smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1ccc(C(=O)Nc2cccc3c2C[N@@H+](CCC(C)C)C3)o1 ZINC000102757980 1031260850 /nfs/dbraw/zinc/26/08/50/1031260850.db2.gz LGSGKJBYPFXMGO-UHFFFAOYSA-N 1 1 342.439 4.040 10 0 EIAEMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000092788454 1039589561 /nfs/dbraw/zinc/58/95/61/1039589561.db2.gz OKQJQQBKXBSIDC-MRXNPFEDSA-N 1 1 338.480 4.221 10 0 EIAEMO Clc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cc[nH]c4)C3)n2)cc1 ZINC000092966555 1039609395 /nfs/dbraw/zinc/60/93/95/1039609395.db2.gz NGJHHQJQUOHWCP-OAHLLOKOSA-N 1 1 342.830 4.098 10 0 EIAEMO CCC[N@@H+](CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471420 201895876 /nfs/dbraw/zinc/89/58/76/201895876.db2.gz QFFWSYBNWWOHJV-UHFFFAOYSA-N 1 1 345.508 4.187 10 0 EIAEMO Cc1cc(Br)cc(C)c1N[C@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037772418 202035197 /nfs/dbraw/zinc/03/51/97/202035197.db2.gz FRYYEKJXBKURQJ-KGLIPLIRSA-N 1 1 325.294 4.208 10 0 EIAEMO Fc1ccc(Br)c(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000038039018 202092615 /nfs/dbraw/zinc/09/26/15/202092615.db2.gz OKMRVAJGBQAIFE-HNNXBMFYSA-N 1 1 336.204 4.202 10 0 EIAEMO C[NH2+][C@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035457942 202304362 /nfs/dbraw/zinc/30/43/62/202304362.db2.gz KBNPYXBCEJWNPF-LBPRGKRZSA-N 1 1 330.609 4.013 10 0 EIAEMO C[NH2+][C@@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035457938 202304777 /nfs/dbraw/zinc/30/47/77/202304777.db2.gz KBNPYXBCEJWNPF-GFCCVEGCSA-N 1 1 330.609 4.013 10 0 EIAEMO CCOc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccn2)cc1 ZINC000037523521 202345445 /nfs/dbraw/zinc/34/54/45/202345445.db2.gz RXPLJJKKWJUJKD-JOCHJYFZSA-N 1 1 347.462 4.277 10 0 EIAEMO CCOc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000037523521 202345449 /nfs/dbraw/zinc/34/54/49/202345449.db2.gz RXPLJJKKWJUJKD-JOCHJYFZSA-N 1 1 347.462 4.277 10 0 EIAEMO COc1ccc(-c2cncc(C[N@H+]3CCCC[C@H]3C)c2)cc1OC ZINC000037553874 202346492 /nfs/dbraw/zinc/34/64/92/202346492.db2.gz DSXFSPZVGLNIFQ-OAHLLOKOSA-N 1 1 326.440 4.140 10 0 EIAEMO CCOc1ccc(Cl)cc1[C@H](C[NH+]1CCN(C)CC1)[C@H](C)CC ZINC000022042331 201372696 /nfs/dbraw/zinc/37/26/96/201372696.db2.gz PTFMLNBMLFZOGC-CRAIPNDOSA-N 1 1 338.923 4.116 10 0 EIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1cccc(Br)c1 ZINC000103973464 204091525 /nfs/dbraw/zinc/09/15/25/204091525.db2.gz KVVYBHARXFPSLB-CJNGLKHVSA-N 1 1 326.278 4.338 10 0 EIAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856126 258001207 /nfs/dbraw/zinc/00/12/07/258001207.db2.gz UWLUEWFMYQFHBU-KONPQCLYSA-N 1 1 332.488 4.056 10 0 EIAEMO Cc1[nH+]ccn1Cc1ccccc1C(=O)Nc1ccc(Cl)cc1 ZINC000048546977 564031863 /nfs/dbraw/zinc/03/18/63/564031863.db2.gz UTSDSMGXZRWRRY-UHFFFAOYSA-N 1 1 325.799 4.146 10 0 EIAEMO Cc1nc2ccc(Cl)cn2c1C[N@@H+](Cc1ccccn1)CC(C)C ZINC000063855390 564082215 /nfs/dbraw/zinc/08/22/15/564082215.db2.gz SGOHXLCXKAQPII-UHFFFAOYSA-N 1 1 342.874 4.349 10 0 EIAEMO CCC[N@@H+](CC)Cc1cc(C)c(I)cc1C ZINC000675075275 564113085 /nfs/dbraw/zinc/11/30/85/564113085.db2.gz KLSHLBOQDLIWDY-UHFFFAOYSA-N 1 1 331.241 4.140 10 0 EIAEMO COc1ccc([C@@H]2C[C@@H](C)[N@H+]([C@@H](C)c3nc(C(C)C)no3)C2)cc1 ZINC000076391763 1045893899 /nfs/dbraw/zinc/89/38/99/1045893899.db2.gz QAWNFGHWIQMSAW-IJEWVQPXSA-N 1 1 329.444 4.141 10 0 EIAEMO CC[N@@H+](CC[C@@H](NC)c1ccc(Br)cc1)CC(C)C ZINC000053938906 214205724 /nfs/dbraw/zinc/20/57/24/214205724.db2.gz VYUQUQIOTFYBCT-MRXNPFEDSA-N 1 1 327.310 4.078 10 0 EIAEMO Oc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1Br ZINC000058402308 214574953 /nfs/dbraw/zinc/57/49/53/214574953.db2.gz QOWMXRGBBXMODF-UHFFFAOYSA-N 1 1 349.253 4.054 10 0 EIAEMO Brc1csc(C[NH2+]Cc2nc3ccccc3s2)c1 ZINC000020307093 202038262 /nfs/dbraw/zinc/03/82/62/202038262.db2.gz CUUQXIFHLBLNAY-UHFFFAOYSA-N 1 1 339.283 4.410 10 0 EIAEMO C[C@H](CN[C@H](C)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000038041799 202090948 /nfs/dbraw/zinc/09/09/48/202090948.db2.gz SMOPZWIHSDSSBB-HUUCEWRRSA-N 1 1 339.321 4.222 10 0 EIAEMO O=C(OCC[N@H+]1CCCC[C@@H]1CCc1ccccc1)c1ccccc1 ZINC000033875306 202270371 /nfs/dbraw/zinc/27/03/71/202270371.db2.gz RWROXLLAKDRYIK-OAQYLSRUSA-N 1 1 337.463 4.331 10 0 EIAEMO CCOc1ccc(Cl)cc1[C@H](C[NH+]1CCN(C)CC1)[C@@H](C)CC ZINC000022042335 201373162 /nfs/dbraw/zinc/37/31/62/201373162.db2.gz PTFMLNBMLFZOGC-MAUKXSAKSA-N 1 1 338.923 4.116 10 0 EIAEMO CCOc1ccc(Cl)cc1[C@@H](C[NH+]1CCN(C)CC1)[C@@H](C)CC ZINC000022042342 201372895 /nfs/dbraw/zinc/37/28/95/201372895.db2.gz PTFMLNBMLFZOGC-YJBOKZPZSA-N 1 1 338.923 4.116 10 0 EIAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@H+](C)CCC(C)C ZINC000043021231 204200167 /nfs/dbraw/zinc/20/01/67/204200167.db2.gz DPQSPRLPPDSMKA-JKSUJKDBSA-N 1 1 327.310 4.205 10 0 EIAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCC(C)C ZINC000043021231 204200172 /nfs/dbraw/zinc/20/01/72/204200172.db2.gz DPQSPRLPPDSMKA-JKSUJKDBSA-N 1 1 327.310 4.205 10 0 EIAEMO Cc1cc(C[N@@H+]2CCCC[C@H]2C)c(C)cc1I ZINC000675075523 564113147 /nfs/dbraw/zinc/11/31/47/564113147.db2.gz QWNBHMWOEYKUNS-CYBMUJFWSA-N 1 1 343.252 4.282 10 0 EIAEMO c1csc([C@H]2CCC[N@@H+](Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000108362551 1031289189 /nfs/dbraw/zinc/28/91/89/1031289189.db2.gz UGPCRHSOQHSFSY-LBPRGKRZSA-N 1 1 331.466 4.239 10 0 EIAEMO c1csc([C@H]2CCC[N@H+](Cc3csc(-c4ccoc4)n3)C2)n1 ZINC000108362551 1031289216 /nfs/dbraw/zinc/28/92/16/1031289216.db2.gz UGPCRHSOQHSFSY-LBPRGKRZSA-N 1 1 331.466 4.239 10 0 EIAEMO COc1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)ccc1SC ZINC000109326787 1031300363 /nfs/dbraw/zinc/30/03/63/1031300363.db2.gz OLSVRTZADOYCIB-AWEZNQCLSA-N 1 1 334.510 4.253 10 0 EIAEMO Cc1cn2c(C[N@@H+]3CCC[C@H]3c3cccc(C)n3)c(C)nc2s1 ZINC000093453545 1039698285 /nfs/dbraw/zinc/69/82/85/1039698285.db2.gz NIPOSNZIYQLQSP-INIZCTEOSA-N 1 1 326.469 4.053 10 0 EIAEMO Cc1cn2c(C[N@H+]3CCC[C@H]3c3cccc(C)n3)c(C)nc2s1 ZINC000093453545 1039698309 /nfs/dbraw/zinc/69/83/09/1039698309.db2.gz NIPOSNZIYQLQSP-INIZCTEOSA-N 1 1 326.469 4.053 10 0 EIAEMO CCOC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000075743705 1045845516 /nfs/dbraw/zinc/84/55/16/1045845516.db2.gz RINUENZWSRLRKG-CQSZACIVSA-N 1 1 334.847 4.244 10 0 EIAEMO CCCC[N@@H+](C)CC[C@H](NCC)c1cccc(Br)c1 ZINC000053938218 214205652 /nfs/dbraw/zinc/20/56/52/214205652.db2.gz GRRVIFFAQZDTOF-INIZCTEOSA-N 1 1 327.310 4.222 10 0 EIAEMO CCC(CC)[N@@H+](C)CC[C@@H](NC)c1ccc(Br)cc1 ZINC000053939923 214206067 /nfs/dbraw/zinc/20/60/67/214206067.db2.gz BUISESUCDMGEJS-MRXNPFEDSA-N 1 1 327.310 4.220 10 0 EIAEMO CCCN[C@H](CC[N@H+](C)CCC)c1cccc(Br)c1 ZINC000053939277 214206659 /nfs/dbraw/zinc/20/66/59/214206659.db2.gz ARFQAKXCVXIXPL-MRXNPFEDSA-N 1 1 327.310 4.222 10 0 EIAEMO CCCN[C@H](CC[N@@H+](C)CCC)c1cccc(Br)c1 ZINC000053939277 214206660 /nfs/dbraw/zinc/20/66/60/214206660.db2.gz ARFQAKXCVXIXPL-MRXNPFEDSA-N 1 1 327.310 4.222 10 0 EIAEMO Cc1cc(Br)cc(C)c1N[C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000037772395 202034729 /nfs/dbraw/zinc/03/47/29/202034729.db2.gz VUUSOYVAGBBZEF-YDHLFZDLSA-N 1 1 325.294 4.207 10 0 EIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000035805214 202311017 /nfs/dbraw/zinc/31/10/17/202311017.db2.gz OBRGVHVIODPPAG-INIZCTEOSA-N 1 1 332.875 4.482 10 0 EIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000035805214 202311021 /nfs/dbraw/zinc/31/10/21/202311021.db2.gz OBRGVHVIODPPAG-INIZCTEOSA-N 1 1 332.875 4.482 10 0 EIAEMO C[C@@H]1[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592883 202966631 /nfs/dbraw/zinc/96/66/31/202966631.db2.gz FWBIWXGKOUKNHP-DFGXFYAUSA-N 1 1 332.488 4.199 10 0 EIAEMO O=C1OC2(CCCCC2)C[N@H+](Cc2ccccc2)[C@H]1Cc1ccccc1 ZINC000103283910 204071287 /nfs/dbraw/zinc/07/12/87/204071287.db2.gz LAILGRMGOOTHNT-NRFANRHFSA-N 1 1 349.474 4.360 10 0 EIAEMO O=C1OC2(CCCCC2)C[N@@H+](Cc2ccccc2)[C@H]1Cc1ccccc1 ZINC000103283910 204071291 /nfs/dbraw/zinc/07/12/91/204071291.db2.gz LAILGRMGOOTHNT-NRFANRHFSA-N 1 1 349.474 4.360 10 0 EIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042606866 204112216 /nfs/dbraw/zinc/11/22/16/204112216.db2.gz XIIPWXKGEJMIMR-SRVKXCTJSA-N 1 1 331.323 4.021 10 0 EIAEMO C[C@H]1CCCC[C@@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042606866 204112221 /nfs/dbraw/zinc/11/22/21/204112221.db2.gz XIIPWXKGEJMIMR-SRVKXCTJSA-N 1 1 331.323 4.021 10 0 EIAEMO C[NH2+][C@@H](c1sccc1Br)c1c(F)cc(F)cc1F ZINC000104302279 204104817 /nfs/dbraw/zinc/10/48/17/204104817.db2.gz SQROLRCYTWAKAX-LLVKDONJSA-N 1 1 336.176 4.237 10 0 EIAEMO CCCC[N@H+]([C@@H](c1ccc(Br)cc1)[C@@H](C)N)C1CC1 ZINC000042954604 204182874 /nfs/dbraw/zinc/18/28/74/204182874.db2.gz VHSXOGVUHCHHGD-MLGOLLRUSA-N 1 1 325.294 4.102 10 0 EIAEMO CCCC[N@@H+]([C@@H](c1ccc(Br)cc1)[C@@H](C)N)C1CC1 ZINC000042954604 204182880 /nfs/dbraw/zinc/18/28/80/204182880.db2.gz VHSXOGVUHCHHGD-MLGOLLRUSA-N 1 1 325.294 4.102 10 0 EIAEMO CC[C@@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H](C)C(C)C ZINC000042953351 204186532 /nfs/dbraw/zinc/18/65/32/204186532.db2.gz FBKDUXAJKSSLKE-APHBMKBZSA-N 1 1 327.310 4.204 10 0 EIAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C(C)C ZINC000043020644 204199173 /nfs/dbraw/zinc/19/91/73/204199173.db2.gz OCELTFWQVWIQLL-MAZHCROVSA-N 1 1 327.310 4.204 10 0 EIAEMO CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)[C@@H](C)C(C)C ZINC000043020644 204199181 /nfs/dbraw/zinc/19/91/81/204199181.db2.gz OCELTFWQVWIQLL-MAZHCROVSA-N 1 1 327.310 4.204 10 0 EIAEMO CC[C@H](C)[N@@H+](Cc1cccn1-c1nccs1)Cc1ccncc1 ZINC000055327378 563934459 /nfs/dbraw/zinc/93/44/59/563934459.db2.gz VMJYRGZDKUWTDI-HNNXBMFYSA-N 1 1 326.469 4.130 10 0 EIAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592886 563963268 /nfs/dbraw/zinc/96/32/68/563963268.db2.gz FWBIWXGKOUKNHP-XLMAVXFVSA-N 1 1 332.488 4.199 10 0 EIAEMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000004084139 564160417 /nfs/dbraw/zinc/16/04/17/564160417.db2.gz OCWMOVOEHOFLTA-GADAEZOWSA-N 1 1 345.527 4.423 10 0 EIAEMO COCCCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000116879694 1030907004 /nfs/dbraw/zinc/90/70/04/1030907004.db2.gz FTCZJOATJWSJGN-SFHVURJKSA-N 1 1 327.472 4.073 10 0 EIAEMO c1csc(C2=CC[N@@H+](Cc3ccc(N4CCCC4)nc3)CC2)c1 ZINC000093533755 1039712751 /nfs/dbraw/zinc/71/27/51/1039712751.db2.gz AVTUTNWGNJJEHG-UHFFFAOYSA-N 1 1 325.481 4.033 10 0 EIAEMO CCCCC[N@@H+](C)CC[C@H](NC)c1ccc(Br)cc1 ZINC000053939584 214206164 /nfs/dbraw/zinc/20/61/64/214206164.db2.gz UQUCKGBWPNAWBH-INIZCTEOSA-N 1 1 327.310 4.222 10 0 EIAEMO CCN[C@@H](CC[N@@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939393 214206345 /nfs/dbraw/zinc/20/63/45/214206345.db2.gz FGXAVPNEGTWABL-INIZCTEOSA-N 1 1 327.310 4.078 10 0 EIAEMO CCN[C@@H](CC[N@@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939208 214206354 /nfs/dbraw/zinc/20/63/54/214206354.db2.gz HOTGIIZGWSXTOO-INIZCTEOSA-N 1 1 327.310 4.220 10 0 EIAEMO CCCOc1c(Cl)cc(CNC[C@@H]2CCC[N@@H+]2CC)cc1Cl ZINC000020967533 202059925 /nfs/dbraw/zinc/05/99/25/202059925.db2.gz CNCXRDDSSKXBEJ-AWEZNQCLSA-N 1 1 345.314 4.356 10 0 EIAEMO CCCOc1c(Cl)cc(CNC[C@@H]2CCC[N@H+]2CC)cc1Cl ZINC000020967533 202059928 /nfs/dbraw/zinc/05/99/28/202059928.db2.gz CNCXRDDSSKXBEJ-AWEZNQCLSA-N 1 1 345.314 4.356 10 0 EIAEMO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000038041666 202090806 /nfs/dbraw/zinc/09/08/06/202090806.db2.gz JEHRWOVHVUXDLQ-LSDHHAIUSA-N 1 1 339.321 4.222 10 0 EIAEMO O[C@]1(c2ccc(Cl)cc2)CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000028878376 202178433 /nfs/dbraw/zinc/17/84/33/202178433.db2.gz UJDUEYVURZHWBC-HXUWFJFHSA-N 1 1 340.854 4.305 10 0 EIAEMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccnc2)cc1 ZINC000037522956 213152851 /nfs/dbraw/zinc/15/28/51/213152851.db2.gz KGWMOYHMSVWPOE-QFIPXVFZSA-N 1 1 331.463 4.441 10 0 EIAEMO C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Br)s1 ZINC000216407742 241189583 /nfs/dbraw/zinc/18/95/83/241189583.db2.gz ADUXFTNUUGJUSF-QWHCGFSZSA-N 1 1 345.350 4.426 10 0 EIAEMO C=Cc1c(C[N@H+](C)CC(C)=O)c2ccccc2n1Cc1ccccc1 ZINC000075567693 203318466 /nfs/dbraw/zinc/31/84/66/203318466.db2.gz VFVKOQBBRXVQNT-UHFFFAOYSA-N 1 1 332.447 4.353 10 0 EIAEMO C=Cc1c(C[N@@H+](C)CC(C)=O)c2ccccc2n1Cc1ccccc1 ZINC000075567693 203318470 /nfs/dbraw/zinc/31/84/70/203318470.db2.gz VFVKOQBBRXVQNT-UHFFFAOYSA-N 1 1 332.447 4.353 10 0 EIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](CN)c1ccc(Br)s1 ZINC000042606868 204112933 /nfs/dbraw/zinc/11/29/33/204112933.db2.gz XIIPWXKGEJMIMR-TUAOUCFPSA-N 1 1 331.323 4.021 10 0 EIAEMO C[C@H]1CCCC[C@H]1N(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042606868 204112939 /nfs/dbraw/zinc/11/29/39/204112939.db2.gz XIIPWXKGEJMIMR-TUAOUCFPSA-N 1 1 331.323 4.021 10 0 EIAEMO CCC(CC)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@H](N)CC ZINC000043020649 204198243 /nfs/dbraw/zinc/19/82/43/204198243.db2.gz YIIIRJFHQJKIJE-CVEARBPZSA-N 1 1 327.310 4.348 10 0 EIAEMO CCC(CC)N(C)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020649 204198254 /nfs/dbraw/zinc/19/82/54/204198254.db2.gz YIIIRJFHQJKIJE-CVEARBPZSA-N 1 1 327.310 4.348 10 0 EIAEMO CC[C@@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C(C)C ZINC000043020640 204199059 /nfs/dbraw/zinc/19/90/59/204199059.db2.gz OCELTFWQVWIQLL-APHBMKBZSA-N 1 1 327.310 4.204 10 0 EIAEMO CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)[C@@H](C)C(C)C ZINC000043020640 204199068 /nfs/dbraw/zinc/19/90/68/204199068.db2.gz OCELTFWQVWIQLL-APHBMKBZSA-N 1 1 327.310 4.204 10 0 EIAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](CC)CC(C)C ZINC000043020394 204199239 /nfs/dbraw/zinc/19/92/39/204199239.db2.gz DTHAKBIQZQNQGH-JKSUJKDBSA-N 1 1 327.310 4.205 10 0 EIAEMO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC)CC(C)C ZINC000043020394 204199245 /nfs/dbraw/zinc/19/92/45/204199245.db2.gz DTHAKBIQZQNQGH-JKSUJKDBSA-N 1 1 327.310 4.205 10 0 EIAEMO c1ccc(COc2ccc(C[NH2+]Cc3nc4ccccc4[nH]3)cc2)cc1 ZINC000113398213 207262823 /nfs/dbraw/zinc/26/28/23/207262823.db2.gz BHNBDFLIWAOVPQ-UHFFFAOYSA-N 1 1 343.430 4.432 10 0 EIAEMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856599 258001155 /nfs/dbraw/zinc/00/11/55/258001155.db2.gz WJXVFKYBSHGCGK-CVYDXHPNSA-N 1 1 332.488 4.199 10 0 EIAEMO CCOC(=O)[C@H]1CCCC[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000055292305 563934318 /nfs/dbraw/zinc/93/43/18/563934318.db2.gz DYKVXIZNZZFFBY-OAQYLSRUSA-N 1 1 337.463 4.236 10 0 EIAEMO C[C@@H]1[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000068593243 563963273 /nfs/dbraw/zinc/96/32/73/563963273.db2.gz ILMMOMVUQUFKMT-ATIFRJIPSA-N 1 1 346.515 4.445 10 0 EIAEMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592881 563963280 /nfs/dbraw/zinc/96/32/80/563963280.db2.gz FWBIWXGKOUKNHP-CBZIJGRNSA-N 1 1 332.488 4.199 10 0 EIAEMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C(N)=O)C2)s1 ZINC000328603126 564136833 /nfs/dbraw/zinc/13/68/33/564136833.db2.gz DWVREGKMUFOSIY-LBPRGKRZSA-N 1 1 346.500 4.032 10 0 EIAEMO COc1ccc(Br)c(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000087788133 1022149300 /nfs/dbraw/zinc/14/93/00/1022149300.db2.gz VICPRIZOCTVFSZ-MRXNPFEDSA-N 1 1 348.240 4.071 10 0 EIAEMO Cc1ncccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387303 1039686643 /nfs/dbraw/zinc/68/66/43/1039686643.db2.gz MCIBVENXKIOPGT-LJQANCHMSA-N 1 1 332.451 4.160 10 0 EIAEMO CC[N@@H+](CC[C@@H](N)c1ccccc1Br)C1CCCC1 ZINC000054017760 214211300 /nfs/dbraw/zinc/21/13/00/214211300.db2.gz XZMYQGYFVNMQCC-MRXNPFEDSA-N 1 1 325.294 4.104 10 0 EIAEMO c1ccc([C@H]2CC[N@H+](C[C@@H]3CCCc4c5c(ccc43)OCO5)C2)cc1 ZINC000003794361 210074981 /nfs/dbraw/zinc/07/49/81/210074981.db2.gz HAEPGZUGYMHCJE-ROUUACIJSA-N 1 1 335.447 4.325 10 0 investigational EIAEMO COc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccc(C)cc1 ZINC000020874013 202057399 /nfs/dbraw/zinc/05/73/99/202057399.db2.gz QDFJVZOEVBQRTN-UHFFFAOYSA-N 1 1 337.419 4.465 10 0 EIAEMO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccncc1 ZINC000020930367 202058785 /nfs/dbraw/zinc/05/87/85/202058785.db2.gz VLPMMLZILJIERW-UHFFFAOYSA-N 1 1 325.239 4.467 10 0 EIAEMO C[C@@H](c1ccccc1Br)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032484 202090480 /nfs/dbraw/zinc/09/04/80/202090480.db2.gz CPGXRZGJCRDNQM-LBPRGKRZSA-N 1 1 331.257 4.151 10 0 EIAEMO Fc1ccc(-c2noc3c2C[N@@H+](CCc2ccccc2)CC3)cc1F ZINC000023339336 202103382 /nfs/dbraw/zinc/10/33/82/202103382.db2.gz FOFMYLVQAGYGRJ-UHFFFAOYSA-N 1 1 340.373 4.221 10 0 EIAEMO C[C@@]1(c2ccc(Br)cc2)C[N@@H+](Cc2ccccc2)CCO1 ZINC000033883658 202269696 /nfs/dbraw/zinc/26/96/96/202269696.db2.gz VMUUMDUJNUXSBF-SFHVURJKSA-N 1 1 346.268 4.197 10 0 EIAEMO O=C(OCC[N@H+]1CCCC[C@H]1CCc1ccccc1)c1ccccc1 ZINC000033875304 202270411 /nfs/dbraw/zinc/27/04/11/202270411.db2.gz RWROXLLAKDRYIK-NRFANRHFSA-N 1 1 337.463 4.331 10 0 EIAEMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1O ZINC000036348742 202322525 /nfs/dbraw/zinc/32/25/25/202322525.db2.gz FUEMXMKUIIZUMK-QFIPXVFZSA-N 1 1 348.446 4.198 10 0 EIAEMO Fc1cccc(F)c1C[N@@H+]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000028641712 201388210 /nfs/dbraw/zinc/38/82/10/201388210.db2.gz MHCQGPSBRNOVHU-OAHLLOKOSA-N 1 1 339.389 4.199 10 0 EIAEMO Fc1cccc(F)c1C[N@H+]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000028641712 201388213 /nfs/dbraw/zinc/38/82/13/201388213.db2.gz MHCQGPSBRNOVHU-OAHLLOKOSA-N 1 1 339.389 4.199 10 0 EIAEMO C[C@H](c1c[nH]c2ccccc21)[C@@H]1C[N@H+](Cc2ccccc2)CCC1=O ZINC000031598877 201388363 /nfs/dbraw/zinc/38/83/63/201388363.db2.gz KHACYSVTSFLQMP-UZLBHIALSA-N 1 1 332.447 4.363 10 0 EIAEMO C[C@H](c1c[nH]c2ccccc21)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=O ZINC000031598877 201388365 /nfs/dbraw/zinc/38/83/65/201388365.db2.gz KHACYSVTSFLQMP-UZLBHIALSA-N 1 1 332.447 4.363 10 0 EIAEMO C[C@H]([NH2+]Cc1ccccn1)c1cc2cc(Br)ccc2o1 ZINC000019957751 212089154 /nfs/dbraw/zinc/08/91/54/212089154.db2.gz VAIPRJQMALATCZ-NSHDSACASA-N 1 1 331.213 4.441 10 0 EIAEMO CC[C@H](N)[C@@H](c1ccc(Br)cc1)[N@@H+](CC)CC(C)C ZINC000042952936 204184575 /nfs/dbraw/zinc/18/45/75/204184575.db2.gz PAHCLFHSSSAGAU-JKSUJKDBSA-N 1 1 327.310 4.205 10 0 EIAEMO CC[C@H](N)[C@H](c1ccc(Br)cc1)[N@@H+](C)[C@@H](C)C(C)C ZINC000042953354 204185412 /nfs/dbraw/zinc/18/54/12/204185412.db2.gz FBKDUXAJKSSLKE-RCBQFDQVSA-N 1 1 327.310 4.204 10 0 EIAEMO C[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCCC1 ZINC000043020010 204198078 /nfs/dbraw/zinc/19/80/78/204198078.db2.gz WWIOJCFPRZVCKV-LRDDRELGSA-N 1 1 325.294 4.102 10 0 EIAEMO C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C1CCCCC1 ZINC000043020010 204198089 /nfs/dbraw/zinc/19/80/89/204198089.db2.gz WWIOJCFPRZVCKV-LRDDRELGSA-N 1 1 325.294 4.102 10 0 EIAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@H+](C)CCC(C)C ZINC000043021234 204201193 /nfs/dbraw/zinc/20/11/93/204201193.db2.gz DPQSPRLPPDSMKA-CVEARBPZSA-N 1 1 327.310 4.205 10 0 EIAEMO CC[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)CCC(C)C ZINC000043021234 204201198 /nfs/dbraw/zinc/20/11/98/204201198.db2.gz DPQSPRLPPDSMKA-CVEARBPZSA-N 1 1 327.310 4.205 10 0 EIAEMO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1[N@@H+]1CCC[C@H](C)C1 ZINC000226329954 205129119 /nfs/dbraw/zinc/12/91/19/205129119.db2.gz PQXDAANCHYDLGE-ZDUSSCGKSA-N 1 1 341.430 4.205 10 0 EIAEMO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1[N@H+]1CCC[C@H](C)C1 ZINC000226329954 205129124 /nfs/dbraw/zinc/12/91/24/205129124.db2.gz PQXDAANCHYDLGE-ZDUSSCGKSA-N 1 1 341.430 4.205 10 0 EIAEMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 ZINC000503719088 257830584 /nfs/dbraw/zinc/83/05/84/257830584.db2.gz XOPIBPXJLAEEGX-FCHUYYIVSA-N 1 1 340.486 4.352 10 0 EIAEMO CC(C)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 ZINC000503719088 257830585 /nfs/dbraw/zinc/83/05/85/257830585.db2.gz XOPIBPXJLAEEGX-FCHUYYIVSA-N 1 1 340.486 4.352 10 0 EIAEMO CC(C)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2)[C@@H]1Cc1ccccc1 ZINC000503719088 257830587 /nfs/dbraw/zinc/83/05/87/257830587.db2.gz XOPIBPXJLAEEGX-FCHUYYIVSA-N 1 1 340.486 4.352 10 0 EIAEMO CC(C)CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CC(C)C)C[C@H]1C ZINC000242648542 258000588 /nfs/dbraw/zinc/00/05/88/258000588.db2.gz QYXNEPIUJFMIRM-IAGOWNOFSA-N 1 1 326.525 4.246 10 0 EIAEMO C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000238856907 258001145 /nfs/dbraw/zinc/00/11/45/258001145.db2.gz XQHWJVYZQCZBNX-HPFXQQBRSA-N 1 1 332.488 4.056 10 0 EIAEMO Cc1cc(C[N@@H+]2CCCC[C@@H]2C)c(C)cc1I ZINC000675075524 564113134 /nfs/dbraw/zinc/11/31/34/564113134.db2.gz QWNBHMWOEYKUNS-ZDUSSCGKSA-N 1 1 343.252 4.282 10 0 EIAEMO CC[C@H](CO)[N@@H+](Cc1cccs1)Cc1ccnc2ccccc12 ZINC000055342022 563934471 /nfs/dbraw/zinc/93/44/71/563934471.db2.gz JWUPNEVVPDQSPK-MRXNPFEDSA-N 1 1 326.465 4.069 10 0 EIAEMO C[C@@H]1C(NC(=O)OC(C)(C)C)[C@@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592748 563963256 /nfs/dbraw/zinc/96/32/56/563963256.db2.gz YASBDTKCNDHYRQ-VPQNOXPISA-N 1 1 346.515 4.445 10 0 EIAEMO CN1C[C@@H]2C[C@@H](c3ccc(C4CCCCC4)s3)[N@H+]3CCC[C@@]23C1=O ZINC000015070744 564053256 /nfs/dbraw/zinc/05/32/56/564053256.db2.gz HEJHKQIXOXEJEN-FTRWYGJKSA-N 1 1 344.524 4.163 10 0 EIAEMO O=C(NCC1CC1)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000106610577 564177305 /nfs/dbraw/zinc/17/73/05/564177305.db2.gz YMOSAYYMOZAAQK-YADHBBJMSA-N 1 1 348.490 4.166 10 0 EIAEMO Fc1ccccc1NC1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000128969900 1031769767 /nfs/dbraw/zinc/76/97/67/1031769767.db2.gz ZGIPZTXAZZYELI-UHFFFAOYSA-N 1 1 325.387 4.043 10 0 EIAEMO Clc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cc[nH]c4)C3)n2)cc1 ZINC000092966556 1039610161 /nfs/dbraw/zinc/61/01/61/1039610161.db2.gz NGJHHQJQUOHWCP-HNNXBMFYSA-N 1 1 342.830 4.098 10 0 EIAEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000076389469 1045893522 /nfs/dbraw/zinc/89/35/22/1045893522.db2.gz KKWHJZDLIDEENK-YJBOKZPZSA-N 1 1 349.434 4.123 10 0 EIAEMO CCC[N@@H+](CC)CC[C@H](NCC)c1cccc(Br)c1 ZINC000053938864 214206475 /nfs/dbraw/zinc/20/64/75/214206475.db2.gz BSXAPVAHJPHSMC-INIZCTEOSA-N 1 1 327.310 4.222 10 0 EIAEMO CC[N@@H+]([C@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019475384 202009237 /nfs/dbraw/zinc/00/92/37/202009237.db2.gz RTCJOHXIKUBUSK-GFCCVEGCSA-N 1 1 331.323 4.165 10 0 EIAEMO CCN([C@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019475384 202009242 /nfs/dbraw/zinc/00/92/42/202009242.db2.gz RTCJOHXIKUBUSK-GFCCVEGCSA-N 1 1 331.323 4.165 10 0 EIAEMO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032639 202090005 /nfs/dbraw/zinc/09/00/05/202090005.db2.gz WACULMUWZQGVBF-LBPRGKRZSA-N 1 1 331.257 4.151 10 0 EIAEMO C[C@@H](c1ccc(Br)cc1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032639 202090008 /nfs/dbraw/zinc/09/00/08/202090008.db2.gz WACULMUWZQGVBF-LBPRGKRZSA-N 1 1 331.257 4.151 10 0 EIAEMO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000038041798 202091528 /nfs/dbraw/zinc/09/15/28/202091528.db2.gz SMOPZWIHSDSSBB-LSDHHAIUSA-N 1 1 339.321 4.222 10 0 EIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccc(C)cc1 ZINC000022936741 202094594 /nfs/dbraw/zinc/09/45/94/202094594.db2.gz GVGOBMSFIXOZHW-NRFANRHFSA-N 1 1 338.495 4.148 10 0 EIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccc(C)cc1 ZINC000022936741 202094597 /nfs/dbraw/zinc/09/45/97/202094597.db2.gz GVGOBMSFIXOZHW-NRFANRHFSA-N 1 1 338.495 4.148 10 0 EIAEMO C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(N)cc1Br ZINC000042738305 204142379 /nfs/dbraw/zinc/14/23/79/204142379.db2.gz SCTOGDVPCDIGBK-SNVBAGLBSA-N 1 1 337.286 4.212 10 0 EIAEMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(N)cc1Br ZINC000042738305 204142381 /nfs/dbraw/zinc/14/23/81/204142381.db2.gz SCTOGDVPCDIGBK-SNVBAGLBSA-N 1 1 337.286 4.212 10 0 EIAEMO C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1Br ZINC000037276884 525554888 /nfs/dbraw/zinc/55/48/88/525554888.db2.gz HPNTUHFNGHEUAU-GFCCVEGCSA-N 1 1 336.277 4.251 10 0 EIAEMO CC(C)C[N@@H+](Cc1ccc(-c2cncnc2)cc1)Cc1ccccn1 ZINC000055120557 563933785 /nfs/dbraw/zinc/93/37/85/563933785.db2.gz WVWHEHKBMHKMIF-UHFFFAOYSA-N 1 1 332.451 4.197 10 0 EIAEMO CCC(=O)N(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000038883702 564042985 /nfs/dbraw/zinc/04/29/85/564042985.db2.gz MSAFCEWTMBDBFQ-GHTZIAJQSA-N 1 1 336.479 4.340 10 0 in-vitro EIAEMO CC(C)c1nn(C)c(Cl)c1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000092758861 1039581798 /nfs/dbraw/zinc/58/17/98/1039581798.db2.gz DHQDZWPAVZMPTI-UHFFFAOYSA-N 1 1 339.911 4.121 10 0 EIAEMO C[N@@H+](CC[C@@H](N)c1cccc(Br)c1)C1CCCCC1 ZINC000053938398 214205840 /nfs/dbraw/zinc/20/58/40/214205840.db2.gz RHHZUXSZASDARE-MRXNPFEDSA-N 1 1 325.294 4.104 10 0 EIAEMO c1ccc(-c2n[nH]c3c2C[N@@H+](Cc2cccc4cccnc42)CC3)cc1 ZINC000020202128 202035835 /nfs/dbraw/zinc/03/58/35/202035835.db2.gz UYMLUSSFKYSHKF-UHFFFAOYSA-N 1 1 340.430 4.183 10 0 EIAEMO CC[N@@H+](Cc1ccc(Br)s1)Cc1cccc(N)c1 ZINC000035064334 202286626 /nfs/dbraw/zinc/28/66/26/202286626.db2.gz KADHRNXJDVVSFP-UHFFFAOYSA-N 1 1 325.275 4.115 10 0 EIAEMO CC(C)C[C@@H](CN[C@H](C)c1ccc(Br)s1)[NH+](C)C ZINC000038002139 202383458 /nfs/dbraw/zinc/38/34/58/202383458.db2.gz VRQPWZGCYSRDBF-NEPJUHHUSA-N 1 1 333.339 4.138 10 0 EIAEMO C[N@@H+]1C[C@H](c2ccccc2)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000255975942 201190657 /nfs/dbraw/zinc/19/06/57/201190657.db2.gz HDDWJXJLZCWVBF-IAGOWNOFSA-N 1 1 333.353 4.087 10 0 EIAEMO C[N@H+]1C[C@H](c2ccccc2)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000255975942 201190661 /nfs/dbraw/zinc/19/06/61/201190661.db2.gz HDDWJXJLZCWVBF-IAGOWNOFSA-N 1 1 333.353 4.087 10 0 EIAEMO CCC(C)(C)c1ccc(C(=O)[C@H](C)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000083312309 201368131 /nfs/dbraw/zinc/36/81/31/201368131.db2.gz XMHJYUPEQOVPHC-ZACQAIPSSA-N 1 1 331.500 4.302 10 0 EIAEMO CCC(C)(C)c1ccc(C(=O)[C@H](C)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000083312309 201368134 /nfs/dbraw/zinc/36/81/34/201368134.db2.gz XMHJYUPEQOVPHC-ZACQAIPSSA-N 1 1 331.500 4.302 10 0 EIAEMO O[C@H]1CCC[N@H+](C(c2ccccc2)(c2ccccc2)c2ccccc2)C1 ZINC000090715514 201373677 /nfs/dbraw/zinc/37/36/77/201373677.db2.gz ASSFHQSRAWZCQR-QHCPKHFHSA-N 1 1 343.470 4.435 10 0 EIAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)C1CCCC1 ZINC000043020338 204198781 /nfs/dbraw/zinc/19/87/81/204198781.db2.gz PJEHFNSEODPHMU-JKSUJKDBSA-N 1 1 325.294 4.102 10 0 EIAEMO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)C1CCCC1 ZINC000043020338 204198786 /nfs/dbraw/zinc/19/87/86/204198786.db2.gz PJEHFNSEODPHMU-JKSUJKDBSA-N 1 1 325.294 4.102 10 0 EIAEMO CC[C@H](N)[C@@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C(C)C ZINC000043020639 204199022 /nfs/dbraw/zinc/19/90/22/204199022.db2.gz OCELTFWQVWIQLL-VBNZEHGJSA-N 1 1 327.310 4.204 10 0 EIAEMO CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(C)[C@@H](C)C(C)C ZINC000043020639 204199028 /nfs/dbraw/zinc/19/90/28/204199028.db2.gz OCELTFWQVWIQLL-VBNZEHGJSA-N 1 1 327.310 4.204 10 0 EIAEMO CC[C@@H](C)[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000055369445 563934560 /nfs/dbraw/zinc/93/45/60/563934560.db2.gz UKXGTDBVQCHDTC-OAHLLOKOSA-N 1 1 328.504 4.451 10 0 EIAEMO C[C@@H]1[C@@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593241 563963277 /nfs/dbraw/zinc/96/32/77/563963277.db2.gz ILMMOMVUQUFKMT-RXYDEIHYSA-N 1 1 346.515 4.445 10 0 EIAEMO Cc1nc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)oc1C ZINC000114481789 1029035525 /nfs/dbraw/zinc/03/55/25/1029035525.db2.gz YSTLVGOAMDCWML-KRWDZBQOSA-N 1 1 336.439 4.061 10 0 EIAEMO O=C(CC[N@@H+]1CC=C(c2cccs2)CC1)Nc1ccccc1F ZINC000117893721 1031395612 /nfs/dbraw/zinc/39/56/12/1031395612.db2.gz TVSVKRLQOIPGLK-UHFFFAOYSA-N 1 1 330.428 4.005 10 0 EIAEMO CC(C)C[N@@H+](CC[C@@H](N)c1cccc(Br)c1)C(C)C ZINC000053971878 214207713 /nfs/dbraw/zinc/20/77/13/214207713.db2.gz KIPBPTPSHBEOSA-MRXNPFEDSA-N 1 1 327.310 4.205 10 0 EIAEMO CCCC[N@@H+](CC[C@H](O)c1cccc(Br)c1)C1CC1 ZINC000053973237 214209133 /nfs/dbraw/zinc/20/91/33/214209133.db2.gz KVGJNRLQJFUYSU-INIZCTEOSA-N 1 1 326.278 4.137 10 0 EIAEMO C[NH2+][C@H](c1ccccc1Br)c1cc(Cl)ccc1OC ZINC000055226941 214292892 /nfs/dbraw/zinc/29/28/92/214292892.db2.gz PULNQWDUBLWPSP-OAHLLOKOSA-N 1 1 340.648 4.420 10 0 EIAEMO Cl/C(=C\c1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019633680 202014831 /nfs/dbraw/zinc/01/48/31/202014831.db2.gz HOUDRLFYDSKMCK-HKWRFOASSA-N 1 1 326.871 4.084 10 0 EIAEMO Cc1cc(Br)cc(C)c1N[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000037772394 202035714 /nfs/dbraw/zinc/03/57/14/202035714.db2.gz VUUSOYVAGBBZEF-KCQAQPDRSA-N 1 1 325.294 4.207 10 0 EIAEMO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccn1 ZINC000020930360 202058712 /nfs/dbraw/zinc/05/87/12/202058712.db2.gz FEPFXEGQQUBYBV-UHFFFAOYSA-N 1 1 325.239 4.467 10 0 EIAEMO C[NH2+][C@H](c1ccc(Br)s1)c1c(F)cc(OC)cc1F ZINC000037903425 202061241 /nfs/dbraw/zinc/06/12/41/202061241.db2.gz SHPWVAJKBOXFQP-CYBMUJFWSA-N 1 1 348.212 4.106 10 0 EIAEMO C[C@H](c1ccccc1Br)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032485 202091619 /nfs/dbraw/zinc/09/16/19/202091619.db2.gz CPGXRZGJCRDNQM-GFCCVEGCSA-N 1 1 331.257 4.151 10 0 EIAEMO CC[NH+](CC)C[C@H](C)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000027549741 202155741 /nfs/dbraw/zinc/15/57/41/202155741.db2.gz LAUYMVDAYJGGBO-LBPRGKRZSA-N 1 1 325.378 4.396 10 0 EIAEMO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@H](C)[N@H+]3C)[C@@H]12 ZINC000028336911 202168689 /nfs/dbraw/zinc/16/86/89/202168689.db2.gz FMPNFDSPHNUFOS-HQEQRHKESA-N 1 1 345.527 4.419 10 0 EIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000035805138 202310259 /nfs/dbraw/zinc/31/02/59/202310259.db2.gz LAXWIRDYMCJDCA-OAHLLOKOSA-N 1 1 332.875 4.482 10 0 EIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000035805138 202310262 /nfs/dbraw/zinc/31/02/62/202310262.db2.gz LAXWIRDYMCJDCA-OAHLLOKOSA-N 1 1 332.875 4.482 10 0 EIAEMO Cc1ncsc1[C@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039184 202388965 /nfs/dbraw/zinc/38/89/65/202388965.db2.gz XIPPRLCNDFYYQH-QMMMGPOBSA-N 1 1 329.238 4.204 10 0 EIAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000101417545 204007134 /nfs/dbraw/zinc/00/71/34/204007134.db2.gz ORBLPFKGRVVFDQ-KYHPRHEASA-N 1 1 332.488 4.199 10 0 EIAEMO CC[N@@H+]([C@H](c1ccc(Br)cc1)[C@@H](C)N)C1CCCC1 ZINC000042953206 204184636 /nfs/dbraw/zinc/18/46/36/204184636.db2.gz PIMGDXCDDJPOKO-WBMJQRKESA-N 1 1 325.294 4.102 10 0 EIAEMO CCN([C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CCCC1 ZINC000042953206 204184640 /nfs/dbraw/zinc/18/46/40/204184640.db2.gz PIMGDXCDDJPOKO-WBMJQRKESA-N 1 1 325.294 4.102 10 0 EIAEMO C[C@@H](N)[C@H](c1cccc(Br)c1)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000043021929 204201139 /nfs/dbraw/zinc/20/11/39/204201139.db2.gz SXDCRBLHFVKJNO-TYNCELHUSA-N 1 1 327.310 4.204 10 0 EIAEMO C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)[C@@H](C)C(C)(C)C ZINC000043021929 204201141 /nfs/dbraw/zinc/20/11/41/204201141.db2.gz SXDCRBLHFVKJNO-TYNCELHUSA-N 1 1 327.310 4.204 10 0 EIAEMO [NH3+][C@H](Cc1ccccc1)c1nnc(SCc2cccc(Cl)c2)o1 ZINC000006475404 206396729 /nfs/dbraw/zinc/39/67/29/206396729.db2.gz XUHYYNSUNPETRN-OAHLLOKOSA-N 1 1 345.855 4.258 10 0 EIAEMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@H+]4CCCC(C)(C)C4)[C@H]3C=C12 ZINC000012880423 207256340 /nfs/dbraw/zinc/25/63/40/207256340.db2.gz OCWMOVOEHOFLTA-PWYRSOQJSA-N 1 1 345.527 4.423 10 0 EIAEMO Cc1cccc(C[NH2+]Cc2cccnc2Oc2ccc(F)cc2F)n1 ZINC000055035936 563933329 /nfs/dbraw/zinc/93/33/29/563933329.db2.gz XCZONPCQPWMFOW-UHFFFAOYSA-N 1 1 341.361 4.145 10 0 EIAEMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1ccnc2ccccc12 ZINC000055342019 563934478 /nfs/dbraw/zinc/93/44/78/563934478.db2.gz JWUPNEVVPDQSPK-INIZCTEOSA-N 1 1 326.465 4.069 10 0 EIAEMO CC[C@@H](C)[N@@H+](Cc1ccncc1)Cc1ccc(OC)c(COC)c1 ZINC000055575260 563934875 /nfs/dbraw/zinc/93/48/75/563934875.db2.gz RJOYMHDBFHNNEG-MRXNPFEDSA-N 1 1 328.456 4.037 10 0 EIAEMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000068592993 563963299 /nfs/dbraw/zinc/96/32/99/563963299.db2.gz XQHWJVYZQCZBNX-YFHUEUNASA-N 1 1 332.488 4.056 10 0 EIAEMO c1ccc(CC[N@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065372725 564105582 /nfs/dbraw/zinc/10/55/82/564105582.db2.gz HWGDLRMIRZSFIB-NRFANRHFSA-N 1 1 329.447 4.176 10 0 EIAEMO CC(C)[C@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670071 1039083982 /nfs/dbraw/zinc/08/39/82/1039083982.db2.gz PNLXTLBIDMDAMH-ACJLOTCBSA-N 1 1 325.456 4.484 10 0 EIAEMO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C[C@H]1NC(=O)OC(C)(C)C ZINC000101417550 219126601 /nfs/dbraw/zinc/12/66/01/219126601.db2.gz ORBLPFKGRVVFDQ-LISAXSMJSA-N 1 1 332.488 4.199 10 0 EIAEMO CCC[C@H](C)[N@@H+](CC)Cc1ccccc1-c1nc(C(F)F)cc(=O)[nH]1 ZINC000067947562 215256631 /nfs/dbraw/zinc/25/66/31/215256631.db2.gz WQMMQKZFQNPIND-ZDUSSCGKSA-N 1 1 349.425 4.385 10 0 EIAEMO C[C@@H]1[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592888 215321951 /nfs/dbraw/zinc/32/19/51/215321951.db2.gz FWBIWXGKOUKNHP-UIBIWLFHSA-N 1 1 332.488 4.199 10 0 EIAEMO C[N@H+](Cc1cccc(Br)c1)Cc1c(N)cccc1Cl ZINC000104309183 219372470 /nfs/dbraw/zinc/37/24/70/219372470.db2.gz XTAKDXGYYAFWBH-UHFFFAOYSA-N 1 1 339.664 4.317 10 0 EIAEMO C[N@@H+](Cc1cccc(Br)c1)Cc1c(N)cccc1Cl ZINC000104309183 219372474 /nfs/dbraw/zinc/37/24/74/219372474.db2.gz XTAKDXGYYAFWBH-UHFFFAOYSA-N 1 1 339.664 4.317 10 0 EIAEMO C[C@@H](CN[C@@H](C)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000038041796 213197007 /nfs/dbraw/zinc/19/70/07/213197007.db2.gz SMOPZWIHSDSSBB-GJZGRUSLSA-N 1 1 339.321 4.222 10 0 EIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000035805153 213048750 /nfs/dbraw/zinc/04/87/50/213048750.db2.gz GWBPRTSJFOIQQW-AWEZNQCLSA-N 1 1 336.838 4.313 10 0 EIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000035805153 213048753 /nfs/dbraw/zinc/04/87/53/213048753.db2.gz GWBPRTSJFOIQQW-AWEZNQCLSA-N 1 1 336.838 4.313 10 0 EIAEMO C[NH2+][C@@H](c1ccc(C)o1)c1cc(Cl)cc(Br)c1OC ZINC000035457925 213029710 /nfs/dbraw/zinc/02/97/10/213029710.db2.gz WBRPGHKCHYOFIC-CYBMUJFWSA-N 1 1 344.636 4.321 10 0 EIAEMO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H]([NH2+]Cc2nccs2)C1 ZINC000012297836 211335124 /nfs/dbraw/zinc/33/51/24/211335124.db2.gz QOZDKQSMXFDALK-MRXNPFEDSA-N 1 1 338.480 4.132 10 0 EIAEMO CCCC[C@@H]1C[N@H+](Cc2ccc(COC)o2)Cc2ccccc2O1 ZINC000014978249 564037126 /nfs/dbraw/zinc/03/71/26/564037126.db2.gz HNKGOEUQEUFEHD-QGZVFWFLSA-N 1 1 329.440 4.379 10 0 EIAEMO CCCC[C@@H]1C[N@@H+](Cc2ccc(COC)o2)Cc2ccccc2O1 ZINC000014978249 564037127 /nfs/dbraw/zinc/03/71/27/564037127.db2.gz HNKGOEUQEUFEHD-QGZVFWFLSA-N 1 1 329.440 4.379 10 0 EIAEMO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000015069551 564053249 /nfs/dbraw/zinc/05/32/49/564053249.db2.gz GLUREBCEEZOVJN-INIZCTEOSA-N 1 1 339.414 4.497 10 0 EIAEMO COc1ccc([C@H]([NH2+][C@@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129115466 1031778974 /nfs/dbraw/zinc/77/89/74/1031778974.db2.gz WDLLXVYJXLLBIW-YOEHRIQHSA-N 1 1 347.528 4.028 10 0 EIAEMO CCCCCC(C)(C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000084551506 1038793623 /nfs/dbraw/zinc/79/36/23/1038793623.db2.gz IQXCUFTVOHTTSP-UHFFFAOYSA-N 1 1 331.504 4.082 10 0 EIAEMO C[N@@H+](CCNc1ccc(Br)cc1)Cc1cccs1 ZINC000053381174 214180256 /nfs/dbraw/zinc/18/02/56/214180256.db2.gz UDIDTHDMKAXZJG-UHFFFAOYSA-N 1 1 325.275 4.055 10 0 EIAEMO COCC[N@@H+](C/C=C/c1ccccc1)Cc1ccc2ccccc2n1 ZINC000055369268 214313073 /nfs/dbraw/zinc/31/30/73/214313073.db2.gz ZNKAICZTWHPTLV-JXMROGBWSA-N 1 1 332.447 4.397 10 0 EIAEMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1cnc2ccccc2c1 ZINC000055392900 214316725 /nfs/dbraw/zinc/31/67/25/214316725.db2.gz VEWBOEWLHCTDNP-GOSISDBHSA-N 1 1 326.465 4.069 10 0 EIAEMO C[NH2+][C@H](c1ccc(Br)o1)c1ccc(OC)cc1Cl ZINC000036768280 213117475 /nfs/dbraw/zinc/11/74/75/213117475.db2.gz YGLUPDWTOINDMQ-ZDUSSCGKSA-N 1 1 330.609 4.013 10 0 EIAEMO CC(C)N(CC[NH2+][C@@H](C)c1cccc(Br)c1)C(C)C ZINC000019901006 212080512 /nfs/dbraw/zinc/08/05/12/212080512.db2.gz AAXQNMKIDHCPHF-AWEZNQCLSA-N 1 1 327.310 4.219 10 0 EIAEMO OC[C@@H](Nc1cc[nH+]c2cc(Br)ccc12)c1ccccc1 ZINC000078850387 217134307 /nfs/dbraw/zinc/13/43/07/217134307.db2.gz CIWUOWANHIPETP-QGZVFWFLSA-N 1 1 343.224 4.143 10 0 EIAEMO c1ccc2c(c1)cccc2-c1n[nH]c2c1C[N@H+](Cc1cccnc1)CC2 ZINC000012433846 211380511 /nfs/dbraw/zinc/38/05/11/211380511.db2.gz BYQVOVKQJBPXIF-UHFFFAOYSA-N 1 1 340.430 4.183 10 0 EIAEMO c1ccc2c(c1)cccc2-c1n[nH]c2c1C[N@@H+](Cc1cccnc1)CC2 ZINC000012433846 211380515 /nfs/dbraw/zinc/38/05/15/211380515.db2.gz BYQVOVKQJBPXIF-UHFFFAOYSA-N 1 1 340.430 4.183 10 0 EIAEMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000226323658 535327907 /nfs/dbraw/zinc/32/79/07/535327907.db2.gz RBGQUEQGSMFLFC-HOTGVXAUSA-N 1 1 331.504 4.013 10 0 EIAEMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000226323654 535327933 /nfs/dbraw/zinc/32/79/33/535327933.db2.gz RBGQUEQGSMFLFC-HZPDHXFCSA-N 1 1 331.504 4.013 10 0 EIAEMO C[N@@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000032105542 564129159 /nfs/dbraw/zinc/12/91/59/564129159.db2.gz CZGMCXMFKOCFDA-LMLDJKJJSA-N 1 1 347.543 4.048 10 0 EIAEMO C[N@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000032105542 564129160 /nfs/dbraw/zinc/12/91/60/564129160.db2.gz CZGMCXMFKOCFDA-LMLDJKJJSA-N 1 1 347.543 4.048 10 0 EIAEMO Cc1nc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)oc1C ZINC000114481791 1029034611 /nfs/dbraw/zinc/03/46/11/1029034611.db2.gz YSTLVGOAMDCWML-QGZVFWFLSA-N 1 1 336.439 4.061 10 0 EIAEMO CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1nccn1C(F)F)CCCO2 ZINC000126613627 1031656266 /nfs/dbraw/zinc/65/62/66/1031656266.db2.gz RALNTNWIJMJMCR-OAHLLOKOSA-N 1 1 335.398 4.405 10 0 EIAEMO C[NH+](C)CCC1CCN(Cc2ncc(-c3ccccc3Cl)o2)CC1 ZINC000075644938 1045838306 /nfs/dbraw/zinc/83/83/06/1045838306.db2.gz KJEKRLOSXNDOFK-UHFFFAOYSA-N 1 1 347.890 4.159 10 0 EIAEMO Oc1ccc(Cl)cc1C1=[N+](c2ccc(C(F)(F)F)cc2)CC=N1 ZINC000053685252 214194184 /nfs/dbraw/zinc/19/41/84/214194184.db2.gz SUHHBZVHXILLQP-UHFFFAOYSA-N 1 1 338.716 4.122 10 0 EIAEMO CN(CC[C@@H]([NH3+])c1ccccc1Br)Cc1cccs1 ZINC000054017620 214210771 /nfs/dbraw/zinc/21/07/71/214210771.db2.gz MVFGSZRLRQERPE-OAHLLOKOSA-N 1 1 339.302 4.033 10 0 EIAEMO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(N)cc1Br ZINC000049725950 214030187 /nfs/dbraw/zinc/03/01/87/214030187.db2.gz SDHGHTQFFFKCCV-JTQLQIEISA-N 1 1 325.275 4.286 10 0 EIAEMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(N)cc1Br ZINC000049725950 214030189 /nfs/dbraw/zinc/03/01/89/214030189.db2.gz SDHGHTQFFFKCCV-JTQLQIEISA-N 1 1 325.275 4.286 10 0 EIAEMO C[C@@H]1[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593229 215321401 /nfs/dbraw/zinc/32/14/01/215321401.db2.gz QBFXTPLFVTYROG-YFHUEUNASA-N 1 1 332.488 4.056 10 0 EIAEMO CC(C)(C)Nc1[nH+]cnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040680612 213367738 /nfs/dbraw/zinc/36/77/38/213367738.db2.gz CYRFRAUBVRQOJH-UHFFFAOYSA-N 1 1 347.466 4.471 10 0 EIAEMO CC(C)(C)Nc1nc[nH+]c(NC(c2ccccc2)c2ccccc2)c1N ZINC000040680612 213367741 /nfs/dbraw/zinc/36/77/41/213367741.db2.gz CYRFRAUBVRQOJH-UHFFFAOYSA-N 1 1 347.466 4.471 10 0 EIAEMO C[C@@H](CN[C@@H](C)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000038041664 213197521 /nfs/dbraw/zinc/19/75/21/213197521.db2.gz JEHRWOVHVUXDLQ-GJZGRUSLSA-N 1 1 339.321 4.222 10 0 EIAEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)o1 ZINC000037976268 213178988 /nfs/dbraw/zinc/17/89/88/213178988.db2.gz HWHBPEMRPZFNEH-JTQLQIEISA-N 1 1 327.211 4.184 10 0 EIAEMO Cc1cc(Br)cc(C)c1N[C@H](C)[C@@H]1CCC[N@@H+](C)C1 ZINC000037772416 213166293 /nfs/dbraw/zinc/16/62/93/213166293.db2.gz FRYYEKJXBKURQJ-ZIAGYGMSSA-N 1 1 325.294 4.208 10 0 EIAEMO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCN1CC ZINC000020967971 212193642 /nfs/dbraw/zinc/19/36/42/212193642.db2.gz BLBYTXSMFDBTFG-HNNXBMFYSA-N 1 1 345.314 4.356 10 0 EIAEMO CCCOc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCC[N@H+]1CC ZINC000020967971 212193638 /nfs/dbraw/zinc/19/36/38/212193638.db2.gz BLBYTXSMFDBTFG-HNNXBMFYSA-N 1 1 345.314 4.356 10 0 EIAEMO CC[NH+](CC)CCNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000020874512 212180718 /nfs/dbraw/zinc/18/07/18/212180718.db2.gz PHOQLWKZUQQUBG-UHFFFAOYSA-N 1 1 326.484 4.005 10 0 EIAEMO C[C@@H]([NH2+]Cc1ccccn1)c1cc2cc(Br)ccc2o1 ZINC000019957748 212089728 /nfs/dbraw/zinc/08/97/28/212089728.db2.gz VAIPRJQMALATCZ-LLVKDONJSA-N 1 1 331.213 4.441 10 0 EIAEMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000097393863 219022214 /nfs/dbraw/zinc/02/22/14/219022214.db2.gz MBDHMOIIEDLGRB-MRXNPFEDSA-N 1 1 335.492 4.015 10 0 EIAEMO C[C@@H]1[C@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238853143 258001134 /nfs/dbraw/zinc/00/11/34/258001134.db2.gz ILMMOMVUQUFKMT-KMOPNRPKSA-N 1 1 346.515 4.445 10 0 EIAEMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000226323631 535327688 /nfs/dbraw/zinc/32/76/88/535327688.db2.gz CEIOJRKNTZTLKK-HOTGVXAUSA-N 1 1 331.504 4.298 10 0 EIAEMO CCOc1c(C[NH2+]Cc2ccccc2OC)cc(Cl)cc1OC ZINC000013720808 563716372 /nfs/dbraw/zinc/71/63/72/563716372.db2.gz CDQDTABNLFQBOB-UHFFFAOYSA-N 1 1 335.831 4.046 10 0 EIAEMO CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1nccn1C(F)F)CCCO2 ZINC000126613863 1031657064 /nfs/dbraw/zinc/65/70/64/1031657064.db2.gz RALNTNWIJMJMCR-HNNXBMFYSA-N 1 1 335.398 4.405 10 0 EIAEMO COc1ccc([C@H]([NH2+][C@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129115685 1031779662 /nfs/dbraw/zinc/77/96/62/1031779662.db2.gz WDLLXVYJXLLBIW-PBHICJAKSA-N 1 1 347.528 4.028 10 0 EIAEMO CC(C)[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670072 1039083265 /nfs/dbraw/zinc/08/32/65/1039083265.db2.gz PNLXTLBIDMDAMH-FZKQIMNGSA-N 1 1 325.456 4.484 10 0 EIAEMO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788730 1039588198 /nfs/dbraw/zinc/58/81/98/1039588198.db2.gz OASPDQBARVCGQX-ZDUSSCGKSA-N 1 1 342.443 4.052 10 0 EIAEMO CC[NH2+][C@H](c1ccc(CC)o1)c1ccc(Br)cc1F ZINC000051727785 214102075 /nfs/dbraw/zinc/10/20/75/214102075.db2.gz NGPNZXPCCLSOGG-HNNXBMFYSA-N 1 1 326.209 4.443 10 0 EIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCNCc1cc(Br)cs1 ZINC000053439266 214182527 /nfs/dbraw/zinc/18/25/27/214182527.db2.gz IAXTWWMMLPLAMS-WFASDCNBSA-N 1 1 345.350 4.111 10 0 EIAEMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1ccc2c(C)cc(=O)oc2c1 ZINC000055197536 214287245 /nfs/dbraw/zinc/28/72/45/214287245.db2.gz ICVVNIFYTFDISA-INIZCTEOSA-N 1 1 336.435 4.297 10 0 EIAEMO C[C@@H](c1cccs1)[N@H+](C)Cc1c(N)cccc1Br ZINC000049725978 214030407 /nfs/dbraw/zinc/03/04/07/214030407.db2.gz UGNGAOKYVKNDNJ-JTQLQIEISA-N 1 1 325.275 4.286 10 0 EIAEMO C[C@@H](c1cccs1)[N@@H+](C)Cc1c(N)cccc1Br ZINC000049725978 214030410 /nfs/dbraw/zinc/03/04/10/214030410.db2.gz UGNGAOKYVKNDNJ-JTQLQIEISA-N 1 1 325.275 4.286 10 0 EIAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1cccc(Br)c1 ZINC000103973472 219334910 /nfs/dbraw/zinc/33/49/10/219334910.db2.gz KVVYBHARXFPSLB-CZUORRHYSA-N 1 1 326.278 4.338 10 0 EIAEMO CC[N@H+]1CCC[C@H]([C@@H](C)Nc2cc(Br)ccc2F)C1 ZINC000036750525 213115578 /nfs/dbraw/zinc/11/55/78/213115578.db2.gz KFSFHEXJFBGHJO-NEPJUHHUSA-N 1 1 329.257 4.121 10 0 EIAEMO CCCOc1c(Cl)cc(Cl)cc1CNC[C@H]1CCC[N@H+]1CC ZINC000020967974 212193142 /nfs/dbraw/zinc/19/31/42/212193142.db2.gz BLBYTXSMFDBTFG-OAHLLOKOSA-N 1 1 345.314 4.356 10 0 EIAEMO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCN1CC ZINC000020967974 212193144 /nfs/dbraw/zinc/19/31/44/212193144.db2.gz BLBYTXSMFDBTFG-OAHLLOKOSA-N 1 1 345.314 4.356 10 0 EIAEMO O=C1CC[C@@H]2C[N@H+](C3CCCCC3)CC[C@@H]2N1CC1CCCCC1 ZINC000020534297 212144581 /nfs/dbraw/zinc/14/45/81/212144581.db2.gz YGHSAQBPEJMKNA-QUCCMNQESA-N 1 1 332.532 4.212 10 0 EIAEMO CC(C)C[C@@H](O)c1ccc2c(c1)C[N@H+](CCc1ccccc1)CCO2 ZINC000011882473 211264275 /nfs/dbraw/zinc/26/42/75/211264275.db2.gz VVVHJUNQTPTRNW-OAQYLSRUSA-N 1 1 339.479 4.203 10 0 EIAEMO COc1ccc2c(c1OC)CC[C@@H]1[C@@H]2CCC[N@H+]1Cc1ccccc1 ZINC000095067802 218271360 /nfs/dbraw/zinc/27/13/60/218271360.db2.gz LIHJSHDMROABRA-UYAOXDASSA-N 1 1 337.463 4.398 10 0 EIAEMO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857080 258001171 /nfs/dbraw/zinc/00/11/71/258001171.db2.gz YASBDTKCNDHYRQ-BDJZZAGISA-N 1 1 346.515 4.445 10 0 EIAEMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000226323648 535327711 /nfs/dbraw/zinc/32/77/11/535327711.db2.gz RBGQUEQGSMFLFC-IYBDPMFKSA-N 1 1 331.504 4.013 10 0 EIAEMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1[C@H](C)CCC[C@H]1C ZINC000226323643 535327866 /nfs/dbraw/zinc/32/78/66/535327866.db2.gz CEIOJRKNTZTLKK-HZPDHXFCSA-N 1 1 331.504 4.298 10 0 EIAEMO CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1nccn1C(F)F ZINC000122107034 1031445986 /nfs/dbraw/zinc/44/59/86/1031445986.db2.gz DYKSIZLJFCESJX-OAHLLOKOSA-N 1 1 335.398 4.405 10 0 EIAEMO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000092788731 1039591855 /nfs/dbraw/zinc/59/18/55/1039591855.db2.gz OASPDQBARVCGQX-CYBMUJFWSA-N 1 1 342.443 4.052 10 0 EIAEMO COc1cc(C[N@H+]2CC=C(c3cccs3)CC2)cc(OC)c1OC ZINC000093533803 1039707655 /nfs/dbraw/zinc/70/76/55/1039707655.db2.gz RXAFMMONHAVBHJ-UHFFFAOYSA-N 1 1 345.464 4.063 10 0 EIAEMO COc1cc(C[N@@H+]2CC=C(c3cccs3)CC2)cc(OC)c1OC ZINC000093533803 1039707683 /nfs/dbraw/zinc/70/76/83/1039707683.db2.gz RXAFMMONHAVBHJ-UHFFFAOYSA-N 1 1 345.464 4.063 10 0 EIAEMO C[N@@H+](CC[C@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000053972553 214207632 /nfs/dbraw/zinc/20/76/32/214207632.db2.gz IKEAIHLJGCKIQV-INIZCTEOSA-N 1 1 326.278 4.137 10 0 EIAEMO CN(CC[C@H]([NH3+])c1ccccc1Br)Cc1cccs1 ZINC000054017618 214210970 /nfs/dbraw/zinc/21/09/70/214210970.db2.gz MVFGSZRLRQERPE-HNNXBMFYSA-N 1 1 339.302 4.033 10 0 EIAEMO CC[C@@H]1CCC(=O)[C@H](C[N@@H+](C)Cc2csc(Br)c2)C1 ZINC000053930169 214204575 /nfs/dbraw/zinc/20/45/75/214204575.db2.gz LFJCKJIMCCCFJE-YPMHNXCESA-N 1 1 344.318 4.338 10 0 EIAEMO CC[C@H]1CCC(=O)[C@H](C[N@@H+](C)Cc2csc(Br)c2)C1 ZINC000053930170 214204992 /nfs/dbraw/zinc/20/49/92/214204992.db2.gz LFJCKJIMCCCFJE-AAEUAGOBSA-N 1 1 344.318 4.338 10 0 EIAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592763 215321015 /nfs/dbraw/zinc/32/10/15/215321015.db2.gz UWLUEWFMYQFHBU-KYHPRHEASA-N 1 1 332.488 4.056 10 0 EIAEMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592893 215321518 /nfs/dbraw/zinc/32/15/18/215321518.db2.gz WJXVFKYBSHGCGK-LISAXSMJSA-N 1 1 332.488 4.199 10 0 EIAEMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000068592995 215321908 /nfs/dbraw/zinc/32/19/08/215321908.db2.gz XQHWJVYZQCZBNX-BVIKNXMNSA-N 1 1 332.488 4.056 10 0 EIAEMO C[C@H](CN[C@@H](C)c1cccc(Br)c1)C[NH+]1CCCCC1 ZINC000038041797 213197402 /nfs/dbraw/zinc/19/74/02/213197402.db2.gz SMOPZWIHSDSSBB-CABCVRRESA-N 1 1 339.321 4.222 10 0 EIAEMO C[C@H](CN[C@H](C)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000038041667 213196976 /nfs/dbraw/zinc/19/69/76/213196976.db2.gz JEHRWOVHVUXDLQ-HUUCEWRRSA-N 1 1 339.321 4.222 10 0 EIAEMO CC[N@H+]1CCC[C@@H]([C@@H](C)Nc2cc(Br)ccc2F)C1 ZINC000036750528 213116477 /nfs/dbraw/zinc/11/64/77/213116477.db2.gz KFSFHEXJFBGHJO-VXGBXAGGSA-N 1 1 329.257 4.121 10 0 EIAEMO C[N@@H+]([C@H](CN)c1cccc(Br)c1)C1CCCCCC1 ZINC000036328220 213084612 /nfs/dbraw/zinc/08/46/12/213084612.db2.gz VMPWSHBRODMRLM-MRXNPFEDSA-N 1 1 325.294 4.104 10 0 EIAEMO CN([C@H](C[NH3+])c1cccc(Br)c1)C1CCCCCC1 ZINC000036328220 213084615 /nfs/dbraw/zinc/08/46/15/213084615.db2.gz VMPWSHBRODMRLM-MRXNPFEDSA-N 1 1 325.294 4.104 10 0 EIAEMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)Cc2ccccc2)o1 ZINC000036097667 213064914 /nfs/dbraw/zinc/06/49/14/213064914.db2.gz BIKRCILPWUXMHZ-NRFANRHFSA-N 1 1 335.447 4.194 10 0 EIAEMO C[NH2+][C@@H](c1ccc(F)cc1F)c1ccc(F)cc1Br ZINC000035492110 213032806 /nfs/dbraw/zinc/03/28/06/213032806.db2.gz XKSLBHHUXUQPDL-CQSZACIVSA-N 1 1 330.147 4.175 10 0 EIAEMO O=C(NCC1CC1)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000034733777 212984380 /nfs/dbraw/zinc/98/43/80/212984380.db2.gz YMOSAYYMOZAAQK-FCHUYYIVSA-N 1 1 348.490 4.166 10 0 EIAEMO Fc1ccc(Br)c(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000038039017 213195827 /nfs/dbraw/zinc/19/58/27/213195827.db2.gz OKMRVAJGBQAIFE-OAHLLOKOSA-N 1 1 336.204 4.202 10 0 EIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000022936774 212337212 /nfs/dbraw/zinc/33/72/12/212337212.db2.gz MXRDXGZCYUATPP-OAQYLSRUSA-N 1 1 338.495 4.148 10 0 EIAEMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000022936774 212337215 /nfs/dbraw/zinc/33/72/15/212337215.db2.gz MXRDXGZCYUATPP-OAQYLSRUSA-N 1 1 338.495 4.148 10 0 EIAEMO CCc1cc2c(ncnc2NCC[N@H+](CC)Cc2ccccc2)s1 ZINC000021651697 212237058 /nfs/dbraw/zinc/23/70/58/212237058.db2.gz QSYPZBWUQBHLFI-UHFFFAOYSA-N 1 1 340.496 4.188 10 0 EIAEMO CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1 ZINC000020930083 212190045 /nfs/dbraw/zinc/19/00/45/212190045.db2.gz KSDWZTMCZMHRKH-UHFFFAOYSA-N 1 1 325.239 4.467 10 0 EIAEMO Cc1ccc(COc2ccc3ccccc3c2CNCC[NH+](C)C)cc1 ZINC000020874246 212180745 /nfs/dbraw/zinc/18/07/45/212180745.db2.gz SLDGWZWJTICFCR-UHFFFAOYSA-N 1 1 348.490 4.378 10 0 EIAEMO CC[N@@H+]([C@@H](CN)c1cc(Br)cs1)C1CCCCC1 ZINC000020475224 212135574 /nfs/dbraw/zinc/13/55/74/212135574.db2.gz ODMPAWBUNVLZLT-ZDUSSCGKSA-N 1 1 331.323 4.165 10 0 EIAEMO CCN([C@@H](C[NH3+])c1cc(Br)cs1)C1CCCCC1 ZINC000020475224 212135575 /nfs/dbraw/zinc/13/55/75/212135575.db2.gz ODMPAWBUNVLZLT-ZDUSSCGKSA-N 1 1 331.323 4.165 10 0 EIAEMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000019913017 212083484 /nfs/dbraw/zinc/08/34/84/212083484.db2.gz NPGIKIARZNYDQY-GJZGRUSLSA-N 1 1 339.321 4.364 10 0 EIAEMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(Br)c1 ZINC000019913017 212083486 /nfs/dbraw/zinc/08/34/86/212083486.db2.gz NPGIKIARZNYDQY-GJZGRUSLSA-N 1 1 339.321 4.364 10 0 EIAEMO C[N@H+]1CCc2cc(Cl)c(O)cc2[C@H](c2cccc3ccoc32)C1 ZINC000006523795 560206111 /nfs/dbraw/zinc/20/61/11/560206111.db2.gz RUSANBIFMAXXSJ-INIZCTEOSA-N 1 1 327.811 4.412 10 0 in-vitro EIAEMO C[N@@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000005748805 563548832 /nfs/dbraw/zinc/54/88/32/563548832.db2.gz CZGMCXMFKOCFDA-HUUUMKQBSA-N 1 1 347.543 4.048 10 0 EIAEMO C[N@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000005748805 563548834 /nfs/dbraw/zinc/54/88/34/563548834.db2.gz CZGMCXMFKOCFDA-HUUUMKQBSA-N 1 1 347.543 4.048 10 0 EIAEMO CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCC[N@H+](C2CCC2)C1 ZINC000012709965 564063520 /nfs/dbraw/zinc/06/35/20/564063520.db2.gz ZYXIAJPEKKTRAD-FTUXVVSKSA-N 1 1 327.468 4.288 10 0 EIAEMO COc1ccc([C@@H]([NH2+][C@@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129115901 1031780728 /nfs/dbraw/zinc/78/07/28/1031780728.db2.gz WDLLXVYJXLLBIW-WMLDXEAASA-N 1 1 347.528 4.028 10 0 EIAEMO CCCCCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000084604530 1038793692 /nfs/dbraw/zinc/79/36/92/1038793692.db2.gz FCFUNEDMFUFLCA-PKOBYXMFSA-N 1 1 345.531 4.015 10 0 EIAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564447 1039715689 /nfs/dbraw/zinc/71/56/89/1039715689.db2.gz CVEIFBLXJBNGGP-DNVCBOLYSA-N 1 1 338.451 4.032 10 0 EIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCNCc1cc(Br)cs1 ZINC000053439273 214182669 /nfs/dbraw/zinc/18/26/69/214182669.db2.gz IAXTWWMMLPLAMS-SWLSCSKDSA-N 1 1 345.350 4.111 10 0 EIAEMO CCCC[N@@H+](CC[C@@H](N)c1cccc(Br)c1)C1CC1 ZINC000053940865 214205235 /nfs/dbraw/zinc/20/52/35/214205235.db2.gz QECNZJVJEWWPOK-MRXNPFEDSA-N 1 1 325.294 4.104 10 0 EIAEMO CC(C)C[N@@H+](CCC(=O)c1ccccc1Br)C(C)C ZINC000054014742 214211224 /nfs/dbraw/zinc/21/12/24/214211224.db2.gz DFJUQUYXMZKLFM-UHFFFAOYSA-N 1 1 326.278 4.388 10 0 EIAEMO COCC[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067654366 215176217 /nfs/dbraw/zinc/17/62/17/215176217.db2.gz ICVYBAQYEJHMMB-UHFFFAOYSA-N 1 1 334.419 4.013 10 0 EIAEMO C[C@@H]1[C@@H](C)[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068593238 215321285 /nfs/dbraw/zinc/32/12/85/215321285.db2.gz ILMMOMVUQUFKMT-LVEJAMMSSA-N 1 1 346.515 4.445 10 0 EIAEMO Cc1ncsc1[C@@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039183 213195667 /nfs/dbraw/zinc/19/56/67/213195667.db2.gz XIPPRLCNDFYYQH-MRVPVSSYSA-N 1 1 329.238 4.204 10 0 EIAEMO C[C@@H](CN[C@@H](C)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000038029098 213193165 /nfs/dbraw/zinc/19/31/65/213193165.db2.gz ILAPQAHIWMCHND-STQMWFEESA-N 1 1 343.284 4.113 10 0 EIAEMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1O ZINC000036348740 213085068 /nfs/dbraw/zinc/08/50/68/213085068.db2.gz FUEMXMKUIIZUMK-JOCHJYFZSA-N 1 1 348.446 4.198 10 0 EIAEMO CC[C@H](C)[N@H+](Cc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036098762 213064881 /nfs/dbraw/zinc/06/48/81/213064881.db2.gz RLGAJLMTBTVSFR-UGKGYDQZSA-N 1 1 341.495 4.173 10 0 EIAEMO CC[NH2+][C@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035509679 213033736 /nfs/dbraw/zinc/03/37/36/213033736.db2.gz KQPNXOYVLSAECJ-CYBMUJFWSA-N 1 1 344.636 4.403 10 0 EIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccc(C)cc1 ZINC000022936738 212338026 /nfs/dbraw/zinc/33/80/26/212338026.db2.gz GVGOBMSFIXOZHW-OAQYLSRUSA-N 1 1 338.495 4.148 10 0 EIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccc(C)cc1 ZINC000022936738 212338028 /nfs/dbraw/zinc/33/80/28/212338028.db2.gz GVGOBMSFIXOZHW-OAQYLSRUSA-N 1 1 338.495 4.148 10 0 EIAEMO Fc1cc(F)cc(-c2n[nH]c3c2C[N@@H+](C/C=C/c2ccco2)CC3)c1 ZINC000020993559 212194900 /nfs/dbraw/zinc/19/49/00/212194900.db2.gz QNQUOCKDCJLWKF-HNQUOIGGSA-N 1 1 341.361 4.019 10 0 EIAEMO CCCOc1ccc2ccccc2c1CNC[C@H]1CCC[N@@H+]1CC ZINC000020968022 212192656 /nfs/dbraw/zinc/19/26/56/212192656.db2.gz PDNNWOGCYYHRDL-GOSISDBHSA-N 1 1 326.484 4.203 10 0 EIAEMO CCCOc1ccc2ccccc2c1CNC[C@H]1CCC[N@H+]1CC ZINC000020968022 212192659 /nfs/dbraw/zinc/19/26/59/212192659.db2.gz PDNNWOGCYYHRDL-GOSISDBHSA-N 1 1 326.484 4.203 10 0 EIAEMO CSc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)cc1 ZINC000012458964 211388248 /nfs/dbraw/zinc/38/82/48/211388248.db2.gz TVJJAACZCCLVIZ-KRWDZBQOSA-N 1 1 346.540 4.326 10 0 EIAEMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000101417716 564129497 /nfs/dbraw/zinc/12/94/97/564129497.db2.gz FWBIWXGKOUKNHP-HPFXQQBRSA-N 1 1 332.488 4.199 10 0 EIAEMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788707 1039592420 /nfs/dbraw/zinc/59/24/20/1039592420.db2.gz MQJNAICYJCDBBQ-MRXNPFEDSA-N 1 1 338.480 4.221 10 0 EIAEMO COc1ccc(C[N@H+]2CC=C(c3cccs3)CC2)c(OC)c1OC ZINC000093533738 1039710779 /nfs/dbraw/zinc/71/07/79/1039710779.db2.gz FJSWEZBAWRSNAQ-UHFFFAOYSA-N 1 1 345.464 4.063 10 0 EIAEMO COc1ccc(C[N@@H+]2CC=C(c3cccs3)CC2)c(OC)c1OC ZINC000093533738 1039710821 /nfs/dbraw/zinc/71/08/21/1039710821.db2.gz FJSWEZBAWRSNAQ-UHFFFAOYSA-N 1 1 345.464 4.063 10 0 EIAEMO CCCN[C@H](CC[N@H+](C)C(C)C)c1cccc(Br)c1 ZINC000053938052 214206559 /nfs/dbraw/zinc/20/65/59/214206559.db2.gz AYFAWOPCWTYNMM-MRXNPFEDSA-N 1 1 327.310 4.220 10 0 EIAEMO CCCN[C@H](CC[N@@H+](C)C(C)C)c1cccc(Br)c1 ZINC000053938052 214206561 /nfs/dbraw/zinc/20/65/61/214206561.db2.gz AYFAWOPCWTYNMM-MRXNPFEDSA-N 1 1 327.310 4.220 10 0 EIAEMO CC[NH2+][C@@H](c1sccc1Br)c1cc(F)ccc1F ZINC000104288090 219370081 /nfs/dbraw/zinc/37/00/81/219370081.db2.gz OBFSINWTEFSVAQ-GFCCVEGCSA-N 1 1 332.213 4.488 10 0 EIAEMO CC[NH2+][C@H](c1sccc1Br)c1cc(F)ccc1F ZINC000104288085 219370246 /nfs/dbraw/zinc/37/02/46/219370246.db2.gz OBFSINWTEFSVAQ-LBPRGKRZSA-N 1 1 332.213 4.488 10 0 EIAEMO CC(C)Nc1[nH+]cnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040708209 213372026 /nfs/dbraw/zinc/37/20/26/213372026.db2.gz CQOHVYJDZFRBFY-UHFFFAOYSA-N 1 1 333.439 4.081 10 0 EIAEMO CC(C)Nc1nc[nH+]c(NC(c2ccccc2)c2ccccc2)c1N ZINC000040708209 213372028 /nfs/dbraw/zinc/37/20/28/213372028.db2.gz CQOHVYJDZFRBFY-UHFFFAOYSA-N 1 1 333.439 4.081 10 0 EIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000035805140 213049615 /nfs/dbraw/zinc/04/96/15/213049615.db2.gz LAXWIRDYMCJDCA-HNNXBMFYSA-N 1 1 332.875 4.482 10 0 EIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000035805140 213049618 /nfs/dbraw/zinc/04/96/18/213049618.db2.gz LAXWIRDYMCJDCA-HNNXBMFYSA-N 1 1 332.875 4.482 10 0 EIAEMO C[NH2+][C@H](c1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000035494758 213032115 /nfs/dbraw/zinc/03/21/15/213032115.db2.gz ZLWSKRZXBOWUKX-CQSZACIVSA-N 1 1 330.147 4.175 10 0 EIAEMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1ccccc1Cn1cccn1 ZINC000063844850 563956057 /nfs/dbraw/zinc/95/60/57/563956057.db2.gz BKZMCKPODQNGQS-SFHVURJKSA-N 1 1 334.467 4.127 10 0 EIAEMO COCCCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000116879697 1030907841 /nfs/dbraw/zinc/90/78/41/1030907841.db2.gz FTCZJOATJWSJGN-GOSISDBHSA-N 1 1 327.472 4.073 10 0 EIAEMO Cc1nc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cs1 ZINC000120823379 1031433394 /nfs/dbraw/zinc/43/33/94/1031433394.db2.gz GBESVJNQZYLJCQ-MRXNPFEDSA-N 1 1 338.480 4.221 10 0 EIAEMO Cc1csc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000127695356 1031703079 /nfs/dbraw/zinc/70/30/79/1031703079.db2.gz QOCYWERFGPLTNG-MRXNPFEDSA-N 1 1 338.480 4.221 10 0 EIAEMO CC(C)[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670069 1039082948 /nfs/dbraw/zinc/08/29/48/1039082948.db2.gz PNLXTLBIDMDAMH-UGSOOPFHSA-N 1 1 325.456 4.484 10 0 EIAEMO CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000092788777 1039593328 /nfs/dbraw/zinc/59/33/28/1039593328.db2.gz TXTSKELHVCNFKW-LBPRGKRZSA-N 1 1 338.908 4.033 10 0 EIAEMO CCC(CC)[N@@H+](C)CC[C@H](NC)c1ccc(Br)cc1 ZINC000053939922 214206138 /nfs/dbraw/zinc/20/61/38/214206138.db2.gz BUISESUCDMGEJS-INIZCTEOSA-N 1 1 327.310 4.220 10 0 EIAEMO CN[C@@H](CC[N@@H+](C)CCC(C)C)c1ccc(Br)cc1 ZINC000053971921 214208102 /nfs/dbraw/zinc/20/81/02/214208102.db2.gz RKHXQODGFPYMOR-INIZCTEOSA-N 1 1 327.310 4.078 10 0 EIAEMO CC[C@H](C)[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)Cc1ccncc1 ZINC000055369446 214313322 /nfs/dbraw/zinc/31/33/22/214313322.db2.gz UKXGTDBVQCHDTC-HNNXBMFYSA-N 1 1 328.504 4.451 10 0 EIAEMO CCCC[N@@H+]([C@H](C)CC)[C@@H](CN)c1ccc(Br)cc1 ZINC000103933462 219330483 /nfs/dbraw/zinc/33/04/83/219330483.db2.gz YHHLAEHTMQFEGR-CJNGLKHVSA-N 1 1 327.310 4.350 10 0 EIAEMO C[C@@H]1[C@@H](C)[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000068593225 215322251 /nfs/dbraw/zinc/32/22/51/215322251.db2.gz QBFXTPLFVTYROG-LISAXSMJSA-N 1 1 332.488 4.056 10 0 EIAEMO C[C@@H]1[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000068593231 215321241 /nfs/dbraw/zinc/32/12/41/215321241.db2.gz QBFXTPLFVTYROG-BVIKNXMNSA-N 1 1 332.488 4.056 10 0 EIAEMO CCC[NH2+][C@H](c1nccn1CCC)c1sccc1Br ZINC000104300306 219371351 /nfs/dbraw/zinc/37/13/51/219371351.db2.gz OAXPXNAGLLRXOG-LBPRGKRZSA-N 1 1 342.306 4.206 10 0 EIAEMO C[C@@H](c1cccc(Br)c1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032499 213193951 /nfs/dbraw/zinc/19/39/51/213193951.db2.gz XMZDAXDMLNRSPP-LBPRGKRZSA-N 1 1 331.257 4.151 10 0 EIAEMO C[C@@H](c1cccc(Br)c1)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032499 213193955 /nfs/dbraw/zinc/19/39/55/213193955.db2.gz XMZDAXDMLNRSPP-LBPRGKRZSA-N 1 1 331.257 4.151 10 0 EIAEMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1ccc(Br)cc1Cl)C2 ZINC000037392113 213143679 /nfs/dbraw/zinc/14/36/79/213143679.db2.gz GXKTZHHKOPLDCG-YOGCLGLASA-N 1 1 329.669 4.140 10 0 EIAEMO CC[NH2+][C@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035509675 213034227 /nfs/dbraw/zinc/03/42/27/213034227.db2.gz QVWIAVDSKAMRET-ZDUSSCGKSA-N 1 1 344.636 4.403 10 0 EIAEMO C[N@@H+]([C@@H](CN)c1ccc(Br)s1)C1CCCCCC1 ZINC000036328268 213084296 /nfs/dbraw/zinc/08/42/96/213084296.db2.gz UKGCRYVHHWNNQX-LBPRGKRZSA-N 1 1 331.323 4.165 10 0 EIAEMO CN([C@@H](C[NH3+])c1ccc(Br)s1)C1CCCCCC1 ZINC000036328268 213084299 /nfs/dbraw/zinc/08/42/99/213084299.db2.gz UKGCRYVHHWNNQX-LBPRGKRZSA-N 1 1 331.323 4.165 10 0 EIAEMO CSc1ccc2c(c1)[C@H]([NH+]1CCN(C)CC1)Cc1ccccc1O2 ZINC000022041707 212272392 /nfs/dbraw/zinc/27/23/92/212272392.db2.gz RGHAMXHLLRFJMA-GOSISDBHSA-N 1 1 340.492 4.045 10 0 EIAEMO C[N@@H+]1C[C@@H](c2ccccc2)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000255975941 244054040 /nfs/dbraw/zinc/05/40/40/244054040.db2.gz HDDWJXJLZCWVBF-DLBZAZTESA-N 1 1 333.353 4.087 10 0 EIAEMO C[N@H+]1C[C@@H](c2ccccc2)C(=O)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000255975941 244054045 /nfs/dbraw/zinc/05/40/45/244054045.db2.gz HDDWJXJLZCWVBF-DLBZAZTESA-N 1 1 333.353 4.087 10 0 EIAEMO COc1ccc2oc([C@@H]([NH3+])c3ccc(Br)cc3)cc2c1 ZINC000020389630 212124242 /nfs/dbraw/zinc/12/42/42/212124242.db2.gz WHUOPIZJTYCVGC-INIZCTEOSA-N 1 1 332.197 4.252 10 0 EIAEMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000019913009 212084123 /nfs/dbraw/zinc/08/41/23/212084123.db2.gz VWYMBUJFRVNUMG-GJZGRUSLSA-N 1 1 339.321 4.364 10 0 EIAEMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(Br)cc1 ZINC000019913009 212084125 /nfs/dbraw/zinc/08/41/25/212084125.db2.gz VWYMBUJFRVNUMG-GJZGRUSLSA-N 1 1 339.321 4.364 10 0 EIAEMO CCC[N@@H+](CCc1cccs1)C1Cc2cc(OC)c(OC)cc2C1 ZINC000013471417 211562343 /nfs/dbraw/zinc/56/23/43/211562343.db2.gz ZWNDDIIOXZXGCK-UHFFFAOYSA-N 1 1 345.508 4.187 10 0 EIAEMO CCC[C@H](O)C[N@H+](Cc1cccn1Cc1ccccc1)CC(C)C ZINC000004955132 210339004 /nfs/dbraw/zinc/33/90/04/210339004.db2.gz AMYXFPHABMZQPE-NRFANRHFSA-N 1 1 328.500 4.155 10 0 EIAEMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238856127 258001129 /nfs/dbraw/zinc/00/11/29/258001129.db2.gz UWLUEWFMYQFHBU-YFHUEUNASA-N 1 1 332.488 4.056 10 0 EIAEMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238853138 258001226 /nfs/dbraw/zinc/00/12/26/258001226.db2.gz ILMMOMVUQUFKMT-CNMWIUBYSA-N 1 1 346.515 4.445 10 0 EIAEMO Cc1ccc(CSc2nnc([C@H]([NH3+])Cc3ccccc3)o2)cc1C ZINC000040173889 258003773 /nfs/dbraw/zinc/00/37/73/258003773.db2.gz LHJGWDUJNPWUQX-QGZVFWFLSA-N 1 1 339.464 4.221 10 0 EIAEMO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1ccccc1Br ZINC000037276882 525481517 /nfs/dbraw/zinc/48/15/17/525481517.db2.gz HPNTUHFNGHEUAU-LBPRGKRZSA-N 1 1 336.277 4.251 10 0 EIAEMO COc1ccc(Br)c(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000087788135 1022146764 /nfs/dbraw/zinc/14/67/64/1022146764.db2.gz VICPRIZOCTVFSZ-INIZCTEOSA-N 1 1 348.240 4.071 10 0 EIAEMO CCC[N@@H+](CC[C@@H](NC)c1ccc(Br)cc1)C(C)C ZINC000053939481 214205703 /nfs/dbraw/zinc/20/57/03/214205703.db2.gz GVIMAIQAZWWHBS-MRXNPFEDSA-N 1 1 327.310 4.220 10 0 EIAEMO CCCN[C@H](CC[NH+](CC)CC)c1cccc(Br)c1 ZINC000053937545 214206185 /nfs/dbraw/zinc/20/61/85/214206185.db2.gz NDLZQEPNPKGYSB-MRXNPFEDSA-N 1 1 327.310 4.222 10 0 EIAEMO CC(C)C[C@H](C)[N@@H+](C)CCC(=O)c1cccc(Br)c1 ZINC000104011658 219339542 /nfs/dbraw/zinc/33/95/42/219339542.db2.gz SVBPUDODTACGGN-ZDUSSCGKSA-N 1 1 326.278 4.388 10 0 EIAEMO C[C@H](CN[C@@H](C)c1ccc(Br)cc1)C[NH+]1CCCCC1 ZINC000038041665 213197473 /nfs/dbraw/zinc/19/74/73/213197473.db2.gz JEHRWOVHVUXDLQ-CABCVRRESA-N 1 1 339.321 4.222 10 0 EIAEMO CC(C)CC[N@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1 ZINC000036031413 213056867 /nfs/dbraw/zinc/05/68/67/213056867.db2.gz RPXWCILOTCASNB-GOSISDBHSA-N 1 1 333.497 4.036 10 0 EIAEMO CC[NH2+][C@@H](c1ccco1)c1cc(Cl)cc(Br)c1OC ZINC000035509673 213033546 /nfs/dbraw/zinc/03/35/46/213033546.db2.gz QVWIAVDSKAMRET-CYBMUJFWSA-N 1 1 344.636 4.403 10 0 EIAEMO CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1F ZINC000035581889 213039161 /nfs/dbraw/zinc/03/91/61/213039161.db2.gz CIVLANVXJFVTCF-CQSZACIVSA-N 1 1 330.172 4.409 10 0 EIAEMO CCCOc1c(Cl)cc(C[NH2+]Cc2ccccn2)cc1Cl ZINC000020926562 212188012 /nfs/dbraw/zinc/18/80/12/212188012.db2.gz HNTGEOFZLFBHPH-UHFFFAOYSA-N 1 1 325.239 4.467 10 0 EIAEMO CCN(CC)CC[NH2+]Cc1ccccc1OCc1ccc(C)cc1 ZINC000020873665 212179748 /nfs/dbraw/zinc/17/97/48/212179748.db2.gz BRPJEKXPYFOVDC-UHFFFAOYSA-N 1 1 326.484 4.005 10 0 EIAEMO C[C@@H]1[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238854999 258001140 /nfs/dbraw/zinc/00/11/40/258001140.db2.gz QBFXTPLFVTYROG-MUQADHOPSA-N 1 1 332.488 4.056 10 0 EIAEMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238856908 258001152 /nfs/dbraw/zinc/00/11/52/258001152.db2.gz XQHWJVYZQCZBNX-KONPQCLYSA-N 1 1 332.488 4.056 10 0 EIAEMO COc1ccc([C@@H]([NH2+][C@H](C)CSC(C)(C)C)c2nccn2C)cc1 ZINC000129116126 1031778777 /nfs/dbraw/zinc/77/87/77/1031778777.db2.gz WDLLXVYJXLLBIW-RHSMWYFYSA-N 1 1 347.528 4.028 10 0 EIAEMO Cc1cccnc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093193453 1039642223 /nfs/dbraw/zinc/64/22/23/1039642223.db2.gz IRZDLWQSLXPKML-GOSISDBHSA-N 1 1 332.451 4.160 10 0 EIAEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564446 1039718079 /nfs/dbraw/zinc/71/80/79/1039718079.db2.gz CVEIFBLXJBNGGP-KXBFYZLASA-N 1 1 338.451 4.032 10 0 EIAEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000076389473 1045893067 /nfs/dbraw/zinc/89/30/67/1045893067.db2.gz KKWHJZDLIDEENK-CRAIPNDOSA-N 1 1 349.434 4.123 10 0 EIAEMO CC[N@@H+](CC[C@H](NC)c1ccc(Br)cc1)CC(C)C ZINC000053938904 214205385 /nfs/dbraw/zinc/20/53/85/214205385.db2.gz VYUQUQIOTFYBCT-INIZCTEOSA-N 1 1 327.310 4.078 10 0 EIAEMO CCN[C@@H](CC[N@@H+](C)[C@@H](C)CC)c1cccc(Br)c1 ZINC000053938810 214205506 /nfs/dbraw/zinc/20/55/06/214205506.db2.gz ZKHKQNALZCHBAM-BBRMVZONSA-N 1 1 327.310 4.220 10 0 EIAEMO CCCC[N@@H+](CC)CC[C@@H](NC)c1ccc(Br)cc1 ZINC000053938316 214206032 /nfs/dbraw/zinc/20/60/32/214206032.db2.gz BACNPGCZUJPZBL-MRXNPFEDSA-N 1 1 327.310 4.222 10 0 EIAEMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592732 215322019 /nfs/dbraw/zinc/32/20/19/215322019.db2.gz ORBLPFKGRVVFDQ-DFGXFYAUSA-N 1 1 332.488 4.199 10 0 EIAEMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592890 215322075 /nfs/dbraw/zinc/32/20/75/215322075.db2.gz WJXVFKYBSHGCGK-KYHPRHEASA-N 1 1 332.488 4.199 10 0 EIAEMO Nc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH+]c1NC1CCCCC1 ZINC000040708498 213371983 /nfs/dbraw/zinc/37/19/83/213371983.db2.gz FRNKVQZLTMFPQN-UHFFFAOYSA-N 1 1 341.503 4.184 10 0 EIAEMO Nc1c(NC2CCCCC2)nc[nH+]c1NC12CC3CC(CC(C3)C1)C2 ZINC000040708498 213371985 /nfs/dbraw/zinc/37/19/85/213371985.db2.gz FRNKVQZLTMFPQN-UHFFFAOYSA-N 1 1 341.503 4.184 10 0 EIAEMO Cc1nccc(C[NH2+][C@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000038037348 213195313 /nfs/dbraw/zinc/19/53/13/213195313.db2.gz UTHYRCZEFJHMPF-SNVBAGLBSA-N 1 1 346.228 4.145 10 0 EIAEMO C[C@H](CN[C@@H](C)c1ccc(F)c(Br)c1)[NH+]1CCCCC1 ZINC000038029099 213192872 /nfs/dbraw/zinc/19/28/72/213192872.db2.gz ILAPQAHIWMCHND-OLZOCXBDSA-N 1 1 343.284 4.113 10 0 EIAEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(Cl)cccc2Cl)o1 ZINC000037976267 213179179 /nfs/dbraw/zinc/17/91/79/213179179.db2.gz HWHBPEMRPZFNEH-SNVBAGLBSA-N 1 1 327.211 4.184 10 0 EIAEMO Nc1[nH+]c2cccc(Cl)c2n1-c1ccc(Br)cc1F ZINC000036899645 213126263 /nfs/dbraw/zinc/12/62/63/213126263.db2.gz JJJRMPIAWYHBHO-UHFFFAOYSA-N 1 1 340.583 4.163 10 0 EIAEMO C[NH2+][C@H](c1ccc(F)c(F)c1)c1cc(F)ccc1Br ZINC000035494715 213032716 /nfs/dbraw/zinc/03/27/16/213032716.db2.gz ZBQPJHWBDSMXJB-CQSZACIVSA-N 1 1 330.147 4.175 10 0 EIAEMO Cc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1 ZINC000021639748 212236183 /nfs/dbraw/zinc/23/61/83/212236183.db2.gz AIYOMKJFOLALQN-UHFFFAOYSA-N 1 1 348.425 4.226 10 0 EIAEMO Cc1ccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4)ncc3C2)cc1 ZINC000021639748 212236185 /nfs/dbraw/zinc/23/61/85/212236185.db2.gz AIYOMKJFOLALQN-UHFFFAOYSA-N 1 1 348.425 4.226 10 0 EIAEMO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857081 258001187 /nfs/dbraw/zinc/00/11/87/258001187.db2.gz YASBDTKCNDHYRQ-CNMWIUBYSA-N 1 1 346.515 4.445 10 0 EIAEMO Cc1cc(C[N@@H+]2CCC[C@H](C)C2)c(C)cc1I ZINC000675075909 564113307 /nfs/dbraw/zinc/11/33/07/564113307.db2.gz WVPIDWLBXDORQJ-NSHDSACASA-N 1 1 343.252 4.140 10 0 EIAEMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788453 1039589943 /nfs/dbraw/zinc/58/99/43/1039589943.db2.gz OKQJQQBKXBSIDC-INIZCTEOSA-N 1 1 338.480 4.221 10 0 EIAEMO CC[N@H+]1CC[C@H](N(C)Cc2ncc(-c3ccccc3Cl)o2)[C@H](C)C1 ZINC000081095982 1046907783 /nfs/dbraw/zinc/90/77/83/1046907783.db2.gz ONHTXPWKARMFOC-PBHICJAKSA-N 1 1 347.890 4.157 10 0 EIAEMO CCC[N@@H+](CC[C@H](NC)c1ccc(Br)cc1)C(C)C ZINC000053939480 214205517 /nfs/dbraw/zinc/20/55/17/214205517.db2.gz GVIMAIQAZWWHBS-INIZCTEOSA-N 1 1 327.310 4.220 10 0 EIAEMO CCN[C@H](CC[N@@H+](C)CC(C)C)c1cccc(Br)c1 ZINC000053939395 214206534 /nfs/dbraw/zinc/20/65/34/214206534.db2.gz FGXAVPNEGTWABL-MRXNPFEDSA-N 1 1 327.310 4.078 10 0 EIAEMO CCCC[N@@H+](CC[C@@H](O)c1cccc(Br)c1)C1CC1 ZINC000053973238 214209409 /nfs/dbraw/zinc/20/94/09/214209409.db2.gz KVGJNRLQJFUYSU-MRXNPFEDSA-N 1 1 326.278 4.137 10 0 EIAEMO CC(C)CC[N@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1 ZINC000036031411 213056562 /nfs/dbraw/zinc/05/65/62/213056562.db2.gz RPXWCILOTCASNB-SFHVURJKSA-N 1 1 333.497 4.036 10 0 EIAEMO C[NH2+][C@H](c1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000035468813 213030913 /nfs/dbraw/zinc/03/09/13/213030913.db2.gz RUJFRKHZGRICSB-CQSZACIVSA-N 1 1 330.147 4.175 10 0 EIAEMO C[NH2+][C@@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035457945 213030245 /nfs/dbraw/zinc/03/02/45/213030245.db2.gz TXXFDVCNIYPMJI-LBPRGKRZSA-N 1 1 330.609 4.013 10 0 EIAEMO Fc1ccccc1[C@H]1C[N@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000019608595 212051293 /nfs/dbraw/zinc/05/12/93/212051293.db2.gz NLXUQVAFBSAJNJ-OAQYLSRUSA-N 1 1 334.394 4.357 10 0 EIAEMO Fc1ccccc1[C@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000019608595 212051294 /nfs/dbraw/zinc/05/12/94/212051294.db2.gz NLXUQVAFBSAJNJ-OAQYLSRUSA-N 1 1 334.394 4.357 10 0 EIAEMO CCN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000242687341 258000576 /nfs/dbraw/zinc/00/05/76/258000576.db2.gz UFYNNBDNSGGGEQ-AEFFLSMTSA-N 1 1 332.488 4.154 10 0 EIAEMO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857083 258001143 /nfs/dbraw/zinc/00/11/43/258001143.db2.gz YASBDTKCNDHYRQ-NVWPSHKXSA-N 1 1 346.515 4.445 10 0 EIAEMO CCn1cc(C[N@H+]2CC[C@H](c3ccnc(-c4ccc(C)cc4)c3)C2)cn1 ZINC000065387864 563959423 /nfs/dbraw/zinc/95/94/23/563959423.db2.gz LTVBDDSRNMYSKM-NRFANRHFSA-N 1 1 346.478 4.263 10 0 EIAEMO Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)o1 ZINC000015069550 564053265 /nfs/dbraw/zinc/05/32/65/564053265.db2.gz GLUREBCEEZOVJN-MRXNPFEDSA-N 1 1 339.414 4.497 10 0 EIAEMO c1csc(Cn2cccc2C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788494 1039591142 /nfs/dbraw/zinc/59/11/42/1039591142.db2.gz UGMFNNGYRJXRIG-OAHLLOKOSA-N 1 1 343.521 4.434 10 0 EIAEMO c1csc(Cn2cccc2C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000092788493 1039592036 /nfs/dbraw/zinc/59/20/36/1039592036.db2.gz UGMFNNGYRJXRIG-HNNXBMFYSA-N 1 1 343.521 4.434 10 0 EIAEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564445 1039717169 /nfs/dbraw/zinc/71/71/69/1039717169.db2.gz CVEIFBLXJBNGGP-BEFAXECRSA-N 1 1 338.451 4.032 10 0 EIAEMO COc1ccc([C@@H]2C[C@H](C)[N@H+]([C@@H](C)c3nc(C(C)C)no3)C2)cc1 ZINC000076391768 1045893143 /nfs/dbraw/zinc/89/31/43/1045893143.db2.gz QAWNFGHWIQMSAW-OFQRWUPVSA-N 1 1 329.444 4.141 10 0 EIAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)cc1 ZINC000076389476 1045893951 /nfs/dbraw/zinc/89/39/51/1045893951.db2.gz KKWHJZDLIDEENK-MAUKXSAKSA-N 1 1 349.434 4.123 10 0 EIAEMO CCN[C@H](CC[N@@H+](CC)C(C)C)c1cccc(Br)c1 ZINC000053939210 214206799 /nfs/dbraw/zinc/20/67/99/214206799.db2.gz HOTGIIZGWSXTOO-MRXNPFEDSA-N 1 1 327.310 4.220 10 0 EIAEMO CC(C)C[N@@H+](CC[C@H](N)c1cccc(Br)c1)C(C)C ZINC000053971877 214208258 /nfs/dbraw/zinc/20/82/58/214208258.db2.gz KIPBPTPSHBEOSA-INIZCTEOSA-N 1 1 327.310 4.205 10 0 EIAEMO CC[C@@H]1CCCC[N@H+]1CC[C@H](O)c1cccc(Br)c1 ZINC000053972683 214208548 /nfs/dbraw/zinc/20/85/48/214208548.db2.gz YUQSIPRHZICDMD-CVEARBPZSA-N 1 1 326.278 4.137 10 0 EIAEMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1cnc2ccccc2c1 ZINC000055392899 214316432 /nfs/dbraw/zinc/31/64/32/214316432.db2.gz VEWBOEWLHCTDNP-SFHVURJKSA-N 1 1 326.465 4.069 10 0 EIAEMO CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1ccc(OC)c(COC)c1 ZINC000055575261 214330516 /nfs/dbraw/zinc/33/05/16/214330516.db2.gz RJOYMHDBFHNNEG-INIZCTEOSA-N 1 1 328.456 4.037 10 0 EIAEMO CCCC(CN)(CCC)[N@H+](C)Cc1ccc(Br)cc1 ZINC000103983004 219336068 /nfs/dbraw/zinc/33/60/68/219336068.db2.gz KCLZQUPQCKGBBB-UHFFFAOYSA-N 1 1 327.310 4.179 10 0 EIAEMO CCCC(CN)(CCC)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000103983004 219336069 /nfs/dbraw/zinc/33/60/69/219336069.db2.gz KCLZQUPQCKGBBB-UHFFFAOYSA-N 1 1 327.310 4.179 10 0 EIAEMO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000068592765 215321500 /nfs/dbraw/zinc/32/15/00/215321500.db2.gz UWLUEWFMYQFHBU-LISAXSMJSA-N 1 1 332.488 4.056 10 0 EIAEMO CCCC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000038884856 213229620 /nfs/dbraw/zinc/22/96/20/213229620.db2.gz CAZKCKFKFDXMBY-SFHVURJKSA-N 1 1 332.488 4.298 10 0 EIAEMO CCCC[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000038884856 213229616 /nfs/dbraw/zinc/22/96/16/213229616.db2.gz CAZKCKFKFDXMBY-SFHVURJKSA-N 1 1 332.488 4.298 10 0 EIAEMO Cc1nccc(C[NH2+][C@@H](C)c2cc3cc(Br)ccc3o2)n1 ZINC000038037347 213195475 /nfs/dbraw/zinc/19/54/75/213195475.db2.gz UTHYRCZEFJHMPF-JTQLQIEISA-N 1 1 346.228 4.145 10 0 EIAEMO CC[NH2+][C@@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035509677 213033685 /nfs/dbraw/zinc/03/36/85/213033685.db2.gz KQPNXOYVLSAECJ-ZDUSSCGKSA-N 1 1 344.636 4.403 10 0 EIAEMO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccc(F)cc1Br ZINC000035494755 213031925 /nfs/dbraw/zinc/03/19/25/213031925.db2.gz ZLWSKRZXBOWUKX-AWEZNQCLSA-N 1 1 330.147 4.175 10 0 EIAEMO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000022936776 212337738 /nfs/dbraw/zinc/33/77/38/212337738.db2.gz MXRDXGZCYUATPP-NRFANRHFSA-N 1 1 338.495 4.148 10 0 EIAEMO CC[N@H+]1CCC[C@H]1CNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000022936776 212337740 /nfs/dbraw/zinc/33/77/40/212337740.db2.gz MXRDXGZCYUATPP-NRFANRHFSA-N 1 1 338.495 4.148 10 0 EIAEMO CSc1ccc2c(c1)[C@@H]([NH+]1CCN(C)CC1)Cc1ccccc1O2 ZINC000022041705 212272786 /nfs/dbraw/zinc/27/27/86/212272786.db2.gz RGHAMXHLLRFJMA-SFHVURJKSA-N 1 1 340.492 4.045 10 0 EIAEMO CC(C)N(CC[NH2+][C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000019901001 212081222 /nfs/dbraw/zinc/08/12/22/212081222.db2.gz WFOSFPYUZASILN-AWEZNQCLSA-N 1 1 327.310 4.219 10 0 EIAEMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238852417 258001158 /nfs/dbraw/zinc/00/11/58/258001158.db2.gz FWBIWXGKOUKNHP-CVYDXHPNSA-N 1 1 332.488 4.199 10 0 EIAEMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C[C@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000238854648 258001162 /nfs/dbraw/zinc/00/11/62/258001162.db2.gz ORBLPFKGRVVFDQ-NBOOPKSLSA-N 1 1 332.488 4.199 10 0 EIAEMO CCOc1ccc(NC(=O)N2CCC([N@@H+](C)CCC(C)C)CC2)cc1 ZINC000000261544 563989686 /nfs/dbraw/zinc/98/96/86/563989686.db2.gz ICMVRLRSJIETDK-UHFFFAOYSA-N 1 1 347.503 4.060 10 0 EIAEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3NC(C)=O)C2)cc1 ZINC000093564448 1039716759 /nfs/dbraw/zinc/71/67/59/1039716759.db2.gz CVEIFBLXJBNGGP-HNAYVOBHSA-N 1 1 338.451 4.032 10 0 EIAEMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NCc3nc(C(C)(C)C)no3)c2C1 ZINC000075825981 1045850561 /nfs/dbraw/zinc/85/05/61/1045850561.db2.gz MXYCRHVVPDRLKI-CQSZACIVSA-N 1 1 342.487 4.339 10 0 EIAEMO CC(C)[C@H](C)[N@H+]1Cc2cccc(NCc3nc(C(C)(C)C)no3)c2C1 ZINC000075825983 1045851344 /nfs/dbraw/zinc/85/13/44/1045851344.db2.gz MXYCRHVVPDRLKI-AWEZNQCLSA-N 1 1 342.487 4.339 10 0 EIAEMO CC(C)CN(CC(C)C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042291315 213491106 /nfs/dbraw/zinc/49/11/06/213491106.db2.gz VLGQTSKVONBTLT-GFCCVEGCSA-N 1 1 333.339 4.124 10 0 EIAEMO CC(C)C[C@@H](C)[N@@H+](C)CCC(=O)c1cccc(Br)c1 ZINC000104011654 219339533 /nfs/dbraw/zinc/33/95/33/219339533.db2.gz SVBPUDODTACGGN-CYBMUJFWSA-N 1 1 326.278 4.388 10 0 EIAEMO Cc1ccc(-n2c(N)[nH+]c3cc(Cl)ccc32)cc1Br ZINC000104166683 219354952 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ZINC000104010972 219338756 /nfs/dbraw/zinc/33/87/56/219338756.db2.gz COHAHOIYQLAXQX-UHFFFAOYSA-N 1 1 325.294 4.373 10 0 EIAEMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOc1cccc(Br)c1 ZINC000103973469 219335472 /nfs/dbraw/zinc/33/54/72/219335472.db2.gz KVVYBHARXFPSLB-BBRMVZONSA-N 1 1 326.278 4.338 10 0 EIAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592734 215321464 /nfs/dbraw/zinc/32/14/64/215321464.db2.gz ORBLPFKGRVVFDQ-XLMAVXFVSA-N 1 1 332.488 4.199 10 0 EIAEMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc(F)c(Br)c1 ZINC000038029100 213192232 /nfs/dbraw/zinc/19/22/32/213192232.db2.gz ILAPQAHIWMCHND-QWHCGFSZSA-N 1 1 343.284 4.113 10 0 EIAEMO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000038013670 213189836 /nfs/dbraw/zinc/18/98/36/213189836.db2.gz URQYCELVWFTEAG-UWVGGRQHSA-N 1 1 335.250 4.088 10 0 EIAEMO Nc1[nH+]c2cc(Cl)ccc2n1-c1ccc(Br)cc1F ZINC000036890054 213126444 /nfs/dbraw/zinc/12/64/44/213126444.db2.gz GCQFRCCAALOCTJ-UHFFFAOYSA-N 1 1 340.583 4.163 10 0 EIAEMO CCN(CC)CC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000019919552 212083666 /nfs/dbraw/zinc/08/36/66/212083666.db2.gz ORSOSLZAMAJYMM-GFCCVEGCSA-N 1 1 339.277 4.188 10 0 EIAEMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)n1c2ccccc2nc1C(C)=O ZINC000095089598 218279438 /nfs/dbraw/zinc/27/94/38/218279438.db2.gz JPDXCPKRVAVSDA-SFHVURJKSA-N 1 1 335.451 4.322 10 0 EIAEMO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000238857082 258001233 /nfs/dbraw/zinc/00/12/33/258001233.db2.gz YASBDTKCNDHYRQ-MUDKKEKZSA-N 1 1 346.515 4.445 10 0 EIAEMO C[N@@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000005748798 563548806 /nfs/dbraw/zinc/54/88/06/563548806.db2.gz CZGMCXMFKOCFDA-IMHAECHTSA-N 1 1 347.543 4.048 10 0 EIAEMO C[N@H+]1CCO[C@]12CC[C@@H]1[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000005748798 563548808 /nfs/dbraw/zinc/54/88/08/563548808.db2.gz CZGMCXMFKOCFDA-IMHAECHTSA-N 1 1 347.543 4.048 10 0 EIAEMO Cc1ncccc1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387302 1039691063 /nfs/dbraw/zinc/69/10/63/1039691063.db2.gz MCIBVENXKIOPGT-IBGZPJMESA-N 1 1 332.451 4.160 10 0 EIAEMO C[N@@H+](CC[C@H](N)c1cccc(Br)c1)C1CCCCC1 ZINC000053938396 214205692 /nfs/dbraw/zinc/20/56/92/214205692.db2.gz RHHZUXSZASDARE-INIZCTEOSA-N 1 1 325.294 4.104 10 0 EIAEMO C[C@H]([N@@H+](C)CCC(=O)c1cccc(Br)c1)C(C)(C)C ZINC000053935736 214205813 /nfs/dbraw/zinc/20/58/13/214205813.db2.gz PGQHSRVUFFVPFZ-LBPRGKRZSA-N 1 1 326.278 4.388 10 0 EIAEMO CCCCC[N@@H+](C)CC[C@@H](NC)c1ccc(Br)cc1 ZINC000053939585 214206375 /nfs/dbraw/zinc/20/63/75/214206375.db2.gz UQUCKGBWPNAWBH-MRXNPFEDSA-N 1 1 327.310 4.222 10 0 EIAEMO C[N@H+]1[C@@H](C[C@@H](O)c2ccccc2)CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000004098588 210119306 /nfs/dbraw/zinc/11/93/06/210119306.db2.gz OWGJQNXIWMMDTH-COPRSSIGSA-N 1 1 339.479 4.087 10 0 biogenic,in-vitro EIAEMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1NC(=O)OC(C)(C)C ZINC000068592895 215321148 /nfs/dbraw/zinc/32/11/48/215321148.db2.gz WJXVFKYBSHGCGK-YFHUEUNASA-N 1 1 332.488 4.199 10 0 EIAEMO C[NH2+][C@H](c1sccc1Br)c1c(F)cc(F)cc1F ZINC000104302276 219372875 /nfs/dbraw/zinc/37/28/75/219372875.db2.gz SQROLRCYTWAKAX-NSHDSACASA-N 1 1 336.176 4.237 10 0 EIAEMO [NH3+][C@@H]1c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000037052095 213131529 /nfs/dbraw/zinc/13/15/29/213131529.db2.gz SRXXPCSBFNPHPQ-CQSZACIVSA-N 1 1 341.625 4.193 10 0 EIAEMO C[N@@H+]([C@H](CN)c1ccc(Br)s1)C1CCCCCC1 ZINC000036328269 213084829 /nfs/dbraw/zinc/08/48/29/213084829.db2.gz UKGCRYVHHWNNQX-GFCCVEGCSA-N 1 1 331.323 4.165 10 0 EIAEMO CN([C@H](C[NH3+])c1ccc(Br)s1)C1CCCCCC1 ZINC000036328269 213084831 /nfs/dbraw/zinc/08/48/31/213084831.db2.gz UKGCRYVHHWNNQX-GFCCVEGCSA-N 1 1 331.323 4.165 10 0 EIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000035805150 213048515 /nfs/dbraw/zinc/04/85/15/213048515.db2.gz GWBPRTSJFOIQQW-CQSZACIVSA-N 1 1 336.838 4.313 10 0 EIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000035805150 213048519 /nfs/dbraw/zinc/04/85/19/213048519.db2.gz GWBPRTSJFOIQQW-CQSZACIVSA-N 1 1 336.838 4.313 10 0 EIAEMO CCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1F ZINC000035581888 213038597 /nfs/dbraw/zinc/03/85/97/213038597.db2.gz CIVLANVXJFVTCF-AWEZNQCLSA-N 1 1 330.172 4.409 10 0 EIAEMO C[NH2+][C@H](c1ccc(F)cc1F)c1ccc(F)cc1Br ZINC000035492113 213032879 /nfs/dbraw/zinc/03/28/79/213032879.db2.gz XKSLBHHUXUQPDL-AWEZNQCLSA-N 1 1 330.147 4.175 10 0 EIAEMO c1ccc(C(C[N@H+]2CC[C@H]3CCCCN3CC2)c2ccccc2)cc1 ZINC000022040974 212273042 /nfs/dbraw/zinc/27/30/42/212273042.db2.gz QNQJCPVHNZVYDS-JOCHJYFZSA-N 1 1 334.507 4.379 10 0 EIAEMO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1[N@@H+]1CCC[C@@H](C)C1 ZINC000226329945 242098413 /nfs/dbraw/zinc/09/84/13/242098413.db2.gz PQXDAANCHYDLGE-CYBMUJFWSA-N 1 1 341.430 4.205 10 0 EIAEMO Cc1cc(N)c(NC(=O)c2ccccc2F)cc1[N@H+]1CCC[C@@H](C)C1 ZINC000226329945 242098421 /nfs/dbraw/zinc/09/84/21/242098421.db2.gz PQXDAANCHYDLGE-CYBMUJFWSA-N 1 1 341.430 4.205 10 0 EIAEMO CSc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)cc1 ZINC000012458962 211388512 /nfs/dbraw/zinc/38/85/12/211388512.db2.gz TVJJAACZCCLVIZ-QGZVFWFLSA-N 1 1 346.540 4.326 10 0 EIAEMO CCN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000242687342 258000536 /nfs/dbraw/zinc/00/05/36/258000536.db2.gz UFYNNBDNSGGGEQ-SJLPKXTDSA-N 1 1 332.488 4.154 10 0 EIAEMO C[C@H]1[C@H](C)[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238855000 258001137 /nfs/dbraw/zinc/00/11/37/258001137.db2.gz QBFXTPLFVTYROG-NBOOPKSLSA-N 1 1 332.488 4.056 10 0 EIAEMO CCCC[C@H]1C[N@H+](Cc2ccc(COC)o2)Cc2ccccc2O1 ZINC000014978252 564037110 /nfs/dbraw/zinc/03/71/10/564037110.db2.gz HNKGOEUQEUFEHD-KRWDZBQOSA-N 1 1 329.440 4.379 10 0 EIAEMO CCCC[C@H]1C[N@@H+](Cc2ccc(COC)o2)Cc2ccccc2O1 ZINC000014978252 564037111 /nfs/dbraw/zinc/03/71/11/564037111.db2.gz HNKGOEUQEUFEHD-KRWDZBQOSA-N 1 1 329.440 4.379 10 0 EIAEMO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1nc(C2CC2)no1 ZINC000089670070 1039082621 /nfs/dbraw/zinc/08/26/21/1039082621.db2.gz PNLXTLBIDMDAMH-SCLBCKFNSA-N 1 1 325.456 4.484 10 0 EIAEMO Cc1cccc([C@H]2CCC[N@H+]2Cc2c(Cl)n(C)nc2C(C)C)n1 ZINC000093453444 1039693348 /nfs/dbraw/zinc/69/33/48/1039693348.db2.gz YDSAXGNSCGMKBC-MRXNPFEDSA-N 1 1 332.879 4.237 10 0 EIAEMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2c(Cl)n(C)nc2C(C)C)n1 ZINC000093453444 1039693369 /nfs/dbraw/zinc/69/33/69/1039693369.db2.gz YDSAXGNSCGMKBC-MRXNPFEDSA-N 1 1 332.879 4.237 10 0 EIAEMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCNCc1cc(Br)cs1 ZINC000053439264 214183017 /nfs/dbraw/zinc/18/30/17/214183017.db2.gz IAXTWWMMLPLAMS-DOMZBBRYSA-N 1 1 345.350 4.111 10 0 EIAEMO CC[C@H]1CCCC[N@H+]1CC[C@H](O)c1cccc(Br)c1 ZINC000053972684 214209213 /nfs/dbraw/zinc/20/92/13/214209213.db2.gz YUQSIPRHZICDMD-HOTGVXAUSA-N 1 1 326.278 4.137 10 0 EIAEMO C[C@@H](Nc1cc(Br)ccc1Cl)[C@H]1CCC[N@@H+](C)C1 ZINC000061690864 214670852 /nfs/dbraw/zinc/67/08/52/214670852.db2.gz OVNMUASEBJVSOZ-MNOVXSKESA-N 1 1 331.685 4.245 10 0 EIAEMO 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/nfs/dbraw/zinc/10/02/08/258100208.db2.gz NWUJXJSTAOZCRD-UHFFFAOYSA-N 1 1 341.842 4.371 10 0 EIAEMO CCC[NH+](CCC)c1ccc(N)cc1C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000226323638 535326979 /nfs/dbraw/zinc/32/69/79/535326979.db2.gz CEIOJRKNTZTLKK-IYBDPMFKSA-N 1 1 331.504 4.298 10 0 EIAEMO CC(C)[N@@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000015002467 564052147 /nfs/dbraw/zinc/05/21/47/564052147.db2.gz QZDJTKPNYYZIOS-UHFFFAOYSA-N 1 1 340.448 4.272 10 0 EIAEMO CC(C)[N@H+]1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000015002467 564052148 /nfs/dbraw/zinc/05/21/48/564052148.db2.gz QZDJTKPNYYZIOS-UHFFFAOYSA-N 1 1 340.448 4.272 10 0 EIAEMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@H+](C2CCC2)C1 ZINC000012709958 564063516 /nfs/dbraw/zinc/06/35/16/564063516.db2.gz ZYXIAJPEKKTRAD-AKERNLMBSA-N 1 1 327.468 4.288 10 0 EIAEMO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC000015862265 564077043 /nfs/dbraw/zinc/07/70/43/564077043.db2.gz FSHWOHARCFBPFM-UHFFFAOYSA-N 1 1 344.817 4.343 10 0 EIAEMO CCOC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3Cl)o2)C1 ZINC000075743707 1045844134 /nfs/dbraw/zinc/84/41/34/1045844134.db2.gz RINUENZWSRLRKG-AWEZNQCLSA-N 1 1 334.847 4.244 10 0 EIAEMO CC[NH2+][C@@H](c1ccc(CC)o1)c1cc(F)ccc1Br ZINC000051727996 214101966 /nfs/dbraw/zinc/10/19/66/214101966.db2.gz PJHGTKPATNUIGA-OAHLLOKOSA-N 1 1 326.209 4.443 10 0 EIAEMO CN[C@H](CC[N@@H+](C)CC(C)(C)C)c1ccc(Br)cc1 ZINC000053941833 214206197 /nfs/dbraw/zinc/20/61/97/214206197.db2.gz KMGAFOZCNZAILQ-OAHLLOKOSA-N 1 1 327.310 4.078 10 0 EIAEMO CC[N@@H+](CC[C@H](N)c1ccccc1Br)C1CCCC1 ZINC000054017758 214210937 /nfs/dbraw/zinc/21/09/37/214210937.db2.gz XZMYQGYFVNMQCC-INIZCTEOSA-N 1 1 325.294 4.104 10 0 EIAEMO CC(C)C[C@@H](C)[N@@H+](C)CCC(=O)c1ccccc1Br ZINC000054014692 214211009 /nfs/dbraw/zinc/21/10/09/214211009.db2.gz NLWFPJDVFRAFLV-CYBMUJFWSA-N 1 1 326.278 4.388 10 0 EIAEMO [NH3+][C@H](CCN1CCCCCCC1)c1ccccc1Br ZINC000054016499 214211192 /nfs/dbraw/zinc/21/11/92/214211192.db2.gz RKBHCCVZTPMSTA-MRXNPFEDSA-N 1 1 325.294 4.105 10 0 EIAEMO CCC[C@@H](C)[N@@H+](CC)Cc1ccccc1-c1nc(C(F)F)cc(=O)[nH]1 ZINC000067947561 215256507 /nfs/dbraw/zinc/25/65/07/215256507.db2.gz WQMMQKZFQNPIND-CYBMUJFWSA-N 1 1 349.425 4.385 10 0 EIAEMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592736 215321191 /nfs/dbraw/zinc/32/11/91/215321191.db2.gz ORBLPFKGRVVFDQ-UIBIWLFHSA-N 1 1 332.488 4.199 10 0 EIAEMO Nc1c(NC23CC4CC(CC(C4)C2)C3)nc[nH+]c1NCc1ccccc1 ZINC000040709253 213373542 /nfs/dbraw/zinc/37/35/42/213373542.db2.gz RMLIKYHDIJRSAU-UHFFFAOYSA-N 1 1 349.482 4.052 10 0 EIAEMO Nc1c(NCc2ccccc2)nc[nH+]c1NC12CC3CC(CC(C3)C1)C2 ZINC000040709253 213373543 /nfs/dbraw/zinc/37/35/43/213373543.db2.gz RMLIKYHDIJRSAU-UHFFFAOYSA-N 1 1 349.482 4.052 10 0 EIAEMO CC(C)C[C@H](CN[C@H](C)c1ccc(Br)s1)[NH+](C)C ZINC000038002140 213186135 /nfs/dbraw/zinc/18/61/35/213186135.db2.gz VRQPWZGCYSRDBF-VXGBXAGGSA-N 1 1 333.339 4.138 10 0 EIAEMO CCc1ncc(C[NH2+][C@@H](C)c2ccccc2Br)s1 ZINC000037924141 213173383 /nfs/dbraw/zinc/17/33/83/213173383.db2.gz UDRLVDMGOGLUBS-JTQLQIEISA-N 1 1 325.275 4.319 10 0 EIAEMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)Cc2ccccc2)o1 ZINC000036097665 213065688 /nfs/dbraw/zinc/06/56/88/213065688.db2.gz BIKRCILPWUXMHZ-OAQYLSRUSA-N 1 1 335.447 4.194 10 0 EIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000035805144 213048420 /nfs/dbraw/zinc/04/84/20/213048420.db2.gz HOIFSAIDAIHGAR-OAHLLOKOSA-N 1 1 348.874 4.183 10 0 EIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000035805144 213048422 /nfs/dbraw/zinc/04/84/22/213048422.db2.gz HOIFSAIDAIHGAR-OAHLLOKOSA-N 1 1 348.874 4.183 10 0 EIAEMO CCCOc1ccc2ccccc2c1CNC[C@@H]1CCC[N@@H+]1CC ZINC000020968019 212192704 /nfs/dbraw/zinc/19/27/04/212192704.db2.gz PDNNWOGCYYHRDL-SFHVURJKSA-N 1 1 326.484 4.203 10 0 EIAEMO CCCOc1ccc2ccccc2c1CNC[C@@H]1CCC[N@H+]1CC ZINC000020968019 212192709 /nfs/dbraw/zinc/19/27/09/212192709.db2.gz PDNNWOGCYYHRDL-SFHVURJKSA-N 1 1 326.484 4.203 10 0 EIAEMO CC[NH+](CC)CCNCc1ccc(OCc2ccc(C)cc2)cc1 ZINC000020873775 212179891 /nfs/dbraw/zinc/17/98/91/212179891.db2.gz AGPQLIWYKDFRNB-UHFFFAOYSA-N 1 1 326.484 4.005 10 0 EIAEMO CC[N@@H+]([C@H](CN)c1cc(Br)cs1)C1CCCCC1 ZINC000020475225 212136033 /nfs/dbraw/zinc/13/60/33/212136033.db2.gz ODMPAWBUNVLZLT-CYBMUJFWSA-N 1 1 331.323 4.165 10 0 EIAEMO CCN([C@H](C[NH3+])c1cc(Br)cs1)C1CCCCC1 ZINC000020475225 212136035 /nfs/dbraw/zinc/13/60/35/212136035.db2.gz ODMPAWBUNVLZLT-CYBMUJFWSA-N 1 1 331.323 4.165 10 0 EIAEMO CC[NH+](CC)CCNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000020477597 212135827 /nfs/dbraw/zinc/13/58/27/212135827.db2.gz UGNDRBUASBEDOD-UHFFFAOYSA-N 1 1 346.902 4.350 10 0 EIAEMO CC(C)N(CC[NH2+][C@H](C)c1cccc(Br)c1)C(C)C ZINC000019901007 212080879 /nfs/dbraw/zinc/08/08/79/212080879.db2.gz AAXQNMKIDHCPHF-CQSZACIVSA-N 1 1 327.310 4.219 10 0 EIAEMO CCN([C@@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019475383 212031062 /nfs/dbraw/zinc/03/10/62/212031062.db2.gz RTCJOHXIKUBUSK-LBPRGKRZSA-N 1 1 331.323 4.165 10 0 EIAEMO CC[N@@H+]([C@@H](CN)c1ccc(Br)s1)C1CCCCC1 ZINC000019475383 212031060 /nfs/dbraw/zinc/03/10/60/212031060.db2.gz RTCJOHXIKUBUSK-LBPRGKRZSA-N 1 1 331.323 4.165 10 0 EIAEMO CC(=O)c1nc2ccccc2n1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095082710 218274448 /nfs/dbraw/zinc/27/44/48/218274448.db2.gz IEVLRJAXOCVAAY-IBGZPJMESA-N 1 1 347.462 4.151 10 0 EIAEMO CC(=O)c1nc2ccccc2n1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000095082694 218274794 /nfs/dbraw/zinc/27/47/94/218274794.db2.gz DZJAZYJFZDILIV-GOSISDBHSA-N 1 1 333.435 4.076 10 0 EIAEMO c1ccc2c(c1)cccc2-c1n[nH]c2c1C[N@@H+](C1CCSCC1)CC2 ZINC000015064284 564053237 /nfs/dbraw/zinc/05/32/37/564053237.db2.gz YBLQPRNJRCZDOM-UHFFFAOYSA-N 1 1 349.503 4.484 10 0 EIAEMO Cc1csc(C2CC[NH+](Cc3c(Cl)nc4ccccn43)CC2)n1 ZINC000092787324 1039589891 /nfs/dbraw/zinc/58/98/91/1039589891.db2.gz SULOGARUJTYRAM-UHFFFAOYSA-N 1 1 346.887 4.132 10 0 EIAEMO CC[N@@H+](CC[C@H](N)c1cccc(Br)c1)C1CCCC1 ZINC000053939832 214205681 /nfs/dbraw/zinc/20/56/81/214205681.db2.gz AKZPQTNNWMVVHB-INIZCTEOSA-N 1 1 325.294 4.104 10 0 EIAEMO CC(C)C[N@@H+](CC[C@H](O)c1cccc(Br)c1)C(C)C ZINC000053973737 214208838 /nfs/dbraw/zinc/20/88/38/214208838.db2.gz XNJMUAOYTHRLNT-INIZCTEOSA-N 1 1 328.294 4.239 10 0 EIAEMO C[N@@H+](CC[C@H](N)c1ccccc1Br)C1CCCCC1 ZINC000054016360 214210644 /nfs/dbraw/zinc/21/06/44/214210644.db2.gz LZQCOVZZFOPTLS-INIZCTEOSA-N 1 1 325.294 4.104 10 0 EIAEMO CCCC[N@@H+](Cc1ccco1)Cc1cc2ccc(F)cc2[nH]c1=O ZINC000055035826 214265317 /nfs/dbraw/zinc/26/53/17/214265317.db2.gz IHOGSRXYWHEUJG-UHFFFAOYSA-N 1 1 328.387 4.063 10 0 EIAEMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCOc1cccc(Br)c1 ZINC000103973477 219335225 /nfs/dbraw/zinc/33/52/25/219335225.db2.gz KVVYBHARXFPSLB-XJKSGUPXSA-N 1 1 326.278 4.338 10 0 EIAEMO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000068593221 215321274 /nfs/dbraw/zinc/32/12/74/215321274.db2.gz QBFXTPLFVTYROG-KYHPRHEASA-N 1 1 332.488 4.056 10 0 EIAEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](CN)c2ccc(OCc3ccccc3)cc2)C1 ZINC000039789216 213242584 /nfs/dbraw/zinc/24/25/84/213242584.db2.gz RSWFDWCZDRKHCP-KGVIQGDOSA-N 1 1 338.495 4.243 10 0 EIAEMO C[NH2+][C@@H](c1ccc(Br)s1)c1c(F)cc(F)cc1F ZINC000035469396 213031040 /nfs/dbraw/zinc/03/10/40/213031040.db2.gz KOLUDBXQHCZMTO-LBPRGKRZSA-N 1 1 336.176 4.237 10 0 EIAEMO CCCOc1c(Cl)cc(CNC[C@H]2CCC[N@@H+]2CC)cc1Cl ZINC000020967536 212193847 /nfs/dbraw/zinc/19/38/47/212193847.db2.gz CNCXRDDSSKXBEJ-CQSZACIVSA-N 1 1 345.314 4.356 10 0 EIAEMO CCCOc1c(Cl)cc(CNC[C@H]2CCC[N@H+]2CC)cc1Cl ZINC000020967536 212193852 /nfs/dbraw/zinc/19/38/52/212193852.db2.gz CNCXRDDSSKXBEJ-CQSZACIVSA-N 1 1 345.314 4.356 10 0 EIAEMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000238853141 258001200 /nfs/dbraw/zinc/00/12/00/258001200.db2.gz ILMMOMVUQUFKMT-HTBDUDNFSA-N 1 1 346.515 4.445 10 0 EIAEMO COc1cc2c(cc1O)[C@H](CCc1ccc(Cl)cc1)[N@@H+](C)CC2 ZINC000001998271 563417661 /nfs/dbraw/zinc/41/76/61/563417661.db2.gz DSTWURHEHMZWEI-KRWDZBQOSA-N 1 1 331.843 4.216 10 0 in-vitro EIAEMO Cc1cccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c1Br ZINC000725262843 563986361 /nfs/dbraw/zinc/98/63/61/563986361.db2.gz YSTINSWUBGVQNK-UHFFFAOYSA-N 1 1 326.278 4.147 10 0 EIAEMO CCCC[N@@H+]1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251009 564117211 /nfs/dbraw/zinc/11/72/11/564117211.db2.gz LBHUKNFJJPZZNH-UHFFFAOYSA-N 1 1 335.245 4.480 10 0 EIAEMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C(N)=O)C2)s1 ZINC000328603125 564136843 /nfs/dbraw/zinc/13/68/43/564136843.db2.gz DWVREGKMUFOSIY-GFCCVEGCSA-N 1 1 346.500 4.032 10 0 EIAEMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCNCc1cc(Br)cs1 ZINC000053439271 214182728 /nfs/dbraw/zinc/18/27/28/214182728.db2.gz IAXTWWMMLPLAMS-IUODEOHRSA-N 1 1 345.350 4.111 10 0 EIAEMO C[NH2+][C@@H](c1ccccc1Br)c1cc(Cl)ccc1OC ZINC000055226938 214292423 /nfs/dbraw/zinc/29/24/23/214292423.db2.gz PULNQWDUBLWPSP-HNNXBMFYSA-N 1 1 340.648 4.420 10 0 EIAEMO CC[C@@H](C)[N@@H+](Cc1cccn1-c1nccs1)Cc1ccncc1 ZINC000055327374 214307944 /nfs/dbraw/zinc/30/79/44/214307944.db2.gz VMJYRGZDKUWTDI-OAHLLOKOSA-N 1 1 326.469 4.130 10 0 EIAEMO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC000068593233 215321876 /nfs/dbraw/zinc/32/18/76/215321876.db2.gz ILMMOMVUQUFKMT-BCDMZGRMSA-N 1 1 346.515 4.445 10 0 EIAEMO C[NH2+][C@H](c1ccoc1)c1cc(Cl)cc(Br)c1OC ZINC000035457949 213029942 /nfs/dbraw/zinc/02/99/42/213029942.db2.gz TXXFDVCNIYPMJI-GFCCVEGCSA-N 1 1 330.609 4.013 10 0 EIAEMO Nc1nc(N)c2cc(Sc3ccc(Cl)c(Cl)c3)ccc2[nH+]1 ZINC000025968813 212503232 /nfs/dbraw/zinc/50/32/32/212503232.db2.gz QNNPAYVFMMNZIX-UHFFFAOYSA-N 1 1 337.235 4.252 10 0 EIAEMO CC(C)N(CC[NH2+][C@H](C)c1ccc(Br)cc1)C(C)C ZINC000019901002 212080724 /nfs/dbraw/zinc/08/07/24/212080724.db2.gz WFOSFPYUZASILN-CQSZACIVSA-N 1 1 327.310 4.219 10 0 EIAEMO CC(C)C[C@H](O)c1ccc2c(c1)C[N@H+](CCc1ccccc1)CCO2 ZINC000011882474 211264155 /nfs/dbraw/zinc/26/41/55/211264155.db2.gz VVVHJUNQTPTRNW-NRFANRHFSA-N 1 1 339.479 4.203 10 0 EIAEMO C[C@@H]1[C@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000238853145 258001168 /nfs/dbraw/zinc/00/11/68/258001168.db2.gz ILMMOMVUQUFKMT-OREBXVKISA-N 1 1 346.515 4.445 10 0 EIAEMO CC[C@@H](C)[N@@H+](Cc1ccncc1)Cc1ccccc1Cn1cccn1 ZINC000063844849 563956083 /nfs/dbraw/zinc/95/60/83/563956083.db2.gz BKZMCKPODQNGQS-GOSISDBHSA-N 1 1 334.467 4.127 10 0 EIAEMO c1ccc(CC[N@H+]2CC[C@@H](c3ccnc(-c4ccncc4)c3)C2)cc1 ZINC000065372726 564105594 /nfs/dbraw/zinc/10/55/94/564105594.db2.gz HWGDLRMIRZSFIB-OAQYLSRUSA-N 1 1 329.447 4.176 10 0 EIAEMO Cc1cc(C[N@@H+]2CCC[C@@H](C)C2)c(C)cc1I ZINC000675075908 564113287 /nfs/dbraw/zinc/11/32/87/564113287.db2.gz WVPIDWLBXDORQJ-LLVKDONJSA-N 1 1 343.252 4.140 10 0 EIAEMO C[N@@H+](CCC1CCOCC1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000120486812 1032330248 /nfs/dbraw/zinc/33/02/48/1032330248.db2.gz JLVYHMCZKHZDFI-UHFFFAOYSA-N 1 1 334.847 4.244 10 0 EIAEMO CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1nccn1C(F)F ZINC000122106823 1031445735 /nfs/dbraw/zinc/44/57/35/1031445735.db2.gz DYKSIZLJFCESJX-HNNXBMFYSA-N 1 1 335.398 4.405 10 0 EIAEMO Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000092788764 1039593092 /nfs/dbraw/zinc/59/30/92/1039593092.db2.gz OLGBBZRWJYSUOP-AWEZNQCLSA-N 1 1 342.443 4.052 10 0 EIAEMO CCCC[N@@H+](CC)CC[C@H](NC)c1ccc(Br)cc1 ZINC000053938313 214206889 /nfs/dbraw/zinc/20/68/89/214206889.db2.gz BACNPGCZUJPZBL-INIZCTEOSA-N 1 1 327.310 4.222 10 0 EIAEMO CC[N@@H+](CC[C@H](O)c1cccc(Br)c1)C1CCCC1 ZINC000053972825 214209140 /nfs/dbraw/zinc/20/91/40/214209140.db2.gz CUBFBTYEQXACJT-INIZCTEOSA-N 1 1 326.278 4.137 10 0 EIAEMO CC[C@H]1CCC(=O)[C@@H](C[N@@H+](C)Cc2csc(Br)c2)C1 ZINC000053930175 214204510 /nfs/dbraw/zinc/20/45/10/214204510.db2.gz LFJCKJIMCCCFJE-WCQYABFASA-N 1 1 344.318 4.338 10 0 EIAEMO CCc1[nH+]c(-c2cc(Br)ccc2F)c(N)n1C(C)C ZINC000103501792 219308063 /nfs/dbraw/zinc/30/80/63/219308063.db2.gz BCLDZMXXALEKHN-UHFFFAOYSA-N 1 1 326.213 4.177 10 0 EIAEMO Cc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)o1 ZINC000036098038 213064233 /nfs/dbraw/zinc/06/42/33/213064233.db2.gz IYSHDOGTORKTNV-FQEVSTJZSA-N 1 1 345.483 4.014 10 0 EIAEMO Nc1cccc(C[N@@H+](Cc2ccc(Br)s2)C2CC2)c1 ZINC000035366287 213023370 /nfs/dbraw/zinc/02/33/70/213023370.db2.gz UXUQKMCHGAXVSB-UHFFFAOYSA-N 1 1 337.286 4.257 10 0 EIAEMO CC(C)C[C@H](CN[C@@H](C)c1ccc(Br)s1)[NH+](C)C ZINC000038002138 213185737 /nfs/dbraw/zinc/18/57/37/213185737.db2.gz VRQPWZGCYSRDBF-NWDGAFQWSA-N 1 1 333.339 4.138 10 0 EIAEMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1Br ZINC000019913072 212083994 /nfs/dbraw/zinc/08/39/94/212083994.db2.gz NNJCMYPCIWDPEG-GJZGRUSLSA-N 1 1 339.321 4.364 10 0 EIAEMO CCN(CC)CC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000019919550 212083957 /nfs/dbraw/zinc/08/39/57/212083957.db2.gz ORSOSLZAMAJYMM-LBPRGKRZSA-N 1 1 339.277 4.188 10 0 EIAEMO CC(C)(C)CC(C)(C)N1CC(O)C[N@H+](C(C)(C)CC(C)(C)C)C1 ZINC000019319469 212015366 /nfs/dbraw/zinc/01/53/66/212015366.db2.gz SITWMFMTHVSDBQ-UHFFFAOYSA-N 1 1 326.569 4.352 10 0 EIAEMO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc(OC)ccc1F)C2 ZINC000012198487 211318684 /nfs/dbraw/zinc/31/86/84/211318684.db2.gz RFGLZYYOHOCSKX-ALPJNHHUSA-N 1 1 346.490 4.088 10 0 EIAEMO CC(=O)c1nc2ccccc2n1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095082704 218275168 /nfs/dbraw/zinc/27/51/68/218275168.db2.gz ZOYOMJJFDUHFQE-LJQANCHMSA-N 1 1 347.462 4.294 10 0 EIAEMO Cc1csc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000127695099 1031702002 /nfs/dbraw/zinc/70/20/02/1031702002.db2.gz QOCYWERFGPLTNG-INIZCTEOSA-N 1 1 338.480 4.221 10 0 EIAEMO CCCC[N@@H+](CC[C@H](N)c1cccc(Br)c1)C1CC1 ZINC000053940864 214205489 /nfs/dbraw/zinc/20/54/89/214205489.db2.gz QECNZJVJEWWPOK-INIZCTEOSA-N 1 1 325.294 4.104 10 0 EIAEMO C[N@@H+](CC[C@@H](N)c1ccccc1Br)C1CCCCC1 ZINC000054016362 214210753 /nfs/dbraw/zinc/21/07/53/214210753.db2.gz LZQCOVZZFOPTLS-MRXNPFEDSA-N 1 1 325.294 4.104 10 0 EIAEMO c1ccc(CCC[N@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)cc1 ZINC000055282269 214302056 /nfs/dbraw/zinc/30/20/56/214302056.db2.gz SFRDLXKQUUCFRZ-HSZRJFAPSA-N 1 1 349.522 4.002 10 0 EIAEMO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(N)cc1Br ZINC000049725951 214030529 /nfs/dbraw/zinc/03/05/29/214030529.db2.gz SDHGHTQFFFKCCV-SNVBAGLBSA-N 1 1 325.275 4.286 10 0 EIAEMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(N)cc1Br ZINC000049725951 214030533 /nfs/dbraw/zinc/03/05/33/214030533.db2.gz SDHGHTQFFFKCCV-SNVBAGLBSA-N 1 1 325.275 4.286 10 0 EIAEMO CCCC[N@H+]([C@@H](CN)c1ccc(Br)cc1)[C@@H](C)CC ZINC000103933458 219330312 /nfs/dbraw/zinc/33/03/12/219330312.db2.gz YHHLAEHTMQFEGR-BBRMVZONSA-N 1 1 327.310 4.350 10 0 EIAEMO CCCC(CN)(CCC)[N@H+](C)Cc1cccc(Br)c1 ZINC000103984529 219335968 /nfs/dbraw/zinc/33/59/68/219335968.db2.gz IQNFXBJCOKXWIX-UHFFFAOYSA-N 1 1 327.310 4.179 10 0 EIAEMO CCCC(CN)(CCC)[N@@H+](C)Cc1cccc(Br)c1 ZINC000103984529 219335971 /nfs/dbraw/zinc/33/59/71/219335971.db2.gz IQNFXBJCOKXWIX-UHFFFAOYSA-N 1 1 327.310 4.179 10 0 EIAEMO C[C@@H]1C(NC(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592749 215321203 /nfs/dbraw/zinc/32/12/03/215321203.db2.gz YASBDTKCNDHYRQ-SABWUSEZSA-N 1 1 346.515 4.445 10 0 EIAEMO CC(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000040456572 213304949 /nfs/dbraw/zinc/30/49/49/213304949.db2.gz MLYJCHYYPVIGHW-SFHVURJKSA-N 1 1 332.488 4.154 10 0 EIAEMO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000038013669 213190186 /nfs/dbraw/zinc/19/01/86/213190186.db2.gz URQYCELVWFTEAG-ZJUUUORDSA-N 1 1 335.250 4.088 10 0 EIAEMO C[NH2+][C@@H](c1ccc(F)cc1Br)c1cc(F)ccc1F ZINC000035468812 213031334 /nfs/dbraw/zinc/03/13/34/213031334.db2.gz RUJFRKHZGRICSB-AWEZNQCLSA-N 1 1 330.147 4.175 10 0 EIAEMO Cc1cc(Br)cc(C)c1N[C@@H](C)[C@H]1CCC[N@@H+](C)C1 ZINC000037772417 213166148 /nfs/dbraw/zinc/16/61/48/213166148.db2.gz FRYYEKJXBKURQJ-KBPBESRZSA-N 1 1 325.294 4.208 10 0 EIAEMO Cc1[nH+]ccn1CCNc1c(Cl)cc(Br)cc1Cl ZINC000049330020 214001646 /nfs/dbraw/zinc/00/16/46/214001646.db2.gz RTTOOPBHOOQMRU-UHFFFAOYSA-N 1 1 349.059 4.373 10 0 EIAEMO [NH3+][C@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2)o1 ZINC000012418160 211374703 /nfs/dbraw/zinc/37/47/03/211374703.db2.gz RTGUCRXOIDMIDB-OAHLLOKOSA-N 1 1 345.855 4.258 10 0 EIAEMO CC(C)C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCCn1cccn1 ZINC000011770213 211247048 /nfs/dbraw/zinc/24/70/48/211247048.db2.gz SYMSQEWZPYSKKR-FQEVSTJZSA-N 1 1 336.483 4.400 10 0 EIAEMO CC(C)C[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCCn1cccn1 ZINC000011770206 211246554 /nfs/dbraw/zinc/24/65/54/211246554.db2.gz SYMSQEWZPYSKKR-HXUWFJFHSA-N 1 1 336.483 4.400 10 0 EIAEMO CC(=O)c1nc2ccccc2n1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095082703 218274833 /nfs/dbraw/zinc/27/48/33/218274833.db2.gz ZOYOMJJFDUHFQE-IBGZPJMESA-N 1 1 347.462 4.294 10 0 EIAEMO CCc1ncc(C[NH2+][C@H](C)c2ccccc2Br)s1 ZINC000037924142 522557183 /nfs/dbraw/zinc/55/71/83/522557183.db2.gz UDRLVDMGOGLUBS-SNVBAGLBSA-N 1 1 325.275 4.319 10 0 EIAEMO O=C(NCC1CC1)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000106610579 564177332 /nfs/dbraw/zinc/17/73/32/564177332.db2.gz YMOSAYYMOZAAQK-VXKWHMMOSA-N 1 1 348.490 4.166 10 0 EIAEMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2c(Cl)n(C)nc2C(C)C)n1 ZINC000093453443 1039694854 /nfs/dbraw/zinc/69/48/54/1039694854.db2.gz YDSAXGNSCGMKBC-INIZCTEOSA-N 1 1 332.879 4.237 10 0 EIAEMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2c(Cl)n(C)nc2C(C)C)n1 ZINC000093453443 1039694913 /nfs/dbraw/zinc/69/49/13/1039694913.db2.gz YDSAXGNSCGMKBC-INIZCTEOSA-N 1 1 332.879 4.237 10 0 EIAEMO C[N@@H+](CCNc1ccc(Br)cc1)Cc1ccsc1 ZINC000053381420 214180047 /nfs/dbraw/zinc/18/00/47/214180047.db2.gz BRIWUDPYLHJOHE-UHFFFAOYSA-N 1 1 325.275 4.055 10 0 EIAEMO CCCN[C@@H](CC[NH+](CC)CC)c1cccc(Br)c1 ZINC000053937543 214206231 /nfs/dbraw/zinc/20/62/31/214206231.db2.gz NDLZQEPNPKGYSB-INIZCTEOSA-N 1 1 327.310 4.222 10 0 EIAEMO CCCN[C@@H](CC[N@H+](C)CCC)c1cccc(Br)c1 ZINC000053939275 214206586 /nfs/dbraw/zinc/20/65/86/214206586.db2.gz ARFQAKXCVXIXPL-INIZCTEOSA-N 1 1 327.310 4.222 10 0 EIAEMO CCCN[C@@H](CC[N@@H+](C)CCC)c1cccc(Br)c1 ZINC000053939275 214206590 /nfs/dbraw/zinc/20/65/90/214206590.db2.gz ARFQAKXCVXIXPL-INIZCTEOSA-N 1 1 327.310 4.222 10 0 EIAEMO CN[C@@H](CC[N@@H+](C)[C@@H](C)C(C)C)c1ccc(Br)cc1 ZINC000053939943 214206916 /nfs/dbraw/zinc/20/69/16/214206916.db2.gz BKFBZGVOZULEGH-BBRMVZONSA-N 1 1 327.310 4.076 10 0 EIAEMO C[N@@H+](CC[C@@H](O)c1cccc(Br)c1)C1CCCCC1 ZINC000053972554 214207188 /nfs/dbraw/zinc/20/71/88/214207188.db2.gz IKEAIHLJGCKIQV-MRXNPFEDSA-N 1 1 326.278 4.137 10 0 EIAEMO CC(C)C[N@@H+](CC[C@@H](O)c1cccc(Br)c1)C(C)C ZINC000053973738 214209421 /nfs/dbraw/zinc/20/94/21/214209421.db2.gz XNJMUAOYTHRLNT-MRXNPFEDSA-N 1 1 328.294 4.239 10 0 EIAEMO [NH3+][C@@H](CCN1CCCCCCC1)c1ccccc1Br ZINC000054016502 214211249 /nfs/dbraw/zinc/21/12/49/214211249.db2.gz RKBHCCVZTPMSTA-INIZCTEOSA-N 1 1 325.294 4.105 10 0 EIAEMO CCOc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccn2)cc1 ZINC000037523522 213153675 /nfs/dbraw/zinc/15/36/75/213153675.db2.gz RXPLJJKKWJUJKD-QFIPXVFZSA-N 1 1 347.462 4.277 10 0 EIAEMO CCOc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccn2)cc1 ZINC000037523522 213153677 /nfs/dbraw/zinc/15/36/77/213153677.db2.gz RXPLJJKKWJUJKD-QFIPXVFZSA-N 1 1 347.462 4.277 10 0 EIAEMO Fc1ccccc1[C@@H]1C[N@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000019608593 212051054 /nfs/dbraw/zinc/05/10/54/212051054.db2.gz NLXUQVAFBSAJNJ-NRFANRHFSA-N 1 1 334.394 4.357 10 0 EIAEMO Fc1ccccc1[C@@H]1C[N@@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000019608593 212051057 /nfs/dbraw/zinc/05/10/57/212051057.db2.gz NLXUQVAFBSAJNJ-NRFANRHFSA-N 1 1 334.394 4.357 10 0 EIAEMO Fc1ccc(C[N@H+]2CC[C@@H](OCC3CC3)[C@H]2Cc2ccccc2)cc1 ZINC000503716614 257831999 /nfs/dbraw/zinc/83/19/99/257831999.db2.gz INXLQNBGBSRBNY-FGZHOGPDSA-N 1 1 339.454 4.438 10 0 EIAEMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000238854646 258001194 /nfs/dbraw/zinc/00/11/94/258001194.db2.gz ORBLPFKGRVVFDQ-MUQADHOPSA-N 1 1 332.488 4.199 10 0 EIAEMO Cc1ccc(CSc2nnc([C@@H]([NH3+])Cc3ccccc3)o2)cc1C ZINC000040173891 258003457 /nfs/dbraw/zinc/00/34/57/258003457.db2.gz LHJGWDUJNPWUQX-KRWDZBQOSA-N 1 1 339.464 4.221 10 0 EIAEMO CC[N@H+](Cc1cc(C)c(I)cc1C)CC(C)C ZINC000675075876 564113305 /nfs/dbraw/zinc/11/33/05/564113305.db2.gz WGHMOGFFKBNSNI-UHFFFAOYSA-N 1 1 345.268 4.386 10 0 EIAEMO CC(C)(C)c1ccc(C2=CSC(NC3=[NH+]CCCCC3)=NN2)cc1 ZINC000048554799 564129423 /nfs/dbraw/zinc/12/94/23/564129423.db2.gz SXUOQEFNPPTSDL-UHFFFAOYSA-N 1 1 342.512 4.452 10 0 EIAEMO