2.gz YZAILQRPRORJOK-SFHVURJKSA-N 1 1 337.467 2.990 10 10 EFCEMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000824450941 1289654791 /nfs/dbraw/zinc/65/47/91/1289654791.db2.gz CVKREZRWLDCVEX-AWEZNQCLSA-N 1 1 326.396 2.820 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000824451091 1289655889 /nfs/dbraw/zinc/65/58/89/1289655889.db2.gz HBQJLVLNAZBXTE-QGZVFWFLSA-N 1 1 331.460 2.807 10 10 EFCEMO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1c(C)nn(C)c1C ZINC000775028590 1290972100 /nfs/dbraw/zinc/97/21/00/1290972100.db2.gz DYZMRZRBCAXYGA-CYBMUJFWSA-N 1 1 348.403 2.900 10 10 EFCEMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000795693923 1291212235 /nfs/dbraw/zinc/21/22/35/1291212235.db2.gz RIHWXUCSLPZAPL-INIZCTEOSA-N 1 1 343.345 2.808 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1Cl ZINC000826043019 1291687222 /nfs/dbraw/zinc/68/72/22/1291687222.db2.gz CSVYNJBWZGSLMR-JGGQBBKZSA-N 1 1 325.836 2.716 10 10 EFCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](n3ccnn3)CC2)c1O ZINC000878940737 1291883790 /nfs/dbraw/zinc/88/37/90/1291883790.db2.gz LRMRNGFNLRVAIQ-HNNXBMFYSA-N 1 1 332.379 2.553 10 10 EFCEMO OCC1(c2ccccc2)C[NH+](Cc2ccc(Br)cc2O)C1 ZINC000826123052 1292249291 /nfs/dbraw/zinc/24/92/91/1292249291.db2.gz DUPNRIVMWJEAMN-UHFFFAOYSA-N 1 1 348.240 2.901 10 10 EFCEMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1 ZINC001195789083 1294035643 /nfs/dbraw/zinc/03/56/43/1294035643.db2.gz JSEHQAAQBJLCQW-KRWDZBQOSA-N 1 1 349.519 2.956 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1 ZINC001195789083 1294035645 /nfs/dbraw/zinc/03/56/45/1294035645.db2.gz JSEHQAAQBJLCQW-KRWDZBQOSA-N 1 1 349.519 2.956 10 10 EFCEMO COC[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000886359309 1294887317 /nfs/dbraw/zinc/88/73/17/1294887317.db2.gz ANHIHHAIQOHXSH-GXTWGEPZSA-N 1 1 344.249 2.686 10 10 EFCEMO CC(C)(C)c1cc(C[N@H+]2C[C@H](O)C[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000775993864 1295628391 /nfs/dbraw/zinc/62/83/91/1295628391.db2.gz DAJITYGCQRKOFU-JKSUJKDBSA-N 1 1 335.488 2.915 10 10 EFCEMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776013180 1295661057 /nfs/dbraw/zinc/66/10/57/1295661057.db2.gz LEFCRWYLUVRAGM-CABCVRRESA-N 1 1 341.835 2.897 10 10 EFCEMO CC[N@@H+](CCc1nnc(C)o1)Cc1cc(Br)ccc1O ZINC000929755976 1297205428 /nfs/dbraw/zinc/20/54/28/1297205428.db2.gz VCLZWTTYHKVNPC-UHFFFAOYSA-N 1 1 340.221 2.911 10 10 EFCEMO [NH3+][C@@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@@H]1C(F)(F)F ZINC000903983867 1313536205 /nfs/dbraw/zinc/53/62/05/1313536205.db2.gz MYFPWYMJYPGLHO-GXSJLCMTSA-N 1 1 326.721 2.896 10 10 EFCEMO COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000852338308 1299666321 /nfs/dbraw/zinc/66/63/21/1299666321.db2.gz QDCOCLKPXBUHOU-KGLIPLIRSA-N 1 1 344.377 2.926 10 10 EFCEMO CN1CCCc2cc(CNC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000852411907 1299694089 /nfs/dbraw/zinc/69/40/89/1299694089.db2.gz IVKJSMYCBBPDIC-QGZVFWFLSA-N 1 1 344.503 2.741 10 10 EFCEMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000853603130 1300188068 /nfs/dbraw/zinc/18/80/68/1300188068.db2.gz WWVFIUIQVBVZIC-OAHLLOKOSA-N 1 1 327.428 2.677 10 10 EFCEMO CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@@H]1CC[N@@H+](C)C1 ZINC000854176199 1300462199 /nfs/dbraw/zinc/46/21/99/1300462199.db2.gz BZOIDEWWQQVKAW-VQIMIIECSA-N 1 1 346.519 2.728 10 10 EFCEMO COC1CCN(c2ccc(C[N@@H+]3CCO[C@H](CCF)C3)cc2)CC1 ZINC000859908838 1301633697 /nfs/dbraw/zinc/63/36/97/1301633697.db2.gz PXCIFJPBSVTCRP-LJQANCHMSA-N 1 1 336.451 2.862 10 10 EFCEMO COC1CCN(c2ccc(C[N@H+]3CCO[C@H](CCF)C3)cc2)CC1 ZINC000859908838 1301633706 /nfs/dbraw/zinc/63/37/06/1301633706.db2.gz PXCIFJPBSVTCRP-LJQANCHMSA-N 1 1 336.451 2.862 10 10 EFCEMO COC(=O)C1C[C@H](C)[NH+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189333 1301735340 /nfs/dbraw/zinc/73/53/40/1301735340.db2.gz SCQOQSMVRJMQSV-QWRGUYRKSA-N 1 1 337.391 2.896 10 10 EFCEMO OC[C@]12CCC[C@H]1C[N@@H+](Cc1c(O)cccc1Br)C2 ZINC000862529175 1302405097 /nfs/dbraw/zinc/40/50/97/1302405097.db2.gz PHWJFBPJZKWCTM-XHDPSFHLSA-N 1 1 326.234 2.749 10 10 EFCEMO COC[C@@]1(C)C[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)CCO1 ZINC000862552002 1302412274 /nfs/dbraw/zinc/41/22/74/1302412274.db2.gz REVNFNFRXFWMGG-LJQANCHMSA-N 1 1 337.460 2.936 10 10 EFCEMO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cccc(Br)c1O)C2 ZINC000863651237 1302671545 /nfs/dbraw/zinc/67/15/45/1302671545.db2.gz IDQFJLKDKXXPER-GASCZTMLSA-N 1 1 325.250 2.586 10 10 EFCEMO CC(C)n1ncnc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000865417575 1303247533 /nfs/dbraw/zinc/24/75/33/1303247533.db2.gz QABGZZFHCZTNFX-UHFFFAOYSA-N 1 1 331.489 2.702 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c1 ZINC000865694674 1303368170 /nfs/dbraw/zinc/36/81/70/1303368170.db2.gz KEKFPAOEZWDUIQ-AEMFTRFGSA-N 1 1 338.245 2.976 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)cc2)CC1 ZINC000865736413 1303380694 /nfs/dbraw/zinc/38/06/94/1303380694.db2.gz JYJJOLJYWHSVBZ-NHCUHLMSSA-N 1 1 343.515 2.876 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)cc2)CC1 ZINC000865736414 1303380778 /nfs/dbraw/zinc/38/07/78/1303380778.db2.gz JYJJOLJYWHSVBZ-RTWAWAEBSA-N 1 1 343.515 2.876 10 10 EFCEMO C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000866437752 1303638867 /nfs/dbraw/zinc/63/88/67/1303638867.db2.gz NPIIIMJPANUKRE-JTQLQIEISA-N 1 1 331.359 2.679 10 10 EFCEMO C[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CCOCC3)[nH]2)c2c1c(F)ccc2O ZINC000866441507 1303639894 /nfs/dbraw/zinc/63/98/94/1303639894.db2.gz LNBQNVIQGYBECA-GXFFZTMASA-N 1 1 346.406 2.882 10 10 EFCEMO CC[C@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(N(C)C)cc1 ZINC000866628125 1303717123 /nfs/dbraw/zinc/71/71/23/1303717123.db2.gz KEHHIIAFDMYSFY-INIZCTEOSA-N 1 1 342.443 2.562 10 10 EFCEMO CC[C@@H]([NH2+]Cc1nc2c(c(=O)[nH]1)COCC2)c1ccc(N(C)C)cc1 ZINC000866628126 1303717735 /nfs/dbraw/zinc/71/77/35/1303717735.db2.gz KEHHIIAFDMYSFY-MRXNPFEDSA-N 1 1 342.443 2.562 10 10 EFCEMO O=C(NCCCSc1nccs1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900683912 1308524900 /nfs/dbraw/zinc/52/49/00/1308524900.db2.gz TULMGHPIYUZAJM-CHWSQXEVSA-N 1 1 325.503 2.758 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CC[C@](F)(c3ccccc3)C1)[C@@H](O)CO2 ZINC000800858610 1308559741 /nfs/dbraw/zinc/55/97/41/1308559741.db2.gz BNQUYNLYTMLTEF-PKOBYXMFSA-N 1 1 329.371 2.889 10 10 EFCEMO Oc1ccc2oc3c(c2c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2)CCCC3 ZINC000800862989 1308569372 /nfs/dbraw/zinc/56/93/72/1308569372.db2.gz CWYADUKQNVHRPH-BETUJISGSA-N 1 1 329.396 2.617 10 10 EFCEMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001162113412 1312050383 /nfs/dbraw/zinc/05/03/83/1312050383.db2.gz GHMDLVUJQCJZSH-WBVHZDCISA-N 1 1 335.467 2.542 10 10 EFCEMO CCCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000903056537 1312315046 /nfs/dbraw/zinc/31/50/46/1312315046.db2.gz QFYIQKSXEQHYQL-OAHLLOKOSA-N 1 1 343.475 2.500 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903178116 1312434123 /nfs/dbraw/zinc/43/41/23/1312434123.db2.gz CJARAKQVJMTCFS-PXWWUCIGSA-N 1 1 347.333 2.939 10 10 EFCEMO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@H]12)c1cc(F)cc(F)c1O ZINC000903271825 1312526540 /nfs/dbraw/zinc/52/65/40/1312526540.db2.gz OQXJWERQPABNLJ-NZVBXONLSA-N 1 1 328.428 2.901 10 10 EFCEMO C[C@H]([NH2+][C@@H]1CCCN2CCSC[C@H]12)c1cc(F)cc(F)c1O ZINC000903271823 1312526615 /nfs/dbraw/zinc/52/66/15/1312526615.db2.gz OQXJWERQPABNLJ-COLVAYQJSA-N 1 1 328.428 2.901 10 10 EFCEMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151519 1315601827 /nfs/dbraw/zinc/60/18/27/1315601827.db2.gz DJXSTSORDPSWHL-HNNXBMFYSA-N 1 1 326.234 2.892 10 10 EFCEMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151519 1315601831 /nfs/dbraw/zinc/60/18/31/1315601831.db2.gz DJXSTSORDPSWHL-HNNXBMFYSA-N 1 1 326.234 2.892 10 10 EFCEMO Cc1cc(Br)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000723706312 1315804588 /nfs/dbraw/zinc/80/45/88/1315804588.db2.gz YRRZLGKRNAYSHN-OKILXGFUSA-N 1 1 325.250 2.742 10 10 EFCEMO Cc1cc(C[N@H+]2C[C@H](CO)OC(C)(C)C2)ccc1N1CCCCC1 ZINC001307856767 1324783295 /nfs/dbraw/zinc/78/32/95/1324783295.db2.gz KQGGKWMFFPICGG-GOSISDBHSA-N 1 1 332.488 2.957 10 10 EFCEMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c1O ZINC001308108909 1324794441 /nfs/dbraw/zinc/79/44/41/1324794441.db2.gz OYCUGOGLBPZQTD-LBPRGKRZSA-N 1 1 338.835 2.548 10 10 EFCEMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@]1(O)CCCOC1 ZINC000851792639 1324830543 /nfs/dbraw/zinc/83/05/43/1324830543.db2.gz NPFUFZHSHLRXNR-HNNXBMFYSA-N 1 1 344.249 2.518 10 10 EFCEMO CC/C=C/CC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001324029004 1329592187 /nfs/dbraw/zinc/59/21/87/1329592187.db2.gz FWHYSQAMUCGQEH-WZPULVRGSA-N 1 1 343.431 2.962 10 10 EFCEMO C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C2(CCC2)CO1 ZINC001327310780 1330457570 /nfs/dbraw/zinc/45/75/70/1330457570.db2.gz HCNQQKPXKUAAKA-MRXNPFEDSA-N 1 1 347.478 2.721 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC001328252615 1330574764 /nfs/dbraw/zinc/57/47/64/1330574764.db2.gz HQRAFZMXXVKRFH-MXWKQRLJSA-N 1 1 328.315 2.832 10 10 EFCEMO CCC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001329032842 1330659624 /nfs/dbraw/zinc/65/96/24/1330659624.db2.gz SXSPYUCDBBNLEQ-MRXNPFEDSA-N 1 1 327.428 2.821 10 10 EFCEMO COc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)C)c1O ZINC000848515564 1334769011 /nfs/dbraw/zinc/76/90/11/1334769011.db2.gz YPPVQCXSCHOPGL-JTQLQIEISA-N 1 1 331.254 2.766 10 10 EFCEMO C[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000848561845 1334795965 /nfs/dbraw/zinc/79/59/65/1334795965.db2.gz CURCLHZHCVMJCC-UTUOFQBUSA-N 1 1 330.831 2.772 10 10 EFCEMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCCO1 ZINC000848575512 1334802867 /nfs/dbraw/zinc/80/28/67/1334802867.db2.gz RSHFOBOPVPKSSP-VQTJNVASSA-N 1 1 331.504 2.876 10 10 EFCEMO CCc1cccc(C[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1O ZINC000848888169 1334963094 /nfs/dbraw/zinc/96/30/94/1334963094.db2.gz NSZFZZRXFSGAST-SFHVURJKSA-N 1 1 346.471 2.558 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000848922232 1334989044 /nfs/dbraw/zinc/98/90/44/1334989044.db2.gz NSGGKQCOCUZSLF-LSDHHAIUSA-N 1 1 336.388 2.746 10 10 EFCEMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCC[C@@H]1O ZINC001459689749 1395976342 /nfs/dbraw/zinc/97/63/42/1395976342.db2.gz XXSCMZBTPJLNKM-WFASDCNBSA-N 1 1 341.835 2.572 10 10 EFCEMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCC[C@@H]1O ZINC001459689749 1395976345 /nfs/dbraw/zinc/97/63/45/1395976345.db2.gz XXSCMZBTPJLNKM-WFASDCNBSA-N 1 1 341.835 2.572 10 10 EFCEMO CCN(CC)c1ccc(CN(C)C(=O)CC[N@H+]2CC[C@H](F)C2)cc1 ZINC001463773292 1396520133 /nfs/dbraw/zinc/52/01/33/1396520133.db2.gz AWGCSYZOPLTSRD-KRWDZBQOSA-N 1 1 335.467 2.925 10 10 EFCEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001463815033 1396523153 /nfs/dbraw/zinc/52/31/53/1396523153.db2.gz UMTJWHSLGRGKDW-FQEVSTJZSA-N 1 1 327.472 2.731 10 10 EFCEMO C[C@@H]1CN(CC[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)C[C@H](C)O1 ZINC001473114919 1397283121 /nfs/dbraw/zinc/28/31/21/1397283121.db2.gz JHZHLGJRHSXYRH-CALCHBBNSA-N 1 1 331.504 2.826 10 10 EFCEMO C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001479477857 1397733885 /nfs/dbraw/zinc/73/38/85/1397733885.db2.gz WFKXNECAULUOEF-QGZVFWFLSA-N 1 1 344.503 2.913 10 10 EFCEMO CC[C@H](C)C[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496842754 1401031416 /nfs/dbraw/zinc/03/14/16/1401031416.db2.gz AGQOBSCPCZLULL-ZDUSSCGKSA-N 1 1 333.436 2.899 10 10 EFCEMO CN(CC[N@H+](C)C/C=C\Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496844032 1401033322 /nfs/dbraw/zinc/03/33/22/1401033322.db2.gz NZFIKAXVWUGQTJ-FCFCOYCESA-N 1 1 337.811 2.605 10 10 EFCEMO CN(CC[N@@H+](C)C/C=C\Cl)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496844032 1401033329 /nfs/dbraw/zinc/03/33/29/1401033329.db2.gz NZFIKAXVWUGQTJ-FCFCOYCESA-N 1 1 337.811 2.605 10 10 EFCEMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001557063768 1415103499 /nfs/dbraw/zinc/10/34/99/1415103499.db2.gz YVDPAVRUJOBYSJ-MAUKXSAKSA-N 1 1 331.504 2.981 10 10 EFCEMO CCN(C)c1ccc(C[N@H+]2CCN(c3cnccn3)[C@H](C)C2)cc1 ZINC001560239721 1415269259 /nfs/dbraw/zinc/26/92/59/1415269259.db2.gz KPFMKYXSMOQBEO-MRXNPFEDSA-N 1 1 325.460 2.643 10 10 EFCEMO CC[NH+]1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001565193360 1415390882 /nfs/dbraw/zinc/39/08/82/1415390882.db2.gz WJTSTQQYSHZASS-UHFFFAOYSA-N 1 1 340.471 2.941 10 10 EFCEMO CCN(OC)C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001645884228 1416579589 /nfs/dbraw/zinc/57/95/89/1416579589.db2.gz FTYFQGJFLLKXEN-UHFFFAOYSA-N 1 1 329.444 2.818 10 10 EFCEMO COc1ccc(C[NH+]2CCN(CCc3ccccc3)CC2)c(O)c1 ZINC000122326599 1417061366 /nfs/dbraw/zinc/06/13/66/1417061366.db2.gz NAXBAWKUNFCUOY-UHFFFAOYSA-N 1 1 326.440 2.761 10 10 EFCEMO Oc1ccc(Br)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000156080071 1418270169 /nfs/dbraw/zinc/27/01/69/1418270169.db2.gz FEDZGVVUXAGVPL-CQSZACIVSA-N 1 1 325.250 2.825 10 10 EFCEMO C[C@H](C[N@H+](C)CC[C@H](C)F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716508030 1418903138 /nfs/dbraw/zinc/90/31/38/1418903138.db2.gz IGDCJXSJBMVDJF-NWDGAFQWSA-N 1 1 337.399 2.647 10 10 EFCEMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804734273 713455555 /nfs/dbraw/zinc/45/55/55/713455555.db2.gz HCRIQABVRMIWFQ-CYBMUJFWSA-N 1 1 341.249 2.645 10 10 EFCEMO C[C@H]1C[C@@H](C(=O)NCc2cc(Br)ccc2O)CC[N@H+]1C ZINC000804740961 713457021 /nfs/dbraw/zinc/45/70/21/713457021.db2.gz QQYXRBBNGSEARY-QWRGUYRKSA-N 1 1 341.249 2.501 10 10 EFCEMO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000052529411 716269552 /nfs/dbraw/zinc/26/95/52/716269552.db2.gz JIEVFUMWBICAKW-KRWDZBQOSA-N 1 1 330.476 2.570 10 10 EFCEMO Cc1cc(N(C)C)ccc1C[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000840947221 718059755 /nfs/dbraw/zinc/05/97/55/718059755.db2.gz FFCOWPYCQOEPJH-QGZVFWFLSA-N 1 1 338.517 2.850 10 10 EFCEMO COC(=O)c1c(C[N@@H+]2CCCO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000893994950 720201140 /nfs/dbraw/zinc/20/11/40/720201140.db2.gz GBBPDYSJNGHZMF-LBPRGKRZSA-N 1 1 334.391 2.715 10 10 EFCEMO COC(=O)c1c(C[N@H+]2CCCO[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000893994950 720201144 /nfs/dbraw/zinc/20/11/44/720201144.db2.gz GBBPDYSJNGHZMF-LBPRGKRZSA-N 1 1 334.391 2.715 10 10 EFCEMO COC[C@@H]1CCC[N@@H+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894021622 720223707 /nfs/dbraw/zinc/22/37/07/720223707.db2.gz ODDWXGRJBFTRKY-CYBMUJFWSA-N 1 1 348.418 2.962 10 10 EFCEMO COC(=O)c1c(C[N@H+]2CCC[C@H]2C[C@H](C)O)c2cc(F)ccc2n1C ZINC000894034324 720234832 /nfs/dbraw/zinc/23/48/32/720234832.db2.gz REDGCFCTIQSHGQ-JSGCOSHPSA-N 1 1 348.418 2.839 10 10 EFCEMO COC(=O)c1c(C[N@H+]2CC[C@]3(CCOC3)C2)c2cc(F)ccc2n1C ZINC000894083550 720263671 /nfs/dbraw/zinc/26/36/71/720263671.db2.gz JEHSKTGPIBCGOO-IBGZPJMESA-N 1 1 346.402 2.716 10 10 EFCEMO CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC[N@H+]1C ZINC000866898940 721717511 /nfs/dbraw/zinc/71/75/11/721717511.db2.gz ATPSDZOHEVFVOU-OKZBNKHCSA-N 1 1 346.471 2.630 10 10 EFCEMO C[N@@H+](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCC1 ZINC000896184126 723178975 /nfs/dbraw/zinc/17/89/75/723178975.db2.gz MAIIVGUOJIGQLA-UHFFFAOYSA-N 1 1 334.441 2.917 10 10 EFCEMO CC[C@H](C[NH2+]Cc1cc(C)cc(Br)c1O)C(=O)OC ZINC000895128905 723391277 /nfs/dbraw/zinc/39/12/77/723391277.db2.gz ZFEUPTOYCJTSIH-SNVBAGLBSA-N 1 1 330.222 2.752 10 10 EFCEMO C[C@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C[N@H+]1C1CC1 ZINC000896899584 723802092 /nfs/dbraw/zinc/80/20/92/723802092.db2.gz UJFBWDAWKAELIB-ONGXEEELSA-N 1 1 332.425 2.668 10 10 EFCEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCCSc1nccs1 ZINC000154665455 728851443 /nfs/dbraw/zinc/85/14/43/728851443.db2.gz CJJNBLXNYWHYET-CYBMUJFWSA-N 1 1 342.534 2.751 10 10 EFCEMO COCc1ncc2c(n1)CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C2 ZINC000895416938 724125121 /nfs/dbraw/zinc/12/51/21/724125121.db2.gz ICMXZKBUYGHRPL-SNAWJCMRSA-N 1 1 338.455 2.761 10 10 EFCEMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4nccs4)C3)cc2)CC1 ZINC000895581806 724212113 /nfs/dbraw/zinc/21/21/13/724212113.db2.gz 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2.915 10 10 EFCEMO CCCCC[NH+]1CC(N(C)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001483893740 1112552151 /nfs/dbraw/zinc/55/21/51/1112552151.db2.gz BQOWKIPPEFGKTH-UHFFFAOYSA-N 1 1 331.420 2.795 10 10 EFCEMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@]4(CCOC4)C3)c2c1 ZINC000184290285 1118992492 /nfs/dbraw/zinc/99/24/92/1118992492.db2.gz ADNZDTHHEKVAEG-LJQANCHMSA-N 1 1 329.396 2.545 10 10 EFCEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180758924 529760982 /nfs/dbraw/zinc/76/09/82/529760982.db2.gz MFGUXUFQFIXEEE-VFADXPBXSA-N 1 1 341.411 2.734 10 10 EFCEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)cc1 ZINC000175148615 239257151 /nfs/dbraw/zinc/25/71/51/239257151.db2.gz MKTSYGQIAXPQCT-SFHVURJKSA-N 1 1 341.459 2.632 10 10 EFCEMO CN(C)c1noc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000194938512 240189038 /nfs/dbraw/zinc/18/90/38/240189038.db2.gz FPDRAWMFIROHKC-LBPRGKRZSA-N 1 1 336.823 2.874 10 10 EFCEMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000194938492 240186511 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EFCEMO c1cc(C[C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000378631360 242538082 /nfs/dbraw/zinc/53/80/82/242538082.db2.gz JCCRREMBIANGRN-FQEVSTJZSA-N 1 1 337.467 2.983 10 10 EFCEMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC000173993466 533584676 /nfs/dbraw/zinc/58/46/76/533584676.db2.gz VHZHRUGQUSBWFT-APWZRJJASA-N 1 1 344.503 2.911 10 10 EFCEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181317529 278240897 /nfs/dbraw/zinc/24/08/97/278240897.db2.gz GFHIFEFSUJYKCS-GDXASINISA-N 1 1 340.423 2.748 10 10 EFCEMO Cn1cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)c(C(F)(F)F)n1 ZINC000138078152 473214577 /nfs/dbraw/zinc/21/45/77/473214577.db2.gz IJFZENXAEBJRPM-UHFFFAOYSA-N 1 1 343.305 2.505 10 10 EFCEMO Cn1cc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)c(C(F)(F)F)n1 ZINC000138078152 473214581 /nfs/dbraw/zinc/21/45/81/473214581.db2.gz IJFZENXAEBJRPM-UHFFFAOYSA-N 1 1 343.305 2.505 10 10 EFCEMO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000113226190 473368603 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)c1 ZINC000756785178 575786627 /nfs/dbraw/zinc/78/66/27/575786627.db2.gz BJDJCPWGONUGHD-LBPRGKRZSA-N 1 1 345.443 2.813 10 10 EFCEMO O=C(Cn1c[nH+]c2c1CCCC2)NCc1c(O)ccc2c1CCCC2 ZINC000758292213 575865720 /nfs/dbraw/zinc/86/57/20/575865720.db2.gz GNFDBTFQZOJMBZ-UHFFFAOYSA-N 1 1 339.439 2.663 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CCO[C@@H](C3CCCCC3)C1)[C@@H](O)CO2 ZINC000758293442 575865780 /nfs/dbraw/zinc/86/57/80/575865780.db2.gz ZNPXYNNXGDGVRI-PKOBYXMFSA-N 1 1 333.428 2.599 10 10 EFCEMO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C)cc(Br)c1O ZINC000759174543 575886273 /nfs/dbraw/zinc/88/62/73/575886273.db2.gz VPKDFGHTORODDD-ZIAGYGMSSA-N 1 1 344.249 2.747 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@H+](C)CCc2cnccn2)c1 ZINC000761215802 576130724 /nfs/dbraw/zinc/13/07/24/576130724.db2.gz UYHKJPCPJQORLX-UHFFFAOYSA-N 1 1 336.233 2.928 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@@H+](C)CCc2cnccn2)c1 ZINC000761215802 576130725 /nfs/dbraw/zinc/13/07/25/576130725.db2.gz 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577359811 /nfs/dbraw/zinc/35/98/11/577359811.db2.gz LCRHGDLDAQPNSS-HNNXBMFYSA-N 1 1 332.444 2.625 10 10 EFCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769487490 577366512 /nfs/dbraw/zinc/36/65/12/577366512.db2.gz XIFDDFJBNZMGDG-HXUWFJFHSA-N 1 1 330.472 2.916 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2CCSC[C@@H]2CCO)cc1F ZINC000770304914 577410779 /nfs/dbraw/zinc/41/07/79/577410779.db2.gz DWPYSKMGRLACLO-HNNXBMFYSA-N 1 1 326.481 2.972 10 10 EFCEMO Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000771634758 581229265 /nfs/dbraw/zinc/22/92/65/581229265.db2.gz CKJHJZMVZGSXGW-QGZVFWFLSA-N 1 1 329.444 2.933 10 10 EFCEMO Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cc(C)cc(C)c1O ZINC000771634758 581229267 /nfs/dbraw/zinc/22/92/67/581229267.db2.gz CKJHJZMVZGSXGW-QGZVFWFLSA-N 1 1 329.444 2.933 10 10 EFCEMO CCN(C)c1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000773758538 581462354 /nfs/dbraw/zinc/46/23/54/581462354.db2.gz VAMMPKXBJBDSNL-OAQYLSRUSA-N 1 1 344.547 2.745 10 10 EFCEMO COC[C@@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000774095268 581483088 /nfs/dbraw/zinc/48/30/88/581483088.db2.gz NVYCBQLQSZORAO-OAHLLOKOSA-N 1 1 344.455 2.986 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774941648 581504746 /nfs/dbraw/zinc/50/47/46/581504746.db2.gz BZVWOGOPDRSULH-HNNXBMFYSA-N 1 1 328.368 2.956 10 10 EFCEMO [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357870 1250447145 /nfs/dbraw/zinc/44/71/45/1250447145.db2.gz WUDFUAZPGWXIPD-GOSISDBHSA-N 1 1 346.858 2.902 10 10 EFCEMO [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357870 1250447151 /nfs/dbraw/zinc/44/71/51/1250447151.db2.gz WUDFUAZPGWXIPD-GOSISDBHSA-N 1 1 346.858 2.902 10 10 EFCEMO C[C@@H](O)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000850419956 1250477927 /nfs/dbraw/zinc/47/79/27/1250477927.db2.gz IXISVGJAAIGRJV-DYESRHJHSA-N 1 1 339.483 2.650 10 10 EFCEMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2ncccn2)c1O ZINC000850550646 1250531822 /nfs/dbraw/zinc/53/18/22/1250531822.db2.gz BLBPTKIJWOIAII-SECBINFHSA-N 1 1 338.205 2.804 10 10 EFCEMO C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCC[C@H]21 ZINC000850568068 1250540943 /nfs/dbraw/zinc/54/09/43/1250540943.db2.gz OTYYWCMDVRVIFY-PCCBWWKXSA-N 1 1 343.515 2.610 10 10 EFCEMO CN1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCC[C@H]21 ZINC000850568068 1250540948 /nfs/dbraw/zinc/54/09/48/1250540948.db2.gz OTYYWCMDVRVIFY-PCCBWWKXSA-N 1 1 343.515 2.610 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)[C@@H](C)O)c1 ZINC000850585168 1250548017 /nfs/dbraw/zinc/54/80/17/1250548017.db2.gz WMMKEXUKMXXZSY-JCGVRSQUSA-N 1 1 329.396 2.952 10 10 EFCEMO Fc1cc(C[NH2+][C@@H](c2ncccn2)C2CC2)ccc1N1CCOCC1 ZINC000922578602 1266307331 /nfs/dbraw/zinc/30/73/31/1266307331.db2.gz BPIVALCMZNRPJS-GOSISDBHSA-N 1 1 342.418 2.693 10 10 EFCEMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1OC ZINC000824696953 1278229761 /nfs/dbraw/zinc/22/97/61/1278229761.db2.gz VQJNQNHYYZCWIB-XHSDSOJGSA-N 1 1 335.444 2.925 10 10 EFCEMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCCC[C@@H]3C)CC2)cc1 ZINC000734002048 1266808120 /nfs/dbraw/zinc/80/81/20/1266808120.db2.gz KGEIKNPSKZGXRX-KRWDZBQOSA-N 1 1 345.487 2.608 10 10 EFCEMO COc1c(O)c(C[NH2+]C2CCC(OC(F)F)CC2)ccc1[N+](=O)[O-] ZINC000825145233 1278428555 /nfs/dbraw/zinc/42/85/55/1278428555.db2.gz XOTZLICBPNZYOL-UHFFFAOYSA-N 1 1 346.330 2.949 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2ccon2)c1O ZINC000739880419 1268771131 /nfs/dbraw/zinc/77/11/31/1268771131.db2.gz QVOMVXNFNSKEMU-UHFFFAOYSA-N 1 1 326.352 2.952 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2ccon2)c1O ZINC000739880419 1268771138 /nfs/dbraw/zinc/77/11/38/1268771138.db2.gz QVOMVXNFNSKEMU-UHFFFAOYSA-N 1 1 326.352 2.952 10 10 EFCEMO Cc1cc(O)c(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)cc1C(C)C ZINC000740866585 1269140931 /nfs/dbraw/zinc/14/09/31/1269140931.db2.gz FHXRUFBAJLSTCJ-CQSZACIVSA-N 1 1 325.474 2.691 10 10 EFCEMO CN(C)c1ccc(C[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)C2CC2)cc1 ZINC000844276816 1278850149 /nfs/dbraw/zinc/85/01/49/1278850149.db2.gz INVHSEPDZDFEDH-SFHVURJKSA-N 1 1 329.444 2.700 10 10 EFCEMO COC(=O)C[N@H+](CCC(C)(C)OC)Cc1cc(Cl)ccc1O ZINC000787266249 1275740115 /nfs/dbraw/zinc/74/01/15/1275740115.db2.gz ZQZPYOOGNKGUAT-UHFFFAOYSA-N 1 1 329.824 2.836 10 10 EFCEMO COC(=O)C[N@@H+](CCC(C)(C)OC)Cc1cc(Cl)ccc1O ZINC000787266249 1275740124 /nfs/dbraw/zinc/74/01/24/1275740124.db2.gz ZQZPYOOGNKGUAT-UHFFFAOYSA-N 1 1 329.824 2.836 10 10 EFCEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](CC)CC[C@@H]1C)cc2=O ZINC001170280379 1278994341 /nfs/dbraw/zinc/99/43/41/1278994341.db2.gz DDWXXYXPGLSJEW-QWHCGFSZSA-N 1 1 346.431 2.622 10 10 EFCEMO Cc1ccc([C@@H](C)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c(O)c1 ZINC000788606625 1276238309 /nfs/dbraw/zinc/23/83/09/1276238309.db2.gz BDZGTOABPVTGSL-CQSZACIVSA-N 1 1 339.439 2.717 10 10 EFCEMO Cc1ccc([C@@H](C)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c(O)c1 ZINC000788606625 1276238313 /nfs/dbraw/zinc/23/83/13/1276238313.db2.gz BDZGTOABPVTGSL-CQSZACIVSA-N 1 1 339.439 2.717 10 10 EFCEMO N[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903117 1276367077 /nfs/dbraw/zinc/36/70/77/1276367077.db2.gz ICEWUWGNVHMRLN-HOTGVXAUSA-N 1 1 325.403 2.726 10 10 EFCEMO CN(C)c1ccc(/C=C/C[NH2+]C2(c3ncccn3)CCOCC2)cc1 ZINC000923011619 1276522647 /nfs/dbraw/zinc/52/26/47/1276522647.db2.gz VSTHPUAEQXDNEH-HWKANZROSA-N 1 1 338.455 2.851 10 10 EFCEMO C[N@@H+](Cc1c(O)cccc1Cl)C1CCN(c2cnccn2)CC1 ZINC000789770712 1276974042 /nfs/dbraw/zinc/97/40/42/1276974042.db2.gz QTTCEHHCFZEKHM-UHFFFAOYSA-N 1 1 332.835 2.936 10 10 EFCEMO Cc1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)ccc1N(C)C ZINC000815054625 1287270738 /nfs/dbraw/zinc/27/07/38/1287270738.db2.gz JQSCRDGVZSWVAV-IBGZPJMESA-N 1 1 331.504 2.748 10 10 EFCEMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815093796 1287320926 /nfs/dbraw/zinc/32/09/26/1287320926.db2.gz SXBVTUIORMTTFH-SJORKVTESA-N 1 1 334.460 2.604 10 10 EFCEMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001147887921 1281322663 /nfs/dbraw/zinc/32/26/63/1281322663.db2.gz GYUGRPHSZRWFMV-OAHLLOKOSA-N 1 1 331.460 2.598 10 10 EFCEMO Fc1cc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)ccc1N1CCOCC1 ZINC000872254831 1287503657 /nfs/dbraw/zinc/50/36/57/1287503657.db2.gz DHKGPKYLHWIOEK-MRXNPFEDSA-N 1 1 344.377 2.518 10 10 EFCEMO Fc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)ccc1N1CCOCC1 ZINC000872254831 1287503664 /nfs/dbraw/zinc/50/36/64/1287503664.db2.gz DHKGPKYLHWIOEK-MRXNPFEDSA-N 1 1 344.377 2.518 10 10 EFCEMO Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1O ZINC000809769610 1282430635 /nfs/dbraw/zinc/43/06/35/1282430635.db2.gz PWTWDRXVLRCMNE-JKOKRWQUSA-N 1 1 344.377 2.978 10 10 EFCEMO Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1O ZINC000809769610 1282430643 /nfs/dbraw/zinc/43/06/43/1282430643.db2.gz PWTWDRXVLRCMNE-JKOKRWQUSA-N 1 1 344.377 2.978 10 10 EFCEMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813032934 1285598810 /nfs/dbraw/zinc/59/88/10/1285598810.db2.gz XTRNISZVFKKYSR-IBGZPJMESA-N 1 1 349.450 2.691 10 10 EFCEMO OC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC001176927559 1288176945 /nfs/dbraw/zinc/17/69/45/1288176945.db2.gz SVFJSRBIHQWWQV-IBGZPJMESA-N 1 1 348.393 2.625 10 10 EFCEMO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)c(F)cc2O)CN1 ZINC000816521944 1288199893 /nfs/dbraw/zinc/19/98/93/1288199893.db2.gz DZFMEOIQHCEYDK-YGRLFVJLSA-N 1 1 326.799 2.675 10 10 EFCEMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)CN1 ZINC000816521944 1288199902 /nfs/dbraw/zinc/19/99/02/1288199902.db2.gz DZFMEOIQHCEYDK-YGRLFVJLSA-N 1 1 326.799 2.675 10 10 EFCEMO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)c(F)cc2O)CN1 ZINC000816521942 1288200100 /nfs/dbraw/zinc/20/01/00/1288200100.db2.gz DZFMEOIQHCEYDK-IINYFYTJSA-N 1 1 326.799 2.675 10 10 EFCEMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)CN1 ZINC000816521942 1288200109 /nfs/dbraw/zinc/20/01/09/1288200109.db2.gz DZFMEOIQHCEYDK-IINYFYTJSA-N 1 1 326.799 2.675 10 10 EFCEMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573715 1288213298 /nfs/dbraw/zinc/21/32/98/1288213298.db2.gz IRGQLRAMRPTBBY-RYUDHWBXSA-N 1 1 345.798 2.727 10 10 EFCEMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573715 1288213303 /nfs/dbraw/zinc/21/33/03/1288213303.db2.gz IRGQLRAMRPTBBY-RYUDHWBXSA-N 1 1 345.798 2.727 10 10 EFCEMO COC(=O)[C@]12C[N@@H+](Cc3ccc4ccccc4c3O)C[C@H]1COCC2 ZINC000816596468 1288218252 /nfs/dbraw/zinc/21/82/52/1288218252.db2.gz DIYKADRQZOBEIN-OXJNMPFZSA-N 1 1 341.407 2.557 10 10 EFCEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817414335 1288591947 /nfs/dbraw/zinc/59/19/47/1288591947.db2.gz FNOMXXXHZFYIFH-QGZVFWFLSA-N 1 1 340.423 2.539 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@@H](O)CO ZINC000817417580 1288594391 /nfs/dbraw/zinc/59/43/91/1288594391.db2.gz PXAWLLWQFGFPJD-GOSISDBHSA-N 1 1 348.512 2.948 10 10 EFCEMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3SC)cc2F)CC1 ZINC000822456096 1288995645 /nfs/dbraw/zinc/99/56/45/1288995645.db2.gz OCUKKRKSLJIPCN-AEFFLSMTSA-N 1 1 337.508 2.951 10 10 EFCEMO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccc(Br)cc1O ZINC000824534350 1289685642 /nfs/dbraw/zinc/68/56/42/1289685642.db2.gz CFRYUGIQLCHPBM-UHFFFAOYSA-N 1 1 329.238 2.501 10 10 EFCEMO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(Br)cc1O ZINC000824534350 1289685650 /nfs/dbraw/zinc/68/56/50/1289685650.db2.gz CFRYUGIQLCHPBM-UHFFFAOYSA-N 1 1 329.238 2.501 10 10 EFCEMO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636519 1289733828 /nfs/dbraw/zinc/73/38/28/1289733828.db2.gz RLDJQXVAWRRYFP-QFBILLFUSA-N 1 1 331.387 2.701 10 10 EFCEMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@]4(CCCOC4)C3)c2c1 ZINC000795633714 1290706285 /nfs/dbraw/zinc/70/62/85/1290706285.db2.gz UUNDMLVKLQLJGN-HXUWFJFHSA-N 1 1 343.423 2.935 10 10 EFCEMO COc1c(O)c(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000775038555 1290994679 /nfs/dbraw/zinc/99/46/79/1290994679.db2.gz VNOVGNCLRRIHMW-WFASDCNBSA-N 1 1 338.404 2.730 10 10 EFCEMO COC(=O)[C@@H](CC(C)C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000795869453 1291598898 /nfs/dbraw/zinc/59/88/98/1291598898.db2.gz XJPPVAFQWQIYMY-GOSISDBHSA-N 1 1 334.460 2.795 10 10 EFCEMO COC(=O)c1ccc2[nH]c(C[N@H+](C)Cc3ccccc3O)nc2c1 ZINC001191682123 1292600702 /nfs/dbraw/zinc/60/07/02/1292600702.db2.gz MGPZCUOAQANKRR-UHFFFAOYSA-N 1 1 325.368 2.687 10 10 EFCEMO COC(=O)c1ccc2[nH]c(C[N@@H+](C)Cc3ccccc3O)nc2c1 ZINC001191682123 1292600707 /nfs/dbraw/zinc/60/07/07/1292600707.db2.gz MGPZCUOAQANKRR-UHFFFAOYSA-N 1 1 325.368 2.687 10 10 EFCEMO Cc1cc(Cl)cc(C[NH+]2CCN(C3=NC[C@H](C)S3)CC2)c1O ZINC000775718799 1294254336 /nfs/dbraw/zinc/25/43/36/1294254336.db2.gz PEYPXVNJQNCNRQ-LBPRGKRZSA-N 1 1 339.892 2.963 10 10 EFCEMO COC[C@H]([NH2+]Cc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000886359310 1294887999 /nfs/dbraw/zinc/88/79/99/1294887999.db2.gz ANHIHHAIQOHXSH-JSGCOSHPSA-N 1 1 344.249 2.686 10 10 EFCEMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)cc(C)c1O ZINC000776013182 1295660635 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EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865779312 1303396476 /nfs/dbraw/zinc/39/64/76/1303396476.db2.gz GRPKXNDQEMOPAU-LLVKDONJSA-N 1 1 329.799 2.860 10 10 EFCEMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000865925738 1303456693 /nfs/dbraw/zinc/45/66/93/1303456693.db2.gz MDHCONRPLLPSOA-LOWQCSRCSA-N 1 1 347.415 2.702 10 10 EFCEMO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000902765711 1312087469 /nfs/dbraw/zinc/08/74/69/1312087469.db2.gz ADAOYNZEHNPDHD-HOTGVXAUSA-N 1 1 343.475 2.937 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000903178113 1312434217 /nfs/dbraw/zinc/43/42/17/1312434217.db2.gz CJARAKQVJMTCFS-CHIMOYNISA-N 1 1 347.333 2.939 10 10 EFCEMO C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1O ZINC000903214254 1312469158 /nfs/dbraw/zinc/46/91/58/1312469158.db2.gz TXTGYHOIJQOPJJ-QWRGUYRKSA-N 1 1 330.350 2.930 10 10 EFCEMO C[C@H]([NH2+][C@H]1CCCN2CCSC[C@@H]12)c1cc(F)cc(F)c1O ZINC000903271824 1312526533 /nfs/dbraw/zinc/52/65/33/1312526533.db2.gz OQXJWERQPABNLJ-LKTVYLICSA-N 1 1 328.428 2.901 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)CCc2ccccc2)c1 ZINC000903290025 1312540942 /nfs/dbraw/zinc/54/09/42/1312540942.db2.gz RJBJWIUYXSEOCL-YOEHRIQHSA-N 1 1 343.423 2.823 10 10 EFCEMO COc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000179473428 1314702944 /nfs/dbraw/zinc/70/29/44/1314702944.db2.gz LIHHMUVRYJMWAZ-CQSZACIVSA-N 1 1 336.432 2.842 10 10 EFCEMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151520 1315602056 /nfs/dbraw/zinc/60/20/56/1315602056.db2.gz DJXSTSORDPSWHL-OAHLLOKOSA-N 1 1 326.234 2.892 10 10 EFCEMO Oc1c(Br)cccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151520 1315602059 /nfs/dbraw/zinc/60/20/59/1315602059.db2.gz DJXSTSORDPSWHL-OAHLLOKOSA-N 1 1 326.234 2.892 10 10 EFCEMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1O ZINC000827151487 1315602029 /nfs/dbraw/zinc/60/20/29/1315602029.db2.gz CHVDRXYOAAZILO-YABSGUDNSA-N 1 1 328.250 2.912 10 10 EFCEMO Cc1cc(O)c(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c(Cl)c1 ZINC000827544932 1315998062 /nfs/dbraw/zinc/99/80/62/1315998062.db2.gz OKCMRTNOLICYEN-LBPRGKRZSA-N 1 1 325.840 2.542 10 10 EFCEMO C[NH+](C)[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001299721629 1316378330 /nfs/dbraw/zinc/37/83/30/1316378330.db2.gz NNSRLUPESGMYCI-GOSISDBHSA-N 1 1 335.407 2.860 10 10 EFCEMO Cc1cc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]n1 ZINC001319695797 1328954192 /nfs/dbraw/zinc/95/41/92/1328954192.db2.gz WLZGZFXKEAYPOQ-UHFFFAOYSA-N 1 1 339.487 2.540 10 10 EFCEMO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001320395181 1329123557 /nfs/dbraw/zinc/12/35/57/1329123557.db2.gz ROYSBSZHQPMUDN-LJQANCHMSA-N 1 1 345.487 2.608 10 10 EFCEMO Cc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+](C)C1CCCC1 ZINC001304793987 1324662681 /nfs/dbraw/zinc/66/26/81/1324662681.db2.gz AFCLTTRKFHMFGP-UHFFFAOYSA-N 1 1 343.475 2.803 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC001307896495 1324785533 /nfs/dbraw/zinc/78/55/33/1324785533.db2.gz BIMXRQQHSQCJFQ-IBGZPJMESA-N 1 1 328.456 2.667 10 10 EFCEMO CC[N@H+]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC001312885043 1324998072 /nfs/dbraw/zinc/99/80/72/1324998072.db2.gz OAJINIVQNGVOIT-IRXDYDNUSA-N 1 1 346.519 2.728 10 10 EFCEMO O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1Cc2cccc(O)c2C1 ZINC001329665552 1330727119 /nfs/dbraw/zinc/72/71/19/1330727119.db2.gz DCCOSTJUIBZPSC-GOSISDBHSA-N 1 1 337.423 2.684 10 10 EFCEMO O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1Cc2cccc(O)c2C1 ZINC001329665552 1330727121 /nfs/dbraw/zinc/72/71/21/1330727121.db2.gz DCCOSTJUIBZPSC-GOSISDBHSA-N 1 1 337.423 2.684 10 10 EFCEMO CCOC(=O)[C@@]1(F)C[N@@H+](Cc2c(O)cccc2OC)C[C@@H]1CC ZINC001332026740 1330906244 /nfs/dbraw/zinc/90/62/44/1330906244.db2.gz WKQCGWWRBJPLIW-YVEFUNNKSA-N 1 1 325.380 2.514 10 10 EFCEMO CN(C)c1ccc(/C=C/C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC001333735016 1331204014 /nfs/dbraw/zinc/20/40/14/1331204014.db2.gz VSDBHGAWRMGHEL-GNAXCBTBSA-N 1 1 330.472 2.629 10 10 EFCEMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001349835986 1333003435 /nfs/dbraw/zinc/00/34/35/1333003435.db2.gz SARNVRHXIVNNTR-RRFJBIMHSA-N 1 1 337.460 2.615 10 10 EFCEMO CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H]1CC[N@@H+](CC)C1 ZINC001350480624 1333087973 /nfs/dbraw/zinc/08/79/73/1333087973.db2.gz XRUGVLKWXQHQJT-HNNXBMFYSA-N 1 1 336.455 2.517 10 10 EFCEMO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c(C)n1-c1ccccn1 ZINC001351024075 1333168754 /nfs/dbraw/zinc/16/87/54/1333168754.db2.gz APVYVRGUXKMSKM-CGTJXYLNSA-N 1 1 338.455 2.559 10 10 EFCEMO Cc1cc(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c(C)n1-c1ccccn1 ZINC001351024081 1333168906 /nfs/dbraw/zinc/16/89/06/1333168906.db2.gz APVYVRGUXKMSKM-RYQLBKOJSA-N 1 1 338.455 2.559 10 10 EFCEMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC2(CCCCC2)O1 ZINC000848504073 1334761287 /nfs/dbraw/zinc/76/12/87/1334761287.db2.gz ATWWZXKXARJZEG-CXAGYDPISA-N 1 1 333.428 2.742 10 10 EFCEMO COc1c(C)cccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000848923784 1334988824 /nfs/dbraw/zinc/98/88/24/1334988824.db2.gz PRQKWWAGDUODIV-UHFFFAOYSA-N 1 1 332.356 2.916 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)ccc1[N+](=O)[O-] ZINC000848928826 1334992579 /nfs/dbraw/zinc/99/25/79/1334992579.db2.gz ORWJDYPVQJSZMN-ZDUSSCGKSA-N 1 1 336.388 2.890 10 10 EFCEMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)c3ccc(C)c(O)c3O)C2)cc1 ZINC001455017590 1394516236 /nfs/dbraw/zinc/51/62/36/1394516236.db2.gz YFMWQQNFVOBFJQ-MRXNPFEDSA-N 1 1 340.423 2.719 10 10 EFCEMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001459558150 1395932135 /nfs/dbraw/zinc/93/21/35/1395932135.db2.gz UXJFOHKYGWNERX-LLVKDONJSA-N 1 1 328.376 2.534 10 10 EFCEMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001478840376 1397591751 /nfs/dbraw/zinc/59/17/51/1397591751.db2.gz BANNNVMLZSCCEY-RDJZCZTQSA-N 1 1 346.519 2.633 10 10 EFCEMO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@H+](CC)C1CC1 ZINC001498676046 1402237456 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OCC1([C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C2CC2)CCOCC1 ZINC000293932322 475059570 /nfs/dbraw/zinc/05/95/70/475059570.db2.gz HKXNVIMNCRYKQY-MRXNPFEDSA-N 1 1 343.826 2.842 10 10 EFCEMO COc1cccc([C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000268913148 475067538 /nfs/dbraw/zinc/06/75/38/475067538.db2.gz ZMCQBWXJKHYIGZ-LJQANCHMSA-N 1 1 343.379 2.703 10 10 EFCEMO COc1cccc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000268913148 475067545 /nfs/dbraw/zinc/06/75/45/475067545.db2.gz ZMCQBWXJKHYIGZ-LJQANCHMSA-N 1 1 343.379 2.703 10 10 EFCEMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)[C@H]1CCN2CCO[C@H]1C2 ZINC000295050965 475100105 /nfs/dbraw/zinc/10/01/05/475100105.db2.gz FUTOYYXADGFJQK-FPOVZHCZSA-N 1 1 338.451 2.964 10 10 EFCEMO OCC[N@H+](CCOCC(F)(F)F)Cc1cc(Cl)c(F)cc1O ZINC000295295767 475118953 /nfs/dbraw/zinc/11/89/53/475118953.db2.gz JLJLKPGETUUUAF-UHFFFAOYSA-N 1 1 345.720 2.558 10 10 EFCEMO OCC[N@@H+](CCOCC(F)(F)F)Cc1cc(Cl)c(F)cc1O ZINC000295295767 475118960 /nfs/dbraw/zinc/11/89/60/475118960.db2.gz JLJLKPGETUUUAF-UHFFFAOYSA-N 1 1 345.720 2.558 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292757739 475185752 /nfs/dbraw/zinc/18/57/52/475185752.db2.gz JEQDKCNLAZMGJU-SMDDNHRTSA-N 1 1 328.315 2.786 10 10 EFCEMO COc1c(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292757739 475185759 /nfs/dbraw/zinc/18/57/59/475185759.db2.gz JEQDKCNLAZMGJU-SMDDNHRTSA-N 1 1 328.315 2.786 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373973382 476444248 /nfs/dbraw/zinc/44/42/48/476444248.db2.gz BHWFGAWXMPGMDY-YZVOILCLSA-N 1 1 335.444 2.949 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 ZINC000373973383 476444489 /nfs/dbraw/zinc/44/44/89/476444489.db2.gz BHWFGAWXMPGMDY-ZRGWGRIASA-N 1 1 335.444 2.949 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373973380 476444988 /nfs/dbraw/zinc/44/49/88/476444988.db2.gz BHWFGAWXMPGMDY-DOXZYTNZSA-N 1 1 335.444 2.949 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000374723881 476503694 /nfs/dbraw/zinc/50/36/94/476503694.db2.gz QZXOQTULCWGQDE-ZBEGNZNMSA-N 1 1 343.826 2.842 10 10 EFCEMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1O ZINC000371854863 477528898 /nfs/dbraw/zinc/52/88/98/477528898.db2.gz ZODDRPCLYLIVEZ-RISCZKNCSA-N 1 1 338.835 2.545 10 10 EFCEMO COCC[C@@H]1CCCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000372104454 477642371 /nfs/dbraw/zinc/64/23/71/477642371.db2.gz YDAGFHNJPFFWBQ-SFHVURJKSA-N 1 1 347.503 2.507 10 10 EFCEMO COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)ccc21 ZINC000590808755 478350519 /nfs/dbraw/zinc/35/05/19/478350519.db2.gz VAXLUKBQSLTEIX-QGZVFWFLSA-N 1 1 343.471 2.729 10 10 EFCEMO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(O)c1 ZINC000528145870 478656250 /nfs/dbraw/zinc/65/62/50/478656250.db2.gz FNVHRMOFWMEIIY-MRXNPFEDSA-N 1 1 347.459 2.607 10 10 EFCEMO CC1(C)CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c2cc(F)ccc21 ZINC000662582884 481886369 /nfs/dbraw/zinc/88/63/69/481886369.db2.gz RVXPUUIINNMENR-LLVKDONJSA-N 1 1 328.391 2.564 10 10 EFCEMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000754726337 575478451 /nfs/dbraw/zinc/47/84/51/575478451.db2.gz PRYAYDNELCODLD-OAHLLOKOSA-N 1 1 332.444 2.544 10 10 EFCEMO C[C@@H]([NH2+]Cc1ccnn1C)c1cc(Br)c(F)cc1O ZINC000756400301 575731212 /nfs/dbraw/zinc/73/12/12/575731212.db2.gz JLOTVJHKFSRENK-MRVPVSSYSA-N 1 1 328.185 2.878 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)c2sccc2C)c1 ZINC000756736606 575782313 /nfs/dbraw/zinc/78/23/13/575782313.db2.gz ORVBDIUPNCGANH-RISCZKNCSA-N 1 1 335.425 2.933 10 10 EFCEMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC000757866884 575854877 /nfs/dbraw/zinc/85/48/77/575854877.db2.gz ONLUQWZITHOJTJ-OALUTQOASA-N 1 1 332.488 2.752 10 10 EFCEMO CCCC1(C(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000760469860 576029121 /nfs/dbraw/zinc/02/91/21/576029121.db2.gz HFVWGOCBVUPJQR-UHFFFAOYSA-N 1 1 345.487 2.514 10 10 EFCEMO O=S1(=O)CCC(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000767397435 577207267 /nfs/dbraw/zinc/20/72/67/577207267.db2.gz IEJVQZOEQLZLOC-UHFFFAOYSA-N 1 1 337.485 2.962 10 10 EFCEMO O=S1(=O)CCC(C[N@@H+](Cc2ccco2)Cc2ccccc2O)CC1 ZINC000767427366 577208093 /nfs/dbraw/zinc/20/80/93/577208093.db2.gz ZCUABYNXSADWDA-UHFFFAOYSA-N 1 1 349.452 2.812 10 10 EFCEMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462625 577276022 /nfs/dbraw/zinc/27/60/22/577276022.db2.gz ASYUYPWJGVAKQR-HNNXBMFYSA-N 1 1 346.452 2.785 10 10 EFCEMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768462625 577276023 /nfs/dbraw/zinc/27/60/23/577276023.db2.gz ASYUYPWJGVAKQR-HNNXBMFYSA-N 1 1 346.452 2.785 10 10 EFCEMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768464031 577276054 /nfs/dbraw/zinc/27/60/54/577276054.db2.gz MTBCDYWWTMNZLM-AZUAARDMSA-N 1 1 325.408 2.982 10 10 EFCEMO COc1cccc(O)c1C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000769141896 577338570 /nfs/dbraw/zinc/33/85/70/577338570.db2.gz QNAIUQPVHWDXIS-UHFFFAOYSA-N 1 1 332.444 2.625 10 10 EFCEMO COc1cccc(O)c1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000769314113 577351426 /nfs/dbraw/zinc/35/14/26/577351426.db2.gz DTPFARHWIBOILS-UHFFFAOYSA-N 1 1 333.457 2.565 10 10 EFCEMO CCOc1ccc(C[N@H+]2CCN(CC(F)F)[C@@H](CC)C2)c(O)c1 ZINC000769513731 577368967 /nfs/dbraw/zinc/36/89/67/577368967.db2.gz HTNAGVFICXWQDY-AWEZNQCLSA-N 1 1 328.403 2.952 10 10 EFCEMO Fc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770286539 577410037 /nfs/dbraw/zinc/41/00/37/577410037.db2.gz QQOMALAWEQGNHM-SJLPKXTDSA-N 1 1 334.435 2.663 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+]C3(CCO)CCCCC3)cc2)CC1 ZINC000771844229 581249787 /nfs/dbraw/zinc/24/97/87/581249787.db2.gz RRGMSLHMOSLRGT-UHFFFAOYSA-N 1 1 331.504 2.613 10 10 EFCEMO C[C@@H](NC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773216709 581406270 /nfs/dbraw/zinc/40/62/70/581406270.db2.gz BJJQSKBABKHEBF-JKSUJKDBSA-N 1 1 332.492 2.987 10 10 EFCEMO Cc1cc(CNC(=O)N2CC[NH+](C)CC2)c(C)n1-c1ccccc1 ZINC001687286607 1248198332 /nfs/dbraw/zinc/19/83/32/1248198332.db2.gz NCANRSYGLOOPOX-UHFFFAOYSA-N 1 1 326.444 2.551 10 10 EFCEMO COc1ccc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000850346783 1250441181 /nfs/dbraw/zinc/44/11/81/1250441181.db2.gz JXKKUIHUUQCMHP-MRXNPFEDSA-N 1 1 349.438 2.644 10 10 EFCEMO [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357871 1250448373 /nfs/dbraw/zinc/44/83/73/1250448373.db2.gz WUDFUAZPGWXIPD-SFHVURJKSA-N 1 1 346.858 2.902 10 10 EFCEMO [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357871 1250448378 /nfs/dbraw/zinc/44/83/78/1250448378.db2.gz WUDFUAZPGWXIPD-SFHVURJKSA-N 1 1 346.858 2.902 10 10 EFCEMO C[C@H](O)[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccccc1 ZINC000850419961 1250478830 /nfs/dbraw/zinc/47/88/30/1250478830.db2.gz IXISVGJAAIGRJV-UWJYYQICSA-N 1 1 339.483 2.650 10 10 EFCEMO C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]2CCC[C@@H]21 ZINC000850568067 1250540584 /nfs/dbraw/zinc/54/05/84/1250540584.db2.gz OTYYWCMDVRVIFY-HKBOAZHASA-N 1 1 343.515 2.610 10 10 EFCEMO CN1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H]2CCC[C@@H]21 ZINC000850568067 1250540591 /nfs/dbraw/zinc/54/05/91/1250540591.db2.gz OTYYWCMDVRVIFY-HKBOAZHASA-N 1 1 343.515 2.610 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000922523123 1266196494 /nfs/dbraw/zinc/19/64/94/1266196494.db2.gz IENGQLLHJUSGHU-QWHCGFSZSA-N 1 1 330.856 2.854 10 10 EFCEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584537 1278197784 /nfs/dbraw/zinc/19/77/84/1278197784.db2.gz OJISEOGWCONCOX-DOMZBBRYSA-N 1 1 343.393 2.642 10 10 EFCEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584537 1278197795 /nfs/dbraw/zinc/19/77/95/1278197795.db2.gz OJISEOGWCONCOX-DOMZBBRYSA-N 1 1 343.393 2.642 10 10 EFCEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584540 1278198103 /nfs/dbraw/zinc/19/81/03/1278198103.db2.gz OJISEOGWCONCOX-WFASDCNBSA-N 1 1 343.393 2.642 10 10 EFCEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584540 1278198113 /nfs/dbraw/zinc/19/81/13/1278198113.db2.gz OJISEOGWCONCOX-WFASDCNBSA-N 1 1 343.393 2.642 10 10 EFCEMO CC[N@@H+]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC000715739057 1263905728 /nfs/dbraw/zinc/90/57/28/1263905728.db2.gz WAARYBFVYLSYKA-SNVBAGLBSA-N 1 1 331.229 2.820 10 10 EFCEMO CC[N@H+]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC000715739057 1263905737 /nfs/dbraw/zinc/90/57/37/1263905737.db2.gz WAARYBFVYLSYKA-SNVBAGLBSA-N 1 1 331.229 2.820 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824654314 1278219016 /nfs/dbraw/zinc/21/90/16/1278219016.db2.gz MUCHBPVBXPTYHO-ZBINZKHDSA-N 1 1 329.799 2.547 10 10 EFCEMO CCOc1ccc(O)c(C[NH2+]Cc2nn(C)cc2Br)c1 ZINC000824779712 1278277693 /nfs/dbraw/zinc/27/76/93/1278277693.db2.gz AXCGMTNCWNNTPT-UHFFFAOYSA-N 1 1 340.221 2.577 10 10 EFCEMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCCCC[C@H]3C)CC2)cc1 ZINC000734002050 1266808153 /nfs/dbraw/zinc/80/81/53/1266808153.db2.gz 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CO[C@@H](C)CNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444371562 250293948 /nfs/dbraw/zinc/29/39/48/250293948.db2.gz MKYOXIIRDUUMNX-HNNXBMFYSA-N 1 1 343.471 2.559 10 10 EFCEMO Cc1cnn(C[C@H]2C[N@@H+](Cc3c(O)ccc4ccccc43)CCO2)c1 ZINC000112072154 473241315 /nfs/dbraw/zinc/24/13/15/473241315.db2.gz PJXBYJCQMBVLHH-QGZVFWFLSA-N 1 1 337.423 2.951 10 10 EFCEMO C[NH+]1CCN(c2ccc(CN3CCOc4ccccc43)cc2F)CC1 ZINC000096003679 473252096 /nfs/dbraw/zinc/25/20/96/473252096.db2.gz LJASMCUXXQSROT-UHFFFAOYSA-N 1 1 341.430 2.977 10 10 EFCEMO Cc1ccc([C@H](Cc2ccc(O)c(O)c2)N2CC[NH+](C)CC2)cc1 ZINC000033891115 471987607 /nfs/dbraw/zinc/98/76/07/471987607.db2.gz VKFHISXPCGHDLQ-SFHVURJKSA-N 1 1 326.440 2.937 10 10 EFCEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)cn1 ZINC000128350822 472440168 /nfs/dbraw/zinc/44/01/68/472440168.db2.gz VXLHEAGYYLEQBA-NSHDSACASA-N 1 1 336.233 2.878 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416012 472567287 /nfs/dbraw/zinc/56/72/87/472567287.db2.gz 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ZINC000092094837 472856662 /nfs/dbraw/zinc/85/66/62/472856662.db2.gz GXSJFVLJGLHHHU-CZUORRHYSA-N 1 1 335.350 2.987 10 10 EFCEMO CCn1cc(CN2CCC[N@@H+](Cc3cc(C)c(C)cc3O)CC2)cn1 ZINC000121621580 472882422 /nfs/dbraw/zinc/88/24/22/472882422.db2.gz RKWMPHRMXNIYFA-UHFFFAOYSA-N 1 1 342.487 2.933 10 10 EFCEMO c1cnn(C[C@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)c1 ZINC000122167313 472983451 /nfs/dbraw/zinc/98/34/51/472983451.db2.gz LTZNXOKVQQAPOG-HXUWFJFHSA-N 1 1 340.471 2.774 10 10 EFCEMO c1cnn(C[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)c1 ZINC000122167313 472983459 /nfs/dbraw/zinc/98/34/59/472983459.db2.gz LTZNXOKVQQAPOG-HXUWFJFHSA-N 1 1 340.471 2.774 10 10 EFCEMO c1cnn(C[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)c1 ZINC000122167094 472983915 /nfs/dbraw/zinc/98/39/15/472983915.db2.gz LTZNXOKVQQAPOG-FQEVSTJZSA-N 1 1 340.471 2.774 10 10 EFCEMO c1cnn(C[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCO2)c1 ZINC000122167094 472983919 /nfs/dbraw/zinc/98/39/19/472983919.db2.gz LTZNXOKVQQAPOG-FQEVSTJZSA-N 1 1 340.471 2.774 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000108395034 473024035 /nfs/dbraw/zinc/02/40/35/473024035.db2.gz SVCYASXJMBMBJR-MGNBDDOMSA-N 1 1 334.279 2.662 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@H+](C)[C@H](C)C[S@@](C)=O)c1 ZINC000108395034 473024040 /nfs/dbraw/zinc/02/40/40/473024040.db2.gz SVCYASXJMBMBJR-MGNBDDOMSA-N 1 1 334.279 2.662 10 10 EFCEMO C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@@H+]1C ZINC000093644117 473127334 /nfs/dbraw/zinc/12/73/34/473127334.db2.gz AWPAHHQMUUPKNL-MFKMUULPSA-N 1 1 327.812 2.868 10 10 EFCEMO C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[N@H+]1C ZINC000093644117 473127337 /nfs/dbraw/zinc/12/73/37/473127337.db2.gz AWPAHHQMUUPKNL-MFKMUULPSA-N 1 1 327.812 2.868 10 10 EFCEMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH+]1C ZINC000093644117 473127341 /nfs/dbraw/zinc/12/73/41/473127341.db2.gz AWPAHHQMUUPKNL-MFKMUULPSA-N 1 1 327.812 2.868 10 10 EFCEMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH+]1C ZINC000093644117 473127345 /nfs/dbraw/zinc/12/73/45/473127345.db2.gz AWPAHHQMUUPKNL-MFKMUULPSA-N 1 1 327.812 2.868 10 10 EFCEMO O=C1[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCCN1c1cccnc1 ZINC000191587333 473557568 /nfs/dbraw/zinc/55/75/68/473557568.db2.gz BPYOTVUXZIJMJT-CQSZACIVSA-N 1 1 349.793 2.865 10 10 EFCEMO C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(F)cc1O ZINC000186193787 473613106 /nfs/dbraw/zinc/61/31/06/473613106.db2.gz MUUUWRVNRUJFJM-WBAXXEDZSA-N 1 1 344.430 2.817 10 10 EFCEMO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179466401 473689653 /nfs/dbraw/zinc/68/96/53/473689653.db2.gz BREGTARULVIIMM-MJGOQNOKSA-N 1 1 339.439 2.979 10 10 EFCEMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)n1 ZINC000179559200 473695001 /nfs/dbraw/zinc/69/50/01/473695001.db2.gz VKAFNBFLMRDKHS-INIZCTEOSA-N 1 1 325.412 2.946 10 10 EFCEMO CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2O)c1 ZINC000264587218 474049816 /nfs/dbraw/zinc/04/98/16/474049816.db2.gz FHHCOMYYJDLJOF-ZDUSSCGKSA-N 1 1 341.411 2.810 10 10 EFCEMO COc1cc([N+](=O)[O-])c(N2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000271041414 474380639 /nfs/dbraw/zinc/38/06/39/474380639.db2.gz NBDOAYNGORVTJC-UHFFFAOYSA-N 1 1 332.360 2.719 10 10 EFCEMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C1CCCCC1 ZINC000276476629 474559027 /nfs/dbraw/zinc/55/90/27/474559027.db2.gz ODRGZESDNQSOGJ-FQEVSTJZSA-N 1 1 332.488 2.896 10 10 EFCEMO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267607174 474675882 /nfs/dbraw/zinc/67/58/82/474675882.db2.gz JULQADFEBUNKTG-AQGQNPDFSA-N 1 1 347.415 2.557 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000278555730 474700607 /nfs/dbraw/zinc/70/06/07/474700607.db2.gz AOHFAVDISHUWFG-IUODEOHRSA-N 1 1 346.387 2.589 10 10 EFCEMO COc1c(O)c(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000278555730 474700615 /nfs/dbraw/zinc/70/06/15/474700615.db2.gz 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OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293744001 475050780 /nfs/dbraw/zinc/05/07/80/475050780.db2.gz XKVVRKIOSNTTMU-CJNGLKHVSA-N 1 1 339.794 2.759 10 10 EFCEMO OC[C@H](C[C@H](O)c1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293743997 475050978 /nfs/dbraw/zinc/05/09/78/475050978.db2.gz XKVVRKIOSNTTMU-BBRMVZONSA-N 1 1 339.794 2.759 10 10 EFCEMO COc1cccc([C@@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000268913145 475067793 /nfs/dbraw/zinc/06/77/93/475067793.db2.gz ZMCQBWXJKHYIGZ-IBGZPJMESA-N 1 1 343.379 2.703 10 10 EFCEMO COc1cccc([C@@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCO2)c1 ZINC000268913145 475067804 /nfs/dbraw/zinc/06/78/04/475067804.db2.gz ZMCQBWXJKHYIGZ-IBGZPJMESA-N 1 1 343.379 2.703 10 10 EFCEMO COCc1noc(Cn2c3ccccc3c3c2CC[N@@H+](C(C)C)C3)n1 ZINC000349925484 476020093 /nfs/dbraw/zinc/02/00/93/476020093.db2.gz CQPQFANPAZYZHB-UHFFFAOYSA-N 1 1 340.427 2.986 10 10 EFCEMO CC(=O)c1cc(F)cc(C[NH+]2CCC(Oc3cnccn3)CC2)c1O ZINC000369721394 476493793 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Fc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)ccc1N1CCOCC1 ZINC000770286536 577410059 /nfs/dbraw/zinc/41/00/59/577410059.db2.gz QQOMALAWEQGNHM-FUHWJXTLSA-N 1 1 334.435 2.663 10 10 EFCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000770374334 577413522 /nfs/dbraw/zinc/41/35/22/577413522.db2.gz LTOBTJLPCDLLGF-RTBURBONSA-N 1 1 330.472 2.772 10 10 EFCEMO C[C@H](NC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773216706 581406361 /nfs/dbraw/zinc/40/63/61/581406361.db2.gz BJJQSKBABKHEBF-HOTGVXAUSA-N 1 1 332.492 2.987 10 10 EFCEMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000774681192 581497589 /nfs/dbraw/zinc/49/75/89/581497589.db2.gz ZNGKKHRCUQDICV-MSOLQXFVSA-N 1 1 347.455 2.814 10 10 EFCEMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357771 1250448098 /nfs/dbraw/zinc/44/80/98/1250448098.db2.gz UZQFYQAEFNMBLM-INIZCTEOSA-N 1 1 346.858 2.902 10 10 EFCEMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357771 1250448104 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2.952 10 10 EFCEMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000921566011 1257467211 /nfs/dbraw/zinc/46/72/11/1257467211.db2.gz RLIXWECTYJKJLU-AWEZNQCLSA-N 1 1 337.439 2.699 10 10 EFCEMO C[NH+](C)C[C@@H]1CCCN1Cc1cc(Br)cc(F)c1O ZINC000715738035 1263883165 /nfs/dbraw/zinc/88/31/65/1263883165.db2.gz PVDGJGZBLHIPPQ-LBPRGKRZSA-N 1 1 331.229 2.820 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824653611 1278217091 /nfs/dbraw/zinc/21/70/91/1278217091.db2.gz CNOJZKOGMVYUQJ-GYSYKLTISA-N 1 1 329.799 2.547 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824653611 1278217098 /nfs/dbraw/zinc/21/70/98/1278217098.db2.gz CNOJZKOGMVYUQJ-GYSYKLTISA-N 1 1 329.799 2.547 10 10 EFCEMO CCCN(Cc1cc(Br)cc(F)c1O)[C@H]1CC[NH2+]C1 ZINC000715771154 1264942018 /nfs/dbraw/zinc/94/20/18/1264942018.db2.gz SRLYVIISGOQPMZ-LBPRGKRZSA-N 1 1 331.229 2.868 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000824799784 1278290328 /nfs/dbraw/zinc/29/03/28/1278290328.db2.gz QYPUQGQTUHJULA-SWLSCSKDSA-N 1 1 338.404 2.850 10 10 EFCEMO Oc1cc(Br)ccc1C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000824855423 1278315934 /nfs/dbraw/zinc/31/59/34/1278315934.db2.gz KAWWCVMWHKRDPM-LLVKDONJSA-N 1 1 340.139 2.654 10 10 EFCEMO Oc1cc(Br)ccc1C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000824855423 1278315942 /nfs/dbraw/zinc/31/59/42/1278315942.db2.gz KAWWCVMWHKRDPM-LLVKDONJSA-N 1 1 340.139 2.654 10 10 EFCEMO COc1cccc(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1O ZINC000825117596 1278418317 /nfs/dbraw/zinc/41/83/17/1278418317.db2.gz HXQAOXJTEYCHJN-GFCCVEGCSA-N 1 1 332.366 2.717 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2CCN(CC(F)(F)F)C[C@H](C)C2)c1 ZINC000825124158 1278419945 /nfs/dbraw/zinc/41/99/45/1278419945.db2.gz IXOGEWJXWIGUSY-GFCCVEGCSA-N 1 1 332.366 2.717 10 10 EFCEMO COc1ccc(-n2c(C)cc(C(=O)N3CC[N@H+](C)[C@H](C)C3)c2C)cc1 ZINC000742195676 1269929327 /nfs/dbraw/zinc/92/93/27/1269929327.db2.gz HNFOLPVZYAYHSO-OAHLLOKOSA-N 1 1 341.455 2.879 10 10 EFCEMO COc1ccc(-n2c(C)cc(C(=O)N3CC[N@@H+](C)[C@H](C)C3)c2C)cc1 ZINC000742195676 1269929336 /nfs/dbraw/zinc/92/93/36/1269929336.db2.gz HNFOLPVZYAYHSO-OAHLLOKOSA-N 1 1 341.455 2.879 10 10 EFCEMO Oc1cccc(Br)c1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000707172216 1275376313 /nfs/dbraw/zinc/37/63/13/1275376313.db2.gz UUJQPFXAYGYTDS-GFCCVEGCSA-N 1 1 325.250 2.825 10 10 EFCEMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)[C@H]1C ZINC000787420952 1275770720 /nfs/dbraw/zinc/77/07/20/1275770720.db2.gz NJASYTGQRPQJRX-CMPLNLGQSA-N 1 1 342.233 2.847 10 10 EFCEMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)[C@H]1C ZINC000787420952 1275770725 /nfs/dbraw/zinc/77/07/25/1275770725.db2.gz NJASYTGQRPQJRX-CMPLNLGQSA-N 1 1 342.233 2.847 10 10 EFCEMO COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@@H]1CCCO1 ZINC000788533002 1276223089 /nfs/dbraw/zinc/22/30/89/1276223089.db2.gz BWCNQCFOGKBERL-KBPBESRZSA-N 1 1 344.249 2.747 10 10 EFCEMO N[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903116 1276367739 /nfs/dbraw/zinc/36/77/39/1276367739.db2.gz ICEWUWGNVHMRLN-CVEARBPZSA-N 1 1 325.403 2.726 10 10 EFCEMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001136259104 1276895923 /nfs/dbraw/zinc/89/59/23/1276895923.db2.gz OQCCXPNVJHYORX-OKILXGFUSA-N 1 1 345.447 2.947 10 10 EFCEMO CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000819755272 1276910949 /nfs/dbraw/zinc/91/09/49/1276910949.db2.gz FIXSLMGLYKEJLQ-OAHLLOKOSA-N 1 1 337.460 2.901 10 10 EFCEMO Cc1cc(Cl)cc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000789765394 1276973194 /nfs/dbraw/zinc/97/31/94/1276973194.db2.gz OVFRINJQATVDLT-OKILXGFUSA-N 1 1 326.868 2.895 10 10 EFCEMO COc1cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c(O)cc1C ZINC000790462581 1277547574 /nfs/dbraw/zinc/54/75/74/1277547574.db2.gz WMOIZCUZYCKSJC-SFHVURJKSA-N 1 1 343.423 2.989 10 10 EFCEMO COc1cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c(O)cc1C ZINC000790462581 1277547583 /nfs/dbraw/zinc/54/75/83/1277547583.db2.gz WMOIZCUZYCKSJC-SFHVURJKSA-N 1 1 343.423 2.989 10 10 EFCEMO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1O ZINC000790467291 1277610324 /nfs/dbraw/zinc/61/03/24/1277610324.db2.gz NYLIYPBBTZCIII-GOSISDBHSA-N 1 1 343.423 2.989 10 10 EFCEMO COc1cc(C)cc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1O ZINC000790467291 1277610336 /nfs/dbraw/zinc/61/03/36/1277610336.db2.gz NYLIYPBBTZCIII-GOSISDBHSA-N 1 1 343.423 2.989 10 10 EFCEMO Cc1cc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)ccc1N(C)C ZINC000815121909 1287315585 /nfs/dbraw/zinc/31/55/85/1287315585.db2.gz ZTIIGNYBBLCSDV-QGZVFWFLSA-N 1 1 338.517 2.850 10 10 EFCEMO Cc1cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)ccc1N(C)C ZINC000815104058 1287325117 /nfs/dbraw/zinc/32/51/17/1287325117.db2.gz XWWWWXYNAKMRAL-UHFFFAOYSA-N 1 1 339.487 2.952 10 10 EFCEMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790944 1279153836 /nfs/dbraw/zinc/15/38/36/1279153836.db2.gz VMBMIWVVBRUFOD-DGCLKSJQSA-N 1 1 343.393 2.857 10 10 EFCEMO CC(C)C[N@@H+](C)CCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845314372 1279571137 /nfs/dbraw/zinc/57/11/37/1279571137.db2.gz CCYGRCOBUKNOQE-UHFFFAOYSA-N 1 1 327.856 2.823 10 10 EFCEMO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]1n1cccn1 ZINC000815166307 1287361223 /nfs/dbraw/zinc/36/12/23/1287361223.db2.gz AHUPWXMXGQWKIX-XNRPHZJLSA-N 1 1 339.798 2.890 10 10 EFCEMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3cc(OC)cc(C(C)(C)C)c3O)C[C@@H]21 ZINC000793642159 1279786417 /nfs/dbraw/zinc/78/64/17/1279786417.db2.gz FSRAERFWTXVAON-FOLVSLTJSA-N 1 1 333.428 2.549 10 10 EFCEMO COCC[N@H+]1CCN(C/C=C/c2ccc(N(C)C)cc2)C(C)(C)C1 ZINC000846103378 1280035439 /nfs/dbraw/zinc/03/54/39/1280035439.db2.gz OYBPKNFNAVCUJM-VOTSOKGWSA-N 1 1 331.504 2.808 10 10 EFCEMO COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC001144879674 1280348397 /nfs/dbraw/zinc/34/83/97/1280348397.db2.gz UFNGPAOYKAYIOB-IBGZPJMESA-N 1 1 345.487 2.607 10 10 EFCEMO CC[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1O ZINC000872120102 1287435107 /nfs/dbraw/zinc/43/51/07/1287435107.db2.gz YWUHQZMISLEOTM-ZBVLDHOZSA-N 1 1 341.448 2.928 10 10 EFCEMO Fc1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)ccc1N1CCOCC1 ZINC000872254829 1287504322 /nfs/dbraw/zinc/50/43/22/1287504322.db2.gz DHKGPKYLHWIOEK-INIZCTEOSA-N 1 1 344.377 2.518 10 10 EFCEMO Fc1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)ccc1N1CCOCC1 ZINC000872254829 1287504325 /nfs/dbraw/zinc/50/43/25/1287504325.db2.gz DHKGPKYLHWIOEK-INIZCTEOSA-N 1 1 344.377 2.518 10 10 EFCEMO Cn1ncc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC000808417217 1281707785 /nfs/dbraw/zinc/70/77/85/1281707785.db2.gz DSTNEQMIEASBBN-UHFFFAOYSA-N 1 1 333.439 2.668 10 10 EFCEMO CC(C)(C)n1cc(C[NH2+]Cc2cc(Br)ccc2O)nn1 ZINC000809713171 1282422896 /nfs/dbraw/zinc/42/28/96/1282422896.db2.gz KPDQLALSNZDXPR-UHFFFAOYSA-N 1 1 339.237 2.791 10 10 EFCEMO Cc1cc(Cl)cc(C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737333 1282437631 /nfs/dbraw/zinc/43/76/31/1282437631.db2.gz FPJKCOZHIMNGFR-INIZCTEOSA-N 1 1 326.868 2.897 10 10 EFCEMO Cc1cc(Cl)cc(C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1O ZINC000809737333 1282437634 /nfs/dbraw/zinc/43/76/34/1282437634.db2.gz FPJKCOZHIMNGFR-INIZCTEOSA-N 1 1 326.868 2.897 10 10 EFCEMO Cc1c[nH]nc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000810152036 1282977007 /nfs/dbraw/zinc/97/70/07/1282977007.db2.gz KUADJDABUDDDPS-UHFFFAOYSA-N 1 1 339.487 2.540 10 10 EFCEMO CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813032935 1285598755 /nfs/dbraw/zinc/59/87/55/1285598755.db2.gz XTRNISZVFKKYSR-LJQANCHMSA-N 1 1 349.450 2.691 10 10 EFCEMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667913 1288250202 /nfs/dbraw/zinc/25/02/02/1288250202.db2.gz ZMXRHAPYLOLNQE-HXUWFJFHSA-N 1 1 330.472 2.914 10 10 EFCEMO C[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[NH+]1CCSCC1 ZINC001135800890 1288393035 /nfs/dbraw/zinc/39/30/35/1288393035.db2.gz ULALERMJHHVPMK-INIZCTEOSA-N 1 1 347.528 2.683 10 10 EFCEMO CCN(CC)c1ccc(CNC(=O)CC[N@H+]2CC[C@@H](F)C2)cc1F ZINC001136730560 1289323382 /nfs/dbraw/zinc/32/33/82/1289323382.db2.gz UIOAVIQGBKKFJC-OAHLLOKOSA-N 1 1 339.430 2.722 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1Cl ZINC000826043018 1291687095 /nfs/dbraw/zinc/68/70/95/1291687095.db2.gz CSVYNJBWZGSLMR-BJJXKVORSA-N 1 1 325.836 2.716 10 10 EFCEMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165877 1292486641 /nfs/dbraw/zinc/48/66/41/1292486641.db2.gz YWZYXLHZOTYIHF-ZWKOTPCHSA-N 1 1 347.503 2.504 10 10 EFCEMO [NH3+][C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@@H]1C(F)(F)F ZINC000903983873 1313535934 /nfs/dbraw/zinc/53/59/34/1313535934.db2.gz MYFPWYMJYPGLHO-ONGXEEELSA-N 1 1 326.721 2.896 10 10 EFCEMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3ccco3)CC2)cc1 ZINC000852325051 1299659139 /nfs/dbraw/zinc/65/91/39/1299659139.db2.gz XIVTUZZKGGTQIH-UHFFFAOYSA-N 1 1 341.455 2.841 10 10 EFCEMO CN(C)c1ccc(CN(C)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000852412278 1299695056 /nfs/dbraw/zinc/69/50/56/1299695056.db2.gz PCMCPQBOAKSWNA-QGZVFWFLSA-N 1 1 332.492 2.767 10 10 EFCEMO Cc1cc(C(=O)C[N@@H+]2CCC3(COC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000852683658 1299811807 /nfs/dbraw/zinc/81/18/07/1299811807.db2.gz OOXZUVHWZPHIOV-UHFFFAOYSA-N 1 1 343.402 2.533 10 10 EFCEMO Cc1cc(C(=O)C[N@H+]2CCC3(COC3)C2)c(C)n1-c1ccc(F)cn1 ZINC000852683658 1299811819 /nfs/dbraw/zinc/81/18/19/1299811819.db2.gz OOXZUVHWZPHIOV-UHFFFAOYSA-N 1 1 343.402 2.533 10 10 EFCEMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC3=C(CCC(=O)N3)C2)c1 ZINC000853521376 1300146258 /nfs/dbraw/zinc/14/62/58/1300146258.db2.gz ZXQBAQLXCJPVCU-UHFFFAOYSA-N 1 1 330.428 2.765 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1O ZINC000853566210 1300170493 /nfs/dbraw/zinc/17/04/93/1300170493.db2.gz NBRAWLNCHIWSML-JLTOFOAXSA-N 1 1 341.407 2.800 10 10 EFCEMO NC(=O)c1cccc2c1CC[N@@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000853622181 1300198056 /nfs/dbraw/zinc/19/80/56/1300198056.db2.gz SXCPATAOAWVONF-UHFFFAOYSA-N 1 1 336.435 2.928 10 10 EFCEMO COc1cc(O)c(C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000853632310 1300204348 /nfs/dbraw/zinc/20/43/48/1300204348.db2.gz UMLZVKKPRRLPHO-QLJPJBMISA-N 1 1 331.359 2.654 10 10 EFCEMO COc1cc(O)c(C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1OC ZINC000853632310 1300204360 /nfs/dbraw/zinc/20/43/60/1300204360.db2.gz UMLZVKKPRRLPHO-QLJPJBMISA-N 1 1 331.359 2.654 10 10 EFCEMO CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000853776662 1300272959 /nfs/dbraw/zinc/27/29/59/1300272959.db2.gz UKGYIQUZVXYJJS-UHFFFAOYSA-N 1 1 344.503 2.982 10 10 EFCEMO CCN(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC000854176191 1300461527 /nfs/dbraw/zinc/46/15/27/1300461527.db2.gz BZOIDEWWQQVKAW-APWZRJJASA-N 1 1 346.519 2.728 10 10 EFCEMO CCN(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)[C@H]1CC[N@@H+](C)C1 ZINC000854176195 1300462283 /nfs/dbraw/zinc/46/22/83/1300462283.db2.gz BZOIDEWWQQVKAW-LPHOPBHVSA-N 1 1 346.519 2.728 10 10 EFCEMO COc1ccc(N2CC[C@H]([NH2+][C@H](Cc3ccccc3)[C@@H](C)N)C2)cc1 ZINC000854218410 1300474331 /nfs/dbraw/zinc/47/43/31/1300474331.db2.gz WXRXGNWPJJRKLJ-PLMTUMEDSA-N 1 1 339.483 2.822 10 10 EFCEMO COc1ccc(N2CC[C@H]([NH2+][C@@H](Cc3ccccc3)[C@@H](C)N)C2)cc1 ZINC000854218409 1300474851 /nfs/dbraw/zinc/47/48/51/1300474851.db2.gz WXRXGNWPJJRKLJ-MMOPVJDHSA-N 1 1 339.483 2.822 10 10 EFCEMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(C(=O)OC)cn2)cc1 ZINC000859333105 1301436457 /nfs/dbraw/zinc/43/64/57/1301436457.db2.gz WMSGSWSIECDZBK-UHFFFAOYSA-N 1 1 327.428 2.956 10 10 EFCEMO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000859362239 1301442966 /nfs/dbraw/zinc/44/29/66/1301442966.db2.gz SXSOFRKEOLDYHT-IBGZPJMESA-N 1 1 339.439 2.731 10 10 EFCEMO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189330 1301735308 /nfs/dbraw/zinc/73/53/08/1301735308.db2.gz SCQOQSMVRJMQSV-PTEHBNRSSA-N 1 1 337.391 2.896 10 10 EFCEMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cc(F)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000860189330 1301735314 /nfs/dbraw/zinc/73/53/14/1301735314.db2.gz SCQOQSMVRJMQSV-PTEHBNRSSA-N 1 1 337.391 2.896 10 10 EFCEMO Cc1cc(C(=O)N2CC[NH+](CCCF)CC2)c(C)n1-c1ccccn1 ZINC000862112004 1302287226 /nfs/dbraw/zinc/28/72/26/1302287226.db2.gz WXNVINPZXCZLPP-UHFFFAOYSA-N 1 1 344.434 2.607 10 10 EFCEMO CC(C)[N@H+](Cc1c(O)cccc1Br)C[C@H]1CCC(=O)N1 ZINC000862395287 1302367388 /nfs/dbraw/zinc/36/73/88/1302367388.db2.gz ZCRCRHNZEUKCAK-LLVKDONJSA-N 1 1 341.249 2.644 10 10 EFCEMO CN(C)c1cc(F)c(C[NH2+][C@](C)(CO)c2cccc(O)c2)cc1F ZINC000862432632 1302382421 /nfs/dbraw/zinc/38/24/21/1302382421.db2.gz LLOYWEWKYAFPAC-GOSISDBHSA-N 1 1 336.382 2.734 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H]2COc3cccc(C)c3C2)ccc1[N+](=O)[O-] ZINC000862441608 1302385949 /nfs/dbraw/zinc/38/59/49/1302385949.db2.gz WQIIIWHSWUXHMW-ZDUSSCGKSA-N 1 1 344.367 2.711 10 10 EFCEMO CC[C@@H]1[C@@H](C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC[N@H+]1C ZINC000865116419 1303167918 /nfs/dbraw/zinc/16/79/18/1303167918.db2.gz VTBZYUSPMVYFSE-RBUKOAKNSA-N 1 1 345.487 2.511 10 10 EFCEMO CN(C)c1ccc(C=CC[NH2+]Cc2nnc(C3CCOCC3)[nH]2)cc1 ZINC000865686837 1303366692 /nfs/dbraw/zinc/36/66/92/1303366692.db2.gz TVFUWGMJLAMQIY-ONEGZZNKSA-N 1 1 341.459 2.568 10 10 EFCEMO Cc1cc(C(=O)CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC000794954170 1303806677 /nfs/dbraw/zinc/80/66/77/1303806677.db2.gz MOPOKQVBTOHVLK-XLIONFOSSA-N 1 1 337.467 2.913 10 10 EFCEMO CN1CCCc2cc(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)ccc21 ZINC000900434172 1308160410 /nfs/dbraw/zinc/16/04/10/1308160410.db2.gz XEJNNZQQITVEFI-MJGOQNOKSA-N 1 1 327.472 2.702 10 10 EFCEMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000901133791 1309569606 /nfs/dbraw/zinc/56/96/06/1309569606.db2.gz DXJRGYFPFKCTRS-AAEUAGOBSA-N 1 1 346.452 2.869 10 10 EFCEMO COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)c2[nH]ncc2F)cc1C ZINC001277290452 1311932620 /nfs/dbraw/zinc/93/26/20/1311932620.db2.gz JRDQLTQLMVOLRX-ZDUSSCGKSA-N 1 1 348.422 2.554 10 10 EFCEMO C[C@H]([NH2+]CC1CCC(S(C)(=O)=O)CC1)c1c(O)cccc1F ZINC000903149809 1312411471 /nfs/dbraw/zinc/41/14/71/1312411471.db2.gz JPEBGAUMHXYREA-HIFPTAJRSA-N 1 1 329.437 2.785 10 10 EFCEMO C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301401 1312551725 /nfs/dbraw/zinc/55/17/25/1312551725.db2.gz QNPHXWJKJYJJPG-IYOUNJFTSA-N 1 1 337.895 2.920 10 10 EFCEMO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301401 1312551728 /nfs/dbraw/zinc/55/17/28/1312551728.db2.gz QNPHXWJKJYJJPG-IYOUNJFTSA-N 1 1 337.895 2.920 10 10 EFCEMO C[NH+](C)[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001299721630 1316378094 /nfs/dbraw/zinc/37/80/94/1316378094.db2.gz NNSRLUPESGMYCI-SFHVURJKSA-N 1 1 335.407 2.860 10 10 EFCEMO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC2C[NH+](C(C)C)C2)c1 ZINC001296600261 1322952079 /nfs/dbraw/zinc/95/20/79/1322952079.db2.gz IEPJZJBOMYNJMX-UHFFFAOYSA-N 1 1 339.439 2.729 10 10 EFCEMO CCc1nnc(N(C)Cc2ccccc2O)n1CC[N@H+]1CCC[C@H]1C ZINC001306080337 1324697731 /nfs/dbraw/zinc/69/77/31/1324697731.db2.gz JWFRPMGXPHARJW-OAHLLOKOSA-N 1 1 343.475 2.667 10 10 EFCEMO Cc1cc(C[N@H+]2C[C@@H](CO)OC(C)(C)C2)ccc1N1CCCCC1 ZINC001307856768 1324783703 /nfs/dbraw/zinc/78/37/03/1324783703.db2.gz KQGGKWMFFPICGG-SFHVURJKSA-N 1 1 332.488 2.957 10 10 EFCEMO Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001308022496 1324790030 /nfs/dbraw/zinc/79/00/30/1324790030.db2.gz NIFRHRPJSJEFHE-INIZCTEOSA-N 1 1 343.393 2.704 10 10 EFCEMO Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001308022496 1324790034 /nfs/dbraw/zinc/79/00/34/1324790034.db2.gz NIFRHRPJSJEFHE-INIZCTEOSA-N 1 1 343.393 2.704 10 10 EFCEMO Cc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)ccc1N1CCCCC1 ZINC001308056650 1324791471 /nfs/dbraw/zinc/79/14/71/1324791471.db2.gz MCRBJAQWPYBYPD-VQTJNVASSA-N 1 1 343.515 2.626 10 10 EFCEMO C[N@H+](C/C=C/Cl)CCCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001316866992 1324994290 /nfs/dbraw/zinc/99/42/90/1324994290.db2.gz FSRGTAIFWJXNKG-JECIBBIKSA-N 1 1 337.811 2.653 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3CCO)cc2F)CC1 ZINC001322316260 1329446478 /nfs/dbraw/zinc/44/64/78/1329446478.db2.gz WHQJZPFDLANSOY-SFHVURJKSA-N 1 1 349.494 2.705 10 10 EFCEMO C[NH+]1CCN(c2ccc(CN[C@H]3CCCC3(F)F)cc2F)CC1 ZINC001323456856 1329544571 /nfs/dbraw/zinc/54/45/71/1329544571.db2.gz YGGGGPOFQFSVPU-INIZCTEOSA-N 1 1 327.394 2.855 10 10 EFCEMO Oc1cc(Br)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001327816479 1330518353 /nfs/dbraw/zinc/51/83/53/1330518353.db2.gz TZNVZBHHDSORIG-ODOQXGPZSA-N 1 1 326.234 2.748 10 10 EFCEMO CN(C)c1ccc(/C=C\C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC001333735017 1331204524 /nfs/dbraw/zinc/20/45/24/1331204524.db2.gz VSDBHGAWRMGHEL-LLHWWHOWSA-N 1 1 330.472 2.629 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736162 1331205228 /nfs/dbraw/zinc/20/52/28/1331205228.db2.gz RCITUXOIFNTJDJ-XLIONFOSSA-N 1 1 347.478 2.578 10 10 EFCEMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001346792959 1332689682 /nfs/dbraw/zinc/68/96/82/1332689682.db2.gz URUXSORFJTVLRN-BHYGNILZSA-N 1 1 331.460 2.654 10 10 EFCEMO C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCSc3nccs3)C[N@H+]2C1 ZINC001347650175 1332763151 /nfs/dbraw/zinc/76/31/51/1332763151.db2.gz KIHQOAJPQGBUQV-MGPQQGTHSA-N 1 1 339.530 2.862 10 10 EFCEMO C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCSc3nccs3)C[N@H+]2C1 ZINC001347650174 1332763389 /nfs/dbraw/zinc/76/33/89/1332763389.db2.gz KIHQOAJPQGBUQV-MCIONIFRSA-N 1 1 339.530 2.862 10 10 EFCEMO CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001349507180 1332962710 /nfs/dbraw/zinc/96/27/10/1332962710.db2.gz NZQAUSBAVKEAIL-YTQUADARSA-N 1 1 344.503 2.624 10 10 EFCEMO COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C)[nH+]c(C)c3)C2)cc1 ZINC001350551950 1333095992 /nfs/dbraw/zinc/09/59/92/1333095992.db2.gz BOFAZHPQBYUPTM-OAHLLOKOSA-N 1 1 340.427 2.529 10 10 EFCEMO c1cc(N2CCCC2)ccc1C[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001351783397 1333286654 /nfs/dbraw/zinc/28/66/54/1333286654.db2.gz MBPKFGRPHGSDKG-UHFFFAOYSA-N 1 1 341.459 2.589 10 10 EFCEMO C[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CC[N@H+]1C1CCCC1 ZINC001352970927 1333839044 /nfs/dbraw/zinc/83/90/44/1333839044.db2.gz UONXZZLVAUDTST-ZDUSSCGKSA-N 1 1 343.431 2.938 10 10 EFCEMO CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001300633412 1334344171 /nfs/dbraw/zinc/34/41/71/1334344171.db2.gz IPNPKPVYZQOZCY-QGZVFWFLSA-N 1 1 347.503 2.902 10 10 EFCEMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCCCO1 ZINC000848575513 1334802552 /nfs/dbraw/zinc/80/25/52/1334802552.db2.gz RSHFOBOPVPKSSP-WOJBJXKFSA-N 1 1 331.504 2.876 10 10 EFCEMO CCc1cccc(C[N@@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1O ZINC000848914967 1334982960 /nfs/dbraw/zinc/98/29/60/1334982960.db2.gz PQVPGQGECXCEPX-ZDUSSCGKSA-N 1 1 345.468 2.758 10 10 EFCEMO CCc1cccc(C[N@H+]2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1O ZINC000848914967 1334982962 /nfs/dbraw/zinc/98/29/62/1334982962.db2.gz PQVPGQGECXCEPX-ZDUSSCGKSA-N 1 1 345.468 2.758 10 10 EFCEMO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000848926751 1334991529 /nfs/dbraw/zinc/99/15/29/1334991529.db2.gz XXQLFEIGQLKAEM-LBPRGKRZSA-N 1 1 326.393 2.850 10 10 EFCEMO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cccc(OC)c2O)cc1 ZINC000849350051 1335596466 /nfs/dbraw/zinc/59/64/66/1335596466.db2.gz OGDHYUQOYXKNOG-ROUUACIJSA-N 1 1 342.439 2.645 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H]2CCc3cc(N)ccc32)ccc1[N+](=O)[O-] ZINC000849351906 1335596859 /nfs/dbraw/zinc/59/68/59/1335596859.db2.gz FHZJQUTXGICWID-AWEZNQCLSA-N 1 1 329.356 2.668 10 10 EFCEMO O=C(NCc1cc(O)ccc1O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001455355178 1394593427 /nfs/dbraw/zinc/59/34/27/1394593427.db2.gz APBYSMZQXZNBRT-INIZCTEOSA-N 1 1 340.423 2.626 10 10 EFCEMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCC[C@@H]1O ZINC001459689744 1395976396 /nfs/dbraw/zinc/97/63/96/1395976396.db2.gz XXSCMZBTPJLNKM-DOMZBBRYSA-N 1 1 341.835 2.572 10 10 EFCEMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCCC[C@@H]1O ZINC001459689744 1395976402 /nfs/dbraw/zinc/97/64/02/1395976402.db2.gz XXSCMZBTPJLNKM-DOMZBBRYSA-N 1 1 341.835 2.572 10 10 EFCEMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCC[C@H]1O ZINC001459689747 1395976447 /nfs/dbraw/zinc/97/64/47/1395976447.db2.gz XXSCMZBTPJLNKM-SWLSCSKDSA-N 1 1 341.835 2.572 10 10 EFCEMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCCC[C@H]1O ZINC001459689747 1395976451 /nfs/dbraw/zinc/97/64/51/1395976451.db2.gz XXSCMZBTPJLNKM-SWLSCSKDSA-N 1 1 341.835 2.572 10 10 EFCEMO CC[C@@H](C)C[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001496842753 1401031752 /nfs/dbraw/zinc/03/17/52/1401031752.db2.gz AGQOBSCPCZLULL-CYBMUJFWSA-N 1 1 333.436 2.899 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001557290284 1415117989 /nfs/dbraw/zinc/11/79/89/1415117989.db2.gz YKKIXYWBZVWDFN-GJZGRUSLSA-N 1 1 329.404 2.596 10 10 EFCEMO Cc1c(C(=O)NCc2cccc(Cl)c2O)cnn1-c1cc[nH+]cc1 ZINC001558757044 1415199754 /nfs/dbraw/zinc/19/97/54/1415199754.db2.gz MPZBVVBVHPXPDZ-UHFFFAOYSA-N 1 1 342.786 2.865 10 10 EFCEMO CC(C)C[C@H]1CN(C)CC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC001560170735 1415265778 /nfs/dbraw/zinc/26/57/78/1415265778.db2.gz KXAYLRYIHBZMCI-FQEVSTJZSA-N 1 1 331.504 2.685 10 10 EFCEMO CC(C)C[C@H]1C[N@H+](C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001560170735 1415265782 /nfs/dbraw/zinc/26/57/82/1415265782.db2.gz KXAYLRYIHBZMCI-FQEVSTJZSA-N 1 1 331.504 2.685 10 10 EFCEMO CC(C)C[C@H]1C[N@@H+](C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001560170735 1415265789 /nfs/dbraw/zinc/26/57/89/1415265789.db2.gz KXAYLRYIHBZMCI-FQEVSTJZSA-N 1 1 331.504 2.685 10 10 EFCEMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001686826516 1416810880 /nfs/dbraw/zinc/81/08/80/1416810880.db2.gz KDRBAAWSXPVBGG-ZACQAIPSSA-N 1 1 346.519 2.726 10 10 EFCEMO COc1ccc(C[NH2+][C@H](C)CCNC(=O)c2[nH]nc(C)c2C)cc1C ZINC001690836183 1417243483 /nfs/dbraw/zinc/24/34/83/1417243483.db2.gz XBVPWQIUMLLKIK-CYBMUJFWSA-N 1 1 344.459 2.642 10 10 EFCEMO C[C@@H](F)CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001716508032 1418903291 /nfs/dbraw/zinc/90/32/91/1418903291.db2.gz IGDCJXSJBMVDJF-VXGBXAGGSA-N 1 1 337.399 2.647 10 10 EFCEMO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2[nH]nc(C)c2C)cc1C ZINC001717402952 1419380302 /nfs/dbraw/zinc/38/03/02/1419380302.db2.gz MUBXHEDJCCCKEH-GJZGRUSLSA-N 1 1 344.459 2.640 10 10 EFCEMO Cc1nnc(N(C)Cc2ccccc2O)n1CCCn1cc[nH+]c1C ZINC001725693905 1425785314 /nfs/dbraw/zinc/78/53/14/1425785314.db2.gz XWHGPNBCPVESGB-UHFFFAOYSA-N 1 1 340.431 2.524 10 10 EFCEMO COc1cc(C[N@H+]2CCC[C@@H](Cn3nc(C)nc3C)C2)c(O)cc1C ZINC000160260223 713161957 /nfs/dbraw/zinc/16/19/57/713161957.db2.gz XQCKPHFTXCYBHH-MRXNPFEDSA-N 1 1 344.459 2.830 10 10 EFCEMO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000047144607 714088446 /nfs/dbraw/zinc/08/84/46/714088446.db2.gz HVCLFQQQBJXRNJ-CQSZACIVSA-N 1 1 340.427 2.855 10 10 EFCEMO COC(=O)c1c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274302 723967687 /nfs/dbraw/zinc/96/76/87/723967687.db2.gz HXJBYHMRDOCLKF-BUXKBTBVSA-N 1 1 346.402 2.572 10 10 EFCEMO C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[N@H+]1C ZINC000917524130 728750700 /nfs/dbraw/zinc/75/07/00/728750700.db2.gz WNTAAWAOZLXNGG-LPHOPBHVSA-N 1 1 344.503 2.815 10 10 EFCEMO C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[N@H+]1C ZINC000917524132 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COc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1O ZINC000190491222 473295071 /nfs/dbraw/zinc/29/50/71/473295071.db2.gz IOIUZEUEUUIENU-KRWDZBQOSA-N 1 1 341.455 2.750 10 10 EFCEMO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)n1-c1ccccn1 ZINC000113226188 473369858 /nfs/dbraw/zinc/36/98/58/473369858.db2.gz XESLRRNNUDETRG-RDJZCZTQSA-N 1 1 338.455 2.798 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000014185873 471858599 /nfs/dbraw/zinc/85/85/99/471858599.db2.gz BVFMMYDWYOTABL-BETUJISGSA-N 1 1 329.396 2.941 10 10 EFCEMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000120307513 472666394 /nfs/dbraw/zinc/66/63/94/472666394.db2.gz ZIJNMAMUZYJPOA-CRAIPNDOSA-N 1 1 332.492 2.624 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)c1 ZINC000092076106 472854467 /nfs/dbraw/zinc/85/44/67/472854467.db2.gz YDHBNVJSRAEDOC-SFHVURJKSA-N 1 1 340.423 2.854 10 10 EFCEMO Cc1occc1C(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000064537244 472861475 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Cc1ccc([C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)o1 ZINC000093864808 473154521 /nfs/dbraw/zinc/15/45/21/473154521.db2.gz MEXUEDOTHZQNIH-HXUWFJFHSA-N 1 1 342.439 2.998 10 10 EFCEMO Cc1ccc([C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)o1 ZINC000093864808 473154526 /nfs/dbraw/zinc/15/45/26/473154526.db2.gz MEXUEDOTHZQNIH-HXUWFJFHSA-N 1 1 342.439 2.998 10 10 EFCEMO c1cc(O[C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ccn1 ZINC000093865923 473156129 /nfs/dbraw/zinc/15/61/29/473156129.db2.gz VPEFISKLEJUSKI-HXUWFJFHSA-N 1 1 339.439 2.572 10 10 EFCEMO C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2[O-])CC1 ZINC000180094416 473796380 /nfs/dbraw/zinc/79/63/80/473796380.db2.gz QOLJFNUMYKINEX-CYBMUJFWSA-N 1 1 326.868 2.570 10 10 EFCEMO CC(C)C(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000264779393 474125447 /nfs/dbraw/zinc/12/54/47/474125447.db2.gz MPVATVZFAMPESN-UHFFFAOYSA-N 1 1 329.488 2.977 10 10 EFCEMO COC(=O)/C=C/c1ccc(N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266287740 474428865 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O=C([C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1)N1CCCC1 ZINC000293901349 475058601 /nfs/dbraw/zinc/05/86/01/475058601.db2.gz LAWKIMNKVYQEFF-NSHDSACASA-N 1 1 326.799 2.629 10 10 EFCEMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1 ZINC000294677535 475078164 /nfs/dbraw/zinc/07/81/64/475078164.db2.gz BIMYBTMZLAJEDU-QGZVFWFLSA-N 1 1 332.469 2.578 10 10 EFCEMO CCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294836985 475085522 /nfs/dbraw/zinc/08/55/22/475085522.db2.gz HQCZYWGALGWKHD-UHFFFAOYSA-N 1 1 328.815 2.923 10 10 EFCEMO c1cc([C@H]2CCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)ncn1 ZINC000362622666 476331025 /nfs/dbraw/zinc/33/10/25/476331025.db2.gz OMYXVNCPKFJQBZ-SFHVURJKSA-N 1 1 338.455 2.693 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000373907263 476439209 /nfs/dbraw/zinc/43/92/09/476439209.db2.gz FIMNSWHNUBMEEG-CQSZACIVSA-N 1 1 343.383 2.769 10 10 EFCEMO COc1c(O)c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000373907263 476439217 /nfs/dbraw/zinc/43/92/17/476439217.db2.gz FIMNSWHNUBMEEG-CQSZACIVSA-N 1 1 343.383 2.769 10 10 EFCEMO CCOc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1O ZINC000373975128 476446045 /nfs/dbraw/zinc/44/60/45/476446045.db2.gz GLXXOIZHTZHXDU-YZVOILCLSA-N 1 1 335.444 2.949 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1 ZINC000377684825 476519807 /nfs/dbraw/zinc/51/98/07/476519807.db2.gz YGOWAENZLSLMFK-MRXNPFEDSA-N 1 1 332.400 2.797 10 10 EFCEMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1O ZINC000368038811 477780924 /nfs/dbraw/zinc/78/09/24/477780924.db2.gz DHLNSQYERXRDNW-GFCCVEGCSA-N 1 1 332.835 2.936 10 10 EFCEMO COc1cccc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000368051859 477781634 /nfs/dbraw/zinc/78/16/34/477781634.db2.gz QPNDOEGBODOBCW-HNNXBMFYSA-N 1 1 332.400 2.797 10 10 EFCEMO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086307 477783936 /nfs/dbraw/zinc/78/39/36/477783936.db2.gz PCFUHTDWWWOJIL-JKSUJKDBSA-N 1 1 344.386 2.721 10 10 EFCEMO Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086307 477783939 /nfs/dbraw/zinc/78/39/39/477783939.db2.gz PCFUHTDWWWOJIL-JKSUJKDBSA-N 1 1 344.386 2.721 10 10 EFCEMO CCCN(CCC)c1ccc(C[NH2+]Cc2nnc3n2CCOC3)cc1 ZINC000372774023 477813923 /nfs/dbraw/zinc/81/39/23/477813923.db2.gz YFYSPHKOIJXWCU-UHFFFAOYSA-N 1 1 343.475 2.725 10 10 EFCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ncccn2)C1 ZINC000580395933 478361790 /nfs/dbraw/zinc/36/17/90/478361790.db2.gz FCFHPLJAPXUKOQ-UHFFFAOYSA-N 1 1 349.438 2.837 10 10 EFCEMO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529350672 479133696 /nfs/dbraw/zinc/13/36/96/479133696.db2.gz LDDFUTDYOPCKTD-GFCCVEGCSA-N 1 1 344.242 2.783 10 10 EFCEMO Cc1ccc(O)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000160175341 534193612 /nfs/dbraw/zinc/19/36/12/534193612.db2.gz BYTVHRAHXHRFPL-INIZCTEOSA-N 1 1 328.412 2.982 10 10 EFCEMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000129688753 528421480 /nfs/dbraw/zinc/42/14/80/528421480.db2.gz 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CCC[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000109442405 1248088657 /nfs/dbraw/zinc/08/86/57/1248088657.db2.gz AWTVGKCSCMAPIR-IBGZPJMESA-N 1 1 345.487 2.608 10 10 EFCEMO CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000109442403 1248088842 /nfs/dbraw/zinc/08/88/42/1248088842.db2.gz AWTVGKCSCMAPIR-LJQANCHMSA-N 1 1 345.487 2.608 10 10 EFCEMO COc1ccc(N2CC[C@@H]([NH2+]Cc3cnn(-c4ccccc4)n3)C2)cc1 ZINC000850345493 1250442824 /nfs/dbraw/zinc/44/28/24/1250442824.db2.gz BZCQMLYHRYZIJD-MRXNPFEDSA-N 1 1 349.438 2.644 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+]CCO[C@H]2CC2(F)F)c1 ZINC000850365096 1250449506 /nfs/dbraw/zinc/44/95/06/1250449506.db2.gz BIIZBCCEHBATBY-NSHDSACASA-N 1 1 336.176 2.977 10 10 EFCEMO C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000850502237 1250514185 /nfs/dbraw/zinc/51/41/85/1250514185.db2.gz UYCXYBVRXVWCKU-KBPBESRZSA-N 1 1 327.900 2.968 10 10 EFCEMO CC[C@@H]([NH2+]CCN1C[C@@H]2CCCCN2C1=O)c1ccc(F)cc1O ZINC000850563414 1250534132 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EFCEMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921663940 1259567425 /nfs/dbraw/zinc/56/74/25/1259567425.db2.gz YWNWZKCAQVTBLC-MRXNPFEDSA-N 1 1 329.375 2.517 10 10 EFCEMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921663940 1259567432 /nfs/dbraw/zinc/56/74/32/1259567432.db2.gz YWNWZKCAQVTBLC-MRXNPFEDSA-N 1 1 329.375 2.517 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655797 1278220744 /nfs/dbraw/zinc/22/07/44/1278220744.db2.gz ZXUMBDPXHMSMDL-HCKVZZMMSA-N 1 1 329.799 2.547 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000824655797 1278220752 /nfs/dbraw/zinc/22/07/52/1278220752.db2.gz ZXUMBDPXHMSMDL-HCKVZZMMSA-N 1 1 329.799 2.547 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655803 1278222573 /nfs/dbraw/zinc/22/25/73/1278222573.db2.gz ZXUMBDPXHMSMDL-JVLSTEMRSA-N 1 1 329.799 2.547 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000824655803 1278222578 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O=C(NCc1c(O)cccc1F)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000928710282 1297125623 /nfs/dbraw/zinc/12/56/23/1297125623.db2.gz ABTXZOZRZGCUHI-QGZVFWFLSA-N 1 1 328.387 2.812 10 10 EFCEMO Cc1cc(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n[nH]1 ZINC000930172303 1297246027 /nfs/dbraw/zinc/24/60/27/1297246027.db2.gz AOZZGFLWAIOJFP-UHFFFAOYSA-N 1 1 340.471 2.934 10 10 EFCEMO CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000931011130 1297304843 /nfs/dbraw/zinc/30/48/43/1297304843.db2.gz VAZGCXSFWCDJSY-OAHLLOKOSA-N 1 1 342.443 2.642 10 10 EFCEMO CC(=O)c1cc(F)cc(C[NH+]2CCC(CO)(C(F)(F)F)CC2)c1O ZINC000932824102 1297459440 /nfs/dbraw/zinc/45/94/40/1297459440.db2.gz HMXOAIXKXLEIMG-UHFFFAOYSA-N 1 1 349.324 2.871 10 10 EFCEMO CCCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903908752 1313393706 /nfs/dbraw/zinc/39/37/06/1313393706.db2.gz PCUWVEXMNGWNQX-QGZVFWFLSA-N 1 1 343.475 2.711 10 10 EFCEMO CN(C)c1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1F ZINC000852411500 1299694313 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CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001349835985 1333003555 /nfs/dbraw/zinc/00/35/55/1333003555.db2.gz SARNVRHXIVNNTR-RBSFLKMASA-N 1 1 337.460 2.615 10 10 EFCEMO COC(=O)c1c(C[N@@H+](C)CCCCCO)c2cc(F)ccc2n1C ZINC001350320219 1333063845 /nfs/dbraw/zinc/06/38/45/1333063845.db2.gz XHFOOVMBMKPRIP-UHFFFAOYSA-N 1 1 336.407 2.698 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c(Cl)c1 ZINC001350337783 1333066332 /nfs/dbraw/zinc/06/63/32/1333066332.db2.gz FMPXOFAVEZRUQJ-ZDUSSCGKSA-N 1 1 325.836 2.717 10 10 EFCEMO Cc1cc(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c(C)n1-c1ccccn1 ZINC001351024027 1333168762 /nfs/dbraw/zinc/16/87/62/1333168762.db2.gz APVYVRGUXKMSKM-BPQIPLTHSA-N 1 1 338.455 2.559 10 10 EFCEMO CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001300633411 1334344646 /nfs/dbraw/zinc/34/46/46/1334344646.db2.gz IPNPKPVYZQOZCY-KRWDZBQOSA-N 1 1 347.503 2.902 10 10 EFCEMO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000848567227 1334797939 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EFCEMO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NCc2cc(OC)ccc2O)cc1 ZINC000849350092 1335596643 /nfs/dbraw/zinc/59/66/43/1335596643.db2.gz PFOQEKHNOGSPGF-OALUTQOASA-N 1 1 342.439 2.645 10 10 EFCEMO Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC001464879379 1396625741 /nfs/dbraw/zinc/62/57/41/1396625741.db2.gz OOHIWWCNZJGXFL-UHFFFAOYSA-N 1 1 341.455 2.977 10 10 EFCEMO Cc1cc(N(C)C)ccc1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001465029235 1396642930 /nfs/dbraw/zinc/64/29/30/1396642930.db2.gz JCWNQVWQBANWTF-UHFFFAOYSA-N 1 1 339.483 2.852 10 10 EFCEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001471508796 1397179806 /nfs/dbraw/zinc/17/98/06/1397179806.db2.gz KLTQOCJKEUWJQU-IBGZPJMESA-N 1 1 344.503 2.913 10 10 EFCEMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(-c2nc[nH]n2)no1 ZINC001473423607 1397301930 /nfs/dbraw/zinc/30/19/30/1397301930.db2.gz AQVMFHCJMUDHQA-LBPRGKRZSA-N 1 1 342.403 2.924 10 10 EFCEMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001556095342 1415053365 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331.504 2.685 10 10 EFCEMO CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001560170739 1415265706 /nfs/dbraw/zinc/26/57/06/1415265706.db2.gz KXAYLRYIHBZMCI-HXUWFJFHSA-N 1 1 331.504 2.685 10 10 EFCEMO CC(C)C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC001560170739 1415265710 /nfs/dbraw/zinc/26/57/10/1415265710.db2.gz KXAYLRYIHBZMCI-HXUWFJFHSA-N 1 1 331.504 2.685 10 10 EFCEMO Cc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272918 1416641213 /nfs/dbraw/zinc/64/12/13/1416641213.db2.gz MRAQXTLTVLTJAJ-RTBURBONSA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@H+]2C[C@@H](C)N(CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272918 1416641215 /nfs/dbraw/zinc/64/12/15/1416641215.db2.gz MRAQXTLTVLTJAJ-RTBURBONSA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@@H+]2C[C@@H](C)N(CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272918 1416641218 /nfs/dbraw/zinc/64/12/18/1416641218.db2.gz MRAQXTLTVLTJAJ-RTBURBONSA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(Br)cc(CN2CC[N@H+](C)C(C)(C)C2)c1O ZINC000160967273 1418549341 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CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)c1O ZINC000771302494 581196934 /nfs/dbraw/zinc/19/69/34/581196934.db2.gz SOOGKXJIJAXCGP-LLVKDONJSA-N 1 1 346.406 2.903 10 10 EFCEMO COC[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000774095267 581483083 /nfs/dbraw/zinc/48/30/83/581483083.db2.gz NVYCBQLQSZORAO-HNNXBMFYSA-N 1 1 344.455 2.986 10 10 EFCEMO COc1c([O-])c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910462 581503857 /nfs/dbraw/zinc/50/38/57/581503857.db2.gz AWSDVULWQSJXFH-GXTWGEPZSA-N 1 1 336.388 2.558 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910462 581503858 /nfs/dbraw/zinc/50/38/58/581503858.db2.gz AWSDVULWQSJXFH-GXTWGEPZSA-N 1 1 336.388 2.558 10 10 EFCEMO COc1c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910462 581503859 /nfs/dbraw/zinc/50/38/59/581503859.db2.gz AWSDVULWQSJXFH-GXTWGEPZSA-N 1 1 336.388 2.558 10 10 EFCEMO CN1CCCc2cc(C[NH2+]Cc3ccnn3-c3ccncc3)ccc21 ZINC000850099164 1250278236 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C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(F)cc(F)c1O ZINC000850497596 1250512643 /nfs/dbraw/zinc/51/26/43/1250512643.db2.gz VYNBISPLIBNTRM-QFWYVNQISA-N 1 1 331.306 2.632 10 10 EFCEMO C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000850568066 1250540401 /nfs/dbraw/zinc/54/04/01/1250540401.db2.gz OTYYWCMDVRVIFY-ACRUOGEOSA-N 1 1 343.515 2.610 10 10 EFCEMO CN1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000850568066 1250540412 /nfs/dbraw/zinc/54/04/12/1250540412.db2.gz OTYYWCMDVRVIFY-ACRUOGEOSA-N 1 1 343.515 2.610 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(CC(N)=O)CCCCC2)c1 ZINC000850574579 1250543976 /nfs/dbraw/zinc/54/39/76/1250543976.db2.gz ZOAFWKQDYLBXPX-CYBMUJFWSA-N 1 1 348.443 2.655 10 10 EFCEMO C[N@H+]1CC[C@H](NC(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000921677611 1260276742 /nfs/dbraw/zinc/27/67/42/1260276742.db2.gz FQUYFIQOPGTNPV-FUHWJXTLSA-N 1 1 343.402 2.776 10 10 EFCEMO CCc1cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n[nH]1 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AHAGNUOGLZYHBS-SXLOBPIMSA-N 1 1 332.488 2.895 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000824653334 1278217226 /nfs/dbraw/zinc/21/72/26/1278217226.db2.gz AHAGNUOGLZYHBS-MISYRCLQSA-N 1 1 332.488 2.895 10 10 EFCEMO Cc1cc(CC[NH2+]Cc2cc(C)cc(Br)c2O)nn1C ZINC000922690218 1266596175 /nfs/dbraw/zinc/59/61/75/1266596175.db2.gz GMPUDDMRLQBDRS-UHFFFAOYSA-N 1 1 338.249 2.837 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000824799785 1278290351 /nfs/dbraw/zinc/29/03/51/1278290351.db2.gz QYPUQGQTUHJULA-WFASDCNBSA-N 1 1 338.404 2.850 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]3CC4(CC[C@@H]31)OCCO4)OCO2 ZINC000825031053 1278388915 /nfs/dbraw/zinc/38/89/15/1278388915.db2.gz XIQSJDRBECAOOS-HIFRSBDPSA-N 1 1 347.411 2.629 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)nc1 ZINC000825305876 1278500322 /nfs/dbraw/zinc/50/03/22/1278500322.db2.gz VFKBUPBOAWBTTO-UHFFFAOYSA-N 1 1 333.819 2.771 10 10 EFCEMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000843851841 1278608398 /nfs/dbraw/zinc/60/83/98/1278608398.db2.gz QYILRJRSJUKDSI-QWHCGFSZSA-N 1 1 331.416 2.555 10 10 EFCEMO COc1cccc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1O ZINC000792186045 1278626007 /nfs/dbraw/zinc/62/60/07/1278626007.db2.gz FWEOQYHINUKGFY-KRWDZBQOSA-N 1 1 329.396 2.681 10 10 EFCEMO COc1cccc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c1O ZINC000792186045 1278626020 /nfs/dbraw/zinc/62/60/20/1278626020.db2.gz FWEOQYHINUKGFY-KRWDZBQOSA-N 1 1 329.396 2.681 10 10 EFCEMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000746329029 1272045699 /nfs/dbraw/zinc/04/56/99/1272045699.db2.gz BOWBTYNOVVXXPQ-QFBILLFUSA-N 1 1 346.519 2.933 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)c1 ZINC000786950587 1275586954 /nfs/dbraw/zinc/58/69/54/1275586954.db2.gz PRAWHAIRYAGOAD-RNCFNFMXSA-N 1 1 335.322 2.797 10 10 EFCEMO COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H]1CCCO1 ZINC000788533008 1276223327 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CCOc1ccc(O)c(C[NH2+][C@@H](C)c2ncc(C(=O)OC)s2)c1 ZINC000818230486 1276495870 /nfs/dbraw/zinc/49/58/70/1276495870.db2.gz CIGHVONDJJHFKN-JTQLQIEISA-N 1 1 336.413 2.885 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+]C3([C@H]4CCCCO4)CC3)cc2)CC1 ZINC000923031574 1276558947 /nfs/dbraw/zinc/55/89/47/1276558947.db2.gz XONGQPDAMNIUIV-LJQANCHMSA-N 1 1 329.488 2.630 10 10 EFCEMO Cc1cc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)ccc1N(C)C ZINC000815104015 1287325415 /nfs/dbraw/zinc/32/54/15/1287325415.db2.gz AZHWSQDNOVZICA-INIZCTEOSA-N 1 1 325.460 2.813 10 10 EFCEMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792790905 1279154171 /nfs/dbraw/zinc/15/41/71/1279154171.db2.gz VDPVWODRTVNJLY-LBPRGKRZSA-N 1 1 330.350 2.766 10 10 EFCEMO COc1c[nH+]ccc1N1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815105322 1287328490 /nfs/dbraw/zinc/32/84/90/1287328490.db2.gz AAODPCCZHSDYGG-UHFFFAOYSA-N 1 1 340.471 2.787 10 10 EFCEMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000844743993 1279213540 /nfs/dbraw/zinc/21/35/40/1279213540.db2.gz CHURAPXUXJXDPQ-RSPIHXBNSA-N 1 1 331.437 2.722 10 10 EFCEMO CN1CCN(c2ccc(C[N@@H+]3CCCCC[C@@H]3CCO)cc2)CC1 ZINC000793610957 1279774122 /nfs/dbraw/zinc/77/41/22/1279774122.db2.gz ZMYVPQWPUIVPIJ-LJQANCHMSA-N 1 1 331.504 2.565 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3CCO)cc2)CC1 ZINC000793610957 1279774130 /nfs/dbraw/zinc/77/41/30/1279774130.db2.gz ZMYVPQWPUIVPIJ-LJQANCHMSA-N 1 1 331.504 2.565 10 10 EFCEMO CCC[N@H+]1CCCC[C@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001144868178 1280263331 /nfs/dbraw/zinc/26/33/31/1280263331.db2.gz PPSNVSSHHAJSIC-IBGZPJMESA-N 1 1 347.503 2.854 10 10 EFCEMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nonc2C)c1O ZINC000872135159 1287440851 /nfs/dbraw/zinc/44/08/51/1287440851.db2.gz FXSNZWNCVWSGNE-ZETCQYMHSA-N 1 1 342.193 2.706 10 10 EFCEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808776256 1281894744 /nfs/dbraw/zinc/89/47/44/1281894744.db2.gz DYWZISCPWMBGQK-SFHVURJKSA-N 1 1 329.488 2.833 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@@H](O)C(F)(F)F)c1 ZINC000809743679 1282442647 /nfs/dbraw/zinc/44/26/47/1282442647.db2.gz ZPNLJRTTXPVVQO-SNVBAGLBSA-N 1 1 342.155 2.866 10 10 EFCEMO CCOC(=O)COCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000809932782 1282609658 /nfs/dbraw/zinc/60/96/58/1282609658.db2.gz DUGXQGMFFDMONV-UHFFFAOYSA-N 1 1 334.460 2.688 10 10 EFCEMO Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810411093 1283214566 /nfs/dbraw/zinc/21/45/66/1283214566.db2.gz IGXLZQWJFSPQMG-LJQANCHMSA-N 1 1 335.467 2.890 10 10 EFCEMO Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810411092 1283214737 /nfs/dbraw/zinc/21/47/37/1283214737.db2.gz IGXLZQWJFSPQMG-IBGZPJMESA-N 1 1 335.467 2.890 10 10 EFCEMO Oc1c(F)cc(Br)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000715726963 1284318700 /nfs/dbraw/zinc/31/87/00/1284318700.db2.gz WPWTVIUYQSCASJ-LBPRGKRZSA-N 1 1 329.213 2.574 10 10 EFCEMO Oc1c(F)cc(Br)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000715726963 1284318710 /nfs/dbraw/zinc/31/87/10/1284318710.db2.gz WPWTVIUYQSCASJ-LBPRGKRZSA-N 1 1 329.213 2.574 10 10 EFCEMO COc1ccc(N2CC[NH+](CCNC(=O)CCCC3CC3)CC2)cc1 ZINC000812507765 1285191911 /nfs/dbraw/zinc/19/19/11/1285191911.db2.gz HYWXXRDHLGHIBJ-UHFFFAOYSA-N 1 1 345.487 2.514 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000812735829 1285387669 /nfs/dbraw/zinc/38/76/69/1285387669.db2.gz BDGUXRGSBVDUJE-LBPRGKRZSA-N 1 1 343.427 2.642 10 10 EFCEMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@H](CC)C1 ZINC000822511298 1289020384 /nfs/dbraw/zinc/02/03/84/1289020384.db2.gz BKFAANNDRWPHNP-DOTOQJQBSA-N 1 1 335.444 2.963 10 10 EFCEMO CN(C)c1ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c(C(F)(F)F)c1 ZINC000814172821 1286354813 /nfs/dbraw/zinc/35/48/13/1286354813.db2.gz AOJONCMRSZLLBW-CZUORRHYSA-N 1 1 327.394 2.907 10 10 EFCEMO C[N@H+]1C[C@H]2CCN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000814172992 1286354916 /nfs/dbraw/zinc/35/49/16/1286354916.db2.gz FDCVGIQZIBQANH-APWZRJJASA-N 1 1 344.459 2.721 10 10 EFCEMO Cc1cc(Br)cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1O ZINC000814173937 1286357368 /nfs/dbraw/zinc/35/73/68/1286357368.db2.gz TVLSHHXTNPVXSL-BXUZGUMPSA-N 1 1 325.250 2.599 10 10 EFCEMO COc1ccc(O)c(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1 ZINC000816627023 1288215806 /nfs/dbraw/zinc/21/58/06/1288215806.db2.gz CKQIIEKURVKYHL-VIFPVBQESA-N 1 1 338.205 2.804 10 10 EFCEMO Nc1nccc([C@@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000816601098 1288221380 /nfs/dbraw/zinc/22/13/80/1288221380.db2.gz QUGGCTRMLVJYDJ-SNVBAGLBSA-N 1 1 336.798 2.937 10 10 EFCEMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000816601098 1288221384 /nfs/dbraw/zinc/22/13/84/1288221384.db2.gz QUGGCTRMLVJYDJ-SNVBAGLBSA-N 1 1 336.798 2.937 10 10 EFCEMO Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000816601097 1288221474 /nfs/dbraw/zinc/22/14/74/1288221474.db2.gz QUGGCTRMLVJYDJ-JTQLQIEISA-N 1 1 336.798 2.937 10 10 EFCEMO Nc1nccc([C@H]2CCC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)n1 ZINC000816601097 1288221477 /nfs/dbraw/zinc/22/14/77/1288221477.db2.gz QUGGCTRMLVJYDJ-JTQLQIEISA-N 1 1 336.798 2.937 10 10 EFCEMO CN(Cc1cccs1)c1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000824344763 1289617289 /nfs/dbraw/zinc/61/72/89/1289617289.db2.gz SXENXKKZOJKJFY-HDICACEKSA-N 1 1 344.480 2.984 10 10 EFCEMO CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)cc1 ZINC000824344763 1289617300 /nfs/dbraw/zinc/61/73/00/1289617300.db2.gz SXENXKKZOJKJFY-HDICACEKSA-N 1 1 344.480 2.984 10 10 EFCEMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824575475 1289704418 /nfs/dbraw/zinc/70/44/18/1289704418.db2.gz GBTXODCWTPAOCN-STQMWFEESA-N 1 1 334.460 2.784 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 ZINC000824636061 1289732859 /nfs/dbraw/zinc/73/28/59/1289732859.db2.gz LPESJDWLUZFDOM-IEBWSBKVSA-N 1 1 331.387 2.701 10 10 EFCEMO CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@@H](O)C(F)F ZINC000824637519 1289733175 /nfs/dbraw/zinc/73/31/75/1289733175.db2.gz XOEGMXRIHFXPBZ-ZYHUDNBSSA-N 1 1 338.192 2.957 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 ZINC000824636058 1289733190 /nfs/dbraw/zinc/73/31/90/1289733190.db2.gz LPESJDWLUZFDOM-HKUYNNGSSA-N 1 1 331.387 2.701 10 10 EFCEMO COc1cccc(O)c1C[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637214 1289734539 /nfs/dbraw/zinc/73/45/39/1289734539.db2.gz WSJPWRWUZAZYSJ-VQIMIIECSA-N 1 1 331.387 2.701 10 10 EFCEMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CC2 ZINC000817549908 1289957891 /nfs/dbraw/zinc/95/78/91/1289957891.db2.gz PFIFBZOGBMTOKK-CABCVRRESA-N 1 1 334.847 2.926 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775029546 1290971571 /nfs/dbraw/zinc/97/15/71/1290971571.db2.gz PBOVARBNVIYKEV-MRXNPFEDSA-N 1 1 348.403 2.920 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000775029544 1290972461 /nfs/dbraw/zinc/97/24/61/1290972461.db2.gz PBOVARBNVIYKEV-INIZCTEOSA-N 1 1 348.403 2.920 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775096879 1291115506 /nfs/dbraw/zinc/11/55/06/1291115506.db2.gz FFZJBYFSTOIUBY-KRWDZBQOSA-N 1 1 338.404 2.730 10 10 EFCEMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165874 1292487022 /nfs/dbraw/zinc/48/70/22/1292487022.db2.gz YWZYXLHZOTYIHF-QZTJIDSGSA-N 1 1 347.503 2.504 10 10 EFCEMO CCCCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903908751 1313393790 /nfs/dbraw/zinc/39/37/90/1313393790.db2.gz PCUWVEXMNGWNQX-KRWDZBQOSA-N 1 1 343.475 2.711 10 10 EFCEMO CN1CCCc2cc(CNC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)ccc21 ZINC000852411905 1299695170 /nfs/dbraw/zinc/69/51/70/1299695170.db2.gz IVKJSMYCBBPDIC-KRWDZBQOSA-N 1 1 344.503 2.741 10 10 EFCEMO CCN(C(=O)NCc1ccc(N2CCCC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000853411869 1300107945 /nfs/dbraw/zinc/10/79/45/1300107945.db2.gz OQRSDOCIJWNCSR-GOSISDBHSA-N 1 1 330.476 2.522 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1c1ccncc1)[C@H](O)CO2 ZINC000853632602 1300203292 /nfs/dbraw/zinc/20/32/92/1300203292.db2.gz HVXSBUOUGLYFSZ-MJGOQNOKSA-N 1 1 338.407 2.940 10 10 EFCEMO Cc1cc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)ccc1N(C)C ZINC000859521451 1301482521 /nfs/dbraw/zinc/48/25/21/1301482521.db2.gz IFENOJUSRDFLCR-GOSISDBHSA-N 1 1 332.488 2.815 10 10 EFCEMO C[C@H]1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[NH2+]1 ZINC000861690356 1302191041 /nfs/dbraw/zinc/19/10/41/1302191041.db2.gz NTLHAKARVBUZLC-GZMMTYOYSA-N 1 1 332.231 2.639 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000777223491 1302253256 /nfs/dbraw/zinc/25/32/56/1302253256.db2.gz ZDIRCUURMLRYRY-GFCCVEGCSA-N 1 1 337.221 2.502 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000777223491 1302253262 /nfs/dbraw/zinc/25/32/62/1302253262.db2.gz ZDIRCUURMLRYRY-GFCCVEGCSA-N 1 1 337.221 2.502 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000777223492 1302253374 /nfs/dbraw/zinc/25/33/74/1302253374.db2.gz ZDIRCUURMLRYRY-LBPRGKRZSA-N 1 1 337.221 2.502 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000777223492 1302253383 /nfs/dbraw/zinc/25/33/83/1302253383.db2.gz ZDIRCUURMLRYRY-LBPRGKRZSA-N 1 1 337.221 2.502 10 10 EFCEMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862387158 1302360671 /nfs/dbraw/zinc/36/06/71/1302360671.db2.gz IBITUBPARQBMHR-YMTOWFKASA-N 1 1 338.320 2.776 10 10 EFCEMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1F ZINC000862387158 1302360683 /nfs/dbraw/zinc/36/06/83/1302360683.db2.gz IBITUBPARQBMHR-YMTOWFKASA-N 1 1 338.320 2.776 10 10 EFCEMO CC(C)[N@H+](Cc1cc(F)c(N(C)C)cc1F)C[C@H]1CCC(=O)N1 ZINC000862394760 1302366360 /nfs/dbraw/zinc/36/63/60/1302366360.db2.gz QIDJMKICUHIXLQ-CYBMUJFWSA-N 1 1 325.403 2.520 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865779313 1303397037 /nfs/dbraw/zinc/39/70/37/1303397037.db2.gz GRPKXNDQEMOPAU-NSHDSACASA-N 1 1 329.799 2.860 10 10 EFCEMO COc1cc(CNc2cc3n(n2)CC[N@@H+](C)C3)c(O)c(C(C)(C)C)c1 ZINC000865846272 1303426750 /nfs/dbraw/zinc/42/67/50/1303426750.db2.gz OKPULWKIJLMNMC-UHFFFAOYSA-N 1 1 344.459 2.952 10 10 EFCEMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC000865925740 1303456672 /nfs/dbraw/zinc/45/66/72/1303456672.db2.gz MDHCONRPLLPSOA-SOIVGHGOSA-N 1 1 347.415 2.702 10 10 EFCEMO C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(C(F)(F)F)c1O ZINC000866412606 1303627016 /nfs/dbraw/zinc/62/70/16/1303627016.db2.gz KWBFXKSPJPNARY-NEPJUHHUSA-N 1 1 346.393 2.907 10 10 EFCEMO C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000866437753 1303638572 /nfs/dbraw/zinc/63/85/72/1303638572.db2.gz NPIIIMJPANUKRE-SNVBAGLBSA-N 1 1 331.359 2.679 10 10 EFCEMO C[C@@H]([NH2+]Cc1nnc(C2CCOCC2)[nH]1)c1ccc(N(C)C)cc1 ZINC000866441730 1303641623 /nfs/dbraw/zinc/64/16/23/1303641623.db2.gz SISUDOWYXMWTCS-CYBMUJFWSA-N 1 1 329.448 2.616 10 10 EFCEMO O=C(NCc1ccccc1O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000869102364 1304610699 /nfs/dbraw/zinc/61/06/99/1304610699.db2.gz XQDRIKWXDIDHEV-KRWDZBQOSA-N 1 1 331.460 2.989 10 10 EFCEMO CN1CCCc2cc(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)ccc21 ZINC000900434173 1308160393 /nfs/dbraw/zinc/16/03/93/1308160393.db2.gz XEJNNZQQITVEFI-PKOBYXMFSA-N 1 1 327.472 2.702 10 10 EFCEMO O=C(NCCCSc1nccs1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900683915 1308524971 /nfs/dbraw/zinc/52/49/71/1308524971.db2.gz TULMGHPIYUZAJM-STQMWFEESA-N 1 1 325.503 2.758 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@H](C1)O3)oc1ccccc12 ZINC000800863148 1308568830 /nfs/dbraw/zinc/56/88/30/1308568830.db2.gz JKMDYZGLAOKTOS-OKILXGFUSA-N 1 1 325.364 2.891 10 10 EFCEMO COc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c(O)c1 ZINC000181414347 1314774337 /nfs/dbraw/zinc/77/43/37/1314774337.db2.gz VGRARGXUHYBBPV-UHFFFAOYSA-N 1 1 340.423 2.667 10 10 EFCEMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151762 1315602315 /nfs/dbraw/zinc/60/23/15/1315602315.db2.gz JFYNCXJOSGONGW-OAHLLOKOSA-N 1 1 326.234 2.892 10 10 EFCEMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(N)cc2)[C@@H]1c1ccc(F)cc1 ZINC001261372227 1316407856 /nfs/dbraw/zinc/40/78/56/1316407856.db2.gz PUTJTBGZPGYNPC-IRXDYDNUSA-N 1 1 328.391 2.975 10 10 EFCEMO Cc1cc(CC(=O)N2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001293398366 1322243169 /nfs/dbraw/zinc/24/31/69/1322243169.db2.gz JPYZPODVYDZZDY-MRXNPFEDSA-N 1 1 325.456 2.799 10 10 EFCEMO Cc1cc(CC(=O)N2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001293398366 1322243175 /nfs/dbraw/zinc/24/31/75/1322243175.db2.gz JPYZPODVYDZZDY-MRXNPFEDSA-N 1 1 325.456 2.799 10 10 EFCEMO COc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC001306993240 1324737650 /nfs/dbraw/zinc/73/76/50/1324737650.db2.gz BWMRLNUWVVTHIJ-QWHCGFSZSA-N 1 1 335.404 2.533 10 10 EFCEMO CCC[N@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](COC)C(=O)OCC ZINC001307684888 1324777582 /nfs/dbraw/zinc/77/75/82/1324777582.db2.gz VJFJKZQXNOESAD-GOSISDBHSA-N 1 1 336.476 2.851 10 10 EFCEMO CCC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](COC)C(=O)OCC ZINC001307684888 1324777587 /nfs/dbraw/zinc/77/75/87/1324777587.db2.gz VJFJKZQXNOESAD-GOSISDBHSA-N 1 1 336.476 2.851 10 10 EFCEMO CCC(CC)C[N@@H+](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001317473666 1324794146 /nfs/dbraw/zinc/79/41/46/1324794146.db2.gz ZWOPJRDXTNFFDB-UHFFFAOYSA-N 1 1 333.436 2.947 10 10 EFCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)cc1 ZINC001308137887 1324796078 /nfs/dbraw/zinc/79/60/78/1324796078.db2.gz VXEBAOAXVIXNMI-ZWKOTPCHSA-N 1 1 329.488 2.879 10 10 EFCEMO CC(C)[N@@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001316927975 1325373750 /nfs/dbraw/zinc/37/37/50/1325373750.db2.gz UUICJXCWFNOPBQ-UHFFFAOYSA-N 1 1 331.420 2.842 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)NCC[N@@H+](CC2CCC2)C2CC2)cc1 ZINC001317561187 1328145422 /nfs/dbraw/zinc/14/54/22/1328145422.db2.gz WAXQKONULMWNSO-UHFFFAOYSA-N 1 1 343.431 2.843 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3CCO)cc2F)CC1 ZINC001322316259 1329446404 /nfs/dbraw/zinc/44/64/04/1329446404.db2.gz WHQJZPFDLANSOY-GOSISDBHSA-N 1 1 349.494 2.705 10 10 EFCEMO C[NH+]1CCN(c2ccc(CN[C@@H]3CCCC3(F)F)cc2F)CC1 ZINC001323456860 1329544574 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EFCEMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2F)CC1 ZINC001333736160 1331205213 /nfs/dbraw/zinc/20/52/13/1331205213.db2.gz RCITUXOIFNTJDJ-PXNSSMCTSA-N 1 1 347.478 2.578 10 10 EFCEMO COCC[N@H+]1CCN(Cc2ccc(N3CCCC3)cc2)C(C)(C)C1 ZINC001346166449 1332606856 /nfs/dbraw/zinc/60/68/56/1332606856.db2.gz XERDGUHDNKFKQZ-UHFFFAOYSA-N 1 1 331.504 2.829 10 10 EFCEMO COCCN1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C(C)(C)C1 ZINC001346166449 1332606859 /nfs/dbraw/zinc/60/68/59/1332606859.db2.gz XERDGUHDNKFKQZ-UHFFFAOYSA-N 1 1 331.504 2.829 10 10 EFCEMO COCCN1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C(C)(C)C1 ZINC001346166449 1332606862 /nfs/dbraw/zinc/60/68/62/1332606862.db2.gz XERDGUHDNKFKQZ-UHFFFAOYSA-N 1 1 331.504 2.829 10 10 EFCEMO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC001346206253 1332611059 /nfs/dbraw/zinc/61/10/59/1332611059.db2.gz QOXIIIVSUQNLBW-QGZVFWFLSA-N 1 1 335.467 2.578 10 10 EFCEMO CC1CCN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000847474462 1333771339 /nfs/dbraw/zinc/77/13/39/1333771339.db2.gz MQJLAVCEWQPKBA-UHFFFAOYSA-N 1 1 329.488 2.881 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)cc2)CC1 ZINC000848560712 1334795270 /nfs/dbraw/zinc/79/52/70/1334795270.db2.gz QEUMRZZSLUZEQJ-SFTDATJTSA-N 1 1 343.515 2.876 10 10 EFCEMO CC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCCO1 ZINC000848575511 1334802510 /nfs/dbraw/zinc/80/25/10/1334802510.db2.gz RSHFOBOPVPKSSP-UXHICEINSA-N 1 1 331.504 2.876 10 10 EFCEMO Cn1c(Cl)ncc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000848881838 1334958070 /nfs/dbraw/zinc/95/80/70/1334958070.db2.gz ZVFLADAAGXQAJQ-UHFFFAOYSA-N 1 1 334.851 2.542 10 10 EFCEMO Cn1c(Cl)ncc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000848881838 1334958076 /nfs/dbraw/zinc/95/80/76/1334958076.db2.gz ZVFLADAAGXQAJQ-UHFFFAOYSA-N 1 1 334.851 2.542 10 10 EFCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCSC[C@@H]2C(C)(C)C)cc1 ZINC001473750366 1335501478 /nfs/dbraw/zinc/50/14/78/1335501478.db2.gz NGVAOWSOGCIQFQ-QGZVFWFLSA-N 1 1 349.544 2.832 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(N)ccc43)cc2)CC1 ZINC000849352722 1335597131 /nfs/dbraw/zinc/59/71/31/1335597131.db2.gz QLYUCHJSISIUNL-OAQYLSRUSA-N 1 1 336.483 2.798 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(N)ccc43)cc2)CC1 ZINC000849352721 1335597285 /nfs/dbraw/zinc/59/72/85/1335597285.db2.gz QLYUCHJSISIUNL-NRFANRHFSA-N 1 1 336.483 2.798 10 10 EFCEMO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2O)[NH+](C)C)cc1 ZINC001439959023 1389370134 /nfs/dbraw/zinc/37/01/34/1389370134.db2.gz BELKDIPHBJBQMF-QGZVFWFLSA-N 1 1 345.418 2.630 10 10 EFCEMO C[N@@H+](CCc1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1)C1CC1 ZINC001446973083 1391649273 /nfs/dbraw/zinc/64/92/73/1391649273.db2.gz MCWNPKVBJMWHFE-UHFFFAOYSA-N 1 1 340.423 2.916 10 10 EFCEMO CCN(CC)c1ccc(CN(C)C(=O)CC[N@H+]2CC[C@@H](F)C2)cc1 ZINC001463773298 1396519873 /nfs/dbraw/zinc/51/98/73/1396519873.db2.gz AWGCSYZOPLTSRD-QGZVFWFLSA-N 1 1 335.467 2.925 10 10 EFCEMO C[C@@H]1[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001479377616 1397707952 /nfs/dbraw/zinc/70/79/52/1397707952.db2.gz WNIFQUPWQQVZMR-CRAIPNDOSA-N 1 1 330.476 2.521 10 10 EFCEMO CC/C=C/CC[NH+]1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001494515958 1399358269 /nfs/dbraw/zinc/35/82/69/1399358269.db2.gz WVDAHSZIARPONN-XZFMURBMSA-N 1 1 329.404 2.619 10 10 EFCEMO CCc1cc(C(=O)N(CC)CC[NH2+]Cc2ccc(OC)c(C)c2)n[nH]1 ZINC001497351054 1401321254 /nfs/dbraw/zinc/32/12/54/1401321254.db2.gz CIDXZKKTTWTBFP-UHFFFAOYSA-N 1 1 344.459 2.541 10 10 EFCEMO CN(CCC[N@@H+](C)CCCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001502403119 1404141892 /nfs/dbraw/zinc/14/18/92/1404141892.db2.gz FIPNRDUJGLIZLL-UHFFFAOYSA-N 1 1 337.399 2.603 10 10 EFCEMO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@H+](C)CC[C@H](C)F ZINC001506067717 1405428314 /nfs/dbraw/zinc/42/83/14/1405428314.db2.gz TWUFRZDSHDOHHL-NWDGAFQWSA-N 1 1 337.399 2.647 10 10 EFCEMO COc1ccc(N(C)CC[N@H+](C)CC(=O)NCCC(C)(C)C)cc1 ZINC001559967030 1415260196 /nfs/dbraw/zinc/26/01/96/1415260196.db2.gz RMCZQHFRGQFBBX-UHFFFAOYSA-N 1 1 335.492 2.616 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)NCCC(C)(C)C)cc1 ZINC001559967030 1415260198 /nfs/dbraw/zinc/26/01/98/1415260198.db2.gz RMCZQHFRGQFBBX-UHFFFAOYSA-N 1 1 335.492 2.616 10 10 EFCEMO COc1ccc(N2CC[NH+](CCOCCC(C)C)CC2)c(OC)c1 ZINC001560082351 1415262512 /nfs/dbraw/zinc/26/25/12/1415262512.db2.gz AXIBHRWBENCZFX-UHFFFAOYSA-N 1 1 336.476 2.889 10 10 EFCEMO Cc1cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272914 1416641025 /nfs/dbraw/zinc/64/10/25/1416641025.db2.gz MRAQXTLTVLTJAJ-MOPGFXCFSA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272914 1416641030 /nfs/dbraw/zinc/64/10/30/1416641030.db2.gz MRAQXTLTVLTJAJ-MOPGFXCFSA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@@H+]2C[C@@H](C)N(CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272914 1416641033 /nfs/dbraw/zinc/64/10/33/1416641033.db2.gz MRAQXTLTVLTJAJ-MOPGFXCFSA-N 1 1 345.531 2.872 10 10 EFCEMO CC1(C)CC[N@@H+](CCNC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC001685648559 1416769920 /nfs/dbraw/zinc/76/99/20/1416769920.db2.gz NWHAPHNZWGQQDO-UHFFFAOYSA-N 1 1 345.487 2.802 10 10 EFCEMO CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001686827021 1416811019 /nfs/dbraw/zinc/81/10/19/1416811019.db2.gz UZNWTNQRRZVPJZ-SJLPKXTDSA-N 1 1 346.519 2.776 10 10 EFCEMO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2[nH]nc(C)c2C)cc1C ZINC001717402953 1419380484 /nfs/dbraw/zinc/38/04/84/1419380484.db2.gz MUBXHEDJCCCKEH-HUUCEWRRSA-N 1 1 344.459 2.640 10 10 EFCEMO COc1cc(C[N@H+]2CCNC(=O)CC23CCC3)c(O)c(C(C)(C)C)c1 ZINC000895926967 724397200 /nfs/dbraw/zinc/39/72/00/724397200.db2.gz IGLPTBRBJLAEQP-UHFFFAOYSA-N 1 1 346.471 2.943 10 10 EFCEMO COC(=O)c1c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274304 723967732 /nfs/dbraw/zinc/96/77/32/723967732.db2.gz HXJBYHMRDOCLKF-CWTRNNRKSA-N 1 1 346.402 2.572 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000895679215 724249190 /nfs/dbraw/zinc/24/91/90/724249190.db2.gz YUZLKBPJVWONAR-SECBINFHSA-N 1 1 337.647 2.833 10 10 EFCEMO CC(C)O[C@@]1(C[NH2+]Cc2cccc(Br)c2O)CCOC1 ZINC000722340068 717822513 /nfs/dbraw/zinc/82/25/13/717822513.db2.gz LNNABDGIPKBZJR-OAHLLOKOSA-N 1 1 344.249 2.828 10 10 EFCEMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950594 718558421 /nfs/dbraw/zinc/55/84/21/718558421.db2.gz OVQGXADHMNMUPX-GFCCVEGCSA-N 1 1 331.865 2.611 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CS(C)(=O)=O)C2)c(Cl)c1 ZINC000840950594 718558422 /nfs/dbraw/zinc/55/84/22/718558422.db2.gz OVQGXADHMNMUPX-GFCCVEGCSA-N 1 1 331.865 2.611 10 10 EFCEMO COC[C@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@H](C)O1 ZINC000784669277 719390885 /nfs/dbraw/zinc/39/08/85/719390885.db2.gz ZGMPFHHJLUBJFQ-WCQYABFASA-N 1 1 344.249 2.699 10 10 EFCEMO c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925502389 719602195 /nfs/dbraw/zinc/60/21/95/719602195.db2.gz LEUNUNUDKWJUSX-LEWJYISDSA-N 1 1 343.515 2.781 10 10 EFCEMO COC(=O)c1c(C[N@@H+]2CCCO[C@H](C)C2)c2cc(F)ccc2n1C ZINC000893994949 720200818 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EFCEMO COC(=O)c1c(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894312970 722067626 /nfs/dbraw/zinc/06/76/26/722067626.db2.gz OXQWRZBONULVNR-OCCSQVGLSA-N 1 1 347.434 2.676 10 10 EFCEMO COC(=O)c1c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c2cc(F)ccc2n1C ZINC000894421658 722732266 /nfs/dbraw/zinc/73/22/66/722732266.db2.gz FMFJSWGAGVTMTN-STQMWFEESA-N 1 1 348.418 2.697 10 10 EFCEMO COCCC1(C)C[NH+](Cc2c3cc(F)ccc3n(C)c2C(=O)OC)C1 ZINC000894980063 723042690 /nfs/dbraw/zinc/04/26/90/723042690.db2.gz IBWAWWHGMHEIRN-UHFFFAOYSA-N 1 1 348.418 2.962 10 10 EFCEMO CCc1cccc(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895069958 723173742 /nfs/dbraw/zinc/17/37/42/723173742.db2.gz LGXRFUBFFZARNB-UHFFFAOYSA-N 1 1 327.428 2.742 10 10 EFCEMO O=C(NCCCSc1nccs1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000154597967 728816851 /nfs/dbraw/zinc/81/68/51/728816851.db2.gz ROJVFKNAEYTDIE-ZDUSSCGKSA-N 1 1 340.518 2.505 10 10 EFCEMO O=C(NCCCSc1nccs1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000154597854 728817060 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[O-]c1c(F)cc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000895405569 724118527 /nfs/dbraw/zinc/11/85/27/724118527.db2.gz LHDWUWQLWOAYMB-XHDPSFHLSA-N 1 1 344.224 2.888 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000895721669 724282658 /nfs/dbraw/zinc/28/26/58/724282658.db2.gz FYGCJKHTPFSIRF-IBGZPJMESA-N 1 1 332.488 2.896 10 10 EFCEMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1F ZINC000895837034 724343510 /nfs/dbraw/zinc/34/35/10/724343510.db2.gz JRVIDJMDPLCKHR-AWEZNQCLSA-N 1 1 338.320 2.778 10 10 EFCEMO CN(C)c1cc(F)c(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1F ZINC000895837034 724343514 /nfs/dbraw/zinc/34/35/14/724343514.db2.gz JRVIDJMDPLCKHR-AWEZNQCLSA-N 1 1 338.320 2.778 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000797903201 724877026 /nfs/dbraw/zinc/87/70/26/724877026.db2.gz PVLBLBPRDCYXRV-IBGZPJMESA-N 1 1 346.290 2.854 10 10 EFCEMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000730257410 725558821 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Cc1[nH+]ccn1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001570017793 1085866036 /nfs/dbraw/zinc/86/60/36/1085866036.db2.gz RQPQOSNFYNNGEJ-UHFFFAOYSA-N 1 1 332.367 2.540 10 10 EFCEMO C[C@H](Cc1ccsc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC001167582113 1092881097 /nfs/dbraw/zinc/88/10/97/1092881097.db2.gz KOJRXPHVLBMUEV-OAHLLOKOSA-N 1 1 345.512 2.993 10 10 EFCEMO CCc1cc(C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)n[nH]1 ZINC001268049831 1094967661 /nfs/dbraw/zinc/96/76/61/1094967661.db2.gz MWQFDENUUVBRIO-CQSZACIVSA-N 1 1 344.459 2.539 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001619656160 1099331582 /nfs/dbraw/zinc/33/15/82/1099331582.db2.gz FYFBGDGMHCHOMI-UHFFFAOYSA-N 1 1 349.475 2.683 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000781899968 1099957336 /nfs/dbraw/zinc/95/73/36/1099957336.db2.gz HWGOLCRPZZQQCH-LBPRGKRZSA-N 1 1 341.249 2.693 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@H]2CC(N)=O)c1 ZINC000781899968 1099957343 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EFCEMO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001633818487 1100567200 /nfs/dbraw/zinc/56/72/00/1100567200.db2.gz JIXWFLYKDMJPDW-PBHICJAKSA-N 1 1 346.471 2.942 10 10 EFCEMO O=C(Cc1ccc(O)c(O)c1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001639675820 1100972548 /nfs/dbraw/zinc/97/25/48/1100972548.db2.gz IUTKDYXMSZDRCU-INIZCTEOSA-N 1 1 332.444 2.554 10 10 EFCEMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001642997400 1101262301 /nfs/dbraw/zinc/26/23/01/1101262301.db2.gz AMDLBSVSZTYLAG-QFBILLFUSA-N 1 1 331.504 2.983 10 10 EFCEMO CCN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(N)=O)C2)cc1 ZINC001643431781 1101298032 /nfs/dbraw/zinc/29/80/32/1101298032.db2.gz WMSKVSTWYTVDAN-VQTJNVASSA-N 1 1 337.467 2.844 10 10 EFCEMO CC[N@H+]1C[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)(C)C1 ZINC001652603889 1101520259 /nfs/dbraw/zinc/52/02/59/1101520259.db2.gz PTDMUQYWGQSGKX-KRWDZBQOSA-N 1 1 340.471 2.949 10 10 EFCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC001655118250 1101785903 /nfs/dbraw/zinc/78/59/03/1101785903.db2.gz JWXATTJCVTXTNH-SFHVURJKSA-N 1 1 329.488 2.881 10 10 EFCEMO CNC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(C)c1 ZINC001655392394 1101819600 /nfs/dbraw/zinc/81/96/00/1101819600.db2.gz AVNJAZLKUCGAGX-UHFFFAOYSA-N 1 1 325.456 2.809 10 10 EFCEMO CNC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)c(C)c1 ZINC001655392394 1101819617 /nfs/dbraw/zinc/81/96/17/1101819617.db2.gz AVNJAZLKUCGAGX-UHFFFAOYSA-N 1 1 325.456 2.809 10 10 EFCEMO COC(=O)N(C)CC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000690718093 1102040979 /nfs/dbraw/zinc/04/09/79/1102040979.db2.gz ZZTCXPWMMSREFK-UHFFFAOYSA-N 1 1 345.237 2.593 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3cccc(N(C)C)n3)CC2)cc1F ZINC001168069464 1102350480 /nfs/dbraw/zinc/35/04/80/1102350480.db2.gz XSHJJVRJYPMPMJ-UHFFFAOYSA-N 1 1 344.434 2.618 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1C[C@@H]3COC[C@]3(c3ccccc3)C1)OCO2 ZINC000905675210 1103486932 /nfs/dbraw/zinc/48/69/32/1103486932.db2.gz BXZWTQLPBRKREO-UZLBHIALSA-N 1 1 339.391 2.521 10 10 EFCEMO C[C@]1([C@@H]2CCC[N@@H+](Cc3c(O)ccc4ccncc43)C2)COC(=O)N1 ZINC000905705995 1103517203 /nfs/dbraw/zinc/51/72/03/1103517203.db2.gz DMAIHIMHFMDFSO-AUUYWEPGSA-N 1 1 341.411 2.651 10 10 EFCEMO C[C@]1([C@@H]2CCC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)COC(=O)N1 ZINC000905708248 1103518952 /nfs/dbraw/zinc/51/89/52/1103518952.db2.gz ORFHUOPPFSVPMX-VQIMIIECSA-N 1 1 330.428 2.591 10 10 EFCEMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(N2CCCCC2)cc1 ZINC000841892457 1105853832 /nfs/dbraw/zinc/85/38/32/1105853832.db2.gz ZERWVGBRZFCWOO-QZTJIDSGSA-N 1 1 331.504 2.564 10 10 EFCEMO C[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)CN1CCO ZINC000841892457 1105853840 /nfs/dbraw/zinc/85/38/40/1105853840.db2.gz ZERWVGBRZFCWOO-QZTJIDSGSA-N 1 1 331.504 2.564 10 10 EFCEMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)CN1CCO ZINC000841892457 1105853847 /nfs/dbraw/zinc/85/38/47/1105853847.db2.gz ZERWVGBRZFCWOO-QZTJIDSGSA-N 1 1 331.504 2.564 10 10 EFCEMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897631187 1106005836 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344.503 2.911 10 10 EFCEMO C[NH+]1CCN(C(=O)/C=C\c2ccc(N3CCCCCC3)cc2)CC1 ZINC000096893680 1108766467 /nfs/dbraw/zinc/76/64/67/1108766467.db2.gz RPAVUNYNYLTWQD-FLIBITNWSA-N 1 1 327.472 2.854 10 10 EFCEMO CC(C)CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001485388884 1118330150 /nfs/dbraw/zinc/33/01/50/1118330150.db2.gz AMFJQUQIGLVHRG-ZDUSSCGKSA-N 1 1 333.436 2.945 10 10 EFCEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000171234690 239139894 /nfs/dbraw/zinc/13/98/94/239139894.db2.gz WMZAKKSPAHTMMY-HNNXBMFYSA-N 1 1 329.444 2.963 10 10 EFCEMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173371067 239189683 /nfs/dbraw/zinc/18/96/83/239189683.db2.gz IFJSLJOFBGSABT-QGZVFWFLSA-N 1 1 326.440 2.842 10 10 EFCEMO C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cc(Cl)c(Cl)cc1O ZINC000192983336 240078637 /nfs/dbraw/zinc/07/86/37/240078637.db2.gz OHFXEYVAWJWFAW-RKDXNWHRSA-N 1 1 327.215 2.956 10 10 EFCEMO CN(C)c1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC000194930382 240186634 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10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000922898435 1276277390 /nfs/dbraw/zinc/27/73/90/1276277390.db2.gz VRLPXPAIVCIMSN-PZJWPPBQSA-N 1 1 343.515 2.733 10 10 EFCEMO N[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817897996 1276366081 /nfs/dbraw/zinc/36/60/81/1276366081.db2.gz BLVDAWHQFRWKFY-APHBMKBZSA-N 1 1 325.403 2.726 10 10 EFCEMO [NH3+][C@@H]1CCC[C@H]1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817897996 1276366084 /nfs/dbraw/zinc/36/60/84/1276366084.db2.gz BLVDAWHQFRWKFY-APHBMKBZSA-N 1 1 325.403 2.726 10 10 EFCEMO C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817940897 1276385652 /nfs/dbraw/zinc/38/56/52/1276385652.db2.gz OYHAGADDDAZAQJ-CYBMUJFWSA-N 1 1 330.388 2.526 10 10 EFCEMO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)C2)cc1 ZINC000818341849 1276510328 /nfs/dbraw/zinc/51/03/28/1276510328.db2.gz HRCYKDNLOTXXBP-RCOXNQKVSA-N 1 1 343.515 2.984 10 10 EFCEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136395080 1277365715 /nfs/dbraw/zinc/36/57/15/1277365715.db2.gz ZFIWWLRCPWJDLI-OLZOCXBDSA-N 1 1 331.420 2.699 10 10 EFCEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136395079 1277366051 /nfs/dbraw/zinc/36/60/51/1277366051.db2.gz ZFIWWLRCPWJDLI-CHWSQXEVSA-N 1 1 331.420 2.699 10 10 EFCEMO O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000844743994 1279214089 /nfs/dbraw/zinc/21/40/89/1279214089.db2.gz CHURAPXUXJXDPQ-HDODXQBNSA-N 1 1 331.437 2.722 10 10 EFCEMO CN(C)c1ccc(C[NH2+]Cc2cc(C(N)=O)co2)c(C(F)(F)F)c1 ZINC000793091065 1279366398 /nfs/dbraw/zinc/36/63/98/1279366398.db2.gz AAIVAGNINNXSTL-UHFFFAOYSA-N 1 1 341.333 2.753 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+](CCO)Cc2ccnn2CC)cc1 ZINC000793306456 1279518776 /nfs/dbraw/zinc/51/87/76/1279518776.db2.gz ZKHCSFSHHOXNLE-UHFFFAOYSA-N 1 1 330.476 2.744 10 10 EFCEMO CCN(CC)c1ccc(C[N@@H+](CCO)Cc2ccnn2CC)cc1 ZINC000793306456 1279518783 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Fc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1N1CCOCC1 ZINC000793620405 1279778674 /nfs/dbraw/zinc/77/86/74/1279778674.db2.gz OVMDPVJKUMOOGP-IBGZPJMESA-N 1 1 334.435 2.665 10 10 EFCEMO Oc1c(Br)cccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007312 1279973757 /nfs/dbraw/zinc/97/37/57/1279973757.db2.gz FPXBYGUVSGAVNF-UHFFFAOYSA-N 1 1 326.234 2.892 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000846105803 1280035241 /nfs/dbraw/zinc/03/52/41/1280035241.db2.gz YMIGQBKURXZNMZ-AWEZNQCLSA-N 1 1 328.315 2.930 10 10 EFCEMO COc1c(O)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000846105803 1280035250 /nfs/dbraw/zinc/03/52/50/1280035250.db2.gz YMIGQBKURXZNMZ-AWEZNQCLSA-N 1 1 328.315 2.930 10 10 EFCEMO C[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805185147 1280473007 /nfs/dbraw/zinc/47/30/07/1280473007.db2.gz UEIDSCSQMKEROY-NSHDSACASA-N 1 1 332.231 2.592 10 10 EFCEMO C[N@H+]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805185147 1280473015 /nfs/dbraw/zinc/47/30/15/1280473015.db2.gz UEIDSCSQMKEROY-NSHDSACASA-N 1 1 332.231 2.592 10 10 EFCEMO CCN1C[C@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)OC1=O ZINC000846825396 1280521176 /nfs/dbraw/zinc/52/11/76/1280521176.db2.gz VDMDVJGBDKKXON-INIZCTEOSA-N 1 1 330.384 2.828 10 10 EFCEMO CCN1C[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)OC1=O ZINC000846825396 1280521182 /nfs/dbraw/zinc/52/11/82/1280521182.db2.gz VDMDVJGBDKKXON-INIZCTEOSA-N 1 1 330.384 2.828 10 10 EFCEMO COc1cc(Cl)cc(C[N@@H+]2CCN(C)c3ncccc3C2)c1O ZINC000872267494 1287510648 /nfs/dbraw/zinc/51/06/48/1287510648.db2.gz SKRXVGNKIDXIDW-UHFFFAOYSA-N 1 1 333.819 2.901 10 10 EFCEMO COc1cc(Cl)cc(C[N@H+]2CCN(C)c3ncccc3C2)c1O ZINC000872267494 1287510654 /nfs/dbraw/zinc/51/06/54/1287510654.db2.gz SKRXVGNKIDXIDW-UHFFFAOYSA-N 1 1 333.819 2.901 10 10 EFCEMO Cc1cccc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1O ZINC000809689943 1282375138 /nfs/dbraw/zinc/37/51/38/1282375138.db2.gz FKWMDPZJSFFBQG-CYBMUJFWSA-N 1 1 344.377 2.981 10 10 EFCEMO CN(C)c1ccc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1F ZINC000810266236 1283081518 /nfs/dbraw/zinc/08/15/18/1283081518.db2.gz XXANKTPIONUSQT-SFHVURJKSA-N 1 1 339.430 2.720 10 10 EFCEMO C[C@H]([NH2+]CCCN1CCOC1=O)c1cccc(C(F)(F)F)c1O ZINC000815575190 1287630985 /nfs/dbraw/zinc/63/09/85/1287630985.db2.gz LINFSWOXGZJBSO-JTQLQIEISA-N 1 1 332.322 2.904 10 10 EFCEMO Oc1ccc2c(c1CNc1nc(N3CCOCC3)cc[nH+]1)CCCC2 ZINC000811808274 1284638928 /nfs/dbraw/zinc/63/89/28/1284638928.db2.gz BSHLXYKWEBCMGQ-UHFFFAOYSA-N 1 1 340.427 2.510 10 10 EFCEMO CC[N@@H+](Cc1c(O)c(C(=O)OC)cc2ccccc21)[C@H]1CCOC1 ZINC000812294917 1285058043 /nfs/dbraw/zinc/05/80/43/1285058043.db2.gz AMJSVEYYNXZAJE-AWEZNQCLSA-N 1 1 329.396 2.943 10 10 EFCEMO CCOc1ccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c(O)c1 ZINC000814171509 1286353015 /nfs/dbraw/zinc/35/30/15/1286353015.db2.gz RFVKHWXJXAFJRJ-HNNXBMFYSA-N 1 1 341.473 2.580 10 10 EFCEMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c(O)c1 ZINC000814171510 1286353060 /nfs/dbraw/zinc/35/30/60/1286353060.db2.gz RFVKHWXJXAFJRJ-OAHLLOKOSA-N 1 1 341.473 2.580 10 10 EFCEMO CN(C)c1ccc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c(C(F)(F)F)c1 ZINC000814172819 1286354152 /nfs/dbraw/zinc/35/41/52/1286354152.db2.gz AOJONCMRSZLLBW-CJNGLKHVSA-N 1 1 327.394 2.907 10 10 EFCEMO COc1cccc(C[NH2+][C@@H](C)c2ncc(Br)cn2)c1O ZINC000814302720 1286502641 /nfs/dbraw/zinc/50/26/41/1286502641.db2.gz ZSGSYJQBXAPMGD-VIFPVBQESA-N 1 1 338.205 2.804 10 10 EFCEMO COc1cccc(C[NH2+][C@H](C)c2ncc(Br)cn2)c1O ZINC000814302719 1286503186 /nfs/dbraw/zinc/50/31/86/1286503186.db2.gz ZSGSYJQBXAPMGD-SECBINFHSA-N 1 1 338.205 2.804 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000816502455 1288173491 /nfs/dbraw/zinc/17/34/91/1288173491.db2.gz BLCQRVODNNMRJE-AWEZNQCLSA-N 1 1 342.842 2.871 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000816502455 1288173493 /nfs/dbraw/zinc/17/34/93/1288173493.db2.gz BLCQRVODNNMRJE-AWEZNQCLSA-N 1 1 342.842 2.871 10 10 EFCEMO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]1n1cccn1 ZINC000816673429 1288239302 /nfs/dbraw/zinc/23/93/02/1288239302.db2.gz YTGRAYQVUGAWNJ-FVQBIDKESA-N 1 1 339.798 2.890 10 10 EFCEMO CCN1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3SC)cc2F)CC1 ZINC000822456097 1288995940 /nfs/dbraw/zinc/99/59/40/1288995940.db2.gz OCUKKRKSLJIPCN-FUHWJXTLSA-N 1 1 337.508 2.951 10 10 EFCEMO CN(Cc1cccs1)c1ccc(C[NH2+]Cc2cnn(C)n2)cc1 ZINC000824377192 1289633478 /nfs/dbraw/zinc/63/34/78/1289633478.db2.gz WXZMQIZFYMFAAG-UHFFFAOYSA-N 1 1 327.457 2.803 10 10 EFCEMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824450965 1289654543 /nfs/dbraw/zinc/65/45/43/1289654543.db2.gz FKUDWVZKAWZPRL-GOSISDBHSA-N 1 1 343.471 2.951 10 10 EFCEMO COc1c([O-])c(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000828013995 1289668299 /nfs/dbraw/zinc/66/82/99/1289668299.db2.gz QHMAGSDBVVZVJB-UHFFFAOYSA-N 1 1 346.387 2.617 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H](C)Cc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000775011747 1290939662 /nfs/dbraw/zinc/93/96/62/1290939662.db2.gz BTLDRTSJPWFOHV-LLVKDONJSA-N 1 1 332.356 2.735 10 10 EFCEMO COc1c(O)c(C[NH2+]CCCc2c(C)noc2C)ccc1[N+](=O)[O-] ZINC000775036078 1290987062 /nfs/dbraw/zinc/98/70/62/1290987062.db2.gz AZEICWFYCGUXGJ-UHFFFAOYSA-N 1 1 335.360 2.636 10 10 EFCEMO COc1c(O)c(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000775038552 1290995907 /nfs/dbraw/zinc/99/59/07/1290995907.db2.gz VNOVGNCLRRIHMW-DOMZBBRYSA-N 1 1 338.404 2.730 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1Cl ZINC000826043020 1291686705 /nfs/dbraw/zinc/68/67/05/1291686705.db2.gz CSVYNJBWZGSLMR-XNRPHZJLSA-N 1 1 325.836 2.716 10 10 EFCEMO COc1cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826096855 1291984115 /nfs/dbraw/zinc/98/41/15/1291984115.db2.gz GAJBBHLISFLWBW-SUMWQHHRSA-N 1 1 337.460 2.670 10 10 EFCEMO COC(=O)CC[N@H+](Cc1cc(Cl)cc(C)c1O)C[C@@H]1CCCO1 ZINC000775703740 1294173659 /nfs/dbraw/zinc/17/36/59/1294173659.db2.gz WOOFYSFNQDGIJA-HNNXBMFYSA-N 1 1 341.835 2.898 10 10 EFCEMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000775748319 1294388516 /nfs/dbraw/zinc/38/85/16/1294388516.db2.gz UTRLRFKMZODPEA-IINYFYTJSA-N 1 1 326.799 2.675 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+]C[C@@H]3CCC4(CCC4)CO3)cc2)CC1 ZINC000886317818 1294849895 /nfs/dbraw/zinc/84/98/95/1294849895.db2.gz BJPOXBWCKXDJOS-FQEVSTJZSA-N 1 1 343.515 2.877 10 10 EFCEMO Cc1cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c(C)n1-c1ccccn1 ZINC000887936572 1295628730 /nfs/dbraw/zinc/62/87/30/1295628730.db2.gz OLIHDBDYKYDIAZ-UZLBHIALSA-N 1 1 338.455 2.513 10 10 EFCEMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000852413189 1299693704 /nfs/dbraw/zinc/69/37/04/1299693704.db2.gz PZVKGTDFVVLBRP-CHWSQXEVSA-N 1 1 335.448 2.634 10 10 EFCEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852532427 1299742203 /nfs/dbraw/zinc/74/22/03/1299742203.db2.gz HTGCJJOSKLNYLB-MRXNPFEDSA-N 1 1 335.467 2.783 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@@H+]2CCc3nccnc3C2)c1O ZINC000853606573 1300191325 /nfs/dbraw/zinc/19/13/25/1300191325.db2.gz NXRYFCNQOXUNLT-UHFFFAOYSA-N 1 1 349.390 2.680 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCc3nccnc3C2)c1O ZINC000853606573 1300191331 /nfs/dbraw/zinc/19/13/31/1300191331.db2.gz NXRYFCNQOXUNLT-UHFFFAOYSA-N 1 1 349.390 2.680 10 10 EFCEMO COc1ccc(N2CC[C@H](Nc3nc(N4CCCC4)cc[nH+]3)C2)cc1 ZINC000853758888 1300261903 /nfs/dbraw/zinc/26/19/03/1300261903.db2.gz MDIDNVBUVMONTJ-HNNXBMFYSA-N 1 1 339.443 2.776 10 10 EFCEMO COc1ccc(N2CC[C@@H](Nc3cc[nH+]cc3Br)C2)cc1 ZINC000853758928 1300262080 /nfs/dbraw/zinc/26/20/80/1300262080.db2.gz NHBICAXUCIGBDG-GFCCVEGCSA-N 1 1 348.244 2.965 10 10 EFCEMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825549985 1300468068 /nfs/dbraw/zinc/46/80/68/1300468068.db2.gz VHCUKFJGKVWQDR-ZIAGYGMSSA-N 1 1 341.835 2.897 10 10 EFCEMO COc1ccc(N2CC[C@H]([NH2+][C@H](Cc3ccccc3)[C@H](C)N)C2)cc1 ZINC000854218407 1300474472 /nfs/dbraw/zinc/47/44/72/1300474472.db2.gz WXRXGNWPJJRKLJ-DJPFJPOOSA-N 1 1 339.483 2.822 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000862486061 1302398508 /nfs/dbraw/zinc/39/85/08/1302398508.db2.gz UCKGWDJTGWQDMN-KRWDZBQOSA-N 1 1 338.404 2.730 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCO[C@@H](CCF)C2)c1O ZINC000863317734 1302585857 /nfs/dbraw/zinc/58/58/57/1302585857.db2.gz PBAQDVSQELIBFN-AWEZNQCLSA-N 1 1 347.386 2.892 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c1 ZINC000865694678 1303368105 /nfs/dbraw/zinc/36/81/05/1303368105.db2.gz KEKFPAOEZWDUIQ-MRMHNGOSSA-N 1 1 338.245 2.976 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)cc2)CC1 ZINC000865762609 1303389666 /nfs/dbraw/zinc/38/96/66/1303389666.db2.gz RMHOYJFINBMTIX-CTNGQTDRSA-N 1 1 343.515 2.733 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCC34CCOCC4)cc2)CC1 ZINC000865777833 1303396224 /nfs/dbraw/zinc/39/62/24/1303396224.db2.gz LXWYWSYPMRSMAK-LJQANCHMSA-N 1 1 343.515 2.735 10 10 EFCEMO C[N@H+]1CCCC12CCN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000930172048 1304279295 /nfs/dbraw/zinc/27/92/95/1304279295.db2.gz ZAJQZGMSLFHMBB-UHFFFAOYSA-N 1 1 329.488 2.583 10 10 EFCEMO C[C@H](NC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000868515381 1304335001 /nfs/dbraw/zinc/33/50/01/1304335001.db2.gz LJPCYPZWQMZGJS-LESCRADOSA-N 1 1 330.476 2.549 10 10 EFCEMO CCCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000902765710 1312087562 /nfs/dbraw/zinc/08/75/62/1312087562.db2.gz ADAOYNZEHNPDHD-CVEARBPZSA-N 1 1 343.475 2.937 10 10 EFCEMO C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cccc(C(F)(F)F)c1O ZINC000903214253 1312469001 /nfs/dbraw/zinc/46/90/01/1312469001.db2.gz TXTGYHOIJQOPJJ-MNOVXSKESA-N 1 1 330.350 2.930 10 10 EFCEMO COC1CCN(c2ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cc2)CC1 ZINC000827372944 1315979208 /nfs/dbraw/zinc/97/92/08/1315979208.db2.gz FNNVJCLFVRRJRI-UHFFFAOYSA-N 1 1 347.503 2.648 10 10 EFCEMO COC1CCN(c2ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc2)CC1 ZINC000827372944 1315979210 /nfs/dbraw/zinc/97/92/10/1315979210.db2.gz FNNVJCLFVRRJRI-UHFFFAOYSA-N 1 1 347.503 2.648 10 10 EFCEMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544797 1315997967 /nfs/dbraw/zinc/99/79/67/1315997967.db2.gz KXDWZZBAPPIOLZ-AWEZNQCLSA-N 1 1 325.840 2.542 10 10 EFCEMO CC[N@@H+](CCCNC(=O)c1ccc(N=NC(N)=O)cc1)CC(C)C ZINC001266115265 1317057337 /nfs/dbraw/zinc/05/73/37/1317057337.db2.gz YLODTWRWVQUHRB-UHFFFAOYSA-N 1 1 333.436 2.947 10 10 EFCEMO C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)[N@@H+](C)CC1CCC1 ZINC001282503649 1318975383 /nfs/dbraw/zinc/97/53/83/1318975383.db2.gz CPABWULPZOAQCM-GFCCVEGCSA-N 1 1 331.420 2.699 10 10 EFCEMO Cc1cc(CC(=O)N2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001293398365 1322243663 /nfs/dbraw/zinc/24/36/63/1322243663.db2.gz JPYZPODVYDZZDY-INIZCTEOSA-N 1 1 325.456 2.799 10 10 EFCEMO Cc1cc(CC(=O)N2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001293398365 1322243668 /nfs/dbraw/zinc/24/36/68/1322243668.db2.gz JPYZPODVYDZZDY-INIZCTEOSA-N 1 1 325.456 2.799 10 10 EFCEMO C[C@H](F)CC[N@@H+](C)CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001320091752 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ZINC000282493135 474085546 /nfs/dbraw/zinc/08/55/46/474085546.db2.gz RHAYIXXJWTUVIJ-IAQYHMDHSA-N 1 1 329.400 2.641 10 10 EFCEMO CCc1nc([C@H]2CN(Cc3cc(Cl)cc(C)c3O)CCO2)n[nH]1 ZINC000183416451 474378550 /nfs/dbraw/zinc/37/85/50/474378550.db2.gz ITJFYCOBDAEOOJ-CYBMUJFWSA-N 1 1 336.823 2.608 10 10 EFCEMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000266888493 474517770 /nfs/dbraw/zinc/51/77/70/474517770.db2.gz BZFGGUUZRVAYSV-HNNXBMFYSA-N 1 1 330.403 2.730 10 10 EFCEMO Cc1cc(C(=O)C[N@H+]2CC[C@H](CO)C2)c(C)n1-c1ccc(F)cc1 ZINC000266888493 474517780 /nfs/dbraw/zinc/51/77/80/474517780.db2.gz BZFGGUUZRVAYSV-HNNXBMFYSA-N 1 1 330.403 2.730 10 10 EFCEMO COc1cc(C)cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278310069 474606311 /nfs/dbraw/zinc/60/63/11/474606311.db2.gz DYGXBGSVZSBOKJ-UHFFFAOYSA-N 1 1 332.356 2.916 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278309916 474606661 /nfs/dbraw/zinc/60/66/61/474606661.db2.gz DWMAZQXCTSHGFG-CQSZACIVSA-N 1 1 332.356 2.522 10 10 EFCEMO COc1c(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533449 474685976 /nfs/dbraw/zinc/68/59/76/474685976.db2.gz VOFXJNSAEWGWKX-TZMCWYRMSA-N 1 1 338.404 2.538 10 10 EFCEMO COc1c(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000278533448 474686304 /nfs/dbraw/zinc/68/63/04/474686304.db2.gz VOFXJNSAEWGWKX-OCCSQVGLSA-N 1 1 338.404 2.538 10 10 EFCEMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c1 ZINC000273367687 474861259 /nfs/dbraw/zinc/86/12/59/474861259.db2.gz BUPCAHUINADAPQ-IAQYHMDHSA-N 1 1 333.409 2.580 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000278914218 474913437 /nfs/dbraw/zinc/91/34/37/474913437.db2.gz WAQKJJAVYSORLF-CYBMUJFWSA-N 1 1 333.428 2.772 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000273588519 474977598 /nfs/dbraw/zinc/97/75/98/474977598.db2.gz OPZOEVGDNKFGKR-CZUORRHYSA-N 1 1 329.396 2.606 10 10 EFCEMO CN(C)C(=O)CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293740030 475050576 /nfs/dbraw/zinc/05/05/76/475050576.db2.gz XDWDQSIOQLEUOB-UHFFFAOYSA-N 1 1 328.815 2.875 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000294633971 475076319 /nfs/dbraw/zinc/07/63/19/475076319.db2.gz JWPFARWAEGXLQL-ZBEGNZNMSA-N 1 1 343.826 2.842 10 10 EFCEMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000294763951 475081123 /nfs/dbraw/zinc/08/11/23/475081123.db2.gz IYSKZWCLDAWFGX-OAHLLOKOSA-N 1 1 344.484 2.627 10 10 EFCEMO Cc1cc(CN2CCN(Cc3cc(Cl)c(F)cc3O)CC2)no1 ZINC000294838746 475087224 /nfs/dbraw/zinc/08/72/24/475087224.db2.gz HSVFJKLAPVFEKK-UHFFFAOYSA-N 1 1 339.798 2.799 10 10 EFCEMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295172197 475108851 /nfs/dbraw/zinc/10/88/51/475108851.db2.gz UMQRKODYLRPFGT-UXHICEINSA-N 1 1 329.488 2.582 10 10 EFCEMO COc1c(O)c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1[N+](=O)[O-] ZINC000292757735 475185822 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EFCEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 ZINC000378373429 476703752 /nfs/dbraw/zinc/70/37/52/476703752.db2.gz CVHNKINRLCDPEW-LPHOPBHVSA-N 1 1 345.443 2.613 10 10 EFCEMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000376670743 477453657 /nfs/dbraw/zinc/45/36/57/477453657.db2.gz IMXDCWYCVRUOLH-HXUWFJFHSA-N 1 1 340.471 2.984 10 10 EFCEMO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086306 477783758 /nfs/dbraw/zinc/78/37/58/477783758.db2.gz PCFUHTDWWWOJIL-HZPDHXFCSA-N 1 1 344.386 2.721 10 10 EFCEMO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c(O)c1O ZINC000368086306 477783765 /nfs/dbraw/zinc/78/37/65/477783765.db2.gz PCFUHTDWWWOJIL-HZPDHXFCSA-N 1 1 344.386 2.721 10 10 EFCEMO CCN(CC)c1ccc(CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000171903026 528301220 /nfs/dbraw/zinc/30/12/20/528301220.db2.gz XNJNYPNOZJEWMU-GOSISDBHSA-N 1 1 330.476 2.522 10 10 EFCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cnn(CC)c3)C2)c1 ZINC000191709686 535752745 /nfs/dbraw/zinc/75/27/45/535752745.db2.gz CDTCDNQXHVVPHZ-SFHVURJKSA-N 1 1 331.416 2.581 10 10 EFCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3cnn(CC)c3)C2)c1 ZINC000191709686 535752749 /nfs/dbraw/zinc/75/27/49/535752749.db2.gz CDTCDNQXHVVPHZ-SFHVURJKSA-N 1 1 331.416 2.581 10 10 EFCEMO COc1cc(C)cc(C[NH+]2CCN(C(=O)OCC(C)C)CC2)c1O ZINC000754730445 575479357 /nfs/dbraw/zinc/47/93/57/575479357.db2.gz OQPAGGCLLGGYTF-UHFFFAOYSA-N 1 1 336.432 2.619 10 10 EFCEMO CC[S@](=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756576925 575764954 /nfs/dbraw/zinc/76/49/54/575764954.db2.gz PLQSKWMBMZYOOL-CVJBHZAOSA-N 1 1 338.242 2.713 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)c2sccc2C)c1 ZINC000756736607 575782420 /nfs/dbraw/zinc/78/24/20/575782420.db2.gz ORVBDIUPNCGANH-SMDDNHRTSA-N 1 1 335.425 2.933 10 10 EFCEMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)CS(C)(=O)=O)cc1 ZINC000757798205 575853279 /nfs/dbraw/zinc/85/32/79/575853279.db2.gz CVQDWUQZFDEMJC-OAHLLOKOSA-N 1 1 326.506 2.645 10 10 EFCEMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)CS(C)(=O)=O)cc1 ZINC000757798203 575853337 /nfs/dbraw/zinc/85/33/37/575853337.db2.gz CVQDWUQZFDEMJC-HNNXBMFYSA-N 1 1 326.506 2.645 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+]C2COC(C)(C)OC2)c1 ZINC000758010902 575857960 /nfs/dbraw/zinc/85/79/60/575857960.db2.gz WBFPCAYGZDSMTB-UHFFFAOYSA-N 1 1 330.222 2.704 10 10 EFCEMO COc1ccc2ccc(O)c(C[N@H+]3CCN4C(=O)OCC[C@H]4C3)c2c1 ZINC000763313784 576372126 /nfs/dbraw/zinc/37/21/26/576372126.db2.gz JWLATWUEWKAYCN-AWEZNQCLSA-N 1 1 342.395 2.581 10 10 EFCEMO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462627 577275877 /nfs/dbraw/zinc/27/58/77/577275877.db2.gz ASYUYPWJGVAKQR-OAHLLOKOSA-N 1 1 346.452 2.785 10 10 EFCEMO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462627 577275880 /nfs/dbraw/zinc/27/58/80/577275880.db2.gz ASYUYPWJGVAKQR-OAHLLOKOSA-N 1 1 346.452 2.785 10 10 EFCEMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768464040 577275949 /nfs/dbraw/zinc/27/59/49/577275949.db2.gz MTBCDYWWTMNZLM-UYAOXDASSA-N 1 1 325.408 2.982 10 10 EFCEMO CCN1CC[C@H]([N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482783 577365861 /nfs/dbraw/zinc/36/58/61/577365861.db2.gz FFOSSBOWASVATL-LPHOPBHVSA-N 1 1 349.494 2.824 10 10 EFCEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482783 577365862 /nfs/dbraw/zinc/36/58/62/577365862.db2.gz FFOSSBOWASVATL-LPHOPBHVSA-N 1 1 349.494 2.824 10 10 EFCEMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482783 577365864 /nfs/dbraw/zinc/36/58/64/577365864.db2.gz FFOSSBOWASVATL-LPHOPBHVSA-N 1 1 349.494 2.824 10 10 EFCEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000769482783 577365866 /nfs/dbraw/zinc/36/58/66/577365866.db2.gz FFOSSBOWASVATL-LPHOPBHVSA-N 1 1 349.494 2.824 10 10 EFCEMO CCCN(CCC)c1ccc(C[N@@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000769482645 577366017 /nfs/dbraw/zinc/36/60/17/577366017.db2.gz FHMUCVQKFXACDH-GOSISDBHSA-N 1 1 331.460 2.949 10 10 EFCEMO CCCN(CCC)c1ccc(C[N@H+]2CCN3C(=O)OC[C@H]3C2)cc1 ZINC000769482645 577366018 /nfs/dbraw/zinc/36/60/18/577366018.db2.gz FHMUCVQKFXACDH-GOSISDBHSA-N 1 1 331.460 2.949 10 10 EFCEMO COCCOC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769662356 577377247 /nfs/dbraw/zinc/37/72/47/577377247.db2.gz AAIGTYSLUOHJBH-UHFFFAOYSA-N 1 1 330.428 2.597 10 10 EFCEMO COCCCOC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769664106 577377312 /nfs/dbraw/zinc/37/73/12/577377312.db2.gz WSPYKPNTMAIWCM-UHFFFAOYSA-N 1 1 344.455 2.988 10 10 EFCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770374333 577413476 /nfs/dbraw/zinc/41/34/76/577413476.db2.gz LTOBTJLPCDLLGF-RBUKOAKNSA-N 1 1 330.472 2.772 10 10 EFCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770374331 577413508 /nfs/dbraw/zinc/41/35/08/577413508.db2.gz LTOBTJLPCDLLGF-MOPGFXCFSA-N 1 1 330.472 2.772 10 10 EFCEMO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771844291 581249938 /nfs/dbraw/zinc/24/99/38/581249938.db2.gz YCYFEJRDVAAMLN-FQEVSTJZSA-N 1 1 333.520 2.715 10 10 EFCEMO C[C@H](NC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773216704 581406259 /nfs/dbraw/zinc/40/62/59/581406259.db2.gz BJJQSKBABKHEBF-CVEARBPZSA-N 1 1 332.492 2.987 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)ccc1[N+](=O)[O-] ZINC000774963783 581505267 /nfs/dbraw/zinc/50/52/67/581505267.db2.gz KKGHVLCAJKWTQR-JTQLQIEISA-N 1 1 346.339 2.889 10 10 EFCEMO c1c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)nn2c1CCC2 ZINC000850034821 1250234516 /nfs/dbraw/zinc/23/45/16/1250234516.db2.gz QOIKWGWMZSOYAS-UHFFFAOYSA-N 1 1 328.485 2.672 10 10 EFCEMO C[C@@H]([NH2+]Cc1cn(C2CCC2)nn1)c1ccc(N2CCOCC2)cc1 ZINC000850076809 1250265706 /nfs/dbraw/zinc/26/57/06/1250265706.db2.gz DCBXJTBJUYDKBR-OAHLLOKOSA-N 1 1 341.459 2.691 10 10 EFCEMO C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1[O-] ZINC000850509706 1250515888 /nfs/dbraw/zinc/51/58/88/1250515888.db2.gz RCJXAQHWMMNKTR-KBXCAEBGSA-N 1 1 344.430 2.949 10 10 EFCEMO COc1ccc(N2CCC[N@@H+](CCO[C@H]3CC3(F)F)CC2)cc1 ZINC000851733202 1251232940 /nfs/dbraw/zinc/23/29/40/1251232940.db2.gz NBPQPTJBWSKXHF-INIZCTEOSA-N 1 1 326.387 2.632 10 10 EFCEMO CN(C)c1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1F ZINC000921623259 1257778541 /nfs/dbraw/zinc/77/85/41/1257778541.db2.gz IWQQEIBRQSZGDD-UHFFFAOYSA-N 1 1 327.201 2.667 10 10 EFCEMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584539 1278198391 /nfs/dbraw/zinc/19/83/91/1278198391.db2.gz OJISEOGWCONCOX-SWLSCSKDSA-N 1 1 343.393 2.642 10 10 EFCEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584539 1278198400 /nfs/dbraw/zinc/19/84/00/1278198400.db2.gz OJISEOGWCONCOX-SWLSCSKDSA-N 1 1 343.393 2.642 10 10 EFCEMO C[C@@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1C[NH3+] ZINC000715769570 1264919729 /nfs/dbraw/zinc/91/97/29/1264919729.db2.gz LZZIRNMDTVCAMQ-MWLCHTKSSA-N 1 1 331.229 2.711 10 10 EFCEMO Cc1cc(Br)cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1O ZINC000824726402 1278264878 /nfs/dbraw/zinc/26/48/78/1278264878.db2.gz LPGJQSAHYTXHNJ-ZDUSSCGKSA-N 1 1 336.176 2.665 10 10 EFCEMO Oc1c(Br)cccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000738440020 1268462799 /nfs/dbraw/zinc/46/27/99/1268462799.db2.gz KCVKREMHIBNMFL-UHFFFAOYSA-N 1 1 348.240 2.774 10 10 EFCEMO [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124756 1278419316 /nfs/dbraw/zinc/41/93/16/1278419316.db2.gz XJYJZLMNMPKLLG-KRTXAFLBSA-N 1 1 327.705 2.930 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124756 1278419348 /nfs/dbraw/zinc/41/93/48/1278419348.db2.gz XJYJZLMNMPKLLG-KRTXAFLBSA-N 1 1 327.705 2.930 10 10 EFCEMO Cc1cc(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000740864233 1269140660 /nfs/dbraw/zinc/14/06/60/1269140660.db2.gz ALMVYOWKIYJFJS-AWEZNQCLSA-N 1 1 339.501 2.865 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)nc1 ZINC000825305088 1278498304 /nfs/dbraw/zinc/49/83/04/1278498304.db2.gz CPZBAGHMMAXUIY-UHFFFAOYSA-N 1 1 333.819 2.771 10 10 EFCEMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)cc2C)[C@@H](C)C1 ZINC000746329027 1272044662 /nfs/dbraw/zinc/04/46/62/1272044662.db2.gz BOWBTYNOVVXXPQ-LPHOPBHVSA-N 1 1 346.519 2.933 10 10 EFCEMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000844271479 1278844345 /nfs/dbraw/zinc/84/43/45/1278844345.db2.gz QJGBTYLPFXWBGR-GOSISDBHSA-N 1 1 331.460 2.948 10 10 EFCEMO COCC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@H]1CCOC1 ZINC000787335503 1275748674 /nfs/dbraw/zinc/74/86/74/1275748674.db2.gz SWMVMQIWRXGXBB-AWEZNQCLSA-N 1 1 344.249 2.700 10 10 EFCEMO COCC[N@@H+](Cc1scnc1C)Cc1cc2c(cc1O)OCO2 ZINC000787310216 1275753488 /nfs/dbraw/zinc/75/34/88/1275753488.db2.gz NPOBSNZVGFLIKA-UHFFFAOYSA-N 1 1 336.413 2.534 10 10 EFCEMO O=C(NCc1ccccc1O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000787446903 1275781793 /nfs/dbraw/zinc/78/17/93/1275781793.db2.gz TXPMSBGVEHGOFV-UHFFFAOYSA-N 1 1 344.321 2.841 10 10 EFCEMO CC[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccccc1O ZINC000788606566 1276238233 /nfs/dbraw/zinc/23/82/33/1276238233.db2.gz AEIIORRFBVWPQE-GOSISDBHSA-N 1 1 339.439 2.799 10 10 EFCEMO CC[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccccc1O ZINC000788606566 1276238237 /nfs/dbraw/zinc/23/82/37/1276238237.db2.gz AEIIORRFBVWPQE-GOSISDBHSA-N 1 1 339.439 2.799 10 10 EFCEMO N[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903118 1276367645 /nfs/dbraw/zinc/36/76/45/1276367645.db2.gz ICEWUWGNVHMRLN-HZPDHXFCSA-N 1 1 325.403 2.726 10 10 EFCEMO Cc1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1N(C)C ZINC000815054626 1287270792 /nfs/dbraw/zinc/27/07/92/1287270792.db2.gz JQSCRDGVZSWVAV-LJQANCHMSA-N 1 1 331.504 2.748 10 10 EFCEMO Cc1cc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1N(C)C ZINC000815041918 1287284002 /nfs/dbraw/zinc/28/40/02/1287284002.db2.gz FQJWWEKFZOSXIN-HXUWFJFHSA-N 1 1 344.547 2.663 10 10 EFCEMO Cc1nocc1CNCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000815132866 1287337990 /nfs/dbraw/zinc/33/79/90/1287337990.db2.gz AQSOOTWSRWLSPJ-UHFFFAOYSA-N 1 1 340.471 2.805 10 10 EFCEMO Cc1ccncc1C[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793339746 1279559693 /nfs/dbraw/zinc/55/96/93/1279559693.db2.gz MECCRZKNXWYOPC-UHFFFAOYSA-N 1 1 329.419 2.998 10 10 EFCEMO CCO[C@@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@H]1n1cccn1 ZINC000815166306 1287361897 /nfs/dbraw/zinc/36/18/97/1287361897.db2.gz AHUPWXMXGQWKIX-JGGQBBKZSA-N 1 1 339.798 2.890 10 10 EFCEMO CC[N@@H+](Cc1cc(OC)ccc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC000793603547 1279765897 /nfs/dbraw/zinc/76/58/97/1279765897.db2.gz BHHGPSPHZZMWBW-UHFFFAOYSA-N 1 1 336.432 2.842 10 10 EFCEMO CN1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3CCO)cc2)CC1 ZINC000793610954 1279774069 /nfs/dbraw/zinc/77/40/69/1279774069.db2.gz ZMYVPQWPUIVPIJ-IBGZPJMESA-N 1 1 331.504 2.565 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3CCO)cc2)CC1 ZINC000793610954 1279774072 /nfs/dbraw/zinc/77/40/72/1279774072.db2.gz ZMYVPQWPUIVPIJ-IBGZPJMESA-N 1 1 331.504 2.565 10 10 EFCEMO COc1cccc([C@H](C)[NH2+]Cc2nn(C)cc2Br)c1O ZINC000846167730 1280045380 /nfs/dbraw/zinc/04/53/80/1280045380.db2.gz CJHOYJJGOCMVBB-VIFPVBQESA-N 1 1 340.221 2.748 10 10 EFCEMO C[N@@H+]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805184491 1280472791 /nfs/dbraw/zinc/47/27/91/1280472791.db2.gz NYSQRIDNVHPETQ-NSHDSACASA-N 1 1 332.231 2.592 10 10 EFCEMO C[N@H+]1CCC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805184491 1280472800 /nfs/dbraw/zinc/47/28/00/1280472800.db2.gz NYSQRIDNVHPETQ-NSHDSACASA-N 1 1 332.231 2.592 10 10 EFCEMO C[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805184489 1280473096 /nfs/dbraw/zinc/47/30/96/1280473096.db2.gz NYSQRIDNVHPETQ-LLVKDONJSA-N 1 1 332.231 2.592 10 10 EFCEMO C[N@H+]1CCC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000805184489 1280473100 /nfs/dbraw/zinc/47/31/00/1280473100.db2.gz NYSQRIDNVHPETQ-LLVKDONJSA-N 1 1 332.231 2.592 10 10 EFCEMO CN(C)c1ccc(CNC(=O)C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC001171332319 1281559691 /nfs/dbraw/zinc/55/96/91/1281559691.db2.gz OHKFMKBAKFTWKL-GOSISDBHSA-N 1 1 329.488 2.881 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000808730598 1281885140 /nfs/dbraw/zinc/88/51/40/1281885140.db2.gz YPBFZMXQBKLLLP-ABAIWWIYSA-N 1 1 345.370 2.972 10 10 EFCEMO c1ccc(CN2CCc3cc(CN4C[C@H]5C[NH2+]C[C@@H]5C4)ccc32)cc1 ZINC000809595235 1282331736 /nfs/dbraw/zinc/33/17/36/1282331736.db2.gz HVGZLIYXSWITAS-NHCUHLMSSA-N 1 1 333.479 2.901 10 10 EFCEMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000809690209 1282374840 /nfs/dbraw/zinc/37/48/40/1282374840.db2.gz KIQWWJIYLXWSNE-LLVKDONJSA-N 1 1 348.340 2.812 10 10 EFCEMO COc1ccc(O)c([C@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810347969 1283169147 /nfs/dbraw/zinc/16/91/47/1283169147.db2.gz OVVXSSVTRRYCCB-KPZWWZAWSA-N 1 1 338.423 2.791 10 10 EFCEMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812778961 1285411951 /nfs/dbraw/zinc/41/19/51/1285411951.db2.gz RVZBTDXUPOKBAM-KRWDZBQOSA-N 1 1 333.432 2.930 10 10 EFCEMO Cc1cc(Br)cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c1O ZINC000814173938 1286356654 /nfs/dbraw/zinc/35/66/54/1286356654.db2.gz TVLSHHXTNPVXSL-FZMZJTMJSA-N 1 1 325.250 2.599 10 10 EFCEMO CN1CCN(c2ccc(C[N@@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)cc2)CC1 ZINC000814169690 1286373965 /nfs/dbraw/zinc/37/39/65/1286373965.db2.gz LUKRZYVTTPUKOE-ZWKOTPCHSA-N 1 1 335.442 2.916 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CC[C@]4(C)[C@H](C3)C4(F)F)cc2)CC1 ZINC000814169690 1286373974 /nfs/dbraw/zinc/37/39/74/1286373974.db2.gz LUKRZYVTTPUKOE-ZWKOTPCHSA-N 1 1 335.442 2.916 10 10 EFCEMO CCn1nc2c(cc1=O)C[N@H+](Cc1ccc3ccccc3c1O)CC2 ZINC000816516766 1288186124 /nfs/dbraw/zinc/18/61/24/1288186124.db2.gz PPGKUYJVYOUYQN-UHFFFAOYSA-N 1 1 335.407 2.680 10 10 EFCEMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@H]1n1cccn1 ZINC000816673431 1288239550 /nfs/dbraw/zinc/23/95/50/1288239550.db2.gz YTGRAYQVUGAWNJ-NUEKZKHPSA-N 1 1 339.798 2.890 10 10 EFCEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000817415283 1288591550 /nfs/dbraw/zinc/59/15/50/1288591550.db2.gz QFKFMDNDMJXZDI-HXUWFJFHSA-N 1 1 349.478 2.817 10 10 EFCEMO COc1cc(Br)cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1O ZINC000817413845 1288591842 /nfs/dbraw/zinc/59/18/42/1288591842.db2.gz BGXJROCPHLJSEC-SKDRFNHKSA-N 1 1 330.222 2.509 10 10 EFCEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414331 1288592091 /nfs/dbraw/zinc/59/20/91/1288592091.db2.gz FMYKPIIOGUYZHH-MRXNPFEDSA-N 1 1 343.496 2.952 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)CO ZINC000817417842 1288594130 /nfs/dbraw/zinc/59/41/30/1288594130.db2.gz SRITZUMTGDGTIP-GOSISDBHSA-N 1 1 345.439 2.535 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)cc1 ZINC000824451090 1289655140 /nfs/dbraw/zinc/65/51/40/1289655140.db2.gz HBQJLVLNAZBXTE-KRWDZBQOSA-N 1 1 331.460 2.807 10 10 EFCEMO Oc1ccccc1C[N@H+](Cc1cnn2c1CCC2)C[C@H]1CCCO1 ZINC000824509534 1289693227 /nfs/dbraw/zinc/69/32/27/1289693227.db2.gz ZZZBHJGSQJTVDJ-QGZVFWFLSA-N 1 1 327.428 2.716 10 10 EFCEMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(Br)cc(OC)c1O ZINC000824635355 1289732063 /nfs/dbraw/zinc/73/20/63/1289732063.db2.gz HKLBZGPCZKMHJN-GXFFZTMASA-N 1 1 344.249 2.756 10 10 EFCEMO COc1cccc(O)c1C[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824637212 1289734298 /nfs/dbraw/zinc/73/42/98/1289734298.db2.gz WSJPWRWUZAZYSJ-QFBILLFUSA-N 1 1 331.387 2.701 10 10 EFCEMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@]4(CCCOC4)C3)c2c1 ZINC000795633707 1290706374 /nfs/dbraw/zinc/70/63/74/1290706374.db2.gz UUNDMLVKLQLJGN-FQEVSTJZSA-N 1 1 343.423 2.935 10 10 EFCEMO COC(=O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000092643833 1290797953 /nfs/dbraw/zinc/79/79/53/1290797953.db2.gz FJQVOTAKIAYJOK-NSHDSACASA-N 1 1 328.206 2.540 10 10 EFCEMO COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000092643833 1290797957 /nfs/dbraw/zinc/79/79/57/1290797957.db2.gz FJQVOTAKIAYJOK-NSHDSACASA-N 1 1 328.206 2.540 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000775096883 1291116174 /nfs/dbraw/zinc/11/61/74/1291116174.db2.gz FFZJBYFSTOIUBY-QGZVFWFLSA-N 1 1 338.404 2.730 10 10 EFCEMO COCCCOC1C[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)C1 ZINC000826113464 1292204873 /nfs/dbraw/zinc/20/48/73/1292204873.db2.gz MHRQRHFSWBNYQE-UHFFFAOYSA-N 1 1 337.460 2.936 10 10 EFCEMO C[C@@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000775408290 1292298510 /nfs/dbraw/zinc/29/85/10/1292298510.db2.gz YLQGECJJJMUJKO-CQSZACIVSA-N 1 1 326.444 2.705 10 10 EFCEMO CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)C1(C)C ZINC001191165876 1292487307 /nfs/dbraw/zinc/48/73/07/1292487307.db2.gz YWZYXLHZOTYIHF-ROUUACIJSA-N 1 1 347.503 2.504 10 10 EFCEMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@]12CCC[C@H]1OCC2 ZINC001198791816 1295260469 /nfs/dbraw/zinc/26/04/69/1295260469.db2.gz ZQGIYHCKQJCSNH-WOJBJXKFSA-N 1 1 330.472 2.914 10 10 EFCEMO COc1c(C)[nH]cc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)c1=O ZINC000931328526 1297329065 /nfs/dbraw/zinc/32/90/65/1297329065.db2.gz RXJGNFNIJHNFBA-UHFFFAOYSA-N 1 1 329.444 2.698 10 10 EFCEMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCO[C@@H](C)C1 ZINC000779012932 1297742881 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337.895 2.920 10 10 EFCEMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1Cl ZINC000903301402 1312551583 /nfs/dbraw/zinc/55/15/83/1312551583.db2.gz QNPHXWJKJYJJPG-PMUMKWKESA-N 1 1 337.895 2.920 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3cnc4cc(C)ccn34)CC2)cc1 ZINC000179530320 1314704972 /nfs/dbraw/zinc/70/49/72/1314704972.db2.gz UCIGSIKQEUTATA-UHFFFAOYSA-N 1 1 336.439 2.974 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3cnc4ccc(C)cn34)CC2)cc1 ZINC000179531207 1314705484 /nfs/dbraw/zinc/70/54/84/1314705484.db2.gz QZWSTHUPJKDTRD-UHFFFAOYSA-N 1 1 336.439 2.974 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC4(F)F)C3)cc2F)CC1 ZINC001261514413 1316416388 /nfs/dbraw/zinc/41/63/88/1316416388.db2.gz AQMCREHWWVMQGM-QGZVFWFLSA-N 1 1 339.405 2.809 10 10 EFCEMO Cc1nnc(N(C)Cc2ccccc2O)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001290719508 1321944785 /nfs/dbraw/zinc/94/47/85/1321944785.db2.gz VOXXVSYAEPOYJM-HNNXBMFYSA-N 1 1 343.475 2.660 10 10 EFCEMO CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001320395180 1329123775 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COC(=O)c1c(C[NH2+]CC2(N(C)C)CCC2)c2cc(F)ccc2n1C ZINC001332706657 1331005880 /nfs/dbraw/zinc/00/58/80/1331005880.db2.gz GFVPKWKCJGFPKP-UHFFFAOYSA-N 1 1 347.434 2.678 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001333734558 1331204051 /nfs/dbraw/zinc/20/40/51/1331204051.db2.gz PCUAYGIQELDKME-LLVKDONJSA-N 1 1 329.799 2.548 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC001333734558 1331204057 /nfs/dbraw/zinc/20/40/57/1331204057.db2.gz PCUAYGIQELDKME-LLVKDONJSA-N 1 1 329.799 2.548 10 10 EFCEMO CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001346792964 1332689309 /nfs/dbraw/zinc/68/93/09/1332689309.db2.gz URUXSORFJTVLRN-HYVNUMGLSA-N 1 1 331.460 2.654 10 10 EFCEMO C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCSc3nccs3)C[N@H+]2C1 ZINC001347650176 1332763059 /nfs/dbraw/zinc/76/30/59/1332763059.db2.gz KIHQOAJPQGBUQV-RDBSUJKOSA-N 1 1 339.530 2.862 10 10 EFCEMO C[C@H]1C[C@@H](C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001349116859 1332906872 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FUTOYYXADGFJQK-CTNGQTDRSA-N 1 1 338.451 2.964 10 10 EFCEMO C[C@@H](CS(C)(=O)=O)N(Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000295233665 475114999 /nfs/dbraw/zinc/11/49/99/475114999.db2.gz DDWSLSYKXCERKR-VIFPVBQESA-N 1 1 335.828 2.582 10 10 EFCEMO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375285666 476757529 /nfs/dbraw/zinc/75/75/29/476757529.db2.gz DSPHGXKJGLEOJT-LJQANCHMSA-N 1 1 325.408 2.928 10 10 EFCEMO Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000371443190 477322159 /nfs/dbraw/zinc/32/21/59/477322159.db2.gz OIFHCXJJNIJDNA-KRWDZBQOSA-N 1 1 329.444 2.933 10 10 EFCEMO Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000371443190 477322162 /nfs/dbraw/zinc/32/21/62/477322162.db2.gz OIFHCXJJNIJDNA-KRWDZBQOSA-N 1 1 329.444 2.933 10 10 EFCEMO COC[C@@H](C)NC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000436052409 477413157 /nfs/dbraw/zinc/41/31/57/477413157.db2.gz PRWPJXQBNJRDLQ-OAHLLOKOSA-N 1 1 343.471 2.559 10 10 EFCEMO COc1cccc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000368051860 477782471 /nfs/dbraw/zinc/78/24/71/477782471.db2.gz QPNDOEGBODOBCW-OAHLLOKOSA-N 1 1 332.400 2.797 10 10 EFCEMO COc1cc(O)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1OC ZINC000368059372 477783249 /nfs/dbraw/zinc/78/32/49/477783249.db2.gz KEBOUOLLEYNNLH-HNNXBMFYSA-N 1 1 328.412 2.869 10 10 EFCEMO CCn1ncc(C[NH2+][C@H](C)c2cc(Br)ccc2O)n1 ZINC000527923592 478573406 /nfs/dbraw/zinc/57/34/06/478573406.db2.gz LTORVJDUPZKCCO-SECBINFHSA-N 1 1 325.210 2.617 10 10 EFCEMO COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528286126 478706201 /nfs/dbraw/zinc/70/62/01/478706201.db2.gz FPUBTWNLOOHMIE-HIFRSBDPSA-N 1 1 347.459 2.778 10 10 EFCEMO O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528292760 478712410 /nfs/dbraw/zinc/71/24/10/478712410.db2.gz GSIOKDHJUJVRNG-OAHLLOKOSA-N 1 1 337.851 2.862 10 10 EFCEMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000529676713 479245554 /nfs/dbraw/zinc/24/55/54/479245554.db2.gz SZEZKVAURFRPMG-KGLIPLIRSA-N 1 1 329.849 2.506 10 10 EFCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccncc2)C1 ZINC000557659083 479299766 /nfs/dbraw/zinc/29/97/66/479299766.db2.gz SDCLVHDRCWUZJQ-UHFFFAOYSA-N 1 1 348.450 2.863 10 10 EFCEMO CC(C)Oc1ccc(N(C)C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)cc1 ZINC000662808465 481979693 /nfs/dbraw/zinc/97/96/93/481979693.db2.gz ANLOQEDLQPYNCM-ZDUSSCGKSA-N 1 1 328.416 2.550 10 10 EFCEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000184054561 529305932 /nfs/dbraw/zinc/30/59/32/529305932.db2.gz FVGHXKLKLOFSPL-AZUAARDMSA-N 1 1 329.488 2.582 10 10 EFCEMO COC1CCN(c2ccc(C[NH+]3CCN(C4CC4)CC3)cc2)CC1 ZINC000295448982 536756429 /nfs/dbraw/zinc/75/64/29/536756429.db2.gz GZAUIZCGYAOVNM-UHFFFAOYSA-N 1 1 329.488 2.582 10 10 EFCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2cnccn2)C1 ZINC000683439516 549900239 /nfs/dbraw/zinc/90/02/39/549900239.db2.gz QJBZKDNVOZBWLX-UHFFFAOYSA-N 1 1 349.438 2.837 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCOC[C@@H](C)C2)c1O ZINC000753992938 575372428 /nfs/dbraw/zinc/37/24/28/575372428.db2.gz MSUQYOHTCFIJJE-ZDUSSCGKSA-N 1 1 329.396 2.800 10 10 EFCEMO COc1cc(C)cc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000754723432 575477319 /nfs/dbraw/zinc/47/73/19/575477319.db2.gz SGJOILAJIQHZTR-UHFFFAOYSA-N 1 1 346.471 2.934 10 10 EFCEMO COc1cc(C)cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1O ZINC000754722492 575477417 /nfs/dbraw/zinc/47/74/17/575477417.db2.gz IQLLHGFINAWUJT-QGZVFWFLSA-N 1 1 340.423 2.772 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3O2)c1 ZINC000756350792 575721611 /nfs/dbraw/zinc/72/16/11/575721611.db2.gz FVSAHNZCPRKRQT-OCCSQVGLSA-N 1 1 343.379 2.669 10 10 EFCEMO C[C@H]([NH2+]Cc1ccnn1C)c1cc(Br)c(F)cc1O ZINC000756400303 575731199 /nfs/dbraw/zinc/73/11/99/575731199.db2.gz JLOTVJHKFSRENK-QMMMGPOBSA-N 1 1 328.185 2.878 10 10 EFCEMO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(Br)c(F)cc1O ZINC000756448778 575741538 /nfs/dbraw/zinc/74/15/38/575741538.db2.gz FYDVGUNTEJWHEB-FWOIEVBISA-N 1 1 346.118 2.868 10 10 EFCEMO CCCN(CCC)c1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1 ZINC000757930352 575856073 /nfs/dbraw/zinc/85/60/73/575856073.db2.gz NSYODGOZGLLDPU-FQEVSTJZSA-N 1 1 331.504 2.829 10 10 EFCEMO Cn1ccc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000765787288 577077066 /nfs/dbraw/zinc/07/70/66/577077066.db2.gz KLBCWJREMPIQAS-UHFFFAOYSA-N 1 1 329.404 2.608 10 10 EFCEMO CN(Cc1cc2c(cc1O)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000768245565 577262673 /nfs/dbraw/zinc/26/26/73/577262673.db2.gz SZNWCMRUUKDPEY-QGZVFWFLSA-N 1 1 340.423 2.827 10 10 EFCEMO C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000768245565 577262675 /nfs/dbraw/zinc/26/26/75/577262675.db2.gz SZNWCMRUUKDPEY-QGZVFWFLSA-N 1 1 340.423 2.827 10 10 EFCEMO C[N@@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000768245565 577262678 /nfs/dbraw/zinc/26/26/78/577262678.db2.gz SZNWCMRUUKDPEY-QGZVFWFLSA-N 1 1 340.423 2.827 10 10 EFCEMO CCOc1ccc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)c(O)c1 ZINC000768252805 577263247 /nfs/dbraw/zinc/26/32/47/577263247.db2.gz QNVXINGCEJAKSM-UHFFFAOYSA-N 1 1 334.460 2.871 10 10 EFCEMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000768892823 577314703 /nfs/dbraw/zinc/31/47/03/577314703.db2.gz MJIMZLALDCEYOH-SFHVURJKSA-N 1 1 340.467 2.906 10 10 EFCEMO COc1cccc(O)c1C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000769328976 577352671 /nfs/dbraw/zinc/35/26/71/577352671.db2.gz IMYCGTQLHGKYJV-INIZCTEOSA-N 1 1 326.396 2.638 10 10 EFCEMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000769328976 577352672 /nfs/dbraw/zinc/35/26/72/577352672.db2.gz IMYCGTQLHGKYJV-INIZCTEOSA-N 1 1 326.396 2.638 10 10 EFCEMO COc1cccc([C@H]2C[N@H+](Cc3c(O)cccc3OC)CCO2)c1 ZINC000769332349 577352865 /nfs/dbraw/zinc/35/28/65/577352865.db2.gz MNBSSEYTDBPKSU-LJQANCHMSA-N 1 1 329.396 2.983 10 10 EFCEMO COc1cccc([C@H]2C[N@@H+](Cc3c(O)cccc3OC)CCO2)c1 ZINC000769332349 577352867 /nfs/dbraw/zinc/35/28/67/577352867.db2.gz MNBSSEYTDBPKSU-LJQANCHMSA-N 1 1 329.396 2.983 10 10 EFCEMO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000769414412 577360840 /nfs/dbraw/zinc/36/08/40/577360840.db2.gz USEUNULFHCPURZ-MRXNPFEDSA-N 1 1 344.386 2.777 10 10 EFCEMO COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000769414412 577360841 /nfs/dbraw/zinc/36/08/41/577360841.db2.gz USEUNULFHCPURZ-MRXNPFEDSA-N 1 1 344.386 2.777 10 10 EFCEMO CC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769664563 577377575 /nfs/dbraw/zinc/37/75/75/577377575.db2.gz IAPWOHHXDGFKPX-HNNXBMFYSA-N 1 1 342.439 2.929 10 10 EFCEMO CC(=O)[C@H](C)OC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664563 577377577 /nfs/dbraw/zinc/37/75/77/577377577.db2.gz IAPWOHHXDGFKPX-HNNXBMFYSA-N 1 1 342.439 2.929 10 10 EFCEMO CCC[C@H]1CN(Cc2cc(OCC)ccc2O)CC[N@H+]1CCOC ZINC000770282842 577409850 /nfs/dbraw/zinc/40/98/50/577409850.db2.gz HQSIUFLEPGTNRQ-KRWDZBQOSA-N 1 1 336.476 2.724 10 10 EFCEMO CCC[C@H]1C[N@H+](Cc2cc(OCC)ccc2O)CCN1CCOC ZINC000770282842 577409851 /nfs/dbraw/zinc/40/98/51/577409851.db2.gz HQSIUFLEPGTNRQ-KRWDZBQOSA-N 1 1 336.476 2.724 10 10 EFCEMO CCC[C@H]1C[N@@H+](Cc2cc(OCC)ccc2O)CCN1CCOC ZINC000770282842 577409852 /nfs/dbraw/zinc/40/98/52/577409852.db2.gz HQSIUFLEPGTNRQ-KRWDZBQOSA-N 1 1 336.476 2.724 10 10 EFCEMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000770374332 577413554 /nfs/dbraw/zinc/41/35/54/577413554.db2.gz LTOBTJLPCDLLGF-OALUTQOASA-N 1 1 330.472 2.772 10 10 EFCEMO CCN(C)c1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000773758537 581462306 /nfs/dbraw/zinc/46/23/06/581462306.db2.gz VAMMPKXBJBDSNL-NRFANRHFSA-N 1 1 344.547 2.745 10 10 EFCEMO CCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[N@@H+]1CC ZINC001709039189 1248817846 /nfs/dbraw/zinc/81/78/46/1248817846.db2.gz ZVDDFKBWVCMRTO-MRXNPFEDSA-N 1 1 343.475 2.667 10 10 EFCEMO CO[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1O)[C@@H]1CCOC1 ZINC000850343488 1250438388 /nfs/dbraw/zinc/43/83/88/1250438388.db2.gz UCXIGWSHWPQEHC-RISCZKNCSA-N 1 1 344.249 2.604 10 10 EFCEMO COC[C@@H](CC[NH2+]Cc1cc(C)cc(Br)c1O)OC ZINC000850345805 1250442246 /nfs/dbraw/zinc/44/22/46/1250442246.db2.gz KXOUFXNSYCDDMB-GFCCVEGCSA-N 1 1 332.238 2.604 10 10 EFCEMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357772 1250448299 /nfs/dbraw/zinc/44/82/99/1250448299.db2.gz UZQFYQAEFNMBLM-MRXNPFEDSA-N 1 1 346.858 2.902 10 10 EFCEMO [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357772 1250448303 /nfs/dbraw/zinc/44/83/03/1250448303.db2.gz UZQFYQAEFNMBLM-MRXNPFEDSA-N 1 1 346.858 2.902 10 10 EFCEMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000850498787 1250508444 /nfs/dbraw/zinc/50/84/44/1250508444.db2.gz DEGKVVXBGZDQNQ-HEHGZKQESA-N 1 1 345.422 2.610 10 10 EFCEMO C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)c1cc(F)cc(F)c1O ZINC000850500745 1250510914 /nfs/dbraw/zinc/51/09/14/1250510914.db2.gz IZUXSRXSLCMHCJ-BMIGLBTASA-N 1 1 332.350 2.909 10 10 EFCEMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)c1 ZINC000850531182 1250525659 /nfs/dbraw/zinc/52/56/59/1250525659.db2.gz CNUXFKCZOBXEOD-HQQWDMGQSA-N 1 1 341.354 2.644 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000850566898 1250538739 /nfs/dbraw/zinc/53/87/39/1250538739.db2.gz UDUOIKIWPDYKOH-NSHDSACASA-N 1 1 343.370 2.770 10 10 EFCEMO COc1ccc(N2CCC[N@@H+](CCO[C@@H]3CC3(F)F)CC2)cc1 ZINC000851733203 1251232997 /nfs/dbraw/zinc/23/29/97/1251232997.db2.gz NBPQPTJBWSKXHF-MRXNPFEDSA-N 1 1 326.387 2.632 10 10 EFCEMO C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cccc(C(F)(F)F)c1O ZINC000842902218 1256955915 /nfs/dbraw/zinc/95/59/15/1256955915.db2.gz MHLXOLCSRVRGBI-SNVBAGLBSA-N 1 1 328.338 2.823 10 10 EFCEMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921663939 1259567584 /nfs/dbraw/zinc/56/75/84/1259567584.db2.gz YWNWZKCAQVTBLC-INIZCTEOSA-N 1 1 329.375 2.517 10 10 EFCEMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921663939 1259567587 /nfs/dbraw/zinc/56/75/87/1259567587.db2.gz YWNWZKCAQVTBLC-INIZCTEOSA-N 1 1 329.375 2.517 10 10 EFCEMO CCC[NH+]1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000715739804 1263905388 /nfs/dbraw/zinc/90/53/88/1263905388.db2.gz ZKSLAJQVUPLHBZ-UHFFFAOYSA-N 1 1 331.229 2.821 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655800 1278222128 /nfs/dbraw/zinc/22/21/28/1278222128.db2.gz ZXUMBDPXHMSMDL-IXPVHAAZSA-N 1 1 329.799 2.547 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000824655800 1278222146 /nfs/dbraw/zinc/22/21/46/1278222146.db2.gz ZXUMBDPXHMSMDL-IXPVHAAZSA-N 1 1 329.799 2.547 10 10 EFCEMO C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@H]1C[NH3+] ZINC000715769563 1264918013 /nfs/dbraw/zinc/91/80/13/1264918013.db2.gz LZZIRNMDTVCAMQ-GXSJLCMTSA-N 1 1 331.229 2.711 10 10 EFCEMO C[C@H]1CCN(Cc2cc(Br)cc(F)c2O)C[C@@H]1C[NH3+] ZINC000715769573 1264921065 /nfs/dbraw/zinc/92/10/65/1264921065.db2.gz LZZIRNMDTVCAMQ-ONGXEEELSA-N 1 1 331.229 2.711 10 10 EFCEMO COc1c(O)c(C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000824702807 1278254359 /nfs/dbraw/zinc/25/43/59/1278254359.db2.gz 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COC(=O)c1cc2ccccc2c(C[N@H+]2CC[C@@H](CN(C)C)C2)c1O ZINC000738226871 1268409103 /nfs/dbraw/zinc/40/91/03/1268409103.db2.gz IYDNHNUOLWVEGG-AWEZNQCLSA-N 1 1 342.439 2.716 10 10 EFCEMO COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000825124400 1278420588 /nfs/dbraw/zinc/42/05/88/1278420588.db2.gz PFDJFQHOERBSFD-ISVAXAHUSA-N 1 1 339.741 2.799 10 10 EFCEMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000787769201 1275901769 /nfs/dbraw/zinc/90/17/69/1275901769.db2.gz BOOWMLONDHBCHY-HUUCEWRRSA-N 1 1 326.387 2.629 10 10 EFCEMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000787769199 1275902152 /nfs/dbraw/zinc/90/21/52/1275902152.db2.gz BOOWMLONDHBCHY-CABCVRRESA-N 1 1 326.387 2.629 10 10 EFCEMO CCc1cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000788382429 1276159101 /nfs/dbraw/zinc/15/91/01/1276159101.db2.gz FSQINSACDIKNTK-FQEVSTJZSA-N 1 1 330.472 2.964 10 10 EFCEMO CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1[O-] ZINC000817984495 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2.930 10 10 EFCEMO COc1c(O)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1[N+](=O)[O-] ZINC000846105804 1280035972 /nfs/dbraw/zinc/03/59/72/1280035972.db2.gz YMIGQBKURXZNMZ-CQSZACIVSA-N 1 1 328.315 2.930 10 10 EFCEMO CCN1C[C@H](C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)OC1=O ZINC000846766298 1280467702 /nfs/dbraw/zinc/46/77/02/1280467702.db2.gz QSVZTKHEOSUMCI-SFHVURJKSA-N 1 1 331.460 2.949 10 10 EFCEMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1 ZINC000809689951 1282377033 /nfs/dbraw/zinc/37/70/33/1282377033.db2.gz FSIADXIVVJDOPB-ZDUSSCGKSA-N 1 1 344.377 2.981 10 10 EFCEMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c(O)c1 ZINC000809662638 1282392637 /nfs/dbraw/zinc/39/26/37/1282392637.db2.gz BJXCJWVUIAVEQV-CYBMUJFWSA-N 1 1 328.416 2.543 10 10 EFCEMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000809769643 1282431346 /nfs/dbraw/zinc/43/13/46/1282431346.db2.gz QBEFCCGVXCHMKV-HUBLWGQQSA-N 1 1 344.377 2.978 10 10 EFCEMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000809769643 1282431349 /nfs/dbraw/zinc/43/13/49/1282431349.db2.gz QBEFCCGVXCHMKV-HUBLWGQQSA-N 1 1 344.377 2.978 10 10 EFCEMO COc1cccc(O)c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000809772631 1282432612 /nfs/dbraw/zinc/43/26/12/1282432612.db2.gz WVMRYJVBBUSUSJ-JSGCOSHPSA-N 1 1 336.432 2.888 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+]CC[C@H](O)C(F)(F)F)c1 ZINC000809743678 1282443368 /nfs/dbraw/zinc/44/33/68/1282443368.db2.gz ZPNLJRTTXPVVQO-JTQLQIEISA-N 1 1 342.155 2.866 10 10 EFCEMO CN1CCCc2cc(CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)ccc21 ZINC000810266600 1283083281 /nfs/dbraw/zinc/08/32/81/1283083281.db2.gz QYKCWOWDXRQEDI-HXUWFJFHSA-N 1 1 347.478 2.898 10 10 EFCEMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCCSc2nccs2)C1 ZINC000810397825 1283190266 /nfs/dbraw/zinc/19/02/66/1283190266.db2.gz ANHGNCPBOTYWDG-OAHLLOKOSA-N 1 1 345.509 2.954 10 10 EFCEMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](O)C2(C)C)c1O ZINC000812778558 1285409500 /nfs/dbraw/zinc/40/95/00/1285409500.db2.gz IXELBGSMQTYCGR-GFCCVEGCSA-N 1 1 330.222 2.509 10 10 EFCEMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000812778962 1285412489 /nfs/dbraw/zinc/41/24/89/1285412489.db2.gz RVZBTDXUPOKBAM-QGZVFWFLSA-N 1 1 333.432 2.930 10 10 EFCEMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCO[C@H](CC)C1 ZINC000822511299 1289019872 /nfs/dbraw/zinc/01/98/72/1289019872.db2.gz BKFAANNDRWPHNP-NVXWUHKLSA-N 1 1 335.444 2.963 10 10 EFCEMO CCOC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCO[C@@H](CC)C1 ZINC000822511300 1289020159 /nfs/dbraw/zinc/02/01/59/1289020159.db2.gz BKFAANNDRWPHNP-RDJZCZTQSA-N 1 1 335.444 2.963 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCC[C@@]3(CCOC3)O2)cc1 ZINC001171729929 1285746563 /nfs/dbraw/zinc/74/65/63/1285746563.db2.gz PECJZTXWHSKEJQ-UXHICEINSA-N 1 1 348.487 2.791 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001171729930 1285746945 /nfs/dbraw/zinc/74/69/45/1285746945.db2.gz PECJZTXWHSKEJQ-VQTJNVASSA-N 1 1 348.487 2.791 10 10 EFCEMO COC1(c2ccccc2)C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 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UIOAVIQGBKKFJC-HNNXBMFYSA-N 1 1 339.430 2.722 10 10 EFCEMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824575472 1289705254 /nfs/dbraw/zinc/70/52/54/1289705254.db2.gz GBTXODCWTPAOCN-CHWSQXEVSA-N 1 1 334.460 2.784 10 10 EFCEMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000824575473 1289705612 /nfs/dbraw/zinc/70/56/12/1289705612.db2.gz GBTXODCWTPAOCN-OLZOCXBDSA-N 1 1 334.460 2.784 10 10 EFCEMO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1O ZINC000824636518 1289734415 /nfs/dbraw/zinc/73/44/15/1289734415.db2.gz RLDJQXVAWRRYFP-LPHOPBHVSA-N 1 1 331.387 2.701 10 10 EFCEMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CC2 ZINC000817549911 1289958001 /nfs/dbraw/zinc/95/80/01/1289958001.db2.gz PFIFBZOGBMTOKK-LSDHHAIUSA-N 1 1 334.847 2.926 10 10 EFCEMO COc1c(O)c(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775012905 1290948714 /nfs/dbraw/zinc/94/87/14/1290948714.db2.gz LDVCVLVNDIWBTC-CHWSQXEVSA-N 1 1 337.420 2.662 10 10 EFCEMO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1c(C)nn(C)c1C ZINC000775028591 1290971695 /nfs/dbraw/zinc/97/16/95/1290971695.db2.gz DYZMRZRBCAXYGA-ZDUSSCGKSA-N 1 1 348.403 2.900 10 10 EFCEMO COc1c(O)c(C[NH2+]CCc2cc(F)ccc2F)ccc1[N+](=O)[O-] ZINC000775031128 1290978513 /nfs/dbraw/zinc/97/85/13/1290978513.db2.gz YMGSAFSLHGMEMY-UHFFFAOYSA-N 1 1 338.310 2.920 10 10 EFCEMO COc1cnccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775096419 1291117041 /nfs/dbraw/zinc/11/70/41/1291117041.db2.gz BGKSLZUHDOOVFR-JTQLQIEISA-N 1 1 333.344 2.563 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CCCN(c3ccccc3F)CC1)OCO2 ZINC000795730246 1291341484 /nfs/dbraw/zinc/34/14/84/1291341484.db2.gz ZKODBWQOHKXNQY-UHFFFAOYSA-N 1 1 344.386 2.972 10 10 EFCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC=C(c3cnn(C)c3)C2)c1O ZINC000878906505 1291860088 /nfs/dbraw/zinc/86/00/88/1291860088.db2.gz XDUULIIURFHJBY-UHFFFAOYSA-N 1 1 329.375 2.757 10 10 EFCEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC=C(c3cnn(C)c3)C2)c1O ZINC000878906505 1291860097 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332.492 2.767 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844279552 1278853813 /nfs/dbraw/zinc/85/38/13/1278853813.db2.gz TXYIOSMDYSZXMR-SFHVURJKSA-N 1 1 331.460 2.946 10 10 EFCEMO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000844313864 1278859979 /nfs/dbraw/zinc/85/99/79/1278859979.db2.gz WYKOTSIZFFOHLX-OAHLLOKOSA-N 1 1 326.444 2.517 10 10 EFCEMO C[C@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1cc(F)ccc1O ZINC000788611885 1276235575 /nfs/dbraw/zinc/23/55/75/1276235575.db2.gz ZMKROKBWJFDVOR-LBPRGKRZSA-N 1 1 343.402 2.548 10 10 EFCEMO C[C@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1cc(F)ccc1O ZINC000788611885 1276235578 /nfs/dbraw/zinc/23/55/78/1276235578.db2.gz ZMKROKBWJFDVOR-LBPRGKRZSA-N 1 1 343.402 2.548 10 10 EFCEMO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CCCc4[nH]ncc43)C2)cc1 ZINC000818342183 1276510359 /nfs/dbraw/zinc/51/03/59/1276510359.db2.gz MYHZTDQNWROPPN-RDTXWAMCSA-N 1 1 326.444 2.912 10 10 EFCEMO C[NH+](C)Cc1cccc(C[NH2+]CC2c3ccccc3C(=O)[N-]C2=O)c1 ZINC000585123183 1277376488 /nfs/dbraw/zinc/37/64/88/1277376488.db2.gz UABJEZVOXDOIRZ-UHFFFAOYSA-N 1 1 337.423 2.997 10 10 EFCEMO COc1ccc(C[NH2+]Cc2cnn(-c3cc(C)cc(C)c3)n2)c(O)c1 ZINC000793386509 1279614292 /nfs/dbraw/zinc/61/42/92/1279614292.db2.gz UQPGVXOEOWPDHB-UHFFFAOYSA-N 1 1 338.411 2.888 10 10 EFCEMO OCC[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000793607861 1279769926 /nfs/dbraw/zinc/76/99/26/1279769926.db2.gz DLMSJGJTCLZFDB-KRWDZBQOSA-N 1 1 336.451 2.789 10 10 EFCEMO Fc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1N1CCOCC1 ZINC000846116809 1280024468 /nfs/dbraw/zinc/02/44/68/1280024468.db2.gz KBEPVSVMYHWVJX-MRXNPFEDSA-N 1 1 326.362 2.893 10 10 EFCEMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808776255 1281895223 /nfs/dbraw/zinc/89/52/23/1281895223.db2.gz DYWZISCPWMBGQK-GOSISDBHSA-N 1 1 329.488 2.833 10 10 EFCEMO COC(=O)c1occc1C[NH2+]Cc1cc(Br)ccc1O ZINC000809712792 1282422644 /nfs/dbraw/zinc/42/26/44/1282422644.db2.gz UUTOMRLDVOKKQB-UHFFFAOYSA-N 1 1 340.173 2.824 10 10 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O=C(NCc1c(O)cccc1O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001635846827 1100683776 /nfs/dbraw/zinc/68/37/76/1100683776.db2.gz BSGSPROZUVCMPS-QGZVFWFLSA-N 1 1 340.423 2.769 10 10 EFCEMO Cc1cc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)c(C)n1-c1ccccc1 ZINC001637021738 1100752263 /nfs/dbraw/zinc/75/22/63/1100752263.db2.gz WRKZKBWOKOPCFR-LJQANCHMSA-N 1 1 340.471 2.988 10 10 EFCEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC001637380927 1100777703 /nfs/dbraw/zinc/77/77/03/1100777703.db2.gz ZBGLAISSBVNQGS-SFHVURJKSA-N 1 1 330.476 2.522 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001642843741 1101248227 /nfs/dbraw/zinc/24/82/27/1101248227.db2.gz WDVBRIGGBXGRMP-INIZCTEOSA-N 1 1 337.383 2.636 10 10 EFCEMO COC(=O)/C=C/c1ccc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001643074860 1101268930 /nfs/dbraw/zinc/26/89/30/1101268930.db2.gz KGERELIRUMSVJG-DBWMJRBXSA-N 1 1 347.415 2.557 10 10 EFCEMO COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001654223075 1101696560 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CCOc1cccc(C[N@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000367834855 242393518 /nfs/dbraw/zinc/39/35/18/242393518.db2.gz WWKLCMBIIGZIOD-HNNXBMFYSA-N 1 1 341.473 2.580 10 10 EFCEMO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000367998573 242398988 /nfs/dbraw/zinc/39/89/88/242398988.db2.gz UJUJOWKPJZPTBA-DZGCQCFKSA-N 1 1 344.434 2.594 10 10 EFCEMO COc1c(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)nn1C ZINC000160191351 533413273 /nfs/dbraw/zinc/41/32/73/533413273.db2.gz JPUZZTHHUXNUPW-INIZCTEOSA-N 1 1 345.443 2.624 10 10 EFCEMO COc1c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)nn1C ZINC000160191351 533413283 /nfs/dbraw/zinc/41/32/83/533413283.db2.gz JPUZZTHHUXNUPW-INIZCTEOSA-N 1 1 345.443 2.624 10 10 EFCEMO COCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000125195600 473371901 /nfs/dbraw/zinc/37/19/01/473371901.db2.gz YISZCJZKVMLJDJ-CZUORRHYSA-N 1 1 329.448 2.676 10 10 EFCEMO COc1ccc(C[C@H]2c3cc(O)c(O)cc3CC[N@@H+]2C)cc1OC ZINC000005209054 471492696 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C[N@H+]1CC[C@@H](NC(=O)c2ccc(O)c(O)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000097235285 472486291 /nfs/dbraw/zinc/48/62/91/472486291.db2.gz LSYOXLAYZMJQKP-PBHICJAKSA-N 1 1 346.814 2.926 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)Nc3nncs3)C2)cc1C ZINC000058416010 472566894 /nfs/dbraw/zinc/56/68/94/472566894.db2.gz GMJFXXJYLWKHAW-ZDUSSCGKSA-N 1 1 346.456 2.711 10 10 EFCEMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)n[nH]1 ZINC000090533739 472632263 /nfs/dbraw/zinc/63/22/63/472632263.db2.gz QHODLADBHXQLNY-DZGCQCFKSA-N 1 1 346.450 2.976 10 10 EFCEMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000078583783 472738266 /nfs/dbraw/zinc/73/82/66/472738266.db2.gz QATWMYCEZLIPAU-PMGBHYCQSA-N 1 1 347.415 2.559 10 10 EFCEMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000078583779 472738297 /nfs/dbraw/zinc/73/82/97/472738297.db2.gz QATWMYCEZLIPAU-VFADXPBXSA-N 1 1 347.415 2.559 10 10 EFCEMO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000121053301 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EFCEMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000769405391 577360168 /nfs/dbraw/zinc/36/01/68/577360168.db2.gz UYHOEAFXSNFFMI-INIZCTEOSA-N 1 1 333.451 2.726 10 10 EFCEMO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)OC[C@@H](C)CO)C1 ZINC000769662657 577377413 /nfs/dbraw/zinc/37/74/13/577377413.db2.gz FMEDEQOZGNMVHF-HNNXBMFYSA-N 1 1 344.455 2.579 10 10 EFCEMO CC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000769664803 577377599 /nfs/dbraw/zinc/37/75/99/577377599.db2.gz KEFJFWLVGWATBO-UHFFFAOYSA-N 1 1 328.412 2.540 10 10 EFCEMO CC(=O)COC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000769664803 577377600 /nfs/dbraw/zinc/37/76/00/577377600.db2.gz KEFJFWLVGWATBO-UHFFFAOYSA-N 1 1 328.412 2.540 10 10 EFCEMO CC(C)(C)NC(=O)N1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000774569927 581494373 /nfs/dbraw/zinc/49/43/73/581494373.db2.gz PFKPVKLRDUPNPO-UHFFFAOYSA-N 1 1 331.460 2.507 10 10 EFCEMO COc1c([O-])c(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000774910463 581503849 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ZINC000850573063 1250542428 /nfs/dbraw/zinc/54/24/28/1250542428.db2.gz UAQSJDWHKNGMLF-KBPBESRZSA-N 1 1 332.423 2.808 10 10 EFCEMO C[C@H]([NH2+]CCCc1ncn(C)n1)c1cccc(C(F)(F)F)c1O ZINC000842902216 1256956483 /nfs/dbraw/zinc/95/64/83/1256956483.db2.gz MHLXOLCSRVRGBI-JTQLQIEISA-N 1 1 328.338 2.823 10 10 EFCEMO Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000824913757 1278339565 /nfs/dbraw/zinc/33/95/65/1278339565.db2.gz DSFJQTIPAJCPRG-CQSZACIVSA-N 1 1 331.865 2.753 10 10 EFCEMO Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CS(C)(=O)=O)c1O ZINC000824913757 1278339579 /nfs/dbraw/zinc/33/95/79/1278339579.db2.gz DSFJQTIPAJCPRG-CQSZACIVSA-N 1 1 331.865 2.753 10 10 EFCEMO Oc1cc2c(cc1C[NH+]1CCC(CCN3CCOCC3)CC1)CCC2 ZINC000738112159 1268354420 /nfs/dbraw/zinc/35/44/20/1268354420.db2.gz UBYIKKOLJLNVPR-UHFFFAOYSA-N 1 1 344.499 2.815 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124740 1278419243 /nfs/dbraw/zinc/41/92/43/1278419243.db2.gz XCOKPFCJYLCUAX-JVXZTZIISA-N 1 1 327.705 2.930 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124742 1278419624 /nfs/dbraw/zinc/41/96/24/1278419624.db2.gz XCOKPFCJYLCUAX-MADCSZMMSA-N 1 1 327.705 2.930 10 10 EFCEMO [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124741 1278420005 /nfs/dbraw/zinc/42/00/05/1278420005.db2.gz XCOKPFCJYLCUAX-KRTXAFLBSA-N 1 1 327.705 2.930 10 10 EFCEMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130402 1278423906 /nfs/dbraw/zinc/42/39/06/1278423906.db2.gz XJOYTEHXFQERTC-MLGOLLRUSA-N 1 1 346.393 2.743 10 10 EFCEMO CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000843831440 1270111229 /nfs/dbraw/zinc/11/12/29/1270111229.db2.gz PXYFAELABFNNCO-CHWSQXEVSA-N 1 1 331.416 2.988 10 10 EFCEMO COc1cccc(C[N@@H+]2CCO[C@@H](COc3ccccc3)C2)c1O ZINC000792186048 1278626574 /nfs/dbraw/zinc/62/65/74/1278626574.db2.gz FWEOQYHINUKGFY-QGZVFWFLSA-N 1 1 329.396 2.681 10 10 EFCEMO COc1cccc(C[N@H+]2CCO[C@@H](COc3ccccc3)C2)c1O ZINC000792186048 1278626589 /nfs/dbraw/zinc/62/65/89/1278626589.db2.gz FWEOQYHINUKGFY-QGZVFWFLSA-N 1 1 329.396 2.681 10 10 EFCEMO O=C1O[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CN1C1CC1 ZINC000844308453 1278856294 /nfs/dbraw/zinc/85/62/94/1278856294.db2.gz ZVJZDWYTMXGXJW-KRWDZBQOSA-N 1 1 342.395 2.971 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)c1 ZINC000786950591 1275587040 /nfs/dbraw/zinc/58/70/40/1275587040.db2.gz PRAWHAIRYAGOAD-TVQRCGJNSA-N 1 1 335.322 2.797 10 10 EFCEMO COCC[N@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCOC1 ZINC000787335471 1275748463 /nfs/dbraw/zinc/74/84/63/1275748463.db2.gz RVCKSZQWBDJRHT-CYBMUJFWSA-N 1 1 344.249 2.700 10 10 EFCEMO COCC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@@H]1CCOC1 ZINC000787335471 1275748467 /nfs/dbraw/zinc/74/84/67/1275748467.db2.gz RVCKSZQWBDJRHT-CYBMUJFWSA-N 1 1 344.249 2.700 10 10 EFCEMO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000787769200 1275902110 /nfs/dbraw/zinc/90/21/10/1275902110.db2.gz BOOWMLONDHBCHY-GJZGRUSLSA-N 1 1 326.387 2.629 10 10 EFCEMO COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H]1CCCO1 ZINC000788533010 1276222623 /nfs/dbraw/zinc/22/26/23/1276222623.db2.gz BWCNQCFOGKBERL-ZIAGYGMSSA-N 1 1 344.249 2.747 10 10 EFCEMO Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000788606570 1276238111 /nfs/dbraw/zinc/23/81/11/1276238111.db2.gz AFCNIHFMPCFSLV-CQSZACIVSA-N 1 1 339.439 2.717 10 10 EFCEMO Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000788606570 1276238116 /nfs/dbraw/zinc/23/81/16/1276238116.db2.gz AFCNIHFMPCFSLV-CQSZACIVSA-N 1 1 339.439 2.717 10 10 EFCEMO CC[N@H+](CCC(=O)OC)Cc1cc(C)cc(Br)c1O ZINC000781902593 1276549460 /nfs/dbraw/zinc/54/94/60/1276549460.db2.gz QHXACMLNMBLNHJ-UHFFFAOYSA-N 1 1 330.222 2.848 10 10 EFCEMO CC[N@@H+](CCC(=O)OC)Cc1cc(C)cc(Br)c1O ZINC000781902593 1276549468 /nfs/dbraw/zinc/54/94/68/1276549468.db2.gz QHXACMLNMBLNHJ-UHFFFAOYSA-N 1 1 330.222 2.848 10 10 EFCEMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000789516913 1276814544 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EFCEMO Cc1cc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1N(C)C ZINC000815041906 1287283906 /nfs/dbraw/zinc/28/39/06/1287283906.db2.gz FQJWWEKFZOSXIN-FQEVSTJZSA-N 1 1 344.547 2.663 10 10 EFCEMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815093793 1287321040 /nfs/dbraw/zinc/32/10/40/1287321040.db2.gz SXBVTUIORMTTFH-DLBZAZTESA-N 1 1 334.460 2.604 10 10 EFCEMO CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000844759722 1279229620 /nfs/dbraw/zinc/22/96/20/1279229620.db2.gz RGFZUPQRPBMDNI-CYBMUJFWSA-N 1 1 339.432 2.962 10 10 EFCEMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000844759722 1279229627 /nfs/dbraw/zinc/22/96/27/1279229627.db2.gz RGFZUPQRPBMDNI-CYBMUJFWSA-N 1 1 339.432 2.962 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+]CCN2CC=CCC2)c1 ZINC000793320829 1279544734 /nfs/dbraw/zinc/54/47/34/1279544734.db2.gz VXKHPFSYTKZALA-UHFFFAOYSA-N 1 1 325.250 2.815 10 10 EFCEMO Fc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1N1CCOCC1 ZINC000793620412 1279779808 /nfs/dbraw/zinc/77/98/08/1279779808.db2.gz OVMDPVJKUMOOGP-LJQANCHMSA-N 1 1 334.435 2.665 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000846042416 1279997658 /nfs/dbraw/zinc/99/76/58/1279997658.db2.gz LLXQBHSTFWRNRX-HNNXBMFYSA-N 1 1 336.388 2.604 10 10 EFCEMO COc1ccc(N(C)CCN(C)C(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000846658628 1280373693 /nfs/dbraw/zinc/37/36/93/1280373693.db2.gz KKSDSRCKWRFLGJ-KRWDZBQOSA-N 1 1 347.503 2.854 10 10 EFCEMO CCN1C[C@@H](C[N@H+](Cc2ccco2)Cc2ccccc2O)OC1=O ZINC000846825398 1280520199 /nfs/dbraw/zinc/52/01/99/1280520199.db2.gz VDMDVJGBDKKXON-MRXNPFEDSA-N 1 1 330.384 2.828 10 10 EFCEMO CCN1C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)OC1=O ZINC000846825398 1280520205 /nfs/dbraw/zinc/52/02/05/1280520205.db2.gz VDMDVJGBDKKXON-MRXNPFEDSA-N 1 1 330.384 2.828 10 10 EFCEMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001147887920 1281323021 /nfs/dbraw/zinc/32/30/21/1281323021.db2.gz GYUGRPHSZRWFMV-HNNXBMFYSA-N 1 1 331.460 2.598 10 10 EFCEMO c1ccc(CN2CCc3cc(CN4C[C@@H]5C[NH2+]C[C@H]5C4)ccc32)cc1 ZINC000809595238 1282332546 /nfs/dbraw/zinc/33/25/46/1282332546.db2.gz HVGZLIYXSWITAS-SFTDATJTSA-N 1 1 333.479 2.901 10 10 EFCEMO C[NH+]1CCN(c2ccc(CNc3cnccc3-n3cccn3)cc2)CC1 ZINC000809631167 1282349113 /nfs/dbraw/zinc/34/91/13/1282349113.db2.gz ATXNXIGKZJAGME-UHFFFAOYSA-N 1 1 348.454 2.631 10 10 EFCEMO CCOc1ccc(O)c(C[N@@H+](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000811514702 1284391407 /nfs/dbraw/zinc/39/14/07/1284391407.db2.gz DBAOKNFTZWXLCY-UHFFFAOYSA-N 1 1 336.432 2.842 10 10 EFCEMO Cc1cc(Br)c(O)c(CN2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000814173043 1286354950 /nfs/dbraw/zinc/35/49/50/1286354950.db2.gz FJXDAVRHAHVHQU-SMDDNHRTSA-N 1 1 325.250 2.599 10 10 EFCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000816955332 1288339799 /nfs/dbraw/zinc/33/97/99/1288339799.db2.gz ZKXRJGRCFZQXLK-GDBMZVCRSA-N 1 1 329.469 2.932 10 10 EFCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000816955335 1288340536 /nfs/dbraw/zinc/34/05/36/1288340536.db2.gz ZKXRJGRCFZQXLK-ZBFHGGJFSA-N 1 1 329.469 2.932 10 10 EFCEMO C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)[NH+]1CCSCC1 ZINC001135800891 1288392613 /nfs/dbraw/zinc/39/26/13/1288392613.db2.gz ULALERMJHHVPMK-MRXNPFEDSA-N 1 1 347.528 2.683 10 10 EFCEMO CNC(=O)[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000817370501 1288563498 /nfs/dbraw/zinc/56/34/98/1288563498.db2.gz PUTKFLLKBAWWDK-GFCCVEGCSA-N 1 1 328.412 2.585 10 10 EFCEMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000817414168 1288591716 /nfs/dbraw/zinc/59/17/16/1288591716.db2.gz GUMBMXCQGPVPCN-GDBMZVCRSA-N 1 1 333.432 2.930 10 10 EFCEMO CCN1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3SC)cc2F)CC1 ZINC000822456099 1288995816 /nfs/dbraw/zinc/99/58/16/1288995816.db2.gz OCUKKRKSLJIPCN-WMZOPIPTSA-N 1 1 337.508 2.951 10 10 EFCEMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000824450966 1289656068 /nfs/dbraw/zinc/65/60/68/1289656068.db2.gz FKUDWVZKAWZPRL-SFHVURJKSA-N 1 1 343.471 2.951 10 10 EFCEMO COc1ccc(N2CCC[N@@H+](Cc3cnn4c3CCC4)CC2)cc1 ZINC000824606400 1289724452 /nfs/dbraw/zinc/72/44/52/1289724452.db2.gz RSRXSXWJRNMXLB-UHFFFAOYSA-N 1 1 326.444 2.550 10 10 EFCEMO CN(C)c1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000092539357 1290786235 /nfs/dbraw/zinc/78/62/35/1290786235.db2.gz SEOKRUMTHKCZNH-UHFFFAOYSA-N 1 1 329.488 2.977 10 10 EFCEMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000795693924 1291212355 /nfs/dbraw/zinc/21/23/55/1291212355.db2.gz RIHWXUCSLPZAPL-MRXNPFEDSA-N 1 1 343.345 2.808 10 10 EFCEMO COc1cc(C[N@@H+](C)[C@@H]2CCN3CCO[C@H]2C3)c(O)c(C(C)(C)C)c1 ZINC000826029918 1291547770 /nfs/dbraw/zinc/54/77/70/1291547770.db2.gz MYIRXMXQAPPVAR-MSOLQXFVSA-N 1 1 348.487 2.603 10 10 EFCEMO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000886186145 1294755113 /nfs/dbraw/zinc/75/51/13/1294755113.db2.gz QQUHJSAKTVILHT-AZUAARDMSA-N 1 1 331.504 2.876 10 10 EFCEMO Cc1nnc(N2CC[NH+](Cc3ccc(N(C)C)c(C)c3)CC2)s1 ZINC001197946481 1294806710 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10 10 EFCEMO COc1ccc(N2CCC(N[C@H]3CC[NH2+]C34CCCC4)CC2)cc1 ZINC000925565491 1296854536 /nfs/dbraw/zinc/85/45/36/1296854536.db2.gz SJPXMZGNVRXYFO-IBGZPJMESA-N 1 1 329.488 2.928 10 10 EFCEMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCO[C@H](C)C1 ZINC000779012930 1297742613 /nfs/dbraw/zinc/74/26/13/1297742613.db2.gz KUXIYSMCIMJIDD-CHWSQXEVSA-N 1 1 341.835 2.836 10 10 EFCEMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CCO[C@H](C)C1 ZINC000779012930 1297742620 /nfs/dbraw/zinc/74/26/20/1297742620.db2.gz KUXIYSMCIMJIDD-CHWSQXEVSA-N 1 1 341.835 2.836 10 10 EFCEMO Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903976863 1313525481 /nfs/dbraw/zinc/52/54/81/1313525481.db2.gz FNPVVYKUXUKGKW-VXGBXAGGSA-N 1 1 327.266 2.880 10 10 EFCEMO COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000852413192 1299694621 /nfs/dbraw/zinc/69/46/21/1299694621.db2.gz PZVKGTDFVVLBRP-STQMWFEESA-N 1 1 335.448 2.634 10 10 EFCEMO CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000852412277 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331.359 2.654 10 10 EFCEMO CCN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000853776753 1300272727 /nfs/dbraw/zinc/27/27/27/1300272727.db2.gz VFYAILYINHXIOC-IBGZPJMESA-N 1 1 342.487 2.689 10 10 EFCEMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc(O)c1O ZINC000854513567 1300603493 /nfs/dbraw/zinc/60/34/93/1300603493.db2.gz OXGKRJYHTHEIIP-NVXWUHKLSA-N 1 1 338.407 2.854 10 10 EFCEMO CCN(C)c1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000859522970 1301482982 /nfs/dbraw/zinc/48/29/82/1301482982.db2.gz RFMSUGYEIJIZJT-LJQANCHMSA-N 1 1 332.488 2.896 10 10 EFCEMO COC1CCN(c2ccc(C[N@@H+]3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000859908836 1301633548 /nfs/dbraw/zinc/63/35/48/1301633548.db2.gz PXCIFJPBSVTCRP-IBGZPJMESA-N 1 1 336.451 2.862 10 10 EFCEMO COC1CCN(c2ccc(C[N@H+]3CCO[C@@H](CCF)C3)cc2)CC1 ZINC000859908836 1301633560 /nfs/dbraw/zinc/63/35/60/1301633560.db2.gz PXCIFJPBSVTCRP-IBGZPJMESA-N 1 1 336.451 2.862 10 10 EFCEMO C[C@@H]1CC[C@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C[NH2+]1 ZINC000861690357 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C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(C(F)(F)F)c1O ZINC000866412608 1303628106 /nfs/dbraw/zinc/62/81/06/1303628106.db2.gz KWBFXKSPJPNARY-RYUDHWBXSA-N 1 1 346.393 2.907 10 10 EFCEMO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)c1ccc(N(C)C)cc1 ZINC000868515383 1304334562 /nfs/dbraw/zinc/33/45/62/1304334562.db2.gz LJPCYPZWQMZGJS-YXJHDRRASA-N 1 1 330.476 2.549 10 10 EFCEMO O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2O)CCC3)CCN1 ZINC000748790208 1314129745 /nfs/dbraw/zinc/12/97/45/1314129745.db2.gz OFIVRYPTFYLNQG-IBGZPJMESA-N 1 1 336.435 2.944 10 10 EFCEMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000901133792 1309569557 /nfs/dbraw/zinc/56/95/57/1309569557.db2.gz DXJRGYFPFKCTRS-DGCLKSJQSA-N 1 1 346.452 2.869 10 10 EFCEMO CCCC[N@H+](Cc1csc(CC(=O)NC)n1)Cc1ccccc1O ZINC000801596716 1310574216 /nfs/dbraw/zinc/57/42/16/1310574216.db2.gz LPFOJZIQPCXYCX-UHFFFAOYSA-N 1 1 347.484 2.940 10 10 EFCEMO CCCC[N@@H+](Cc1csc(CC(=O)NC)n1)Cc1ccccc1O ZINC000801596716 1310574219 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COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000769328978 577352643 /nfs/dbraw/zinc/35/26/43/577352643.db2.gz IMYCGTQLHGKYJV-MRXNPFEDSA-N 1 1 326.396 2.638 10 10 EFCEMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000769405394 577360114 /nfs/dbraw/zinc/36/01/14/577360114.db2.gz UYHOEAFXSNFFMI-MRXNPFEDSA-N 1 1 333.451 2.726 10 10 EFCEMO COc1cccc(O)c1C[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000769414411 577360802 /nfs/dbraw/zinc/36/08/02/577360802.db2.gz USEUNULFHCPURZ-INIZCTEOSA-N 1 1 344.386 2.777 10 10 EFCEMO COc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000769414411 577360803 /nfs/dbraw/zinc/36/08/03/577360803.db2.gz USEUNULFHCPURZ-INIZCTEOSA-N 1 1 344.386 2.777 10 10 EFCEMO CCOc1ccc(C[N@@H+]2CC[S@@](=O)C(CC)(CC)C2)c(O)c1 ZINC000769554894 577372127 /nfs/dbraw/zinc/37/21/27/577372127.db2.gz BTWWDOYVUOBIOH-JOCHJYFZSA-N 1 1 325.474 2.914 10 10 EFCEMO CCOc1ccc(C[N@H+]2CC[S@@](=O)C(CC)(CC)C2)c(O)c1 ZINC000769554894 577372130 /nfs/dbraw/zinc/37/21/30/577372130.db2.gz 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EFCEMO COc1c(O)c(C[NH2+][C@@H]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774941650 581504761 /nfs/dbraw/zinc/50/47/61/581504761.db2.gz BZVWOGOPDRSULH-OAHLLOKOSA-N 1 1 328.368 2.956 10 10 EFCEMO CO[C@@H](C[NH2+]Cc1cc(C)cc(Br)c1O)[C@H]1CCOC1 ZINC000850343487 1250439143 /nfs/dbraw/zinc/43/91/43/1250439143.db2.gz UCXIGWSHWPQEHC-FZMZJTMJSA-N 1 1 344.249 2.604 10 10 EFCEMO CO[C@H](C[NH2+]Cc1cc(C)cc(Br)c1O)[C@@H]1CCOC1 ZINC000850343486 1250439351 /nfs/dbraw/zinc/43/93/51/1250439351.db2.gz UCXIGWSHWPQEHC-BXUZGUMPSA-N 1 1 344.249 2.604 10 10 EFCEMO COc1ccc(N2CC[C@@H]([NH2+]Cc3nn(C)c(C)c3Cl)C2)cc1 ZINC000850346754 1250440329 /nfs/dbraw/zinc/44/03/29/1250440329.db2.gz IYIRTGUYORYITE-CYBMUJFWSA-N 1 1 334.851 2.759 10 10 EFCEMO COc1ccc(N2CC[C@H]([NH2+]Cc3nn(C)c(C)c3Cl)C2)cc1 ZINC000850346756 1250440993 /nfs/dbraw/zinc/44/09/93/1250440993.db2.gz IYIRTGUYORYITE-ZDUSSCGKSA-N 1 1 334.851 2.759 10 10 EFCEMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850388257 1250459883 /nfs/dbraw/zinc/45/98/83/1250459883.db2.gz KGVQTKKNLTZYKY-OLZOCXBDSA-N 1 1 326.234 2.856 10 10 EFCEMO C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1cc(F)cc(F)c1O ZINC000850497598 1250511755 /nfs/dbraw/zinc/51/17/55/1250511755.db2.gz VYNBISPLIBNTRM-WODJRTHDSA-N 1 1 331.306 2.632 10 10 EFCEMO C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1[O-] ZINC000850509707 1250514768 /nfs/dbraw/zinc/51/47/68/1250514768.db2.gz RCJXAQHWMMNKTR-KDOFPFPSSA-N 1 1 344.430 2.949 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3cnc4ccccc4n3)CC2)cc1 ZINC000851715032 1251221211 /nfs/dbraw/zinc/22/12/11/1251221211.db2.gz XYRNIGILTUBCNO-UHFFFAOYSA-N 1 1 334.423 2.961 10 10 EFCEMO CN(CCC[N@@H+](C)CC1CC1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001484769887 1252938503 /nfs/dbraw/zinc/93/85/03/1252938503.db2.gz PGWOZTKJFZUBMV-UHFFFAOYSA-N 1 1 331.420 2.653 10 10 EFCEMO C[N@H+]1CC[C@@H](NC(=O)NCc2c(O)cccc2F)[C@H]1c1ccccc1 ZINC000921677616 1260276066 /nfs/dbraw/zinc/27/60/66/1260276066.db2.gz FQUYFIQOPGTNPV-SJLPKXTDSA-N 1 1 343.402 2.776 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000824653332 1278216346 /nfs/dbraw/zinc/21/63/46/1278216346.db2.gz AHAGNUOGLZYHBS-DFQSSKMNSA-N 1 1 332.488 2.895 10 10 EFCEMO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726610 1278263942 /nfs/dbraw/zinc/26/39/42/1278263942.db2.gz POSDYOBLEGWQHU-ZDUSSCGKSA-N 1 1 336.176 2.665 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1 ZINC000824726610 1278263953 /nfs/dbraw/zinc/26/39/53/1278263953.db2.gz POSDYOBLEGWQHU-ZDUSSCGKSA-N 1 1 336.176 2.665 10 10 EFCEMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825130400 1278423752 /nfs/dbraw/zinc/42/37/52/1278423752.db2.gz XJOYTEHXFQERTC-BLLLJJGKSA-N 1 1 346.393 2.743 10 10 EFCEMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cc2F)CC1 ZINC000825234865 1278478474 /nfs/dbraw/zinc/47/84/74/1278478474.db2.gz ZILSQKQYCGIHEZ-FXAWDEMLSA-N 1 1 347.478 2.625 10 10 EFCEMO CCN1CCN(CC(C)(C)[NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000825275667 1278502398 /nfs/dbraw/zinc/50/23/98/1278502398.db2.gz XUCATMWQOKOJDB-UHFFFAOYSA-N 1 1 339.911 2.860 10 10 EFCEMO COc1ccc(-n2c(C)cc(C(=O)N3CC[N@H+](C)[C@@H](C)C3)c2C)cc1 ZINC000742195673 1269929522 /nfs/dbraw/zinc/92/95/22/1269929522.db2.gz HNFOLPVZYAYHSO-HNNXBMFYSA-N 1 1 341.455 2.879 10 10 EFCEMO COc1ccc(-n2c(C)cc(C(=O)N3CC[N@@H+](C)[C@@H](C)C3)c2C)cc1 ZINC000742195673 1269929531 /nfs/dbraw/zinc/92/95/31/1269929531.db2.gz HNFOLPVZYAYHSO-HNNXBMFYSA-N 1 1 341.455 2.879 10 10 EFCEMO O=C1O[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CN1C1CC1 ZINC000844308454 1278856168 /nfs/dbraw/zinc/85/61/68/1278856168.db2.gz ZVJZDWYTMXGXJW-QGZVFWFLSA-N 1 1 342.395 2.971 10 10 EFCEMO COCC[N@@H+](Cc1cc(Br)cc(C)c1O)[C@@H]1CCOC1 ZINC000787335504 1275748796 /nfs/dbraw/zinc/74/87/96/1275748796.db2.gz SWMVMQIWRXGXBB-CQSZACIVSA-N 1 1 344.249 2.700 10 10 EFCEMO O=C1C[C@@]2(CC[N@H+](Cc3c4c(ccc3O)oc3c4CCCC3)C2)CN1 ZINC000788381903 1276160000 /nfs/dbraw/zinc/16/00/00/1276160000.db2.gz JCGIXCHKNPWABS-FQEVSTJZSA-N 1 1 340.423 2.729 10 10 EFCEMO NC(=O)C[N@@H+]1CCc2ccc(NCc3c(O)cccc3Cl)cc2C1 ZINC000788528442 1276222145 /nfs/dbraw/zinc/22/21/45/1276222145.db2.gz CIJKOQTUNBQASM-UHFFFAOYSA-N 1 1 345.830 2.501 10 10 EFCEMO NC(=O)C[N@H+]1CCc2ccc(NCc3c(O)cccc3Cl)cc2C1 ZINC000788528442 1276222149 /nfs/dbraw/zinc/22/21/49/1276222149.db2.gz CIJKOQTUNBQASM-UHFFFAOYSA-N 1 1 345.830 2.501 10 10 EFCEMO C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000817982615 1276420448 /nfs/dbraw/zinc/42/04/48/1276420448.db2.gz HCUIRNIXTNLTJZ-GRTSSRMGSA-N 1 1 339.430 2.537 10 10 EFCEMO COc1ccc(N2CC[C@@H](C[NH2+][C@H]3CCCc4[nH]ncc43)C2)cc1 ZINC000818342182 1276509975 /nfs/dbraw/zinc/50/99/75/1276509975.db2.gz MYHZTDQNWROPPN-KSSFIOAISA-N 1 1 326.444 2.912 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+]C3([C@@H]4CCCCO4)CC3)cc2)CC1 ZINC000923031573 1276559263 /nfs/dbraw/zinc/55/92/63/1276559263.db2.gz XONGQPDAMNIUIV-IBGZPJMESA-N 1 1 329.488 2.630 10 10 EFCEMO CCN1CCN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2F)CC1 ZINC000819033132 1276595833 /nfs/dbraw/zinc/59/58/33/1276595833.db2.gz NVMNCMGPZVJNIT-UHFFFAOYSA-N 1 1 349.494 2.752 10 10 EFCEMO CC(C)n1ncnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000789300462 1276630174 /nfs/dbraw/zinc/63/01/74/1276630174.db2.gz NLLWEQFXHXBZAL-HNNXBMFYSA-N 1 1 329.448 2.546 10 10 EFCEMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001136379342 1277327578 /nfs/dbraw/zinc/32/75/78/1277327578.db2.gz XOZCFEQMMLHTMD-HZSPNIEDSA-N 1 1 345.447 2.945 10 10 EFCEMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001136404992 1277417984 /nfs/dbraw/zinc/41/79/84/1277417984.db2.gz KDCAZGJMIYUJBS-OKILXGFUSA-N 1 1 334.460 2.513 10 10 EFCEMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CCc2ccccc21 ZINC000844742229 1279210972 /nfs/dbraw/zinc/21/09/72/1279210972.db2.gz NTKMLANUTDKECB-ORAYPTAESA-N 1 1 325.408 2.980 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CNc3ccccc3C2)c1 ZINC000844922046 1279343431 /nfs/dbraw/zinc/34/34/31/1279343431.db2.gz ZMRKKMQTINAICK-WFASDCNBSA-N 1 1 326.396 2.866 10 10 EFCEMO CCn1nccc1C[N@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000793303067 1279515639 /nfs/dbraw/zinc/51/56/39/1279515639.db2.gz CKQGRJWXYFKCGH-UHFFFAOYSA-N 1 1 342.487 2.888 10 10 EFCEMO CCn1nccc1C[N@@H+](CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000793303067 1279515648 /nfs/dbraw/zinc/51/56/48/1279515648.db2.gz CKQGRJWXYFKCGH-UHFFFAOYSA-N 1 1 342.487 2.888 10 10 EFCEMO CCOc1ccc(CN2CCN(c3cc[nH+]cc3OC)CC2)c(O)c1 ZINC000793369192 1279584143 /nfs/dbraw/zinc/58/41/43/1279584143.db2.gz DOKSMBMOUUMZPN-UHFFFAOYSA-N 1 1 343.427 2.517 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H](C2CC2)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000846042417 1279997487 /nfs/dbraw/zinc/99/74/87/1279997487.db2.gz LLXQBHSTFWRNRX-OAHLLOKOSA-N 1 1 336.388 2.604 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846045289 1279998488 /nfs/dbraw/zinc/99/84/88/1279998488.db2.gz STVAIDKFMQGRPT-KPZWWZAWSA-N 1 1 346.383 2.695 10 10 EFCEMO COc1c(O)c(C[NH2+][C@@H](C)[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846045294 1279998773 /nfs/dbraw/zinc/99/87/73/1279998773.db2.gz STVAIDKFMQGRPT-SGTLLEGYSA-N 1 1 346.383 2.695 10 10 EFCEMO Fc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1N1CCOCC1 ZINC000846116808 1280024788 /nfs/dbraw/zinc/02/47/88/1280024788.db2.gz KBEPVSVMYHWVJX-INIZCTEOSA-N 1 1 326.362 2.893 10 10 EFCEMO O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(OCc2ccccc2)cc1O ZINC000846103599 1280035797 /nfs/dbraw/zinc/03/57/97/1280035797.db2.gz RVHSFKVKZXSCCS-KEWLPNKHSA-N 1 1 343.448 2.676 10 10 EFCEMO Cc1cnc([C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000794257272 1280093157 /nfs/dbraw/zinc/09/31/57/1280093157.db2.gz MPRSCRFZXQJOQT-INIZCTEOSA-N 1 1 326.444 2.815 10 10 EFCEMO CCC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC001144868179 1280263745 /nfs/dbraw/zinc/26/37/45/1280263745.db2.gz PPSNVSSHHAJSIC-LJQANCHMSA-N 1 1 347.503 2.854 10 10 EFCEMO C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1O ZINC000872118847 1287433907 /nfs/dbraw/zinc/43/39/07/1287433907.db2.gz KBSSDRKAZJJIIO-CRMUJIHISA-N 1 1 327.421 2.538 10 10 EFCEMO CCOC(C[N@@H+](CC)Cc1cc(F)cc(C(C)=O)c1O)OCC ZINC000846969556 1280669640 /nfs/dbraw/zinc/66/96/40/1280669640.db2.gz IDHQDGJNRKCGTD-UHFFFAOYSA-N 1 1 327.396 2.955 10 10 EFCEMO COc1cccc(C[NH2+]Cc2cnn(-c3cc(C)cc(C)c3)n2)c1O ZINC000809739988 1282438586 /nfs/dbraw/zinc/43/85/86/1282438586.db2.gz JNWABPXTQZBBAG-UHFFFAOYSA-N 1 1 338.411 2.888 10 10 EFCEMO COc1ccc(O)c([C@@H](C)NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810347973 1283169212 /nfs/dbraw/zinc/16/92/12/1283169212.db2.gz OVVXSSVTRRYCCB-KZULUSFZSA-N 1 1 338.423 2.791 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CCC[C@]3(CCOC3)O2)cc1 ZINC001171729931 1285747149 /nfs/dbraw/zinc/74/71/49/1285747149.db2.gz PECJZTXWHSKEJQ-WOJBJXKFSA-N 1 1 348.487 2.791 10 10 EFCEMO c1ccc(-n2nnnc2C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC001649145574 1288112899 /nfs/dbraw/zinc/11/28/99/1288112899.db2.gz YUQABMDLYJSIFV-UHFFFAOYSA-N 1 1 348.454 2.942 10 10 EFCEMO COC1CCN(c2ccc(C[N@H+](C)Cc3ccn(C)n3)cc2)CC1 ZINC001176887492 1288162181 /nfs/dbraw/zinc/16/21/81/1288162181.db2.gz RXHCJBOYDVHTJA-UHFFFAOYSA-N 1 1 328.460 2.667 10 10 EFCEMO COC1CCN(c2ccc(C[N@@H+](C)Cc3ccn(C)n3)cc2)CC1 ZINC001176887492 1288162188 /nfs/dbraw/zinc/16/21/88/1288162188.db2.gz RXHCJBOYDVHTJA-UHFFFAOYSA-N 1 1 328.460 2.667 10 10 EFCEMO COc1ccc(O)c(C[NH2+][C@H](C)c2ncc(Br)cn2)c1 ZINC000816627022 1288215871 /nfs/dbraw/zinc/21/58/71/1288215871.db2.gz CKQIIEKURVKYHL-SECBINFHSA-N 1 1 338.205 2.804 10 10 EFCEMO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)[C@@H]1n1cccn1 ZINC000816673430 1288239011 /nfs/dbraw/zinc/23/90/11/1288239011.db2.gz YTGRAYQVUGAWNJ-IMJJTQAJSA-N 1 1 339.798 2.890 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@@H]2CC23CCSCC3)ccc1[N+](=O)[O-] ZINC000817409472 1288589839 /nfs/dbraw/zinc/58/98/39/1288589839.db2.gz CMJHPPXFVHHCJR-LBPRGKRZSA-N 1 1 338.429 2.932 10 10 EFCEMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000817414171 1288592069 /nfs/dbraw/zinc/59/20/69/1288592069.db2.gz GUMBMXCQGPVPCN-ZBFHGGJFSA-N 1 1 333.432 2.930 10 10 EFCEMO COc1c([O-])c(C[NH2+]CCN(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774984134 1290887109 /nfs/dbraw/zinc/88/71/09/1290887109.db2.gz RNCAZEHYZPINKU-UHFFFAOYSA-N 1 1 337.420 2.663 10 10 EFCEMO Oc1ccc(Br)cc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000825893366 1290983840 /nfs/dbraw/zinc/98/38/40/1290983840.db2.gz XMLDKZLARUGDCJ-UHFFFAOYSA-N 1 1 337.221 2.761 10 10 EFCEMO COc1c(O)c(C[NH2+]CCC[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000775038553 1290995751 /nfs/dbraw/zinc/99/57/51/1290995751.db2.gz VNOVGNCLRRIHMW-IUODEOHRSA-N 1 1 338.404 2.730 10 10 EFCEMO Oc1ccccc1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@H]1CCCO1 ZINC000249271507 1291333610 /nfs/dbraw/zinc/33/36/10/1291333610.db2.gz JFKCHRIWHWFGFU-UONOGXRCSA-N 1 1 333.350 2.687 10 10 EFCEMO COC(=O)[C@H](CC(C)C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000795869454 1291598402 /nfs/dbraw/zinc/59/84/02/1291598402.db2.gz XJPPVAFQWQIYMY-SFHVURJKSA-N 1 1 334.460 2.795 10 10 EFCEMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826124065 1292268356 /nfs/dbraw/zinc/26/83/56/1292268356.db2.gz ZYJVNGFNOUEPJE-LBPRGKRZSA-N 1 1 329.849 2.692 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(Br)cc1O)C[C@@H]1CCC(=O)N1 ZINC000826123404 1292271710 /nfs/dbraw/zinc/27/17/10/1292271710.db2.gz MKBRUTTZYUAUPL-ZDUSSCGKSA-N 1 1 341.249 2.644 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(Br)cc1O)C[C@H]1CCC(=O)N1 ZINC000826123403 1292272113 /nfs/dbraw/zinc/27/21/13/1292272113.db2.gz MKBRUTTZYUAUPL-CYBMUJFWSA-N 1 1 341.249 2.644 10 10 EFCEMO C[C@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000775408283 1292299780 /nfs/dbraw/zinc/29/97/80/1292299780.db2.gz YLQGECJJJMUJKO-AWEZNQCLSA-N 1 1 326.444 2.705 10 10 EFCEMO Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c1O ZINC000775663915 1293960250 /nfs/dbraw/zinc/96/02/50/1293960250.db2.gz HJYBMDVFFQISMV-CYBMUJFWSA-N 1 1 341.249 2.693 10 10 EFCEMO Cc1cc(Cl)cc(C[NH+]2CCN(C3=NC[C@@H](C)S3)CC2)c1O ZINC000775718798 1294254277 /nfs/dbraw/zinc/25/42/77/1294254277.db2.gz PEYPXVNJQNCNRQ-GFCCVEGCSA-N 1 1 339.892 2.963 10 10 EFCEMO COC(=O)C[N@H+](Cc1cc(Cl)cc(C)c1O)C1CCOCC1 ZINC000775724764 1294287073 /nfs/dbraw/zinc/28/70/73/1294287073.db2.gz QTTNMWQCWAQXOR-UHFFFAOYSA-N 1 1 327.808 2.508 10 10 EFCEMO COC(=O)C[N@@H+](Cc1cc(Cl)cc(C)c1O)C1CCOCC1 ZINC000775724764 1294287078 /nfs/dbraw/zinc/28/70/78/1294287078.db2.gz QTTNMWQCWAQXOR-UHFFFAOYSA-N 1 1 327.808 2.508 10 10 EFCEMO Cc1cc(Br)cc(C[N@H+]2CCSC[C@@H]2CCO)c1O ZINC000775736634 1294321507 /nfs/dbraw/zinc/32/15/07/1294321507.db2.gz CGNCROIMJRUEFO-ZDUSSCGKSA-N 1 1 346.290 2.763 10 10 EFCEMO C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C1CCCC1 ZINC001197809261 1294726781 /nfs/dbraw/zinc/72/67/81/1294726781.db2.gz RJIDKQFSEJRYNF-SFHVURJKSA-N 1 1 343.515 2.972 10 10 EFCEMO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000886186147 1294753767 /nfs/dbraw/zinc/75/37/67/1294753767.db2.gz QQUHJSAKTVILHT-QUCCMNQESA-N 1 1 331.504 2.876 10 10 EFCEMO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000886186148 1294755174 /nfs/dbraw/zinc/75/51/74/1294755174.db2.gz 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CC[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccc(F)cc1O ZINC000850486923 1250503758 /nfs/dbraw/zinc/50/37/58/1250503758.db2.gz WIJQLZAUYKOXOZ-CQSZACIVSA-N 1 1 329.437 2.787 10 10 EFCEMO C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1cc(F)cc(F)c1O ZINC000850497597 1250511667 /nfs/dbraw/zinc/51/16/67/1250511667.db2.gz VYNBISPLIBNTRM-SGWXMTNESA-N 1 1 331.306 2.632 10 10 EFCEMO C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1ccc(F)cc1O ZINC000850556575 1250534154 /nfs/dbraw/zinc/53/41/54/1250534154.db2.gz HPOSDHLUYWTBHW-MORSLUCNSA-N 1 1 334.435 2.825 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000922523119 1266196456 /nfs/dbraw/zinc/19/64/56/1266196456.db2.gz IENGQLLHJUSGHU-CHWSQXEVSA-N 1 1 330.856 2.854 10 10 EFCEMO [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843127849 1261085034 /nfs/dbraw/zinc/08/50/34/1261085034.db2.gz UBOUKSNQNOHMSV-TXEJJXNPSA-N 1 1 325.250 2.586 10 10 EFCEMO CCc1cc(C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)n[nH]1 ZINC001485847236 1262421221 /nfs/dbraw/zinc/42/12/21/1262421221.db2.gz JGFRHCULXQQAIM-AWEZNQCLSA-N 1 1 344.459 2.539 10 10 EFCEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584538 1278198295 /nfs/dbraw/zinc/19/82/95/1278198295.db2.gz OJISEOGWCONCOX-IUODEOHRSA-N 1 1 343.393 2.642 10 10 EFCEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000791584538 1278198306 /nfs/dbraw/zinc/19/83/06/1278198306.db2.gz OJISEOGWCONCOX-IUODEOHRSA-N 1 1 343.393 2.642 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824653619 1278217822 /nfs/dbraw/zinc/21/78/22/1278217822.db2.gz CNOJZKOGMVYUQJ-WDMOLILDSA-N 1 1 329.799 2.547 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824653619 1278217826 /nfs/dbraw/zinc/21/78/26/1278217826.db2.gz CNOJZKOGMVYUQJ-WDMOLILDSA-N 1 1 329.799 2.547 10 10 EFCEMO COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1OC ZINC000824696948 1278229148 /nfs/dbraw/zinc/22/91/48/1278229148.db2.gz VQJNQNHYYZCWIB-BZUAXINKSA-N 1 1 335.444 2.925 10 10 EFCEMO CCCN(Cc1cc(Br)cc(F)c1O)[C@@H]1CC[NH2+]C1 ZINC000715771151 1264940797 /nfs/dbraw/zinc/94/07/97/1264940797.db2.gz SRLYVIISGOQPMZ-GFCCVEGCSA-N 1 1 331.229 2.868 10 10 EFCEMO CCO[C@@H](CNCc1cc(OC)cc(C(C)(C)C)c1O)C[NH+](C)C ZINC000922756649 1266742163 /nfs/dbraw/zinc/74/21/63/1266742163.db2.gz RJRXSOKAQNBTFU-INIZCTEOSA-N 1 1 338.492 2.755 10 10 EFCEMO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000824800173 1278290003 /nfs/dbraw/zinc/29/00/03/1278290003.db2.gz ULMDVNWYGQBVET-PZJWPPBQSA-N 1 1 345.531 2.979 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000824799781 1278290131 /nfs/dbraw/zinc/29/01/31/1278290131.db2.gz QYPUQGQTUHJULA-IUODEOHRSA-N 1 1 338.404 2.850 10 10 EFCEMO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000824800175 1278290974 /nfs/dbraw/zinc/29/09/74/1278290974.db2.gz ULMDVNWYGQBVET-TZIWHRDSSA-N 1 1 345.531 2.979 10 10 EFCEMO Cc1cc(O)c(C[N@@H+](C)C[C@@H]2CCS(=O)(=O)C2)cc1C(C)C 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2.553 10 10 EFCEMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000826124064 1292268172 /nfs/dbraw/zinc/26/81/72/1292268172.db2.gz ZYJVNGFNOUEPJE-GFCCVEGCSA-N 1 1 329.849 2.692 10 10 EFCEMO CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CC2)COCCO3)c1O ZINC000880542186 1292540149 /nfs/dbraw/zinc/54/01/49/1292540149.db2.gz TZLKDCMLWPERCQ-UHFFFAOYSA-N 1 1 339.819 2.630 10 10 EFCEMO COc1ccc(N(C)CC[N@H+](C)CC(=O)N(C)[C@H](C)CC(C)C)cc1 ZINC001195789085 1294035816 /nfs/dbraw/zinc/03/58/16/1294035816.db2.gz JSEHQAAQBJLCQW-QGZVFWFLSA-N 1 1 349.519 2.956 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)N(C)[C@H](C)CC(C)C)cc1 ZINC001195789085 1294035825 /nfs/dbraw/zinc/03/58/25/1294035825.db2.gz JSEHQAAQBJLCQW-QGZVFWFLSA-N 1 1 349.519 2.956 10 10 EFCEMO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)nn1 ZINC000796343149 1294518543 /nfs/dbraw/zinc/51/85/43/1294518543.db2.gz QKIKGZAOSMNFPE-UHFFFAOYSA-N 1 1 333.439 2.668 10 10 EFCEMO C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CC[N@H+]1C1CCCC1 ZINC001197809260 1294725264 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2.640 10 10 EFCEMO Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929969977 1297219368 /nfs/dbraw/zinc/21/93/68/1297219368.db2.gz GOUNILJSRIAUTP-AYBZRNKSSA-N 1 1 329.396 2.791 10 10 EFCEMO COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCO[C@H](C)C1 ZINC000779012931 1297743137 /nfs/dbraw/zinc/74/31/37/1297743137.db2.gz KUXIYSMCIMJIDD-OLZOCXBDSA-N 1 1 341.835 2.836 10 10 EFCEMO COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CCO[C@H](C)C1 ZINC000779012931 1297743143 /nfs/dbraw/zinc/74/31/43/1297743143.db2.gz KUXIYSMCIMJIDD-OLZOCXBDSA-N 1 1 341.835 2.836 10 10 EFCEMO [NH3+]Cc1nc2c(s1)CCN(Cc1c(O)ccc(Cl)c1F)C2 ZINC000903943731 1313460529 /nfs/dbraw/zinc/46/05/29/1313460529.db2.gz AZQOSCXCDDTPHP-UHFFFAOYSA-N 1 1 327.812 2.658 10 10 EFCEMO [NH3+][C@H]1CN(Cc2cc(Cl)cc(F)c2O)CC[C@H]1C(F)(F)F ZINC000903983869 1313535969 /nfs/dbraw/zinc/53/59/69/1313535969.db2.gz MYFPWYMJYPGLHO-KOLCDFICSA-N 1 1 326.721 2.896 10 10 EFCEMO Oc1ccccc1C[N@@H+](CCO[C@H]1CC1(F)F)C[C@H]1CCCO1 ZINC000851841528 1299428953 /nfs/dbraw/zinc/42/89/53/1299428953.db2.gz VHZFAPANEPWUET-ZBFHGGJFSA-N 1 1 327.371 2.797 10 10 EFCEMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851988420 1299493717 /nfs/dbraw/zinc/49/37/17/1299493717.db2.gz YHFQDGJQIZQVCN-SFHVURJKSA-N 1 1 344.503 2.959 10 10 EFCEMO COC1CCN(c2ccc(C[N@@H+]3CCc4nccnc4C3)cc2)CC1 ZINC000852698798 1299818868 /nfs/dbraw/zinc/81/88/68/1299818868.db2.gz ZCIGYXUEWCVCFC-UHFFFAOYSA-N 1 1 338.455 2.650 10 10 EFCEMO COC1CCN(c2ccc(C[N@H+]3CCc4nccnc4C3)cc2)CC1 ZINC000852698798 1299818876 /nfs/dbraw/zinc/81/88/76/1299818876.db2.gz ZCIGYXUEWCVCFC-UHFFFAOYSA-N 1 1 338.455 2.650 10 10 EFCEMO OCC1(c2ccccc2)C[NH+](Cc2c(O)cccc2Br)C1 ZINC000862394018 1302365938 /nfs/dbraw/zinc/36/59/38/1302365938.db2.gz BLZAYCYLNLKACC-UHFFFAOYSA-N 1 1 348.240 2.901 10 10 EFCEMO C[C@](CO)([NH2+]Cc1cc(Cl)c(F)cc1O)c1cccc(O)c1 ZINC000862432802 1302383668 /nfs/dbraw/zinc/38/36/68/1302383668.db2.gz NSTYXFXGDVPUKZ-MRXNPFEDSA-N 1 1 325.767 2.888 10 10 EFCEMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000862473466 1302393239 /nfs/dbraw/zinc/39/32/39/1302393239.db2.gz RPSDESQTHFBCPT-MOPGFXCFSA-N 1 1 331.529 2.908 10 10 EFCEMO CN1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000862473466 1302393251 /nfs/dbraw/zinc/39/32/51/1302393251.db2.gz RPSDESQTHFBCPT-MOPGFXCFSA-N 1 1 331.529 2.908 10 10 EFCEMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000863297376 1302580811 /nfs/dbraw/zinc/58/08/11/1302580811.db2.gz ZLKZNFCEGNZZSY-IBGZPJMESA-N 1 1 335.444 2.762 10 10 EFCEMO COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3CCC[N@H+]3C)c2C)cc1 ZINC000863506647 1302636080 /nfs/dbraw/zinc/63/60/80/1302636080.db2.gz HMOBGDKCJVDZLW-KRWDZBQOSA-N 1 1 341.455 2.927 10 10 EFCEMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000865925736 1303456731 /nfs/dbraw/zinc/45/67/31/1303456731.db2.gz MDHCONRPLLPSOA-HEWZJLJBSA-N 1 1 347.415 2.702 10 10 EFCEMO Cc1cc(C(=O)CN2CC[C@H]3C[N@H+](C)C[C@@H]32)c(C)n1-c1ccccc1 ZINC000794954169 1303806354 /nfs/dbraw/zinc/80/63/54/1303806354.db2.gz MOPOKQVBTOHVLK-PXNSSMCTSA-N 1 1 337.467 2.913 10 10 EFCEMO Cc1cc(C(=O)CN2CC[C@H]3C[N@H+](C)C[C@H]32)c(C)n1-c1ccccc1 ZINC000794954167 1303806752 /nfs/dbraw/zinc/80/67/52/1303806752.db2.gz MOPOKQVBTOHVLK-FXAWDEMLSA-N 1 1 337.467 2.913 10 10 EFCEMO O=C(NCCCSc1nccs1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900683914 1308524884 /nfs/dbraw/zinc/52/48/84/1308524884.db2.gz TULMGHPIYUZAJM-QWHCGFSZSA-N 1 1 325.503 2.758 10 10 EFCEMO Cc1cc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c(C)n1-c1ccccn1 ZINC001159013127 1311433548 /nfs/dbraw/zinc/43/35/48/1311433548.db2.gz YDHGJUCTURPLIO-UHFFFAOYSA-N 1 1 340.471 2.951 10 10 EFCEMO CCCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000902765712 1312087722 /nfs/dbraw/zinc/08/77/22/1312087722.db2.gz ADAOYNZEHNPDHD-HZPDHXFCSA-N 1 1 343.475 2.937 10 10 EFCEMO CCCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000903056536 1312315011 /nfs/dbraw/zinc/31/50/11/1312315011.db2.gz QFYIQKSXEQHYQL-HNNXBMFYSA-N 1 1 343.475 2.500 10 10 EFCEMO C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1cc(F)cc(F)c1O ZINC000903347428 1312586789 /nfs/dbraw/zinc/58/67/89/1312586789.db2.gz OHEPPDXOUMFBHH-NSHDSACASA-N 1 1 327.371 2.643 10 10 EFCEMO COc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000179473420 1314703011 /nfs/dbraw/zinc/70/30/11/1314703011.db2.gz LIHHMUVRYJMWAZ-AWEZNQCLSA-N 1 1 336.432 2.842 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3cnc4c(C)cccn34)CC2)cc1 ZINC000179530565 1314704882 /nfs/dbraw/zinc/70/48/82/1314704882.db2.gz YPHOASIMBZSWPN-UHFFFAOYSA-N 1 1 336.439 2.974 10 10 EFCEMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151761 1315602003 /nfs/dbraw/zinc/60/20/03/1315602003.db2.gz JFYNCXJOSGONGW-HNNXBMFYSA-N 1 1 326.234 2.892 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000827544520 1315997738 /nfs/dbraw/zinc/99/77/38/1315997738.db2.gz DDIVHKZEKZMWCB-GOSISDBHSA-N 1 1 332.492 2.721 10 10 EFCEMO CC[N@H+]1CCCC[C@@H]1Cn1c(C)nnc1N(C)Cc1ccccc1O ZINC001296081193 1322850232 /nfs/dbraw/zinc/85/02/32/1322850232.db2.gz QNDNZFAGBLYPBP-QGZVFWFLSA-N 1 1 343.475 2.803 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001301036953 1324519577 /nfs/dbraw/zinc/51/95/77/1324519577.db2.gz AKVDISLBFQRYIX-HNNXBMFYSA-N 1 1 343.431 2.986 10 10 EFCEMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](O)CN(C)CC(F)(F)F ZINC001307722140 1324778100 /nfs/dbraw/zinc/77/81/00/1324778100.db2.gz QCBMAYXVPSNCFF-HNNXBMFYSA-N 1 1 348.409 2.849 10 10 EFCEMO Oc1cccc(Br)c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001329061140 1330662097 /nfs/dbraw/zinc/66/20/97/1330662097.db2.gz JTPYQLICCDDJQC-YWXMQNBFSA-N 1 1 326.234 2.748 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333734559 1331204563 /nfs/dbraw/zinc/20/45/63/1331204563.db2.gz PCUAYGIQELDKME-NSHDSACASA-N 1 1 329.799 2.548 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333734559 1331204567 /nfs/dbraw/zinc/20/45/67/1331204567.db2.gz PCUAYGIQELDKME-NSHDSACASA-N 1 1 329.799 2.548 10 10 EFCEMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1 ZINC001347935712 1332786274 /nfs/dbraw/zinc/78/62/74/1332786274.db2.gz OTWAMOMBHURMGO-IVZVJUQRSA-N 1 1 327.472 2.756 10 10 EFCEMO O=C(NCc1cccc(O)c1O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001348046756 1332795296 /nfs/dbraw/zinc/79/52/96/1332795296.db2.gz JVVYLSFXPYOHIT-INIZCTEOSA-N 1 1 344.386 2.518 10 10 EFCEMO O=C(NCc1cccc(O)c1O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC001348046756 1332795302 /nfs/dbraw/zinc/79/53/02/1332795302.db2.gz JVVYLSFXPYOHIT-INIZCTEOSA-N 1 1 344.386 2.518 10 10 EFCEMO O=[N+]([O-])c1cc(CNCCC[NH+]2CCC2)ccc1N1CCCCC1 ZINC000848545196 1334786666 /nfs/dbraw/zinc/78/66/66/1334786666.db2.gz BKWBRWBCLNLHFV-UHFFFAOYSA-N 1 1 332.448 2.771 10 10 EFCEMO CC[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCCCO1 ZINC000848575510 1334802904 /nfs/dbraw/zinc/80/29/04/1334802904.db2.gz RSHFOBOPVPKSSP-PMACEKPBSA-N 1 1 331.504 2.876 10 10 EFCEMO Cn1c(Cl)ncc1C[NH2+]Cc1cccc(Br)c1O ZINC000848907049 1334977064 /nfs/dbraw/zinc/97/70/64/1334977064.db2.gz HCZRTBKZMIYOIT-UHFFFAOYSA-N 1 1 330.613 2.831 10 10 EFCEMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000848929926 1334994854 /nfs/dbraw/zinc/99/48/54/1334994854.db2.gz LLGXDUBXJFHBHN-OMUFJYGLSA-N 1 1 343.515 2.953 10 10 EFCEMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000848929928 1334994993 /nfs/dbraw/zinc/99/49/93/1334994993.db2.gz LLGXDUBXJFHBHN-VEBBDIFPSA-N 1 1 343.515 2.953 10 10 EFCEMO Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC001478840374 1397591756 /nfs/dbraw/zinc/59/17/56/1397591756.db2.gz BANNNVMLZSCCEY-DOTOQJQBSA-N 1 1 346.519 2.633 10 10 EFCEMO C[C@H]1[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC[N@H+]1C ZINC001479377624 1397707969 /nfs/dbraw/zinc/70/79/69/1397707969.db2.gz WNIFQUPWQQVZMR-YJBOKZPZSA-N 1 1 330.476 2.521 10 10 EFCEMO C[C@@H](C[N@@H+](C)CCC1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001498463816 1402124533 /nfs/dbraw/zinc/12/45/33/1402124533.db2.gz FHRZMXQCHWRUGE-LBPRGKRZSA-N 1 1 331.420 2.699 10 10 EFCEMO NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC001556500077 1415073411 /nfs/dbraw/zinc/07/34/11/1415073411.db2.gz VZRAXZJNTAPFOO-HNNXBMFYSA-N 1 1 329.404 2.596 10 10 EFCEMO COC[C@H](C[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O)C(C)C ZINC001559607778 1415251254 /nfs/dbraw/zinc/25/12/54/1415251254.db2.gz XHGBCFVQUAXEFB-AWEZNQCLSA-N 1 1 343.851 2.939 10 10 EFCEMO COC[C@H](C[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O)C(C)C ZINC001559607778 1415251259 /nfs/dbraw/zinc/25/12/59/1415251259.db2.gz XHGBCFVQUAXEFB-AWEZNQCLSA-N 1 1 343.851 2.939 10 10 EFCEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCC1(CC)CC)cc2=O ZINC001560119985 1415264148 /nfs/dbraw/zinc/26/41/48/1415264148.db2.gz CYYFBMDDJWRRAG-UHFFFAOYSA-N 1 1 346.431 2.766 10 10 EFCEMO CCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001565128578 1415390344 /nfs/dbraw/zinc/39/03/44/1415390344.db2.gz IQKPUULDIDCEIU-GOSISDBHSA-N 1 1 344.503 2.913 10 10 EFCEMO COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2C)cc1 ZINC001565667592 1415409391 /nfs/dbraw/zinc/40/93/91/1415409391.db2.gz JCZNJFDNNJAYJU-MRXNPFEDSA-N 1 1 341.455 2.927 10 10 EFCEMO CC1(C)CC[N@@H+](CCNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC001685648886 1416770011 /nfs/dbraw/zinc/77/00/11/1416770011.db2.gz WVUSPZUDHXBGNC-UHFFFAOYSA-N 1 1 325.840 2.577 10 10 EFCEMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)CC(C)(C)S(C)(=O)=O ZINC000160514488 714247487 /nfs/dbraw/zinc/24/74/87/714247487.db2.gz KYVBKRNARDILES-UHFFFAOYSA-N 1 1 325.474 2.526 10 10 EFCEMO CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000247533185 715165091 /nfs/dbraw/zinc/16/50/91/715165091.db2.gz XSZCGXYLKQUFMV-VQIMIIECSA-N 1 1 344.503 2.911 10 10 EFCEMO CCC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382287 717178420 /nfs/dbraw/zinc/17/84/20/717178420.db2.gz LAAKPSOGEOMTND-IBGZPJMESA-N 1 1 345.487 2.655 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@H]2CCC3(CCC3)CO2)ccc1[N+](=O)[O-] ZINC000895809063 724320354 /nfs/dbraw/zinc/32/03/54/724320354.db2.gz FOMOYUCOINYUNL-CYBMUJFWSA-N 1 1 336.388 2.748 10 10 EFCEMO CCCn1cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000121308712 724320974 /nfs/dbraw/zinc/32/09/74/724320974.db2.gz KDSGZSKHBPQQAZ-UHFFFAOYSA-N 1 1 328.460 2.762 10 10 EFCEMO [O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467783 717468165 /nfs/dbraw/zinc/46/81/65/717468165.db2.gz GPCXEXVVEPGRRY-LBPRGKRZSA-N 1 1 337.221 2.583 10 10 EFCEMO Oc1c(Br)cccc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179467783 717468170 /nfs/dbraw/zinc/46/81/70/717468170.db2.gz GPCXEXVVEPGRRY-LBPRGKRZSA-N 1 1 337.221 2.583 10 10 EFCEMO CCC[N@H+](Cc1csc(CC(=O)NC)n1)Cc1ccccc1O ZINC000177592837 718121890 /nfs/dbraw/zinc/12/18/90/718121890.db2.gz OOVKAWNPDXTSNV-UHFFFAOYSA-N 1 1 333.457 2.549 10 10 EFCEMO CCC[N@@H+](Cc1csc(CC(=O)NC)n1)Cc1ccccc1O ZINC000177592837 718121892 /nfs/dbraw/zinc/12/18/92/718121892.db2.gz OOVKAWNPDXTSNV-UHFFFAOYSA-N 1 1 333.457 2.549 10 10 EFCEMO CCOc1cccc(C[NH2+]Cc2nn(C)cc2Br)c1O ZINC000393321648 718287433 /nfs/dbraw/zinc/28/74/33/718287433.db2.gz BVKJDFRUVOHGRD-UHFFFAOYSA-N 1 1 340.221 2.577 10 10 EFCEMO CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000925817407 718956098 /nfs/dbraw/zinc/95/60/98/718956098.db2.gz RMPSVFNHKPMQGR-HNNXBMFYSA-N 1 1 345.409 2.875 10 10 EFCEMO COc1ccc(N2CCC[N@@H+](Cc3c(C)ccnc3N)CC2)cc1 ZINC000893970012 720189404 /nfs/dbraw/zinc/18/94/04/720189404.db2.gz XABDSRHFJJGAQP-UHFFFAOYSA-N 1 1 326.444 2.693 10 10 EFCEMO CCN(CC)C(=O)C1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC000893977892 720194108 /nfs/dbraw/zinc/19/41/08/720194108.db2.gz MVJPAKASVMBBQN-UHFFFAOYSA-N 1 1 326.387 2.751 10 10 EFCEMO CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC[N@H+]1C ZINC000866898939 721716471 /nfs/dbraw/zinc/71/64/71/721716471.db2.gz ATPSDZOHEVFVOU-FGTMMUONSA-N 1 1 346.471 2.630 10 10 EFCEMO COC(=O)c1c(C[N@H+]2CCC[C@](C)(O)CC2)c2cc(F)ccc2n1C ZINC000894603203 722789949 /nfs/dbraw/zinc/78/99/49/722789949.db2.gz NEQPHGSIOIGVIV-IBGZPJMESA-N 1 1 348.418 2.841 10 10 EFCEMO Cc1cc(O)c(C[N@H+]2CCc3nc[nH]c3C23CCOCC3)cc1C ZINC000895071522 723179611 /nfs/dbraw/zinc/17/96/11/723179611.db2.gz QHKUCUGRAVPTFQ-UHFFFAOYSA-N 1 1 327.428 2.796 10 10 EFCEMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896294232 723244821 /nfs/dbraw/zinc/24/48/21/723244821.db2.gz QWDONXNFFPNPJV-LBPRGKRZSA-N 1 1 334.441 2.917 10 10 EFCEMO CCC[N@H+](CC(=O)OC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000918177872 728849630 /nfs/dbraw/zinc/84/96/30/728849630.db2.gz MEOHVJXNHLEKQZ-UHFFFAOYSA-N 1 1 345.395 2.717 10 10 EFCEMO CCC[N@@H+](CC(=O)OC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000918177872 728849634 /nfs/dbraw/zinc/84/96/34/728849634.db2.gz MEOHVJXNHLEKQZ-UHFFFAOYSA-N 1 1 345.395 2.717 10 10 EFCEMO COC(=O)c1c(C[N@H+]2CC[C@H]3COC[C@H]3C2)c2cc(F)ccc2n1C ZINC000895336198 724044215 /nfs/dbraw/zinc/04/42/15/724044215.db2.gz QJAJZOVUOBRUOU-QWHCGFSZSA-N 1 1 346.402 2.572 10 10 EFCEMO O=C1N(CC[NH2+]Cc2cc(Cl)c(F)cc2O)C[C@@H]2CCCCN12 ZINC000895343863 724052362 /nfs/dbraw/zinc/05/23/62/724052362.db2.gz MKZQIFAWTMSQGS-LBPRGKRZSA-N 1 1 341.814 2.564 10 10 EFCEMO O=C1N(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@@H]2CCCCN12 ZINC000895347114 724054816 /nfs/dbraw/zinc/05/48/16/724054816.db2.gz ZGPZYGDWMGVSRR-NSHDSACASA-N 1 1 341.814 2.564 10 10 EFCEMO COC(=O)c1c(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c2cc(F)ccc2n1C ZINC000895376704 724087426 /nfs/dbraw/zinc/08/74/26/724087426.db2.gz IKRYBXYZENCDTG-CHWSQXEVSA-N 1 1 348.418 2.554 10 10 EFCEMO COc1ccc(O)c(C[NH+]2CCN(CCCOC(C)(C)C)CC2)c1 ZINC000895646149 724241989 /nfs/dbraw/zinc/24/19/89/724241989.db2.gz VSTKKLCJIGSGET-UHFFFAOYSA-N 1 1 336.476 2.724 10 10 EFCEMO COc1cc(C[N@@H+]2CCCn3nncc3C2)c(O)c(C(C)(C)C)c1 ZINC000895756401 724300212 /nfs/dbraw/zinc/30/02/12/724300212.db2.gz IASGRWFNDLRYCX-UHFFFAOYSA-N 1 1 330.432 2.696 10 10 EFCEMO COc1cc(C[N@H+]2CCCn3nncc3C2)c(O)c(C(C)(C)C)c1 ZINC000895756401 724300217 /nfs/dbraw/zinc/30/02/17/724300217.db2.gz IASGRWFNDLRYCX-UHFFFAOYSA-N 1 1 330.432 2.696 10 10 EFCEMO COc1cc(Br)cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1O ZINC000895780518 724318229 /nfs/dbraw/zinc/31/82/29/724318229.db2.gz LJIWVTPWCHJUAU-PHIMTYICSA-N 1 1 344.274 2.958 10 10 EFCEMO Fc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1N1CCOCC1 ZINC000895845898 724347563 /nfs/dbraw/zinc/34/75/63/724347563.db2.gz PRYRZDJNHRYXGP-APWZRJJASA-N 1 1 334.435 2.663 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)C[C@H]2CCCO2)c1O ZINC000151724974 725815545 /nfs/dbraw/zinc/81/55/45/725815545.db2.gz CJBPEXINPYQIMI-CQSZACIVSA-N 1 1 329.396 2.943 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@H+](C)Cc2cc[nH]n2)c1O ZINC000732671118 727183774 /nfs/dbraw/zinc/18/37/74/727183774.db2.gz SZQOJRXHTRTUAB-UHFFFAOYSA-N 1 1 325.368 2.687 10 10 EFCEMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2cc[nH]n2)c1O ZINC000732671118 727183775 /nfs/dbraw/zinc/18/37/75/727183775.db2.gz SZQOJRXHTRTUAB-UHFFFAOYSA-N 1 1 325.368 2.687 10 10 EFCEMO COc1cc(C[NH+]2CCN(C(=O)C(C)C)CC2)c(O)c(C(C)(C)C)c1 ZINC000915832875 727198518 /nfs/dbraw/zinc/19/85/18/727198518.db2.gz IJWNSKHRTXVONR-UHFFFAOYSA-N 1 1 348.487 2.999 10 10 EFCEMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841085720 727210562 /nfs/dbraw/zinc/21/05/62/727210562.db2.gz BNIVYZANOSPJSL-BXUZGUMPSA-N 1 1 339.823 2.918 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000180530382 729754941 /nfs/dbraw/zinc/75/49/41/729754941.db2.gz UQTGPYMPSUSICV-CQSZACIVSA-N 1 1 336.432 2.890 10 10 EFCEMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2ccnnc2)C1 ZINC001583530520 1092027790 /nfs/dbraw/zinc/02/77/90/1092027790.db2.gz JXAUNAMMNWKQIL-UHFFFAOYSA-N 1 1 349.438 2.837 10 10 EFCEMO CC(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001267596227 1096119626 /nfs/dbraw/zinc/11/96/26/1096119626.db2.gz NAEFFUOCJUEOGY-CQSZACIVSA-N 1 1 345.447 2.899 10 10 EFCEMO COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781910383 1098697390 /nfs/dbraw/zinc/69/73/90/1098697390.db2.gz VQTWSHWTFOVXNB-HNNXBMFYSA-N 1 1 342.233 2.848 10 10 EFCEMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000781910383 1098697393 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EFCEMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C2CCS(=O)CC2)c1O ZINC001657574504 1102395120 /nfs/dbraw/zinc/39/51/20/1102395120.db2.gz UQXJSPUEZBQBAV-UHFFFAOYSA-N 1 1 329.849 2.591 10 10 EFCEMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCS(=O)CC2)c1O ZINC001657574504 1102395131 /nfs/dbraw/zinc/39/51/31/1102395131.db2.gz UQXJSPUEZBQBAV-UHFFFAOYSA-N 1 1 329.849 2.591 10 10 EFCEMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC001658023808 1102428719 /nfs/dbraw/zinc/42/87/19/1102428719.db2.gz PDNMYVNVSJDMML-LLVKDONJSA-N 1 1 325.368 2.900 10 10 EFCEMO CN(C)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000076204494 1102661377 /nfs/dbraw/zinc/66/13/77/1102661377.db2.gz OQPGRABJLBAFMX-GOSISDBHSA-N 1 1 344.503 2.816 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CC[C@@]3(CC(F)(F)C3(F)F)C1)[C@H](O)CO2 ZINC000905678821 1103494272 /nfs/dbraw/zinc/49/42/72/1103494272.db2.gz RBCQQAXFYYNYQW-TZMCWYRMSA-N 1 1 347.308 2.684 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](Cc3nccs3)C1)[C@H](O)CO2 ZINC000905732951 1103567935 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C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CN1CCO ZINC000841892458 1105854484 /nfs/dbraw/zinc/85/44/84/1105854484.db2.gz ZERWVGBRZFCWOO-ROUUACIJSA-N 1 1 331.504 2.564 10 10 EFCEMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)CN1CCO ZINC000841892458 1105854491 /nfs/dbraw/zinc/85/44/91/1105854491.db2.gz ZERWVGBRZFCWOO-ROUUACIJSA-N 1 1 331.504 2.564 10 10 EFCEMO CC[N@@H+](C)[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001673744235 1106080845 /nfs/dbraw/zinc/08/08/45/1106080845.db2.gz KMYVURMFUWESPH-LPHOPBHVSA-N 1 1 346.519 2.728 10 10 EFCEMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC001673745485 1106081089 /nfs/dbraw/zinc/08/10/89/1106081089.db2.gz UYEJMSINGXLLDJ-VQIMIIECSA-N 1 1 346.519 2.776 10 10 EFCEMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926961730 1108304004 /nfs/dbraw/zinc/30/40/04/1108304004.db2.gz JKQAZCVZHLKLIC-HZMBPMFUSA-N 1 1 348.365 2.712 10 10 EFCEMO CC[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccc(F)cc1O ZINC000796857257 1108851590 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EFCEMO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCCN3C3CC3)C1)OCO2 ZINC000246742727 240271742 /nfs/dbraw/zinc/27/17/42/240271742.db2.gz WVFJGNIEIAKBED-XJKSGUPXSA-N 1 1 330.428 2.570 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCCN3C3CC3)C1)OCO2 ZINC000246742727 240271750 /nfs/dbraw/zinc/27/17/50/240271750.db2.gz WVFJGNIEIAKBED-XJKSGUPXSA-N 1 1 330.428 2.570 10 10 EFCEMO CN(C)c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000247355043 240280249 /nfs/dbraw/zinc/28/02/49/240280249.db2.gz YIZWWKITFNBGJH-DOTOQJQBSA-N 1 1 348.466 2.517 10 10 EFCEMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000294125096 241033050 /nfs/dbraw/zinc/03/30/50/241033050.db2.gz GRHKBCBGVRKNNR-GFCCVEGCSA-N 1 1 336.798 2.733 10 10 EFCEMO CCn1ccnc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000296278889 241081103 /nfs/dbraw/zinc/08/11/03/241081103.db2.gz DXSWOWQRDRYCPO-AWEZNQCLSA-N 1 1 332.423 2.730 10 10 EFCEMO COC(=O)[C@H]1CC12CC[NH+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000295448819 241052146 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Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1O ZINC000368038812 477780569 /nfs/dbraw/zinc/78/05/69/477780569.db2.gz DHLNSQYERXRDNW-LBPRGKRZSA-N 1 1 332.835 2.936 10 10 EFCEMO CCn1ncc(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)n1 ZINC000527922236 478573285 /nfs/dbraw/zinc/57/32/85/478573285.db2.gz DCOVAZPRSXASKA-SNVBAGLBSA-N 1 1 339.237 2.925 10 10 EFCEMO CC1(C)CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)c2cc(F)ccc21 ZINC000662582887 481886326 /nfs/dbraw/zinc/88/63/26/481886326.db2.gz RVXPUUIINNMENR-NSHDSACASA-N 1 1 328.391 2.564 10 10 EFCEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000177541210 529095303 /nfs/dbraw/zinc/09/53/03/529095303.db2.gz XIXALJAQLOMYLC-IBGZPJMESA-N 1 1 342.487 2.689 10 10 EFCEMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)c(F)cc1O)CC2 ZINC000295484095 535520941 /nfs/dbraw/zinc/52/09/41/535520941.db2.gz XFVQEDWOYFSYNW-JKSUJKDBSA-N 1 1 343.826 2.937 10 10 EFCEMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cnn(CC)c3)C2)c1 ZINC000191709699 535752122 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LUJZNDZDXUJCJU-CQSZACIVSA-N 1 1 338.320 2.973 10 10 EFCEMO CN(C)c1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)c(C(F)(F)F)c1 ZINC000824726408 1278263507 /nfs/dbraw/zinc/26/35/07/1278263507.db2.gz LUJZNDZDXUJCJU-CQSZACIVSA-N 1 1 338.320 2.973 10 10 EFCEMO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000824726609 1278263699 /nfs/dbraw/zinc/26/36/99/1278263699.db2.gz POSDYOBLEGWQHU-CYBMUJFWSA-N 1 1 336.176 2.665 10 10 EFCEMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@](O)(C(F)F)C2)c1 ZINC000824726609 1278263727 /nfs/dbraw/zinc/26/37/27/1278263727.db2.gz POSDYOBLEGWQHU-CYBMUJFWSA-N 1 1 336.176 2.665 10 10 EFCEMO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000824800169 1278290714 /nfs/dbraw/zinc/29/07/14/1278290714.db2.gz ULMDVNWYGQBVET-CTNGQTDRSA-N 1 1 345.531 2.979 10 10 EFCEMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c1 ZINC000825030013 1278390306 /nfs/dbraw/zinc/39/03/06/1278390306.db2.gz BSPDLCVZYAPGIQ-PBHICJAKSA-N 1 1 333.428 2.908 10 10 EFCEMO CC[N@@H+](CCC(=O)OC)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000738098494 1268330307 /nfs/dbraw/zinc/33/03/07/1268330307.db2.gz WXGASLJJMHOHJX-UHFFFAOYSA-N 1 1 345.395 2.717 10 10 EFCEMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825279159 1278490776 /nfs/dbraw/zinc/49/07/76/1278490776.db2.gz PEWRSAJMQXZPBD-AWEZNQCLSA-N 1 1 325.840 2.590 10 10 EFCEMO COc1ccc(O)c(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)c1 ZINC000825294353 1278494816 /nfs/dbraw/zinc/49/48/16/1278494816.db2.gz OPONNXIAFBUVCX-UHFFFAOYSA-N 1 1 332.366 2.859 10 10 EFCEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000843831445 1270111483 /nfs/dbraw/zinc/11/14/83/1270111483.db2.gz PXYFAELABFNNCO-QWHCGFSZSA-N 1 1 331.416 2.988 10 10 EFCEMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000843851840 1278608825 /nfs/dbraw/zinc/60/88/25/1278608825.db2.gz QYILRJRSJUKDSI-OLZOCXBDSA-N 1 1 331.416 2.555 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844279550 1278853696 /nfs/dbraw/zinc/85/36/96/1278853696.db2.gz TXYIOSMDYSZXMR-GOSISDBHSA-N 1 1 331.460 2.946 10 10 EFCEMO COCC[N@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCOC1 ZINC000787335472 1275748495 /nfs/dbraw/zinc/74/84/95/1275748495.db2.gz RVCKSZQWBDJRHT-ZDUSSCGKSA-N 1 1 344.249 2.700 10 10 EFCEMO COCC[N@@H+](Cc1cc(C)cc(Br)c1O)[C@H]1CCOC1 ZINC000787335472 1275748503 /nfs/dbraw/zinc/74/85/03/1275748503.db2.gz RVCKSZQWBDJRHT-ZDUSSCGKSA-N 1 1 344.249 2.700 10 10 EFCEMO NC(=O)C[N@@H+]1CCc2ccc(NCc3cc(Cl)ccc3O)cc2C1 ZINC000788528361 1276222337 /nfs/dbraw/zinc/22/23/37/1276222337.db2.gz BDBRKERKZIYWFT-UHFFFAOYSA-N 1 1 345.830 2.501 10 10 EFCEMO NC(=O)C[N@H+]1CCc2ccc(NCc3cc(Cl)ccc3O)cc2C1 ZINC000788528361 1276222342 /nfs/dbraw/zinc/22/23/42/1276222342.db2.gz BDBRKERKZIYWFT-UHFFFAOYSA-N 1 1 345.830 2.501 10 10 EFCEMO C[C@@H](Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2)c1ccc(F)cc1O ZINC000788606634 1276238200 /nfs/dbraw/zinc/23/82/00/1276238200.db2.gz BFGHXOZQSFIEIU-GFCCVEGCSA-N 1 1 343.402 2.548 10 10 EFCEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2)c1ccc(F)cc1O ZINC000788606634 1276238208 /nfs/dbraw/zinc/23/82/08/1276238208.db2.gz BFGHXOZQSFIEIU-GFCCVEGCSA-N 1 1 343.402 2.548 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)cc2)CC1 ZINC000922898440 1276277434 /nfs/dbraw/zinc/27/74/34/1276277434.db2.gz VRLPXPAIVCIMSN-TZIWHRDSSA-N 1 1 343.515 2.733 10 10 EFCEMO CN1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)cc2)CC1 ZINC000922898433 1276277541 /nfs/dbraw/zinc/27/75/41/1276277541.db2.gz VRLPXPAIVCIMSN-FPOVZHCZSA-N 1 1 343.515 2.733 10 10 EFCEMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000922955972 1276401632 /nfs/dbraw/zinc/40/16/32/1276401632.db2.gz WPKZXBQXZDQYQV-LBPRGKRZSA-N 1 1 328.815 2.528 10 10 EFCEMO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc3c(cc2O)CCC3)cn1 ZINC000790470231 1277579524 /nfs/dbraw/zinc/57/95/24/1277579524.db2.gz AGOKLPCPRIXDFK-QGZVFWFLSA-N 1 1 329.469 2.905 10 10 EFCEMO COc1cc(C)cc(C[N@@H+]2CCO[C@H](COc3ccccc3)C2)c1O ZINC000790467293 1277609162 /nfs/dbraw/zinc/60/91/62/1277609162.db2.gz NYLIYPBBTZCIII-SFHVURJKSA-N 1 1 343.423 2.989 10 10 EFCEMO COc1cc(C)cc(C[N@H+]2CCO[C@H](COc3ccccc3)C2)c1O ZINC000790467293 1277609169 /nfs/dbraw/zinc/60/91/69/1277609169.db2.gz NYLIYPBBTZCIII-SFHVURJKSA-N 1 1 343.423 2.989 10 10 EFCEMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792790941 1279153598 /nfs/dbraw/zinc/15/35/98/1279153598.db2.gz VMBMIWVVBRUFOD-AAEUAGOBSA-N 1 1 343.393 2.857 10 10 EFCEMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CCc2ccccc21 ZINC000844742228 1279211346 /nfs/dbraw/zinc/21/13/46/1279211346.db2.gz NTKMLANUTDKECB-DJJJIMSYSA-N 1 1 325.408 2.980 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1 ZINC000793346763 1279536497 /nfs/dbraw/zinc/53/64/97/1279536497.db2.gz LPGVXHXRWUCDRG-FXAWDEMLSA-N 1 1 346.471 2.544 10 10 EFCEMO CCOc1cccc(CN2CCN(c3cc[nH+]cc3OC)CC2)c1O ZINC000793369453 1279584723 /nfs/dbraw/zinc/58/47/23/1279584723.db2.gz HNFHEFQFBWSZLK-UHFFFAOYSA-N 1 1 343.427 2.517 10 10 EFCEMO COc1c(O)c(C[NH2+][C@H](C)[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000846045292 1279998939 /nfs/dbraw/zinc/99/89/39/1279998939.db2.gz STVAIDKFMQGRPT-KZULUSFZSA-N 1 1 346.383 2.695 10 10 EFCEMO COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000846047220 1280000917 /nfs/dbraw/zinc/00/09/17/1280000917.db2.gz LNDQTVKRMYLRPD-ZWKOTPCHSA-N 1 1 343.423 2.553 10 10 EFCEMO COc1ccc(N(C)CCN(C)C(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000846658630 1280373726 /nfs/dbraw/zinc/37/37/26/1280373726.db2.gz KKSDSRCKWRFLGJ-QGZVFWFLSA-N 1 1 347.503 2.854 10 10 EFCEMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(F)(F)C[NH3+] ZINC000846662375 1280404079 /nfs/dbraw/zinc/40/40/79/1280404079.db2.gz OZAUOWJXWTUGQG-UHFFFAOYSA-N 1 1 325.403 2.619 10 10 EFCEMO CC[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccc(F)cc1O ZINC000872120100 1287435208 /nfs/dbraw/zinc/43/52/08/1287435208.db2.gz YWUHQZMISLEOTM-UJMBOELQSA-N 1 1 341.448 2.928 10 10 EFCEMO c1ccc(CN2CCc3cc(CN4C[C@H]5C[NH2+]C[C@H]5C4)ccc32)cc1 ZINC000809595237 1282332407 /nfs/dbraw/zinc/33/24/07/1282332407.db2.gz HVGZLIYXSWITAS-OYRHEFFESA-N 1 1 333.479 2.901 10 10 EFCEMO O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000809690276 1282374049 /nfs/dbraw/zinc/37/40/49/1282374049.db2.gz MCHWHUUHZWNIHO-GFCCVEGCSA-N 1 1 330.350 2.673 10 10 EFCEMO COc1ccc(N2CCC([NH2+][C@H]3CCc4[nH]cnc4C3)CC2)cc1 ZINC000810252340 1283106398 /nfs/dbraw/zinc/10/63/98/1283106398.db2.gz BXOCJFYZZNVTLC-HNNXBMFYSA-N 1 1 326.444 2.534 10 10 EFCEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)Cc2ccccc2O)c1 ZINC000811457355 1284332401 /nfs/dbraw/zinc/33/24/01/1284332401.db2.gz KWXPHMJPFJMIEY-UHFFFAOYSA-N 1 1 330.340 2.719 10 10 EFCEMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)Cc2ccccc2O)c1 ZINC000811457355 1284332412 /nfs/dbraw/zinc/33/24/12/1284332412.db2.gz KWXPHMJPFJMIEY-UHFFFAOYSA-N 1 1 330.340 2.719 10 10 EFCEMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](O)Cc2ccc(F)cc2)cc1 ZINC001171729604 1285746073 /nfs/dbraw/zinc/74/60/73/1285746073.db2.gz MADYIDZHQGVCOU-LJQANCHMSA-N 1 1 346.446 2.806 10 10 EFCEMO COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(N(C)C)cc3C(F)(F)F)C[C@@H]21 ZINC000814173110 1286354790 /nfs/dbraw/zinc/35/47/90/1286354790.db2.gz GDWMDNUWBLHCGM-NHAGDIPZSA-N 1 1 342.361 2.622 10 10 EFCEMO COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3ccc(N(C)C)cc3C(F)(F)F)C[C@@H]21 ZINC000814173110 1286354794 /nfs/dbraw/zinc/35/47/94/1286354794.db2.gz GDWMDNUWBLHCGM-NHAGDIPZSA-N 1 1 342.361 2.622 10 10 EFCEMO Cc1cc(Br)c(O)c(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000814173037 1286355767 /nfs/dbraw/zinc/35/57/67/1286355767.db2.gz FJXDAVRHAHVHQU-BXUZGUMPSA-N 1 1 325.250 2.599 10 10 EFCEMO Cc1cc(Br)cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1O ZINC000814173939 1286356544 /nfs/dbraw/zinc/35/65/44/1286356544.db2.gz TVLSHHXTNPVXSL-RISCZKNCSA-N 1 1 325.250 2.599 10 10 EFCEMO COc1ccc(N2CC[NH+](CCNC(=O)CCCC(C)C)CC2)cc1 ZINC000822823568 1289124157 /nfs/dbraw/zinc/12/41/57/1289124157.db2.gz KAHPECQLZVLAEN-UHFFFAOYSA-N 1 1 347.503 2.760 10 10 EFCEMO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ncc(Br)cn1 ZINC000816627388 1288216052 /nfs/dbraw/zinc/21/60/52/1288216052.db2.gz MTSHZMVXFWFWPF-MRVPVSSYSA-N 1 1 326.169 2.935 10 10 EFCEMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000816955333 1288340462 /nfs/dbraw/zinc/34/04/62/1288340462.db2.gz ZKXRJGRCFZQXLK-GOEBONIOSA-N 1 1 329.469 2.932 10 10 EFCEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC001135800472 1288390998 /nfs/dbraw/zinc/39/09/98/1288390998.db2.gz HCAFZGSLYPZJFF-LJQANCHMSA-N 1 1 327.472 2.872 10 10 EFCEMO CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC001135800467 1288391595 /nfs/dbraw/zinc/39/15/95/1288391595.db2.gz HCAFZGSLYPZJFF-IBGZPJMESA-N 1 1 327.472 2.872 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@H]2CC23CCSCC3)ccc1[N+](=O)[O-] ZINC000817409467 1288589671 /nfs/dbraw/zinc/58/96/71/1288589671.db2.gz CMJHPPXFVHHCJR-GFCCVEGCSA-N 1 1 338.429 2.932 10 10 EFCEMO COc1cc(Br)cc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1O ZINC000817413843 1288591984 /nfs/dbraw/zinc/59/19/84/1288591984.db2.gz BGXJROCPHLJSEC-CABZTGNLSA-N 1 1 330.222 2.509 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)CO ZINC000817417900 1288593663 /nfs/dbraw/zinc/59/36/63/1288593663.db2.gz SRITZUMTGDGTIP-SFHVURJKSA-N 1 1 345.439 2.535 10 10 EFCEMO CC(C)[N@H+](Cc1ccc(N(C)Cc2cccs2)cc1)C[C@H](O)CO ZINC000817417583 1288594051 /nfs/dbraw/zinc/59/40/51/1288594051.db2.gz PXAWLLWQFGFPJD-SFHVURJKSA-N 1 1 348.512 2.948 10 10 EFCEMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3SC)cc2F)CC1 ZINC000822456098 1288995769 /nfs/dbraw/zinc/99/57/69/1288995769.db2.gz OCUKKRKSLJIPCN-SJLPKXTDSA-N 1 1 337.508 2.951 10 10 EFCEMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1F ZINC000824451160 1289655495 /nfs/dbraw/zinc/65/54/95/1289655495.db2.gz KPOYOZGWWIZCEL-MRXNPFEDSA-N 1 1 349.450 2.946 10 10 EFCEMO Oc1ccccc1C[N@H+](Cc1cnn2c1CCC2)C[C@@H]1CCCO1 ZINC000824509533 1289693248 /nfs/dbraw/zinc/69/32/48/1289693248.db2.gz ZZZBHJGSQJTVDJ-KRWDZBQOSA-N 1 1 327.428 2.716 10 10 EFCEMO COc1cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c(O)c(C(C)(C)C)c1 ZINC000824632281 1289731435 /nfs/dbraw/zinc/73/14/35/1289731435.db2.gz CKTJXTSGIBHXTM-CQSZACIVSA-N 1 1 334.460 2.928 10 10 EFCEMO CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H](O)C(F)F ZINC000824637518 1289734046 /nfs/dbraw/zinc/73/40/46/1289734046.db2.gz XOEGMXRIHFXPBZ-PWSUYJOCSA-N 1 1 338.192 2.957 10 10 EFCEMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1O ZINC000824636520 1289734137 /nfs/dbraw/zinc/73/41/37/1289734137.db2.gz RLDJQXVAWRRYFP-VQIMIIECSA-N 1 1 331.387 2.701 10 10 EFCEMO O=c1[nH]ccc2c1C[N@@H+](Cc1ccc(Br)cc1O)CC2 ZINC000825693148 1290039220 /nfs/dbraw/zinc/03/92/20/1290039220.db2.gz UKGMBZLFTQQWHL-UHFFFAOYSA-N 1 1 335.201 2.814 10 10 EFCEMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000795635917 1290741099 /nfs/dbraw/zinc/74/10/99/1290741099.db2.gz GXMYULPOPQZIKP-LJQANCHMSA-N 1 1 335.444 2.777 10 10 EFCEMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000795635917 1290741104 /nfs/dbraw/zinc/74/11/04/1290741104.db2.gz GXMYULPOPQZIKP-LJQANCHMSA-N 1 1 335.444 2.777 10 10 EFCEMO COc1c(O)c(C[NH2+]C[C@@](C)(O)CCC(C)C)ccc1[N+](=O)[O-] ZINC000775028826 1290972137 /nfs/dbraw/zinc/97/21/37/1290972137.db2.gz UBJTYEAZGQBNHS-INIZCTEOSA-N 1 1 326.393 2.586 10 10 EFCEMO Oc1ccccc1C[N@@H+](C[C@@H](O)CC(F)(F)F)C[C@@H]1CCCO1 ZINC000249271505 1291332823 /nfs/dbraw/zinc/33/28/23/1291332823.db2.gz JFKCHRIWHWFGFU-KBPBESRZSA-N 1 1 333.350 2.687 10 10 EFCEMO C[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CN2CCC1CC2 ZINC000691675290 1291551386 /nfs/dbraw/zinc/55/13/86/1291551386.db2.gz IMASHLOTMVMDDG-CQSZACIVSA-N 1 1 325.250 2.681 10 10 EFCEMO COc1cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000826096854 1291984383 /nfs/dbraw/zinc/98/43/83/1291984383.db2.gz GAJBBHLISFLWBW-GUYCJALGSA-N 1 1 337.460 2.670 10 10 EFCEMO CC(C)[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC[N@H+]1C ZINC001234556194 1313156077 /nfs/dbraw/zinc/15/60/77/1313156077.db2.gz QCMRVUAJVCKEDJ-MAUKXSAKSA-N 1 1 332.492 2.795 10 10 EFCEMO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000924795847 1296784290 /nfs/dbraw/zinc/78/42/90/1296784290.db2.gz QOOGRJOTQPPKFU-LSDHHAIUSA-N 1 1 343.475 2.855 10 10 EFCEMO COc1ccc(N2CC[C@@H](N[C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)C2)cc1 ZINC000925713131 1296869191 /nfs/dbraw/zinc/86/91/91/1296869191.db2.gz JOAMJXXKAOJLTK-DQEVTTJGSA-N 1 1 329.488 2.640 10 10 EFCEMO COc1ccc(N2CC[C@H](CN[C@@H]3CC[NH2+]C34CCCC4)C2)cc1 ZINC000925712015 1296870988 /nfs/dbraw/zinc/87/09/88/1296870988.db2.gz YWDPIMIUWPBZOM-VQIMIIECSA-N 1 1 329.488 2.786 10 10 EFCEMO [NH3+]Cc1nc2c(s1)CCN(Cc1cc(Cl)cc(F)c1O)C2 ZINC000903942504 1313457876 /nfs/dbraw/zinc/45/78/76/1313457876.db2.gz PYETXDJLCQURQD-UHFFFAOYSA-N 1 1 327.812 2.658 10 10 EFCEMO [NH3+][C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@H]1C(F)(F)F ZINC000903983549 1313535463 /nfs/dbraw/zinc/53/54/63/1313535463.db2.gz INKOQNRGTHWCJG-SCZZXKLOSA-N 1 1 326.721 2.896 10 10 EFCEMO COC1CCN(c2ccc(C[N@H+]3C[C@H]4COC[C@@]4(C)C3)cc2)CC1 ZINC000852534517 1299744081 /nfs/dbraw/zinc/74/40/81/1299744081.db2.gz CGYKXLJNFGKAIN-FXAWDEMLSA-N 1 1 330.472 2.770 10 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1300177853 /nfs/dbraw/zinc/17/78/53/1300177853.db2.gz UOFIPRPKUACKFF-OAHLLOKOSA-N 1 1 327.428 2.733 10 10 EFCEMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000853603960 1300189604 /nfs/dbraw/zinc/18/96/04/1300189604.db2.gz WWVFIUIQVBVZIC-HNNXBMFYSA-N 1 1 327.428 2.677 10 10 EFCEMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1c1ccncc1)[C@@H](O)CO2 ZINC000853632603 1300203241 /nfs/dbraw/zinc/20/32/41/1300203241.db2.gz HVXSBUOUGLYFSZ-PKOBYXMFSA-N 1 1 338.407 2.940 10 10 EFCEMO COc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000853632309 1300204231 /nfs/dbraw/zinc/20/42/31/1300204231.db2.gz UMLZVKKPRRLPHO-QFYYESIMSA-N 1 1 331.359 2.654 10 10 EFCEMO COc1cc(O)c(C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1OC ZINC000853632309 1300204240 /nfs/dbraw/zinc/20/42/40/1300204240.db2.gz UMLZVKKPRRLPHO-QFYYESIMSA-N 1 1 331.359 2.654 10 10 EFCEMO C[C@@H]1CC[N@@H+](CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000854513501 1300601794 /nfs/dbraw/zinc/60/17/94/1300601794.db2.gz LRILINZELOPAFI-CQSZACIVSA-N 1 1 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10 EFCEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H](CC)CC[C@H]1C)cc2=O ZINC001560003760 1415261519 /nfs/dbraw/zinc/26/15/19/1415261519.db2.gz DDWXXYXPGLSJEW-CHWSQXEVSA-N 1 1 346.431 2.622 10 10 EFCEMO CCN(C)c1ccc(C[N@H+]2CCN(c3cnccn3)[C@@H](C)C2)cc1 ZINC001560239719 1415269306 /nfs/dbraw/zinc/26/93/06/1415269306.db2.gz KPFMKYXSMOQBEO-INIZCTEOSA-N 1 1 325.460 2.643 10 10 EFCEMO Cc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272915 1416641202 /nfs/dbraw/zinc/64/12/02/1416641202.db2.gz MRAQXTLTVLTJAJ-OALUTQOASA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@H+]2C[C@H](C)N(CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272915 1416641205 /nfs/dbraw/zinc/64/12/05/1416641205.db2.gz MRAQXTLTVLTJAJ-OALUTQOASA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)ccc1N1CCCCC1 ZINC001646272915 1416641206 /nfs/dbraw/zinc/64/12/06/1416641206.db2.gz MRAQXTLTVLTJAJ-OALUTQOASA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272917 1416641290 /nfs/dbraw/zinc/64/12/90/1416641290.db2.gz MRAQXTLTVLTJAJ-RBUKOAKNSA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@H+]2C[C@H](C)N(CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272917 1416641291 /nfs/dbraw/zinc/64/12/91/1416641291.db2.gz MRAQXTLTVLTJAJ-RBUKOAKNSA-N 1 1 345.531 2.872 10 10 EFCEMO Cc1cc(C[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)ccc1N1CCCCC1 ZINC001646272917 1416641295 /nfs/dbraw/zinc/64/12/95/1416641295.db2.gz MRAQXTLTVLTJAJ-RBUKOAKNSA-N 1 1 345.531 2.872 10 10 EFCEMO C[N@H+]1CCCC[C@H]1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC001685617980 1416769153 /nfs/dbraw/zinc/76/91/53/1416769153.db2.gz ZICUDLQNKYPYGN-HNNXBMFYSA-N 1 1 331.460 2.555 10 10 EFCEMO Cc1cc(Br)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000124595461 1417121107 /nfs/dbraw/zinc/12/11/07/1417121107.db2.gz GSANZZNJEKAKOW-CQSZACIVSA-N 1 1 325.250 2.743 10 10 EFCEMO C[C@]1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCC[N@@H+](CCF)C1 ZINC001699879862 1417495908 /nfs/dbraw/zinc/49/59/08/1417495908.db2.gz ZOQCXZVHPZVAKC-QGZVFWFLSA-N 1 1 349.410 2.650 10 10 EFCEMO CC(C)N(CC[N@H+](C)CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717952047 1419626171 /nfs/dbraw/zinc/62/61/71/1419626171.db2.gz BHOUNQZEKHHZAO-UHFFFAOYSA-N 1 1 337.399 2.601 10 10 EFCEMO CC(C)N(CC[N@@H+](C)CCF)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001717952047 1419626174 /nfs/dbraw/zinc/62/61/74/1419626174.db2.gz BHOUNQZEKHHZAO-UHFFFAOYSA-N 1 1 337.399 2.601 10 10 EFCEMO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cc4c(cc3O)CCCC4)CCO2)c1 ZINC000160183898 712914731 /nfs/dbraw/zinc/91/47/31/712914731.db2.gz RQISBEYYWSEGQT-IBGZPJMESA-N 1 1 341.455 2.677 10 10 EFCEMO Cc1cc(C(=O)OCC[NH+]2CCSCC2)c(C)n1-c1ccccn1 ZINC000177182793 717937099 /nfs/dbraw/zinc/93/70/99/717937099.db2.gz ZXDJXNLQHIAUII-UHFFFAOYSA-N 1 1 345.468 2.695 10 10 EFCEMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(C)cc2O)CCN1CC(F)F ZINC000160523969 714258748 /nfs/dbraw/zinc/25/87/48/714258748.db2.gz GPZHHQKLTCTTEO-CQSZACIVSA-N 1 1 328.403 2.871 10 10 EFCEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000176286639 715200428 /nfs/dbraw/zinc/20/04/28/715200428.db2.gz PLPRGROMMWDLPY-SFHVURJKSA-N 1 1 344.503 2.695 10 10 EFCEMO COC(=O)c1c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274300 723967525 /nfs/dbraw/zinc/96/75/25/723967525.db2.gz HXJBYHMRDOCLKF-BLVKFPJESA-N 1 1 346.402 2.572 10 10 EFCEMO Cc1ccnc(N)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000893879023 720138660 /nfs/dbraw/zinc/13/86/60/720138660.db2.gz BYIWJPAKYNOYPT-INIZCTEOSA-N 1 1 327.428 2.859 10 10 EFCEMO C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC[N@H+]1C ZINC000917524129 728750753 /nfs/dbraw/zinc/75/07/53/728750753.db2.gz WNTAAWAOZLXNGG-APWZRJJASA-N 1 1 344.503 2.815 10 10 EFCEMO CN(C)c1ccc(CNC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000123201470 720824550 /nfs/dbraw/zinc/82/45/50/720824550.db2.gz COWIGSFEVOEVBN-UHFFFAOYSA-N 1 1 332.492 2.816 10 10 EFCEMO COc1cc(C)cc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)c1O ZINC000894167839 721061760 /nfs/dbraw/zinc/06/17/60/721061760.db2.gz TYQYCCPQWRGEJC-ZDUSSCGKSA-N 1 1 330.432 2.878 10 10 EFCEMO [O-]c1c(F)cc(F)cc1C[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000894881453 722937393 /nfs/dbraw/zinc/93/73/93/722937393.db2.gz PHPDZLXOOVMZQF-QAPCUYQASA-N 1 1 337.341 2.970 10 10 EFCEMO COC(=O)c1c(C[N@@H+](C)CC(C)(C)CO)c2cc(F)ccc2n1C ZINC000894882031 722937893 /nfs/dbraw/zinc/93/78/93/722937893.db2.gz UGLOHNRBROQEIZ-UHFFFAOYSA-N 1 1 336.407 2.554 10 10 EFCEMO COC(=O)c1c(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c2cc(F)ccc2n1C ZINC000894902355 723019646 /nfs/dbraw/zinc/01/96/46/723019646.db2.gz JGYCQVBRPCQUGY-SJKOYZFVSA-N 1 1 348.418 2.961 10 10 EFCEMO COC(=O)c1c(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c2cc(F)ccc2n1C ZINC000894902352 723019664 /nfs/dbraw/zinc/01/96/64/723019664.db2.gz JGYCQVBRPCQUGY-SJCJKPOMSA-N 1 1 348.418 2.961 10 10 EFCEMO COC(=O)c1c(C[NH+]2CC3(C2)CCOCC3)c2cc(F)ccc2n1C ZINC000894977800 723041930 /nfs/dbraw/zinc/04/19/30/723041930.db2.gz WZNZMXMAUSCMHL-UHFFFAOYSA-N 1 1 346.402 2.716 10 10 EFCEMO COC(=O)c1c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c2cc(F)ccc2n1C ZINC000895149204 723464105 /nfs/dbraw/zinc/46/41/05/723464105.db2.gz DLYKNWHAQZVZKN-BETUJISGSA-N 1 1 338.329 2.801 10 10 EFCEMO COC(=O)c1c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c2cc(F)ccc2n1C ZINC000895149204 723464108 /nfs/dbraw/zinc/46/41/08/723464108.db2.gz DLYKNWHAQZVZKN-BETUJISGSA-N 1 1 338.329 2.801 10 10 EFCEMO COC(=O)c1c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c2cc(F)ccc2n1C ZINC000895274307 723968323 /nfs/dbraw/zinc/96/83/23/723968323.db2.gz HXJBYHMRDOCLKF-HXPMCKFVSA-N 1 1 346.402 2.572 10 10 EFCEMO COC(=O)c1c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c2cc(F)ccc2n1C ZINC000895343507 724052397 /nfs/dbraw/zinc/05/23/97/724052397.db2.gz LHWWXNLXPAKBCC-BUXKBTBVSA-N 1 1 348.418 2.554 10 10 EFCEMO O=C1N(CC[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@H]2CCCCN12 ZINC000895347111 724054758 /nfs/dbraw/zinc/05/47/58/724054758.db2.gz ZGPZYGDWMGVSRR-LLVKDONJSA-N 1 1 341.814 2.564 10 10 EFCEMO C[N@@H+]1CC[C@H]2CN(Cc3cc(Br)cc(F)c3O)CC[C@@H]21 ZINC000895461865 724144740 /nfs/dbraw/zinc/14/47/40/724144740.db2.gz PUXMHULVNVEPLK-HZMBPMFUSA-N 1 1 343.240 2.820 10 10 EFCEMO C[N@H+]1CC[C@H]2CN(Cc3cc(Br)cc(F)c3O)CC[C@@H]21 ZINC000895461865 724144741 /nfs/dbraw/zinc/14/47/41/724144741.db2.gz PUXMHULVNVEPLK-HZMBPMFUSA-N 1 1 343.240 2.820 10 10 EFCEMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895740090 724289267 /nfs/dbraw/zinc/28/92/67/724289267.db2.gz NRVCGQJRAWFXOD-NSHDSACASA-N 1 1 334.441 2.774 10 10 EFCEMO O=C([C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1)N1CCCC1 ZINC000732188380 727001894 /nfs/dbraw/zinc/00/18/94/727001894.db2.gz DJOXSLWGVVLGTD-INIZCTEOSA-N 1 1 339.439 2.775 10 10 EFCEMO O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1[O-] ZINC000841085723 727211443 /nfs/dbraw/zinc/21/14/43/727211443.db2.gz BNIVYZANOSPJSL-SMDDNHRTSA-N 1 1 339.823 2.918 10 10 EFCEMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000732798860 727234545 /nfs/dbraw/zinc/23/45/45/727234545.db2.gz PFXBMEKBDNYRGM-GOSISDBHSA-N 1 1 328.456 2.858 10 10 EFCEMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCCCC[C@H]1CC)cc2=O ZINC000150737137 727717270 /nfs/dbraw/zinc/71/72/70/727717270.db2.gz BDWQFJDBSYYWHP-CQSZACIVSA-N 1 1 346.431 2.766 10 10 EFCEMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc4cc(O)c(O)cc4s3)C[C@@]2(C)C1 ZINC000913274640 727812292 /nfs/dbraw/zinc/81/22/92/727812292.db2.gz OHJWFBGEUKNSHN-HDICACEKSA-N 1 1 346.452 2.726 10 10 EFCEMO CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000172251479 728576302 /nfs/dbraw/zinc/57/63/02/728576302.db2.gz XSZCGXYLKQUFMV-LPHOPBHVSA-N 1 1 344.503 2.911 10 10 EFCEMO COc1ccc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000179531162 729585971 /nfs/dbraw/zinc/58/59/71/729585971.db2.gz BPUSQEHWIRHEOP-UHFFFAOYSA-N 1 1 328.460 2.969 10 10 EFCEMO