smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@@H](O)C[NH+]1CCCC1 ZINC000749299787 577974213 /nfs/dbraw/zinc/97/42/13/577974213.db2.gz ZQVRRSLFPUMOKU-KRWDZBQOSA-N 2 2 330.428 2.444 20 10 EECDLP Oc1ccccc1C[N@H+](Cc1ccco1)C[C@@H](O)C[NH+]1CCCC1 ZINC000749299787 577974214 /nfs/dbraw/zinc/97/42/14/577974214.db2.gz ZQVRRSLFPUMOKU-KRWDZBQOSA-N 2 2 330.428 2.444 20 10 EECDLP CCOC[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000162828138 694338496 /nfs/dbraw/zinc/33/84/96/694338496.db2.gz NKWRUROVIDPOCC-KRWDZBQOSA-N 2 2 335.492 2.222 20 10 EECDLP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045393 692884531 /nfs/dbraw/zinc/88/45/31/692884531.db2.gz KSZAFIMTVIKDQY-QGZVFWFLSA-N 2 2 329.492 2.401 20 10 EECDLP C[NH+]1CCN(c2cc[nH+]c(NCc3cc([N+](=O)[O-])ccc3O)c2)CC1 ZINC000865295402 1198156067 /nfs/dbraw/zinc/15/60/67/1198156067.db2.gz GLRPERNYFJYXSX-UHFFFAOYSA-N 2 2 343.387 2.059 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370254 1202054814 /nfs/dbraw/zinc/05/48/14/1202054814.db2.gz INTBKJBRVYQRAL-ROUUACIJSA-N 2 2 347.503 2.148 20 10 EECDLP COCC[N@H+](Cc1ccc(N(C)C)cc1OC)C1CC[NH+](C)CC1 ZINC001231852829 1303930843 /nfs/dbraw/zinc/93/08/43/1303930843.db2.gz OSAYWSBUGVEZBI-UHFFFAOYSA-N 2 2 335.492 2.304 20 10 EECDLP COCC[N@@H+](Cc1ccc(N(C)C)cc1OC)C1CC[NH+](C)CC1 ZINC001231852829 1303930849 /nfs/dbraw/zinc/93/08/49/1303930849.db2.gz OSAYWSBUGVEZBI-UHFFFAOYSA-N 2 2 335.492 2.304 20 10 EECDLP COc1cc(C)c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(O)c1 ZINC001236814357 1305688160 /nfs/dbraw/zinc/68/81/60/1305688160.db2.gz RBDAHZYGFSBVHF-UHFFFAOYSA-N 2 2 342.443 2.438 20 10 EECDLP CC[N@H+](C)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411054 1314740962 /nfs/dbraw/zinc/74/09/62/1314740962.db2.gz RYSRLSCFBMNHLF-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411054 1314740964 /nfs/dbraw/zinc/74/09/64/1314740964.db2.gz RYSRLSCFBMNHLF-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3COC(C)(C)C3)CC2)cc1 ZINC000841854192 1315624370 /nfs/dbraw/zinc/62/43/70/1315624370.db2.gz MINSZLOUNWAYPX-QGZVFWFLSA-N 2 2 347.503 2.364 20 10 EECDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717149 1332749454 /nfs/dbraw/zinc/74/94/54/1332749454.db2.gz LSQCDJHCQHVXPQ-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717149 1332749456 /nfs/dbraw/zinc/74/94/56/1332749456.db2.gz LSQCDJHCQHVXPQ-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717149 1332749460 /nfs/dbraw/zinc/74/94/60/1332749460.db2.gz LSQCDJHCQHVXPQ-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717149 1332749461 /nfs/dbraw/zinc/74/94/61/1332749461.db2.gz LSQCDJHCQHVXPQ-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902637 785054537 /nfs/dbraw/zinc/05/45/37/785054537.db2.gz VUMVPHPWUOEZBY-CRAIPNDOSA-N 3 2 334.483 2.198 20 10 EECDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965015 463828414 /nfs/dbraw/zinc/82/84/14/463828414.db2.gz YGGJFVIXNCLVBH-ROUUACIJSA-N 2 2 332.492 2.133 20 10 EECDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965015 463828419 /nfs/dbraw/zinc/82/84/19/463828419.db2.gz YGGJFVIXNCLVBH-ROUUACIJSA-N 2 2 332.492 2.133 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621837 464723435 /nfs/dbraw/zinc/72/34/35/464723435.db2.gz ZIPHKSNLRNKUHZ-RISCZKNCSA-N 2 2 325.840 2.036 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621837 464723436 /nfs/dbraw/zinc/72/34/36/464723436.db2.gz ZIPHKSNLRNKUHZ-RISCZKNCSA-N 2 2 325.840 2.036 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000754062434 577799476 /nfs/dbraw/zinc/79/94/76/577799476.db2.gz SRJRDFLPXGJJCO-LMMKCTJWSA-N 2 2 347.503 2.051 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000754062436 577799505 /nfs/dbraw/zinc/79/95/05/577799505.db2.gz SRJRDFLPXGJJCO-SCTDSRPQSA-N 2 2 347.503 2.051 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000754062436 577799506 /nfs/dbraw/zinc/79/95/06/577799506.db2.gz SRJRDFLPXGJJCO-SCTDSRPQSA-N 2 2 347.503 2.051 20 10 EECDLP C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000756535554 577845987 /nfs/dbraw/zinc/84/59/87/577845987.db2.gz QZMJCZFVMCXZGI-STQMWFEESA-N 2 2 327.419 2.205 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1C ZINC000968877093 1221638702 /nfs/dbraw/zinc/63/87/02/1221638702.db2.gz LVSYPGUFTXUHDV-QGZVFWFLSA-N 2 2 342.443 2.050 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1C ZINC000968877093 1221638703 /nfs/dbraw/zinc/63/87/03/1221638703.db2.gz LVSYPGUFTXUHDV-QGZVFWFLSA-N 2 2 342.443 2.050 20 10 EECDLP C[N@H+](Cc1ccc(I)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235348484 1305200433 /nfs/dbraw/zinc/20/04/33/1305200433.db2.gz YSOZLZQWOIEWOO-GFCCVEGCSA-N 2 2 346.212 2.181 20 10 EECDLP C[N@@H+](Cc1ccc(I)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001235348484 1305200437 /nfs/dbraw/zinc/20/04/37/1305200437.db2.gz YSOZLZQWOIEWOO-GFCCVEGCSA-N 2 2 346.212 2.181 20 10 EECDLP Cc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)nc(C)[nH+]1 ZINC001232839198 1304266759 /nfs/dbraw/zinc/26/67/59/1304266759.db2.gz NFIVERDYHYNLAP-UHFFFAOYSA-N 2 2 341.459 2.187 20 10 EECDLP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236079851 1305495524 /nfs/dbraw/zinc/49/55/24/1305495524.db2.gz SPGDKFOBUTXFOC-GFCCVEGCSA-N 2 2 330.259 2.306 20 10 EECDLP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236079851 1305495533 /nfs/dbraw/zinc/49/55/33/1305495533.db2.gz SPGDKFOBUTXFOC-GFCCVEGCSA-N 2 2 330.259 2.306 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000841046112 1315462072 /nfs/dbraw/zinc/46/20/72/1315462072.db2.gz WJTLTNHPMIZJCU-QGZVFWFLSA-N 2 2 345.516 2.468 20 10 EECDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000841099554 1315475121 /nfs/dbraw/zinc/47/51/21/1315475121.db2.gz LUENMGUYUMLDCL-ZDUSSCGKSA-N 2 2 339.802 2.072 20 10 EECDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000841099554 1315475123 /nfs/dbraw/zinc/47/51/23/1315475123.db2.gz LUENMGUYUMLDCL-ZDUSSCGKSA-N 2 2 339.802 2.072 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000841101527 1315475643 /nfs/dbraw/zinc/47/56/43/1315475643.db2.gz WUBBFLIMWDXKKN-LBPRGKRZSA-N 2 2 329.238 2.013 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000841101527 1315475645 /nfs/dbraw/zinc/47/56/45/1315475645.db2.gz WUBBFLIMWDXKKN-LBPRGKRZSA-N 2 2 329.238 2.013 20 10 EECDLP Nc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)nc[nH+]1 ZINC001155641020 1317685379 /nfs/dbraw/zinc/68/53/79/1317685379.db2.gz TVLCNTJREKRWRZ-WFXMFSGNSA-N 2 2 325.460 2.458 20 10 EECDLP Nc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)nc[nH+]1 ZINC001155641020 1317685384 /nfs/dbraw/zinc/68/53/84/1317685384.db2.gz TVLCNTJREKRWRZ-WFXMFSGNSA-N 2 2 325.460 2.458 20 10 EECDLP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001203621368 1321924168 /nfs/dbraw/zinc/92/41/68/1321924168.db2.gz BWDFBNDUDKLLAF-QZTJIDSGSA-N 2 2 339.439 2.360 20 10 EECDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1O ZINC000817982095 785132086 /nfs/dbraw/zinc/13/20/86/785132086.db2.gz PLHGZGNRSBSEHT-ONGXEEELSA-N 2 2 347.228 2.323 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206197258 797319899 /nfs/dbraw/zinc/31/98/99/797319899.db2.gz HNHHQBOWXLTBMK-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206197258 797319905 /nfs/dbraw/zinc/31/99/05/797319905.db2.gz HNHHQBOWXLTBMK-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000183407801 464860793 /nfs/dbraw/zinc/86/07/93/464860793.db2.gz JDSFBYWRTJDQOE-MRXNPFEDSA-N 2 2 341.459 2.045 20 10 EECDLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469048 1294126167 /nfs/dbraw/zinc/12/61/67/1294126167.db2.gz OEBZWWVISJWBLS-BNOWGMLFSA-N 2 2 335.423 2.009 20 10 EECDLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469048 1294126171 /nfs/dbraw/zinc/12/61/71/1294126171.db2.gz OEBZWWVISJWBLS-BNOWGMLFSA-N 2 2 335.423 2.009 20 10 EECDLP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC001139409597 1314740828 /nfs/dbraw/zinc/74/08/28/1314740828.db2.gz MUJUXIXFEYILTH-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC001139409597 1314740832 /nfs/dbraw/zinc/74/08/32/1314740832.db2.gz MUJUXIXFEYILTH-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP Oc1ccc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001141160085 1315051443 /nfs/dbraw/zinc/05/14/43/1315051443.db2.gz PVGVNFFMMKTXQP-HZPDHXFCSA-N 2 2 325.412 2.057 20 10 EECDLP COc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001203591252 1321918224 /nfs/dbraw/zinc/91/82/24/1321918224.db2.gz FJNVWJFGSRYZHC-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001203591252 1321918225 /nfs/dbraw/zinc/91/82/25/1321918225.db2.gz FJNVWJFGSRYZHC-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001203591252 1321918230 /nfs/dbraw/zinc/91/82/30/1321918230.db2.gz FJNVWJFGSRYZHC-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001203591252 1321918231 /nfs/dbraw/zinc/91/82/31/1321918231.db2.gz FJNVWJFGSRYZHC-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274004 1322100500 /nfs/dbraw/zinc/10/05/00/1322100500.db2.gz YDLYZBVHLRVZEL-LJQANCHMSA-N 2 2 334.460 2.421 20 10 EECDLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274004 1322100505 /nfs/dbraw/zinc/10/05/05/1322100505.db2.gz YDLYZBVHLRVZEL-LJQANCHMSA-N 2 2 334.460 2.421 20 10 EECDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274004 1322100509 /nfs/dbraw/zinc/10/05/09/1322100509.db2.gz YDLYZBVHLRVZEL-LJQANCHMSA-N 2 2 334.460 2.421 20 10 EECDLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274004 1322100513 /nfs/dbraw/zinc/10/05/13/1322100513.db2.gz YDLYZBVHLRVZEL-LJQANCHMSA-N 2 2 334.460 2.421 20 10 EECDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723872 1332583114 /nfs/dbraw/zinc/58/31/14/1332583114.db2.gz FKAUPDXRZVGROR-WBVHZDCISA-N 3 2 334.483 2.150 20 10 EECDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723872 1332583115 /nfs/dbraw/zinc/58/31/15/1332583115.db2.gz FKAUPDXRZVGROR-WBVHZDCISA-N 3 2 334.483 2.150 20 10 EECDLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000817939705 785086587 /nfs/dbraw/zinc/08/65/87/785086587.db2.gz AWXNPKJNLBTABL-KDOFPFPSSA-N 2 2 328.460 2.377 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1C ZINC001146773361 791475157 /nfs/dbraw/zinc/47/51/57/791475157.db2.gz XJWSTTLHWHYXNU-JKSUJKDBSA-N 2 2 344.459 2.273 20 10 EECDLP CC[C@H](COC)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000162833260 463541957 /nfs/dbraw/zinc/54/19/57/463541957.db2.gz WHMCNPHKOAORSD-QGZVFWFLSA-N 2 2 335.492 2.222 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277135998 463885129 /nfs/dbraw/zinc/88/51/29/463885129.db2.gz ISUXVWJVRAAGHI-GOSISDBHSA-N 2 2 346.519 2.127 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277135998 463885133 /nfs/dbraw/zinc/88/51/33/463885133.db2.gz ISUXVWJVRAAGHI-GOSISDBHSA-N 2 2 346.519 2.127 20 10 EECDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278330301 463963605 /nfs/dbraw/zinc/96/36/05/463963605.db2.gz ZDQCTSLSOGLRFQ-ZDUSSCGKSA-N 2 2 337.420 2.473 20 10 EECDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278330301 463963611 /nfs/dbraw/zinc/96/36/11/463963611.db2.gz ZDQCTSLSOGLRFQ-ZDUSSCGKSA-N 2 2 337.420 2.473 20 10 EECDLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000366459121 465740738 /nfs/dbraw/zinc/74/07/38/465740738.db2.gz WKERLSNCXCOPGH-PKOBYXMFSA-N 2 2 347.503 2.148 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCCC4)C3)cc2)CC1 ZINC000775669192 577442262 /nfs/dbraw/zinc/44/22/62/577442262.db2.gz UKFMTBDSNNOOOB-HXUWFJFHSA-N 2 2 328.504 2.109 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCCC4)C3)cc2)CC1 ZINC000775669192 577442263 /nfs/dbraw/zinc/44/22/63/577442263.db2.gz UKFMTBDSNNOOOB-HXUWFJFHSA-N 2 2 328.504 2.109 20 10 EECDLP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)cc(F)c1O ZINC000756550088 577846469 /nfs/dbraw/zinc/84/64/69/577846469.db2.gz QBDWIOQXDCALCR-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1O ZINC000756550088 577846470 /nfs/dbraw/zinc/84/64/70/577846470.db2.gz QBDWIOQXDCALCR-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210643 1198531705 /nfs/dbraw/zinc/53/17/05/1198531705.db2.gz MUCMRYDPZNZOFA-QGZVFWFLSA-N 3 2 330.501 2.249 20 10 EECDLP C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cn1cc[nH+]c1 ZINC000876985391 1199836813 /nfs/dbraw/zinc/83/68/13/1199836813.db2.gz ZHOGOWSXQVIXCC-INIZCTEOSA-N 2 2 328.460 2.270 20 10 EECDLP COCC[N@H+](C)CCC[NH2+]Cc1c(O)cccc1Br ZINC000858096873 1294005099 /nfs/dbraw/zinc/00/50/99/1294005099.db2.gz RAANMEYEWYNCOK-UHFFFAOYSA-N 2 2 331.254 2.213 20 10 EECDLP COCC[N@@H+](C)CCC[NH2+]Cc1c(O)cccc1Br ZINC000858096873 1294005105 /nfs/dbraw/zinc/00/51/05/1294005105.db2.gz RAANMEYEWYNCOK-UHFFFAOYSA-N 2 2 331.254 2.213 20 10 EECDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001276861811 1299970609 /nfs/dbraw/zinc/97/06/09/1299970609.db2.gz SQUAXKNEXLDLSB-ALOPSCKCSA-N 3 2 333.476 2.177 20 10 EECDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001276861811 1299970613 /nfs/dbraw/zinc/97/06/13/1299970613.db2.gz SQUAXKNEXLDLSB-ALOPSCKCSA-N 3 2 333.476 2.177 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c(F)c2)CC1 ZINC001237413076 1305924330 /nfs/dbraw/zinc/92/43/30/1305924330.db2.gz IWZRAAIIVGUHPL-YLJYHZDGSA-N 3 2 346.494 2.151 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c(F)c2)CC1 ZINC001237413076 1305924333 /nfs/dbraw/zinc/92/43/33/1305924333.db2.gz IWZRAAIIVGUHPL-YLJYHZDGSA-N 3 2 346.494 2.151 20 10 EECDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)cccc3O)C2)C1 ZINC001237485752 1305955043 /nfs/dbraw/zinc/95/50/43/1305955043.db2.gz LQLCXKXESFXLLJ-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3c(C)cccc3O)C2)C1 ZINC001237485752 1305955050 /nfs/dbraw/zinc/95/50/50/1305955050.db2.gz LQLCXKXESFXLLJ-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1 ZINC001237485752 1305955051 /nfs/dbraw/zinc/95/50/51/1305955051.db2.gz LQLCXKXESFXLLJ-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3c(C)cccc3O)C2)C1 ZINC001237485752 1305955057 /nfs/dbraw/zinc/95/50/57/1305955057.db2.gz LQLCXKXESFXLLJ-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206640312 1316491695 /nfs/dbraw/zinc/49/16/95/1316491695.db2.gz IOPXMAUTUAPVKZ-SNVBAGLBSA-N 2 2 329.238 2.421 20 10 EECDLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206640312 1316491691 /nfs/dbraw/zinc/49/16/91/1316491691.db2.gz IOPXMAUTUAPVKZ-SNVBAGLBSA-N 2 2 329.238 2.421 20 10 EECDLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978789 1349090964 /nfs/dbraw/zinc/09/09/64/1349090964.db2.gz QHGZYVDDKNXGGH-CYBMUJFWSA-N 2 2 344.463 2.345 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cscn3)CC2)cc1 ZINC000121588803 463163237 /nfs/dbraw/zinc/16/32/37/463163237.db2.gz VGERUEIWIQORAI-UHFFFAOYSA-N 2 2 346.500 2.454 20 10 EECDLP COc1c(O)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000278941477 464010293 /nfs/dbraw/zinc/01/02/93/464010293.db2.gz XWPAOZZQIURLRP-NSHDSACASA-N 2 2 334.376 2.240 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ncon3)cc2)CC1 ZINC000775671083 577442305 /nfs/dbraw/zinc/44/23/05/577442305.db2.gz UHCCPHGSFATNCL-QGZVFWFLSA-N 2 2 327.432 2.159 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ncon3)cc2)CC1 ZINC000775671083 577442306 /nfs/dbraw/zinc/44/23/06/577442306.db2.gz UHCCPHGSFATNCL-QGZVFWFLSA-N 2 2 327.432 2.159 20 10 EECDLP CCC[C@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010193 577798548 /nfs/dbraw/zinc/79/85/48/577798548.db2.gz NMEPSAVPDVJBEP-PKOBYXMFSA-N 2 2 349.519 2.299 20 10 EECDLP CCC[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010193 577798549 /nfs/dbraw/zinc/79/85/49/577798549.db2.gz NMEPSAVPDVJBEP-PKOBYXMFSA-N 2 2 349.519 2.299 20 10 EECDLP COc1ccc([N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1 ZINC001274791980 1205169475 /nfs/dbraw/zinc/16/94/75/1205169475.db2.gz XMZKFSVKRDGHHC-FQEVSTJZSA-N 2 2 345.487 2.466 20 10 EECDLP COc1ccc([N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1 ZINC001274791980 1205169476 /nfs/dbraw/zinc/16/94/76/1205169476.db2.gz XMZKFSVKRDGHHC-FQEVSTJZSA-N 2 2 345.487 2.466 20 10 EECDLP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000796275989 1215692052 /nfs/dbraw/zinc/69/20/52/1215692052.db2.gz QZNOOUDTZOSQSZ-UHFFFAOYSA-N 2 2 346.500 2.331 20 10 EECDLP Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218954655 1297881028 /nfs/dbraw/zinc/88/10/28/1297881028.db2.gz DWWNLSQFWWATEX-SFHVURJKSA-N 2 2 335.411 2.095 20 10 EECDLP Oc1c(C[N@H+]2CCc3[nH+]ccn3CC2)cc2c3c1CCCN3CCC2 ZINC001138339774 1314602185 /nfs/dbraw/zinc/60/21/85/1314602185.db2.gz KGOXZEHRWHQRCJ-UHFFFAOYSA-N 2 2 338.455 2.346 20 10 EECDLP Oc1c(C[N@@H+]2CCc3[nH+]ccn3CC2)cc2c3c1CCCN3CCC2 ZINC001138339774 1314602189 /nfs/dbraw/zinc/60/21/89/1314602189.db2.gz KGOXZEHRWHQRCJ-UHFFFAOYSA-N 2 2 338.455 2.346 20 10 EECDLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](n2cncn2)C1 ZINC001327839631 1334353259 /nfs/dbraw/zinc/35/32/59/1334353259.db2.gz JOVQQEAAKUXBLH-OAOYMFHYSA-N 2 2 342.491 2.363 20 10 EECDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368133061 466581914 /nfs/dbraw/zinc/58/19/14/466581914.db2.gz ICUNEPBEOBLLLF-QGZVFWFLSA-N 2 2 326.444 2.246 20 10 EECDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368133061 466581920 /nfs/dbraw/zinc/58/19/20/466581920.db2.gz ICUNEPBEOBLLLF-QGZVFWFLSA-N 2 2 326.444 2.246 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)C)CC2)cc1 ZINC000754001086 577798288 /nfs/dbraw/zinc/79/82/88/577798288.db2.gz XYGZAOLBXWNVHU-HKUYNNGSSA-N 2 2 349.519 2.154 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)C)CC2)cc1 ZINC000754001086 577798289 /nfs/dbraw/zinc/79/82/89/577798289.db2.gz XYGZAOLBXWNVHU-HKUYNNGSSA-N 2 2 349.519 2.154 20 10 EECDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248458 676242625 /nfs/dbraw/zinc/24/26/25/676242625.db2.gz MXTBRKRARYWWEA-KSSFIOAISA-N 2 2 343.475 2.073 20 10 EECDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248458 676242628 /nfs/dbraw/zinc/24/26/28/676242628.db2.gz MXTBRKRARYWWEA-KSSFIOAISA-N 2 2 343.475 2.073 20 10 EECDLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3O)C2)C1 ZINC001275266577 1205294006 /nfs/dbraw/zinc/29/40/06/1205294006.db2.gz AZSMBRLTMJWTFE-HXUWFJFHSA-N 2 2 345.487 2.158 20 10 EECDLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3O)C2)C1 ZINC001275266577 1205294007 /nfs/dbraw/zinc/29/40/07/1205294007.db2.gz AZSMBRLTMJWTFE-HXUWFJFHSA-N 2 2 345.487 2.158 20 10 EECDLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001275266577 1205294008 /nfs/dbraw/zinc/29/40/08/1205294008.db2.gz AZSMBRLTMJWTFE-HXUWFJFHSA-N 2 2 345.487 2.158 20 10 EECDLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC001275266577 1205294010 /nfs/dbraw/zinc/29/40/10/1205294010.db2.gz AZSMBRLTMJWTFE-HXUWFJFHSA-N 2 2 345.487 2.158 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000925775844 1206153001 /nfs/dbraw/zinc/15/30/01/1206153001.db2.gz BECQFVGKOROYLO-DNVCBOLYSA-N 2 2 344.503 2.009 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238859 1305541401 /nfs/dbraw/zinc/54/14/01/1305541401.db2.gz HMJHIVGKORAOQB-HXUWFJFHSA-N 3 2 328.504 2.155 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238859 1305541404 /nfs/dbraw/zinc/54/14/04/1305541404.db2.gz HMJHIVGKORAOQB-HXUWFJFHSA-N 3 2 328.504 2.155 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237393058 1305916462 /nfs/dbraw/zinc/91/64/62/1305916462.db2.gz QWVIBFJNQOUGRF-BBRMVZONSA-N 2 2 328.412 2.381 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237393058 1305916464 /nfs/dbraw/zinc/91/64/64/1305916464.db2.gz QWVIBFJNQOUGRF-BBRMVZONSA-N 2 2 328.412 2.381 20 10 EECDLP COc1ccc(O)c(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001203671926 1321937430 /nfs/dbraw/zinc/93/74/30/1321937430.db2.gz ZOWPANGKKFPCNL-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001203671926 1321937431 /nfs/dbraw/zinc/93/74/31/1321937431.db2.gz ZOWPANGKKFPCNL-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001203671926 1321937433 /nfs/dbraw/zinc/93/74/33/1321937433.db2.gz ZOWPANGKKFPCNL-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001203671926 1321937435 /nfs/dbraw/zinc/93/74/35/1321937435.db2.gz ZOWPANGKKFPCNL-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204810704 1322230100 /nfs/dbraw/zinc/23/01/00/1322230100.db2.gz YRFUHMZJHYEHHA-GOSISDBHSA-N 2 2 336.432 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204810704 1322230101 /nfs/dbraw/zinc/23/01/01/1322230101.db2.gz YRFUHMZJHYEHHA-GOSISDBHSA-N 2 2 336.432 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205202317 1322311923 /nfs/dbraw/zinc/31/19/23/1322311923.db2.gz PVPFOEUKHRWEBJ-CZUORRHYSA-N 2 2 336.432 2.036 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205202317 1322311929 /nfs/dbraw/zinc/31/19/29/1322311929.db2.gz PVPFOEUKHRWEBJ-CZUORRHYSA-N 2 2 336.432 2.036 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2)CC1 ZINC001206173748 1323414096 /nfs/dbraw/zinc/41/40/96/1323414096.db2.gz JVQGEQNUPHDGNA-RBUKOAKNSA-N 3 2 334.483 2.090 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)cc2)CC1 ZINC001206173748 1323414100 /nfs/dbraw/zinc/41/41/00/1323414100.db2.gz JVQGEQNUPHDGNA-RBUKOAKNSA-N 3 2 334.483 2.090 20 10 EECDLP C[C@@H]1CCN(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318805655 1332601774 /nfs/dbraw/zinc/60/17/74/1332601774.db2.gz PJIJKRXPPGBWNW-MRXNPFEDSA-N 2 2 334.483 2.009 20 10 EECDLP C[C@@H]1CC[N@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318805655 1332601775 /nfs/dbraw/zinc/60/17/75/1332601775.db2.gz PJIJKRXPPGBWNW-MRXNPFEDSA-N 2 2 334.483 2.009 20 10 EECDLP C[C@@H]1CC[N@@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318805655 1332601777 /nfs/dbraw/zinc/60/17/77/1332601777.db2.gz PJIJKRXPPGBWNW-MRXNPFEDSA-N 2 2 334.483 2.009 20 10 EECDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621855 1372621869 /nfs/dbraw/zinc/62/18/69/1372621869.db2.gz SAIICCBVRJGFQS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621855 1372621873 /nfs/dbraw/zinc/62/18/73/1372621873.db2.gz SAIICCBVRJGFQS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621855 1372621878 /nfs/dbraw/zinc/62/18/78/1372621878.db2.gz SAIICCBVRJGFQS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621855 1372621882 /nfs/dbraw/zinc/62/18/82/1372621882.db2.gz SAIICCBVRJGFQS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817890767 785025003 /nfs/dbraw/zinc/02/50/03/785025003.db2.gz YMPINXSORMYQPJ-WDYCEAGBSA-N 2 2 344.503 2.009 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817894151 785049811 /nfs/dbraw/zinc/04/98/11/785049811.db2.gz KFGNMWBQGOSLQR-KSSFIOAISA-N 2 2 335.467 2.407 20 10 EECDLP CC(C)N1CC[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336976 788577951 /nfs/dbraw/zinc/57/79/51/788577951.db2.gz BMJNVTXCOZWLMH-FQEVSTJZSA-N 2 2 330.520 2.353 20 10 EECDLP CC(C)N1CC[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336976 788577959 /nfs/dbraw/zinc/57/79/59/788577959.db2.gz BMJNVTXCOZWLMH-FQEVSTJZSA-N 2 2 330.520 2.353 20 10 EECDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1F ZINC001206200445 797449117 /nfs/dbraw/zinc/44/91/17/797449117.db2.gz RQTULKKFWURPMJ-WDEREUQCSA-N 2 2 333.201 2.122 20 10 EECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1F ZINC001206200445 797449120 /nfs/dbraw/zinc/44/91/20/797449120.db2.gz RQTULKKFWURPMJ-WDEREUQCSA-N 2 2 333.201 2.122 20 10 EECDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000072823549 463549741 /nfs/dbraw/zinc/54/97/41/463549741.db2.gz SXXMPXIHNOFPRK-SFHVURJKSA-N 2 2 346.519 2.033 20 10 EECDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000072823549 463549745 /nfs/dbraw/zinc/54/97/45/463549745.db2.gz SXXMPXIHNOFPRK-SFHVURJKSA-N 2 2 346.519 2.033 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561309 464719372 /nfs/dbraw/zinc/71/93/72/464719372.db2.gz ICJMJSABPRZCFT-CJNGLKHVSA-N 2 2 337.439 2.125 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000366459117 465740534 /nfs/dbraw/zinc/74/05/34/465740534.db2.gz WKERLSNCXCOPGH-MJGOQNOKSA-N 2 2 347.503 2.148 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243893 1299435085 /nfs/dbraw/zinc/43/50/85/1299435085.db2.gz QOBAJFVILCIHHK-HXUWFJFHSA-N 3 2 328.504 2.156 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243893 1299435091 /nfs/dbraw/zinc/43/50/91/1299435091.db2.gz QOBAJFVILCIHHK-HXUWFJFHSA-N 3 2 328.504 2.156 20 10 EECDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(C)c3O)C2)C1 ZINC001231591590 1303859097 /nfs/dbraw/zinc/85/90/97/1303859097.db2.gz HCKPJKFLQJSFPL-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccc(C)c3O)C2)C1 ZINC001231591590 1303859104 /nfs/dbraw/zinc/85/91/04/1303859104.db2.gz HCKPJKFLQJSFPL-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccc(C)c3O)C2)C1 ZINC001231591590 1303859110 /nfs/dbraw/zinc/85/91/10/1303859110.db2.gz HCKPJKFLQJSFPL-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccc(C)c3O)C2)C1 ZINC001231591590 1303859118 /nfs/dbraw/zinc/85/91/18/1303859118.db2.gz HCKPJKFLQJSFPL-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COc1cc(N(C)C)ccc1C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001231852363 1303930968 /nfs/dbraw/zinc/93/09/68/1303930968.db2.gz JRNPJAUBOKSAQE-UHFFFAOYSA-N 2 2 346.475 2.391 20 10 EECDLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779947 1305384974 /nfs/dbraw/zinc/38/49/74/1305384974.db2.gz YWYDZWWBOBJTIS-CVEARBPZSA-N 2 2 341.455 2.228 20 10 EECDLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779947 1305384988 /nfs/dbraw/zinc/38/49/88/1305384988.db2.gz YWYDZWWBOBJTIS-CVEARBPZSA-N 2 2 341.455 2.228 20 10 EECDLP CC[NH+]1CCC([N@H+](C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256952 1314722069 /nfs/dbraw/zinc/72/20/69/1314722069.db2.gz NKCYGALRCFDRLE-UHFFFAOYSA-N 3 2 335.492 2.379 20 10 EECDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256952 1314722072 /nfs/dbraw/zinc/72/20/72/1314722072.db2.gz NKCYGALRCFDRLE-UHFFFAOYSA-N 3 2 335.492 2.379 20 10 EECDLP COC(=O)c1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841041714 1315461376 /nfs/dbraw/zinc/46/13/76/1315461376.db2.gz AOEUYJWPOHBWSV-SFHVURJKSA-N 2 2 327.428 2.329 20 10 EECDLP COc1ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001203628597 1321927320 /nfs/dbraw/zinc/92/73/20/1321927320.db2.gz DKKUSWGASXQMQB-UHFFFAOYSA-N 2 2 334.460 2.476 20 10 EECDLP COc1ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c(O)c1 ZINC001203628597 1321927323 /nfs/dbraw/zinc/92/73/23/1321927323.db2.gz DKKUSWGASXQMQB-UHFFFAOYSA-N 2 2 334.460 2.476 20 10 EECDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852282 1334727151 /nfs/dbraw/zinc/72/71/51/1334727151.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 3 2 348.510 2.350 20 10 EECDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852282 1334727156 /nfs/dbraw/zinc/72/71/56/1334727156.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 3 2 348.510 2.350 20 10 EECDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817889664 785023738 /nfs/dbraw/zinc/02/37/38/785023738.db2.gz UQQQZUZDNSXLPD-NVXWUHKLSA-N 2 2 335.517 2.096 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nccc(C(F)F)n3)cc2)CC1 ZINC000808434972 812635758 /nfs/dbraw/zinc/63/57/58/812635758.db2.gz GVROXHQYHMZOCI-UHFFFAOYSA-N 2 2 347.413 2.456 20 10 EECDLP COc1ccc(O)c(C[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1 ZINC000271753129 464371663 /nfs/dbraw/zinc/37/16/63/464371663.db2.gz WFZAIRSHPUZRMB-UHFFFAOYSA-N 2 2 335.473 2.400 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)CCC(C)C)CC2)cc1 ZINC000754013000 577798589 /nfs/dbraw/zinc/79/85/89/577798589.db2.gz PFUVBUXODRHENH-LJQANCHMSA-N 2 2 349.519 2.156 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)CCC(C)C)CC2)cc1 ZINC000754013000 577798590 /nfs/dbraw/zinc/79/85/90/577798590.db2.gz PFUVBUXODRHENH-LJQANCHMSA-N 2 2 349.519 2.156 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)c(OC)c1 ZINC000904384823 694382945 /nfs/dbraw/zinc/38/29/45/694382945.db2.gz ORXPVALHZIOQBD-LJQANCHMSA-N 2 2 333.476 2.216 20 10 EECDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)c(O)cc1O ZINC001232261716 1304057037 /nfs/dbraw/zinc/05/70/37/1304057037.db2.gz MWSMLDBYOZBQGX-UHFFFAOYSA-N 2 2 344.839 2.068 20 10 EECDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)c(O)cc1O ZINC001232261716 1304057043 /nfs/dbraw/zinc/05/70/43/1304057043.db2.gz MWSMLDBYOZBQGX-UHFFFAOYSA-N 2 2 344.839 2.068 20 10 EECDLP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CC[NH+](C)CC1 ZINC001139256439 1314722023 /nfs/dbraw/zinc/72/20/23/1314722023.db2.gz BGDAFXMARIDGRU-UHFFFAOYSA-N 3 2 335.492 2.379 20 10 EECDLP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CC[NH+](C)CC1 ZINC001139256439 1314722027 /nfs/dbraw/zinc/72/20/27/1314722027.db2.gz BGDAFXMARIDGRU-UHFFFAOYSA-N 3 2 335.492 2.379 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000841044885 1315462055 /nfs/dbraw/zinc/46/20/55/1315462055.db2.gz ZPKOSQDRTLAZJI-IBGZPJMESA-N 2 2 336.443 2.123 20 10 EECDLP CCCC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001252108992 1317556689 /nfs/dbraw/zinc/55/66/89/1317556689.db2.gz UTBSUNUXEZVXJY-IBGZPJMESA-N 2 2 349.519 2.348 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]/C(C)=C/C=C/N)CC2)cc1 ZINC001164333659 1321354100 /nfs/dbraw/zinc/35/41/00/1321354100.db2.gz BHOXBAFFSCMOFQ-KKHCNQRUSA-N 2 2 330.476 2.173 20 10 EECDLP O=C(C[NH2+]Cc1cccc(Cl)c1O)NCC[NH+]1CCCCCC1 ZINC000816620953 784156369 /nfs/dbraw/zinc/15/63/69/784156369.db2.gz SHZROUKWDKEDMH-UHFFFAOYSA-N 2 2 339.867 2.127 20 10 EECDLP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(F)c1O ZINC000187698840 464151401 /nfs/dbraw/zinc/15/14/01/464151401.db2.gz DYHPMRKHWTWCIG-QWHCGFSZSA-N 2 2 327.419 2.205 20 10 EECDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279856458 464157087 /nfs/dbraw/zinc/15/70/87/464157087.db2.gz IQJTZDKGJKAXNR-UHFFFAOYSA-N 2 2 333.398 2.175 20 10 EECDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000279856458 464157093 /nfs/dbraw/zinc/15/70/93/464157093.db2.gz IQJTZDKGJKAXNR-UHFFFAOYSA-N 2 2 333.398 2.175 20 10 EECDLP Oc1ccc(F)cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000293524389 464408974 /nfs/dbraw/zinc/40/89/74/464408974.db2.gz BGAJRUOQHSTKTJ-GOSISDBHSA-N 2 2 330.403 2.040 20 10 EECDLP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093665023 528664351 /nfs/dbraw/zinc/66/43/51/528664351.db2.gz KEEXLWVPYGBPTK-MRXNPFEDSA-N 2 2 334.460 2.335 20 10 EECDLP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093665023 528664356 /nfs/dbraw/zinc/66/43/56/528664356.db2.gz KEEXLWVPYGBPTK-MRXNPFEDSA-N 2 2 334.460 2.335 20 10 EECDLP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)Cn1cc[nH+]c1 ZINC000771818919 577232474 /nfs/dbraw/zinc/23/24/74/577232474.db2.gz NSQOYXIZAFWYHJ-KRWDZBQOSA-N 3 2 327.476 2.061 20 10 EECDLP CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642359 577441569 /nfs/dbraw/zinc/44/15/69/577441569.db2.gz FURTYPUTAVIRSY-IBGZPJMESA-N 2 2 345.487 2.356 20 10 EECDLP CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642359 577441570 /nfs/dbraw/zinc/44/15/70/577441570.db2.gz FURTYPUTAVIRSY-IBGZPJMESA-N 2 2 345.487 2.356 20 10 EECDLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754168859 577801627 /nfs/dbraw/zinc/80/16/27/577801627.db2.gz LOVHQEYVNGKWBG-LNLFQRSKSA-N 2 2 349.519 2.202 20 10 EECDLP CN(C)c1ccc([C@@H](CNc2cc(N(C)C)[nH+]cn2)[NH+](C)C)cc1 ZINC000897521099 690835876 /nfs/dbraw/zinc/83/58/76/690835876.db2.gz CHPMHVRTEUWSMO-MRXNPFEDSA-N 2 2 328.464 2.323 20 10 EECDLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c(O)c1 ZINC001276168219 1205811087 /nfs/dbraw/zinc/81/10/87/1205811087.db2.gz CQYXULDIIBGQEG-ROUUACIJSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c(O)c1 ZINC001276168219 1205811089 /nfs/dbraw/zinc/81/10/89/1205811089.db2.gz CQYXULDIIBGQEG-ROUUACIJSA-N 2 2 326.444 2.246 20 10 EECDLP CC[C@@H]1COC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000924579636 1205998782 /nfs/dbraw/zinc/99/87/82/1205998782.db2.gz MEAJKXUOEJBQDY-YLJYHZDGSA-N 2 2 347.503 2.222 20 10 EECDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858224298 1294051734 /nfs/dbraw/zinc/05/17/34/1294051734.db2.gz AVXQHVPWAHBRAT-IBGZPJMESA-N 2 2 344.503 2.106 20 10 EECDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000858224298 1294051745 /nfs/dbraw/zinc/05/17/45/1294051745.db2.gz AVXQHVPWAHBRAT-IBGZPJMESA-N 2 2 344.503 2.106 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3COC(C)(C)C3)CC2)cc1 ZINC000841854191 1315624282 /nfs/dbraw/zinc/62/42/82/1315624282.db2.gz MINSZLOUNWAYPX-KRWDZBQOSA-N 2 2 347.503 2.364 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)C(C)(C)C)CC2)cc1 ZINC000818943601 1326104549 /nfs/dbraw/zinc/10/45/49/1326104549.db2.gz WMACOABQAPZQTA-LJQANCHMSA-N 2 2 349.519 2.204 20 10 EECDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000298290135 465356277 /nfs/dbraw/zinc/35/62/77/465356277.db2.gz XNSURPJBTRWYNJ-UHFFFAOYSA-N 2 2 346.519 2.173 20 10 EECDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000298290135 465356281 /nfs/dbraw/zinc/35/62/81/465356281.db2.gz XNSURPJBTRWYNJ-UHFFFAOYSA-N 2 2 346.519 2.173 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@@H](C)OC)CC2)cc1 ZINC000268737572 463788761 /nfs/dbraw/zinc/78/87/61/463788761.db2.gz OTMMCQYMSMYBDG-IAGOWNOFSA-N 2 2 335.492 2.220 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561310 464720234 /nfs/dbraw/zinc/72/02/34/464720234.db2.gz ICJMJSABPRZCFT-CZUORRHYSA-N 2 2 337.439 2.125 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nnc(C)s3)cc2F)CC1 ZINC000892904789 683187308 /nfs/dbraw/zinc/18/73/08/683187308.db2.gz COMTULKMHJAWPF-UHFFFAOYSA-N 2 2 349.479 2.417 20 10 EECDLP Oc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952767 1205600393 /nfs/dbraw/zinc/60/03/93/1205600393.db2.gz MRMHBUIXSXBFJT-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952767 1205600394 /nfs/dbraw/zinc/60/03/94/1205600394.db2.gz MRMHBUIXSXBFJT-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952767 1205600397 /nfs/dbraw/zinc/60/03/97/1205600397.db2.gz MRMHBUIXSXBFJT-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952767 1205600398 /nfs/dbraw/zinc/60/03/98/1205600398.db2.gz MRMHBUIXSXBFJT-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP c1ccc(COC2C[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235694247 1305336417 /nfs/dbraw/zinc/33/64/17/1305336417.db2.gz PMIJXYHREWSYII-UHFFFAOYSA-N 2 2 337.467 2.497 20 10 EECDLP Fc1ccc(OC2C[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)C2)cc1 ZINC001235959509 1305456884 /nfs/dbraw/zinc/45/68/84/1305456884.db2.gz WTPDDVGYQSLAGF-UHFFFAOYSA-N 2 2 341.430 2.499 20 10 EECDLP COc1ccc(N2CC[NH+](CC[C@H]3COC(C)(C)[NH2+]3)CC2)c(C)c1 ZINC001236366867 1305569981 /nfs/dbraw/zinc/56/99/81/1305569981.db2.gz HYAPQHMVNHENDF-INIZCTEOSA-N 2 2 333.476 2.240 20 10 EECDLP CCCN1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118422996 1306369083 /nfs/dbraw/zinc/36/90/83/1306369083.db2.gz AGAFASKIVJDURM-QGZVFWFLSA-N 2 2 334.483 2.151 20 10 EECDLP CCC[N@@H+]1CC[C@@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118422996 1306369098 /nfs/dbraw/zinc/36/90/98/1306369098.db2.gz AGAFASKIVJDURM-QGZVFWFLSA-N 2 2 334.483 2.151 20 10 EECDLP CCC[N@H+]1CC[C@@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118422996 1306369113 /nfs/dbraw/zinc/36/91/13/1306369113.db2.gz AGAFASKIVJDURM-QGZVFWFLSA-N 2 2 334.483 2.151 20 10 EECDLP CCOC(=O)C1CCC([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000841045723 1315462234 /nfs/dbraw/zinc/46/22/34/1315462234.db2.gz OXUBMXBWFZEVBU-HTWSVDAQSA-N 2 2 333.476 2.464 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)cc1Br ZINC001206197262 797320134 /nfs/dbraw/zinc/32/01/34/797320134.db2.gz HNHHQBOWXLTBMK-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(O)cc1Br ZINC001206197262 797320140 /nfs/dbraw/zinc/32/01/40/797320140.db2.gz HNHHQBOWXLTBMK-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590257 464722201 /nfs/dbraw/zinc/72/22/01/464722201.db2.gz OWZNSCVOVBRDKP-DGCLKSJQSA-N 2 2 342.281 2.051 20 10 EECDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590257 464722204 /nfs/dbraw/zinc/72/22/04/464722204.db2.gz OWZNSCVOVBRDKP-DGCLKSJQSA-N 2 2 342.281 2.051 20 10 EECDLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756413166 577843676 /nfs/dbraw/zinc/84/36/76/577843676.db2.gz YAWOGTXNVBVFFZ-OLZOCXBDSA-N 2 2 327.419 2.347 20 10 EECDLP COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1O ZINC000895192864 684273311 /nfs/dbraw/zinc/27/33/11/684273311.db2.gz OTNONJBXPWZYOO-QGZVFWFLSA-N 2 2 334.460 2.396 20 10 EECDLP COc1cc(C)cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1O ZINC000895192864 684273317 /nfs/dbraw/zinc/27/33/17/684273317.db2.gz OTNONJBXPWZYOO-QGZVFWFLSA-N 2 2 334.460 2.396 20 10 EECDLP Oc1cc(Cl)c(Cl)cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511149 1299646015 /nfs/dbraw/zinc/64/60/15/1299646015.db2.gz QILDJRMSJFLTOO-KBPBESRZSA-N 2 2 330.259 2.225 20 10 EECDLP Oc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233483654 1304477728 /nfs/dbraw/zinc/47/77/28/1304477728.db2.gz HETULRHEIYNSKQ-KBPBESRZSA-N 2 2 346.452 2.429 20 10 EECDLP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC1=O ZINC001236930585 1305734690 /nfs/dbraw/zinc/73/46/90/1305734690.db2.gz DPYIQYDEVHNSTF-HNNXBMFYSA-N 2 2 333.451 2.379 20 10 EECDLP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC1=O ZINC001236930585 1305734696 /nfs/dbraw/zinc/73/46/96/1305734696.db2.gz DPYIQYDEVHNSTF-HNNXBMFYSA-N 2 2 333.451 2.379 20 10 EECDLP COc1cccnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325132712 1333835149 /nfs/dbraw/zinc/83/51/49/1333835149.db2.gz OJSCOUHVFDVIDC-UHFFFAOYSA-N 2 2 344.434 2.271 20 10 EECDLP CC[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817895138 785051927 /nfs/dbraw/zinc/05/19/27/785051927.db2.gz RGXIQUVNKLMYNL-ROUUACIJSA-N 2 2 335.467 2.407 20 10 EECDLP COCC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000162832293 463542651 /nfs/dbraw/zinc/54/26/51/463542651.db2.gz PEGMWMUHNLUEPB-QGZVFWFLSA-N 2 2 335.492 2.222 20 10 EECDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316752 463961424 /nfs/dbraw/zinc/96/14/24/463961424.db2.gz XLZUKXIWDQBHSL-ZDUSSCGKSA-N 2 2 337.420 2.473 20 10 EECDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316752 463961428 /nfs/dbraw/zinc/96/14/28/463961428.db2.gz XLZUKXIWDQBHSL-ZDUSSCGKSA-N 2 2 337.420 2.473 20 10 EECDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000883049154 1202003128 /nfs/dbraw/zinc/00/31/28/1202003128.db2.gz FZVPBVHPQPKIJH-HOTGVXAUSA-N 2 2 326.387 2.138 20 10 EECDLP Oc1ccc(F)cc1C[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275913764 1205583333 /nfs/dbraw/zinc/58/33/33/1205583333.db2.gz QWGLHIDKYLNYQN-UHFFFAOYSA-N 2 2 344.434 2.326 20 10 EECDLP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c(O)c1 ZINC001276168869 1205811319 /nfs/dbraw/zinc/81/13/19/1205811319.db2.gz KTCXUNMTGDMEBL-HDICACEKSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c(O)c1 ZINC001276168869 1205811321 /nfs/dbraw/zinc/81/13/21/1205811321.db2.gz KTCXUNMTGDMEBL-HDICACEKSA-N 2 2 326.444 2.246 20 10 EECDLP CC[NH+](CC)CCN1CC[NH+](Cc2c(O)ccc(F)c2F)CC1 ZINC001233331868 1304435466 /nfs/dbraw/zinc/43/54/66/1304435466.db2.gz NYCBGBUKRCHJGR-UHFFFAOYSA-N 2 2 327.419 2.130 20 10 EECDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943044 1305741689 /nfs/dbraw/zinc/74/16/89/1305741689.db2.gz PEXWQGFUXDWQOB-FQEVSTJZSA-N 3 2 346.494 2.105 20 10 EECDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943044 1305741701 /nfs/dbraw/zinc/74/17/01/1305741701.db2.gz PEXWQGFUXDWQOB-FQEVSTJZSA-N 3 2 346.494 2.105 20 10 EECDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943044 1305741710 /nfs/dbraw/zinc/74/17/10/1305741710.db2.gz PEXWQGFUXDWQOB-FQEVSTJZSA-N 3 2 346.494 2.105 20 10 EECDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943044 1305741721 /nfs/dbraw/zinc/74/17/21/1305741721.db2.gz PEXWQGFUXDWQOB-FQEVSTJZSA-N 3 2 346.494 2.105 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001139125244 1314707272 /nfs/dbraw/zinc/70/72/72/1314707272.db2.gz BLUXORMHUAIXLC-KGLIPLIRSA-N 2 2 328.412 2.191 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001139125244 1314707275 /nfs/dbraw/zinc/70/72/75/1314707275.db2.gz BLUXORMHUAIXLC-KGLIPLIRSA-N 2 2 328.412 2.191 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139125244 1314707278 /nfs/dbraw/zinc/70/72/78/1314707278.db2.gz BLUXORMHUAIXLC-KGLIPLIRSA-N 2 2 328.412 2.191 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001139125244 1314707280 /nfs/dbraw/zinc/70/72/80/1314707280.db2.gz BLUXORMHUAIXLC-KGLIPLIRSA-N 2 2 328.412 2.191 20 10 EECDLP COc1cc(O)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(OC)c1 ZINC001141034983 1315022669 /nfs/dbraw/zinc/02/26/69/1315022669.db2.gz YBTIANAXRULLIJ-UHFFFAOYSA-N 2 2 349.431 2.039 20 10 EECDLP CN(C)c1ccc(CN(C)c2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1 ZINC001156920680 1318288891 /nfs/dbraw/zinc/28/88/91/1318288891.db2.gz HXGCJMFBSMSCHI-UHFFFAOYSA-N 2 2 325.460 2.194 20 10 EECDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001345944574 1337476612 /nfs/dbraw/zinc/47/66/12/1337476612.db2.gz RTMTZCGHNUZDTE-QGZVFWFLSA-N 3 2 334.483 2.009 20 10 EECDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001345944574 1337476615 /nfs/dbraw/zinc/47/66/15/1337476615.db2.gz RTMTZCGHNUZDTE-QGZVFWFLSA-N 3 2 334.483 2.009 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961579 1349082178 /nfs/dbraw/zinc/08/21/78/1349082178.db2.gz ROLLZMXTJLNENG-KGLIPLIRSA-N 2 2 344.463 2.487 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961579 1349082185 /nfs/dbraw/zinc/08/21/85/1349082185.db2.gz ROLLZMXTJLNENG-KGLIPLIRSA-N 2 2 344.463 2.487 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000691461521 1371205678 /nfs/dbraw/zinc/20/56/78/1371205678.db2.gz IQJFRDZNCKVRHY-UONOGXRCSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000691461521 1371205682 /nfs/dbraw/zinc/20/56/82/1371205682.db2.gz IQJFRDZNCKVRHY-UONOGXRCSA-N 2 2 341.249 2.108 20 10 EECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000817984532 785133397 /nfs/dbraw/zinc/13/33/97/785133397.db2.gz ZOHLNWDAZWCCHU-PWSUYJOCSA-N 2 2 329.238 2.102 20 10 EECDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220565 788911467 /nfs/dbraw/zinc/91/14/67/788911467.db2.gz ICSQTJRONYGNEL-SFHVURJKSA-N 2 2 334.508 2.016 20 10 EECDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220565 788911472 /nfs/dbraw/zinc/91/14/72/788911472.db2.gz ICSQTJRONYGNEL-SFHVURJKSA-N 2 2 334.508 2.016 20 10 EECDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(O)cc1Br ZINC001205124378 795387426 /nfs/dbraw/zinc/38/74/26/795387426.db2.gz POVYSFOMIPRWCJ-LLVKDONJSA-N 2 2 329.238 2.477 20 10 EECDLP COc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(O)cc1Br ZINC001205124378 795387432 /nfs/dbraw/zinc/38/74/32/795387432.db2.gz POVYSFOMIPRWCJ-LLVKDONJSA-N 2 2 329.238 2.477 20 10 EECDLP Cc1noc(C(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000790622813 808848879 /nfs/dbraw/zinc/84/88/79/808848879.db2.gz OUTQNGPSTGHUOM-UHFFFAOYSA-N 2 2 329.448 2.155 20 10 EECDLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790949179 809001131 /nfs/dbraw/zinc/00/11/31/809001131.db2.gz DNLFNMDZMKFQDK-UHFFFAOYSA-N 2 2 329.847 2.300 20 10 EECDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276914270 463805375 /nfs/dbraw/zinc/80/53/75/463805375.db2.gz LHXDXOGLTDHLGO-OLZOCXBDSA-N 2 2 327.419 2.347 20 10 EECDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278863232 464002641 /nfs/dbraw/zinc/00/26/41/464002641.db2.gz MDHQQGYWADVXHC-KGLIPLIRSA-N 2 2 335.404 2.368 20 10 EECDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278863232 464002646 /nfs/dbraw/zinc/00/26/46/464002646.db2.gz MDHQQGYWADVXHC-KGLIPLIRSA-N 2 2 335.404 2.368 20 10 EECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278863232 464002650 /nfs/dbraw/zinc/00/26/50/464002650.db2.gz MDHQQGYWADVXHC-KGLIPLIRSA-N 2 2 335.404 2.368 20 10 EECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278863232 464002651 /nfs/dbraw/zinc/00/26/51/464002651.db2.gz MDHQQGYWADVXHC-KGLIPLIRSA-N 2 2 335.404 2.368 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281412295 464444391 /nfs/dbraw/zinc/44/43/91/464444391.db2.gz RFVQJDRBHZPSNR-UHFFFAOYSA-N 2 2 346.519 2.129 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281412295 464444394 /nfs/dbraw/zinc/44/43/94/464444394.db2.gz RFVQJDRBHZPSNR-UHFFFAOYSA-N 2 2 346.519 2.129 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(O)c1 ZINC000285552390 464606963 /nfs/dbraw/zinc/60/69/63/464606963.db2.gz FFEXEQCRBJUILK-MGNMYUMUSA-N 2 2 345.487 2.435 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(O)c1 ZINC000285552390 464606969 /nfs/dbraw/zinc/60/69/69/464606969.db2.gz FFEXEQCRBJUILK-MGNMYUMUSA-N 2 2 345.487 2.435 20 10 EECDLP CCCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000775980967 577450067 /nfs/dbraw/zinc/45/00/67/577450067.db2.gz XSRUBINWSWHALZ-SFHVURJKSA-N 2 2 333.476 2.260 20 10 EECDLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1n1cc[nH+]c1 ZINC000768463628 577556414 /nfs/dbraw/zinc/55/64/14/577556414.db2.gz KRWCBFHRWJEYED-ISTRZQFTSA-N 2 2 329.400 2.098 20 10 EECDLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@@H]1n1cc[nH+]c1 ZINC000768463628 577556415 /nfs/dbraw/zinc/55/64/15/577556415.db2.gz KRWCBFHRWJEYED-ISTRZQFTSA-N 2 2 329.400 2.098 20 10 EECDLP CC[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044359 577799210 /nfs/dbraw/zinc/79/92/10/577799210.db2.gz YVFFQXVMGDDUOO-IEBWSBKVSA-N 2 2 349.519 2.156 20 10 EECDLP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044359 577799211 /nfs/dbraw/zinc/79/92/11/577799211.db2.gz YVFFQXVMGDDUOO-IEBWSBKVSA-N 2 2 349.519 2.156 20 10 EECDLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754168857 577801629 /nfs/dbraw/zinc/80/16/29/577801629.db2.gz LOVHQEYVNGKWBG-JENIJYKNSA-N 2 2 349.519 2.202 20 10 EECDLP Cc1ccc(O)c(C[NH+]2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311561 1205305487 /nfs/dbraw/zinc/30/54/87/1205305487.db2.gz DYXVHAHZAQKWGB-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(O)c(C[NH+]2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311561 1205305490 /nfs/dbraw/zinc/30/54/90/1205305490.db2.gz DYXVHAHZAQKWGB-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(O)c(C[N@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311561 1205305491 /nfs/dbraw/zinc/30/54/91/1205305491.db2.gz DYXVHAHZAQKWGB-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311561 1205305493 /nfs/dbraw/zinc/30/54/93/1205305493.db2.gz DYXVHAHZAQKWGB-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001236894703 1305715861 /nfs/dbraw/zinc/71/58/61/1305715861.db2.gz BDIVBVGFOTVVCY-LBPRGKRZSA-N 2 2 342.281 2.065 20 10 EECDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001236894703 1305715866 /nfs/dbraw/zinc/71/58/66/1305715866.db2.gz BDIVBVGFOTVVCY-LBPRGKRZSA-N 2 2 342.281 2.065 20 10 EECDLP COc1cc(Br)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1O ZINC000841033630 1315459080 /nfs/dbraw/zinc/45/90/80/1315459080.db2.gz YEHOESUPKADVFU-GFCCVEGCSA-N 2 2 329.238 2.395 20 10 EECDLP COc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001203623585 1321925718 /nfs/dbraw/zinc/92/57/18/1321925718.db2.gz ULOIDBDWYJPLNQ-IRXDYDNUSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC001203671927 1321937211 /nfs/dbraw/zinc/93/72/11/1321937211.db2.gz ZOWPANGKKFPCNL-QZTJIDSGSA-N 2 2 339.439 2.360 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)cc2F)CC1 ZINC001261370488 1322082721 /nfs/dbraw/zinc/08/27/21/1322082721.db2.gz LBMBTMSQZJZXCT-IBGZPJMESA-N 3 2 334.483 2.057 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000848718628 1338746730 /nfs/dbraw/zinc/74/67/30/1338746730.db2.gz OORYTQUYAFTYRH-MSOLQXFVSA-N 3 2 346.519 2.067 20 10 EECDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589956860 1349078379 /nfs/dbraw/zinc/07/83/79/1349078379.db2.gz PXQZKKHLMAQFKV-XQQFMLRXSA-N 2 2 330.436 2.096 20 10 EECDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c(O)ccc(Cl)c1F ZINC000809743612 783353007 /nfs/dbraw/zinc/35/30/07/783353007.db2.gz XEBFJZJKHXMDRL-UHFFFAOYSA-N 2 2 329.847 2.254 20 10 EECDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c(O)ccc(Cl)c1F ZINC000809743612 783353012 /nfs/dbraw/zinc/35/30/12/783353012.db2.gz XEBFJZJKHXMDRL-UHFFFAOYSA-N 2 2 329.847 2.254 20 10 EECDLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Br)ccc1O ZINC000817982395 785130441 /nfs/dbraw/zinc/13/04/41/785130441.db2.gz DFDXCOVBUGGERI-AAEUAGOBSA-N 2 2 329.238 2.184 20 10 EECDLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c(O)c1 ZINC000285553873 464606498 /nfs/dbraw/zinc/60/64/98/464606498.db2.gz FFEXEQCRBJUILK-XYTVBORESA-N 2 2 345.487 2.435 20 10 EECDLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c(O)c1 ZINC000285553873 464606505 /nfs/dbraw/zinc/60/65/05/464606505.db2.gz FFEXEQCRBJUILK-XYTVBORESA-N 2 2 345.487 2.435 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364243 464713826 /nfs/dbraw/zinc/71/38/26/464713826.db2.gz BAMJRPZZPKJKDG-BBRMVZONSA-N 2 2 337.439 2.125 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364243 464713830 /nfs/dbraw/zinc/71/38/30/464713830.db2.gz BAMJRPZZPKJKDG-BBRMVZONSA-N 2 2 337.439 2.125 20 10 EECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1O ZINC000779024463 1208447541 /nfs/dbraw/zinc/44/75/41/1208447541.db2.gz MSXNFMDBGXGJDC-CMPLNLGQSA-N 2 2 331.254 2.036 20 10 EECDLP COc1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1O ZINC000827549962 1248428094 /nfs/dbraw/zinc/42/80/94/1248428094.db2.gz ZGPCJDBFDOCZEY-HNNXBMFYSA-N 2 2 340.851 2.397 20 10 EECDLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc2c1OCO2 ZINC000841041561 1315461587 /nfs/dbraw/zinc/46/15/87/1315461587.db2.gz DONHAXCLWUMFPC-MRXNPFEDSA-N 2 2 343.427 2.280 20 10 EECDLP COc1cc(Br)cc(C[NH+]2CCC(C)([NH3+])CC2)c1O ZINC000843104307 1315843264 /nfs/dbraw/zinc/84/32/64/1315843264.db2.gz FOJCYCZWCPYEAY-UHFFFAOYSA-N 2 2 329.238 2.477 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2)CC1 ZINC001205832030 1323313665 /nfs/dbraw/zinc/31/36/65/1323313665.db2.gz YZBJRFCNNCBBNQ-PXNSSMCTSA-N 3 2 330.520 2.388 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)CC[C@H]3C[NH3+])cc2)CC1 ZINC001205832030 1323313672 /nfs/dbraw/zinc/31/36/72/1323313672.db2.gz YZBJRFCNNCBBNQ-PXNSSMCTSA-N 3 2 330.520 2.388 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)c(OC)c1 ZINC001208618887 1324596717 /nfs/dbraw/zinc/59/67/17/1324596717.db2.gz UQEQRKPAPFVTGJ-MRXNPFEDSA-N 2 2 333.476 2.168 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001208618887 1324596724 /nfs/dbraw/zinc/59/67/24/1324596724.db2.gz UQEQRKPAPFVTGJ-MRXNPFEDSA-N 2 2 333.476 2.168 20 10 EECDLP O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[N@@H+]1CCc2ccccc2C1 ZINC000054174624 214222436 /nfs/dbraw/zinc/22/24/36/214222436.db2.gz OTTJRWDOEIMTHP-HXUWFJFHSA-N 2 2 338.451 2.130 20 10 EECDLP O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[N@H+]1CCc2ccccc2C1 ZINC000054174624 214222440 /nfs/dbraw/zinc/22/24/40/214222440.db2.gz OTTJRWDOEIMTHP-HXUWFJFHSA-N 2 2 338.451 2.130 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000155300772 462872453 /nfs/dbraw/zinc/87/24/53/462872453.db2.gz CRMNODJEGLYONZ-VQIMIIECSA-N 2 2 346.519 2.346 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000155300772 462872457 /nfs/dbraw/zinc/87/24/57/462872457.db2.gz CRMNODJEGLYONZ-VQIMIIECSA-N 2 2 346.519 2.346 20 10 EECDLP CCOc1ccc(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c(O)c1 ZINC000769487866 577579129 /nfs/dbraw/zinc/57/91/29/577579129.db2.gz MOZIHHPIJURYEG-CYBMUJFWSA-N 2 2 335.473 2.400 20 10 EECDLP CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000904354489 694368479 /nfs/dbraw/zinc/36/84/79/694368479.db2.gz ZYXOAMYUEKXSFN-LJQANCHMSA-N 2 2 340.471 2.244 20 10 EECDLP COc1ccc(C[NH2+]CCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001134517729 1199642152 /nfs/dbraw/zinc/64/21/52/1199642152.db2.gz QGCNJBPOQJTUFQ-HNNXBMFYSA-N 2 2 330.432 2.057 20 10 EECDLP COc1ccc(O)c(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1 ZINC001203678703 1279783363 /nfs/dbraw/zinc/78/33/63/1279783363.db2.gz TTXGJPAWKAJTKS-UHFFFAOYSA-N 2 2 334.460 2.476 20 10 EECDLP COc1ccc(O)c(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1 ZINC001203678703 1279783368 /nfs/dbraw/zinc/78/33/68/1279783368.db2.gz TTXGJPAWKAJTKS-UHFFFAOYSA-N 2 2 334.460 2.476 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000783592667 1304305741 /nfs/dbraw/zinc/30/57/41/1304305741.db2.gz KFNGCWAYDNFCTJ-GOSISDBHSA-N 2 2 347.503 2.224 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000841041555 1315461359 /nfs/dbraw/zinc/46/13/59/1315461359.db2.gz DNFCSDQREQQUTF-SFHVURJKSA-N 2 2 336.443 2.327 20 10 EECDLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001204273323 1322100017 /nfs/dbraw/zinc/10/00/17/1322100017.db2.gz OEQLFOFFFJMIID-HZPDHXFCSA-N 2 2 325.412 2.057 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCOC3(C)C)CC2)cc1 ZINC000815554530 1368032842 /nfs/dbraw/zinc/03/28/42/1368032842.db2.gz BGRKNDORNRMWLQ-IBGZPJMESA-N 2 2 347.503 2.364 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285700780 464663693 /nfs/dbraw/zinc/66/36/93/464663693.db2.gz OVDOQQMLWIVFCC-XYTVBORESA-N 2 2 345.487 2.435 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285700780 464663700 /nfs/dbraw/zinc/66/37/00/464663700.db2.gz OVDOQQMLWIVFCC-XYTVBORESA-N 2 2 345.487 2.435 20 10 EECDLP COCC[N@H+](Cc1cc(Cl)c(O)cc1O)C1CC[NH+](C)CC1 ZINC001232261105 1304057538 /nfs/dbraw/zinc/05/75/38/1304057538.db2.gz CDIKZEDNYXAHCP-UHFFFAOYSA-N 2 2 328.840 2.294 20 10 EECDLP COCC[N@@H+](Cc1cc(Cl)c(O)cc1O)C1CC[NH+](C)CC1 ZINC001232261105 1304057545 /nfs/dbraw/zinc/05/75/45/1304057545.db2.gz CDIKZEDNYXAHCP-UHFFFAOYSA-N 2 2 328.840 2.294 20 10 EECDLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238063251 1306206311 /nfs/dbraw/zinc/20/63/11/1306206311.db2.gz YVXGDGVLMBXJBH-UHFFFAOYSA-N 2 2 349.450 2.016 20 10 EECDLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cc(F)cc(C)c1O)CC2 ZINC001238063251 1306206322 /nfs/dbraw/zinc/20/63/22/1306206322.db2.gz YVXGDGVLMBXJBH-UHFFFAOYSA-N 2 2 349.450 2.016 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccccc2-n2cncn2)cc1 ZINC000841041445 1315461087 /nfs/dbraw/zinc/46/10/87/1315461087.db2.gz CHOSUJYNPDVJNY-SFHVURJKSA-N 2 2 336.443 2.123 20 10 EECDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205018765 1322265078 /nfs/dbraw/zinc/26/50/78/1322265078.db2.gz YZPSGBVMZCNWAY-INIZCTEOSA-N 3 2 334.483 2.009 20 10 EECDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205018765 1322265084 /nfs/dbraw/zinc/26/50/84/1322265084.db2.gz YZPSGBVMZCNWAY-INIZCTEOSA-N 3 2 334.483 2.009 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2F)CC1 ZINC001331417554 1335010670 /nfs/dbraw/zinc/01/06/70/1335010670.db2.gz CEJADYKMXWWONQ-QGZVFWFLSA-N 3 2 346.494 2.342 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2F)CC1 ZINC001331417554 1335010675 /nfs/dbraw/zinc/01/06/75/1335010675.db2.gz CEJADYKMXWWONQ-QGZVFWFLSA-N 2 2 346.494 2.342 20 10 EECDLP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667160 1372630720 /nfs/dbraw/zinc/63/07/20/1372630720.db2.gz JICWOBHCPBGGIX-ROUUACIJSA-N 2 2 347.478 2.436 20 10 EECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@H](O)C[N@@H+](C)CC ZINC000846808930 790634872 /nfs/dbraw/zinc/63/48/72/790634872.db2.gz VILMBDZHQNGCNR-CQSZACIVSA-N 2 2 345.281 2.289 20 10 EECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@H](O)C[N@H+](C)CC ZINC000846808930 790634874 /nfs/dbraw/zinc/63/48/74/790634874.db2.gz VILMBDZHQNGCNR-CQSZACIVSA-N 2 2 345.281 2.289 20 10 EECDLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000846808930 790634879 /nfs/dbraw/zinc/63/48/79/790634879.db2.gz VILMBDZHQNGCNR-CQSZACIVSA-N 2 2 345.281 2.289 20 10 EECDLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000846808930 790634881 /nfs/dbraw/zinc/63/48/81/790634881.db2.gz VILMBDZHQNGCNR-CQSZACIVSA-N 2 2 345.281 2.289 20 10 EECDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1O ZINC000817981984 785132304 /nfs/dbraw/zinc/13/23/04/785132304.db2.gz OZAXVBZZXYEHLG-VHSXEESVSA-N 2 2 347.228 2.323 20 10 EECDLP CCOC1CC([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000775623482 577441149 /nfs/dbraw/zinc/44/11/49/577441149.db2.gz RJDMQAUTTMCQIK-UHFFFAOYSA-N 2 2 347.503 2.364 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000775712621 577443486 /nfs/dbraw/zinc/44/34/86/577443486.db2.gz AHOZGNYYUYBCLN-INIZCTEOSA-N 2 2 343.393 2.202 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000775712621 577443487 /nfs/dbraw/zinc/44/34/87/577443487.db2.gz AHOZGNYYUYBCLN-INIZCTEOSA-N 2 2 343.393 2.202 20 10 EECDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775736648 577444283 /nfs/dbraw/zinc/44/42/83/577444283.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 3 2 342.531 2.497 20 10 EECDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775736648 577444284 /nfs/dbraw/zinc/44/42/84/577444284.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 3 2 342.531 2.497 20 10 EECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775736648 577444285 /nfs/dbraw/zinc/44/42/85/577444285.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 3 2 342.531 2.497 20 10 EECDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775736648 577444286 /nfs/dbraw/zinc/44/42/86/577444286.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 3 2 342.531 2.497 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)[C@@H](C)C(C)C)CC2)cc1 ZINC000754001096 577798357 /nfs/dbraw/zinc/79/83/57/577798357.db2.gz XYGZAOLBXWNVHU-PKOBYXMFSA-N 2 2 349.519 2.154 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)C)CC2)cc1 ZINC000754001096 577798358 /nfs/dbraw/zinc/79/83/58/577798358.db2.gz XYGZAOLBXWNVHU-PKOBYXMFSA-N 2 2 349.519 2.154 20 10 EECDLP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1O ZINC000756637258 577847851 /nfs/dbraw/zinc/84/78/51/577847851.db2.gz IIZZQLSMHJNGFK-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)cc1C ZINC000989613788 692087557 /nfs/dbraw/zinc/08/75/57/692087557.db2.gz WEEIDNWCVIEKJC-GDBMZVCRSA-N 2 2 342.443 2.048 20 10 EECDLP [NH3+][C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC12COC2 ZINC001237179209 1305822959 /nfs/dbraw/zinc/82/29/59/1305822959.db2.gz HSEWUFZYXNVMRE-GOSISDBHSA-N 2 2 328.387 2.358 20 10 EECDLP [NH3+][C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC12COC2 ZINC001237179209 1305822978 /nfs/dbraw/zinc/82/29/78/1305822978.db2.gz HSEWUFZYXNVMRE-GOSISDBHSA-N 2 2 328.387 2.358 20 10 EECDLP CCn1cc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001116442774 1305885463 /nfs/dbraw/zinc/88/54/63/1305885463.db2.gz PCCQKMDYHBPIEZ-UHFFFAOYSA-N 2 2 345.466 2.426 20 10 EECDLP CCn1cc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001116442774 1305885473 /nfs/dbraw/zinc/88/54/73/1305885473.db2.gz PCCQKMDYHBPIEZ-UHFFFAOYSA-N 2 2 345.466 2.426 20 10 EECDLP FC(F)(F)Oc1ccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)cc1 ZINC001246995905 1310497469 /nfs/dbraw/zinc/49/74/69/1310497469.db2.gz NCSUSHGLGAODJB-UHFFFAOYSA-N 2 2 329.366 2.459 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747123 1315608085 /nfs/dbraw/zinc/60/80/85/1315608085.db2.gz OCLTZNQCIMBGHH-CHWSQXEVSA-N 2 2 339.867 2.284 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747123 1315608087 /nfs/dbraw/zinc/60/80/87/1315608087.db2.gz OCLTZNQCIMBGHH-CHWSQXEVSA-N 2 2 339.867 2.284 20 10 EECDLP CCCC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001252108993 1317556811 /nfs/dbraw/zinc/55/68/11/1317556811.db2.gz UTBSUNUXEZVXJY-LJQANCHMSA-N 2 2 349.519 2.348 20 10 EECDLP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590464417 1349339915 /nfs/dbraw/zinc/33/99/15/1349339915.db2.gz CPIYMLHLWNFXIA-OAHLLOKOSA-N 2 2 332.452 2.345 20 10 EECDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287573 1372557524 /nfs/dbraw/zinc/55/75/24/1372557524.db2.gz YXIOYXMKSSDPAR-FXAWDEMLSA-N 2 2 329.488 2.174 20 10 EECDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287573 1372557527 /nfs/dbraw/zinc/55/75/27/1372557527.db2.gz YXIOYXMKSSDPAR-FXAWDEMLSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287573 1372557533 /nfs/dbraw/zinc/55/75/33/1372557533.db2.gz YXIOYXMKSSDPAR-FXAWDEMLSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287573 1372557535 /nfs/dbraw/zinc/55/75/35/1372557535.db2.gz YXIOYXMKSSDPAR-FXAWDEMLSA-N 2 2 329.488 2.174 20 10 EECDLP COc1ccc(O)c([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000817951002 785102898 /nfs/dbraw/zinc/10/28/98/785102898.db2.gz AADDLYJJDXDMGA-CYBMUJFWSA-N 2 2 328.416 2.379 20 10 EECDLP COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+]3CCCO)CC2)cc1 ZINC000824565496 788217491 /nfs/dbraw/zinc/21/74/91/788217491.db2.gz XCWIBJIPUIYIRD-IBGZPJMESA-N 2 2 347.503 2.100 20 10 EECDLP COc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3CCCO)CC2)cc1 ZINC000824565496 788217500 /nfs/dbraw/zinc/21/75/00/788217500.db2.gz XCWIBJIPUIYIRD-IBGZPJMESA-N 2 2 347.503 2.100 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000774875635 577421593 /nfs/dbraw/zinc/42/15/93/577421593.db2.gz LUCKCWDLMOHXAM-ZDUSSCGKSA-N 2 2 332.360 2.343 20 10 EECDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000131148024 1192774817 /nfs/dbraw/zinc/77/48/17/1192774817.db2.gz QRLCYQHQFDSEAJ-UHFFFAOYSA-N 2 2 339.867 2.032 20 10 EECDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000883014728 1201996429 /nfs/dbraw/zinc/99/64/29/1201996429.db2.gz ZDERSQMUUMEWTK-GFCCVEGCSA-N 2 2 326.387 2.261 20 10 EECDLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883139580 1202019461 /nfs/dbraw/zinc/01/94/61/1202019461.db2.gz RKNDMERTLMNFQD-UHFFFAOYSA-N 2 2 327.419 2.176 20 10 EECDLP C[NH+](C)CCCN1CC[NH+](Cc2c(O)ccc(F)c2Cl)CC1 ZINC001237125516 1305806322 /nfs/dbraw/zinc/80/63/22/1305806322.db2.gz DIBGJHPWVNLRIB-UHFFFAOYSA-N 2 2 329.847 2.254 20 10 EECDLP COc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1O ZINC000841086448 1315471648 /nfs/dbraw/zinc/47/16/48/1315471648.db2.gz NZPPBXRJWCBUGN-LBPRGKRZSA-N 2 2 329.238 2.393 20 10 EECDLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC12CCOCC2 ZINC000843125407 1315849193 /nfs/dbraw/zinc/84/91/93/1315849193.db2.gz VSQZSFNUNJRCLA-LBPRGKRZSA-N 2 2 328.815 2.372 20 10 EECDLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC12CCOCC2 ZINC000843125407 1315849198 /nfs/dbraw/zinc/84/91/98/1315849198.db2.gz VSQZSFNUNJRCLA-LBPRGKRZSA-N 2 2 328.815 2.372 20 10 EECDLP CCc1nc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)co1 ZINC001327952147 1334369333 /nfs/dbraw/zinc/36/93/33/1334369333.db2.gz NSBGGTOIFLAQGZ-UHFFFAOYSA-N 2 2 332.423 2.418 20 10 EECDLP CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347372699 1337506380 /nfs/dbraw/zinc/50/63/80/1337506380.db2.gz LNKGDDKHFGPRRY-INIZCTEOSA-N 2 2 336.499 2.396 20 10 EECDLP CC(C)[N@H+](C)C[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347372699 1337506385 /nfs/dbraw/zinc/50/63/85/1337506385.db2.gz LNKGDDKHFGPRRY-INIZCTEOSA-N 2 2 336.499 2.396 20 10 EECDLP CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001347372699 1337506389 /nfs/dbraw/zinc/50/63/89/1337506389.db2.gz LNKGDDKHFGPRRY-INIZCTEOSA-N 2 2 336.499 2.396 20 10 EECDLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H]1C ZINC000817942516 785090379 /nfs/dbraw/zinc/09/03/79/785090379.db2.gz PHSPTMDOISUVCZ-SIUPPRGNSA-N 2 2 333.476 2.320 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206163534 796937820 /nfs/dbraw/zinc/93/78/20/796937820.db2.gz DGWXXJFXBWRLKZ-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206163534 796937823 /nfs/dbraw/zinc/93/78/23/796937823.db2.gz DGWXXJFXBWRLKZ-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC3=CCCOC3)CC2)cc1 ZINC000126286777 463623368 /nfs/dbraw/zinc/62/33/68/463623368.db2.gz QZJYPFVQOYUDAJ-UHFFFAOYSA-N 2 2 345.487 2.144 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)CC1 ZINC000775664821 577442169 /nfs/dbraw/zinc/44/21/69/577442169.db2.gz ASEMMDCZFBGDFR-UHFFFAOYSA-N 3 2 339.487 2.472 20 10 EECDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000756490652 577845004 /nfs/dbraw/zinc/84/50/04/577845004.db2.gz QMCLEJCOSUICNI-SNVBAGLBSA-N 2 2 346.258 2.124 20 10 EECDLP CC[NH+]1CCN(c2ccc(O[C@H]3CC[NH2+]CC3(F)F)cc2)CC1 ZINC001218012418 1297548267 /nfs/dbraw/zinc/54/82/67/1297548267.db2.gz PLQHVXIWPPZRHG-INIZCTEOSA-N 2 2 325.403 2.205 20 10 EECDLP CN(C)c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c2ccccc21 ZINC001222492479 1299630470 /nfs/dbraw/zinc/63/04/70/1299630470.db2.gz YDOASCUYKTZXOS-FPOVZHCZSA-N 2 2 338.499 2.432 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241853 1306324796 /nfs/dbraw/zinc/32/47/96/1306324796.db2.gz PKUPYOYIFLDPRD-SJLPKXTDSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241853 1306324802 /nfs/dbraw/zinc/32/48/02/1306324802.db2.gz PKUPYOYIFLDPRD-SJLPKXTDSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241853 1306324811 /nfs/dbraw/zinc/32/48/11/1306324811.db2.gz PKUPYOYIFLDPRD-SJLPKXTDSA-N 2 2 334.483 2.137 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241853 1306324822 /nfs/dbraw/zinc/32/48/22/1306324822.db2.gz PKUPYOYIFLDPRD-SJLPKXTDSA-N 2 2 334.483 2.137 20 10 EECDLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc2c1OCO2 ZINC000841041560 1315461231 /nfs/dbraw/zinc/46/12/31/1315461231.db2.gz DONHAXCLWUMFPC-INIZCTEOSA-N 2 2 343.427 2.280 20 10 EECDLP COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203672889 1321937623 /nfs/dbraw/zinc/93/76/23/1321937623.db2.gz HZEDYOIPTQCKJD-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203672889 1321937625 /nfs/dbraw/zinc/93/76/25/1321937625.db2.gz HZEDYOIPTQCKJD-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203672889 1321937626 /nfs/dbraw/zinc/93/76/26/1321937626.db2.gz HZEDYOIPTQCKJD-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203672889 1321937629 /nfs/dbraw/zinc/93/76/29/1321937629.db2.gz HZEDYOIPTQCKJD-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205725474 1323269065 /nfs/dbraw/zinc/26/90/65/1323269065.db2.gz IEVDMLIBGRCVKR-HNNXBMFYSA-N 2 2 343.265 2.139 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205725474 1323269078 /nfs/dbraw/zinc/26/90/78/1323269078.db2.gz IEVDMLIBGRCVKR-HNNXBMFYSA-N 2 2 343.265 2.139 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961582 1349081624 /nfs/dbraw/zinc/08/16/24/1349081624.db2.gz ROLLZMXTJLNENG-ZIAGYGMSSA-N 2 2 344.463 2.487 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961582 1349081626 /nfs/dbraw/zinc/08/16/26/1349081626.db2.gz ROLLZMXTJLNENG-ZIAGYGMSSA-N 2 2 344.463 2.487 20 10 EECDLP CC[C@@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000160397604 463334658 /nfs/dbraw/zinc/33/46/58/463334658.db2.gz INUSAPWQMICBSC-LJQANCHMSA-N 2 2 346.519 2.346 20 10 EECDLP CCN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000773783786 577364409 /nfs/dbraw/zinc/36/44/09/577364409.db2.gz DXJIZKUFKHMGAX-IBGZPJMESA-N 2 2 344.503 2.057 20 10 EECDLP CCN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000773783786 577364410 /nfs/dbraw/zinc/36/44/10/577364410.db2.gz DXJIZKUFKHMGAX-IBGZPJMESA-N 2 2 344.503 2.057 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000771384674 577614822 /nfs/dbraw/zinc/61/48/22/577614822.db2.gz PWJWNTDCHUFWTC-GOSISDBHSA-N 2 2 347.503 2.366 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)CCC(C)C)CC2)cc1 ZINC000754012991 577798580 /nfs/dbraw/zinc/79/85/80/577798580.db2.gz PFUVBUXODRHENH-IBGZPJMESA-N 2 2 349.519 2.156 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)CCC(C)C)CC2)cc1 ZINC000754012991 577798581 /nfs/dbraw/zinc/79/85/81/577798581.db2.gz PFUVBUXODRHENH-IBGZPJMESA-N 2 2 349.519 2.156 20 10 EECDLP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)cc(F)c1O ZINC000756407887 578236885 /nfs/dbraw/zinc/23/68/85/578236885.db2.gz GPYKCCGMHDJVME-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756407887 578236886 /nfs/dbraw/zinc/23/68/86/578236886.db2.gz GPYKCCGMHDJVME-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000883370451 1202054795 /nfs/dbraw/zinc/05/47/95/1202054795.db2.gz LNZXQWVYMXQRKW-ROUUACIJSA-N 2 2 347.503 2.148 20 10 EECDLP COc1ccc(N2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001236412138 1305573599 /nfs/dbraw/zinc/57/35/99/1305573599.db2.gz SAHWNWMIMSPCSK-MRXNPFEDSA-N 2 2 333.476 2.358 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237393062 1305916887 /nfs/dbraw/zinc/91/68/87/1305916887.db2.gz QWVIBFJNQOUGRF-CJNGLKHVSA-N 2 2 328.412 2.381 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237393062 1305916888 /nfs/dbraw/zinc/91/68/88/1305916888.db2.gz QWVIBFJNQOUGRF-CJNGLKHVSA-N 2 2 328.412 2.381 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000841046111 1315461903 /nfs/dbraw/zinc/46/19/03/1315461903.db2.gz WJTLTNHPMIZJCU-KRWDZBQOSA-N 2 2 345.516 2.468 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000841044565 1315462170 /nfs/dbraw/zinc/46/21/70/1315462170.db2.gz DFWSIKRZIDUGNH-LJQANCHMSA-N 2 2 339.487 2.406 20 10 EECDLP COc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841086445 1315471639 /nfs/dbraw/zinc/47/16/39/1315471639.db2.gz NZPPBXRJWCBUGN-GFCCVEGCSA-N 2 2 329.238 2.393 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843120240 1315848074 /nfs/dbraw/zinc/84/80/74/1315848074.db2.gz BARQHUNNQNCKBV-HNNXBMFYSA-N 2 2 341.249 2.349 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1O ZINC000843120240 1315848077 /nfs/dbraw/zinc/84/80/77/1315848077.db2.gz BARQHUNNQNCKBV-HNNXBMFYSA-N 2 2 341.249 2.349 20 10 EECDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)C1 ZINC001589963552 1349083178 /nfs/dbraw/zinc/08/31/78/1349083178.db2.gz LAZWDSKBKNBVPR-ZIAGYGMSSA-N 2 2 344.463 2.343 20 10 EECDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-c2nn[nH]n2)c1O ZINC001604057096 1350843028 /nfs/dbraw/zinc/84/30/28/1350843028.db2.gz ZTJPCDCPCYMKIK-XQERAMJGSA-N 2 2 342.447 2.238 20 10 EECDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-c2nn[nH]n2)c1O ZINC001604057096 1350843033 /nfs/dbraw/zinc/84/30/33/1350843033.db2.gz ZTJPCDCPCYMKIK-XQERAMJGSA-N 2 2 342.447 2.238 20 10 EECDLP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(F)c(F)c1O ZINC000276914272 463805609 /nfs/dbraw/zinc/80/56/09/463805609.db2.gz LHXDXOGLTDHLGO-QWHCGFSZSA-N 2 2 327.419 2.347 20 10 EECDLP COc1c(O)c(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000278634277 463975132 /nfs/dbraw/zinc/97/51/32/463975132.db2.gz HFZMLGWOUDQFBW-UHFFFAOYSA-N 2 2 335.404 2.416 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000271889157 464401267 /nfs/dbraw/zinc/40/12/67/464401267.db2.gz VKVCUUCSXSBEHE-QZTJIDSGSA-N 2 2 347.503 2.364 20 10 EECDLP c1[nH+]c2n(c1C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCCC2 ZINC000376769433 466931692 /nfs/dbraw/zinc/93/16/92/466931692.db2.gz SHROOGZUKYAFFZ-UHFFFAOYSA-N 2 2 326.444 2.346 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000366054546 467042407 /nfs/dbraw/zinc/04/24/07/467042407.db2.gz XBYRQLCZBAUOLG-CQSZACIVSA-N 2 2 345.355 2.357 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1[N+](=O)[O-] ZINC000366054546 467042409 /nfs/dbraw/zinc/04/24/09/467042409.db2.gz XBYRQLCZBAUOLG-CQSZACIVSA-N 2 2 345.355 2.357 20 10 EECDLP CN(C)c1ccc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1 ZINC000880254471 1201437188 /nfs/dbraw/zinc/43/71/88/1201437188.db2.gz YVSMVBHLAPZPSO-UHFFFAOYSA-N 2 2 344.503 2.058 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883369923 1202054828 /nfs/dbraw/zinc/05/48/28/1202054828.db2.gz CLVYRPXQSRXKQK-MJGOQNOKSA-N 2 2 347.503 2.230 20 10 EECDLP Oc1cc(F)c(F)cc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275774327 1205521086 /nfs/dbraw/zinc/52/10/86/1205521086.db2.gz QQYJYZNKQOFNHH-UHFFFAOYSA-N 2 2 348.397 2.492 20 10 EECDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000796515991 1220460046 /nfs/dbraw/zinc/46/00/46/1220460046.db2.gz ONANOAKIMBWEMT-UHFFFAOYSA-N 2 2 349.519 2.312 20 10 EECDLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1O ZINC000854231455 1292681559 /nfs/dbraw/zinc/68/15/59/1292681559.db2.gz DJJTWPOTVPSWOX-MRVPVSSYSA-N 2 2 342.321 2.216 20 10 EECDLP C[NH+]1CCN(C2CC[NH+](Cc3c(O)ccc(F)c3Cl)CC2)CC1 ZINC001237123626 1305805250 /nfs/dbraw/zinc/80/52/50/1305805250.db2.gz DZQBUHPPOQFTQQ-UHFFFAOYSA-N 2 2 341.858 2.397 20 10 EECDLP C[NH+]1CCC(C[NH+]2CCN(Cc3c(F)ccc(F)c3O)CC2)CC1 ZINC001139687890 1314759076 /nfs/dbraw/zinc/75/90/76/1314759076.db2.gz TVBLEIIUWLWNFC-UHFFFAOYSA-N 2 2 339.430 2.130 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH+]3CCC([NH+](C)C)CC3)cc2)CC1 ZINC001140300939 1314859072 /nfs/dbraw/zinc/85/90/72/1314859072.db2.gz WKUUARWRUUCPSH-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(OC)c1 ZINC001256631560 1318809829 /nfs/dbraw/zinc/80/98/29/1318809829.db2.gz ZBCMKBGWBZBHMM-SJPCQFCGSA-N 2 2 345.487 2.451 20 10 EECDLP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(OC)c1 ZINC001256631560 1318809841 /nfs/dbraw/zinc/80/98/41/1318809841.db2.gz ZBCMKBGWBZBHMM-SJPCQFCGSA-N 2 2 345.487 2.451 20 10 EECDLP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001203621369 1321924441 /nfs/dbraw/zinc/92/44/41/1321924441.db2.gz BWDFBNDUDKLLAF-ROUUACIJSA-N 2 2 339.439 2.360 20 10 EECDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001205016186 1322265001 /nfs/dbraw/zinc/26/50/01/1322265001.db2.gz GLWOPVKHXGUKIK-AWEZNQCLSA-N 2 2 329.444 2.396 20 10 EECDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001205016186 1322265007 /nfs/dbraw/zinc/26/50/07/1322265007.db2.gz GLWOPVKHXGUKIK-AWEZNQCLSA-N 2 2 329.444 2.396 20 10 EECDLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206189951 1323420264 /nfs/dbraw/zinc/42/02/64/1323420264.db2.gz YSEBYAYMMFQFHZ-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206189951 1323420270 /nfs/dbraw/zinc/42/02/70/1323420270.db2.gz YSEBYAYMMFQFHZ-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP Oc1c(F)cccc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001276537891 1324000332 /nfs/dbraw/zinc/00/03/32/1324000332.db2.gz OXRUSERMEAWSFS-UHFFFAOYSA-N 2 2 344.434 2.326 20 10 EECDLP CCCCN(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308258772 1331579733 /nfs/dbraw/zinc/57/97/33/1331579733.db2.gz PMUYKFQLGQNSJS-UHFFFAOYSA-N 2 2 336.499 2.399 20 10 EECDLP CCCC[N@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308258772 1331579738 /nfs/dbraw/zinc/57/97/38/1331579738.db2.gz PMUYKFQLGQNSJS-UHFFFAOYSA-N 2 2 336.499 2.399 20 10 EECDLP CCCC[N@@H+](C)CCNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001308258772 1331579742 /nfs/dbraw/zinc/57/97/42/1331579742.db2.gz PMUYKFQLGQNSJS-UHFFFAOYSA-N 2 2 336.499 2.399 20 10 EECDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)C1 ZINC001589963550 1349083343 /nfs/dbraw/zinc/08/33/43/1349083343.db2.gz LAZWDSKBKNBVPR-UONOGXRCSA-N 2 2 344.463 2.343 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902638 785055753 /nfs/dbraw/zinc/05/57/53/785055753.db2.gz VUMVPHPWUOEZBY-MAUKXSAKSA-N 3 2 334.483 2.198 20 10 EECDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000131106263 462792794 /nfs/dbraw/zinc/79/27/94/462792794.db2.gz RUAUNKVNKQXKGC-KRWDZBQOSA-N 2 2 335.467 2.436 20 10 EECDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1F ZINC000131106263 462792798 /nfs/dbraw/zinc/79/27/98/462792798.db2.gz RUAUNKVNKQXKGC-KRWDZBQOSA-N 2 2 335.467 2.436 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3nccs3)CC2)cc1 ZINC000727463925 576428301 /nfs/dbraw/zinc/42/83/01/576428301.db2.gz IBKUUYOIINXFDP-UHFFFAOYSA-N 2 2 346.500 2.454 20 10 EECDLP Cc1cccc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1O ZINC000895550875 684639506 /nfs/dbraw/zinc/63/95/06/684639506.db2.gz LKRHELTUQPQEAS-UHFFFAOYSA-N 2 2 331.460 2.006 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3[NH3+])cc2)CC1 ZINC000904462829 694395173 /nfs/dbraw/zinc/39/51/73/694395173.db2.gz YUJWTNCXQDEYKK-NHCUHLMSSA-N 3 2 336.483 2.153 20 10 EECDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882926816 1201977705 /nfs/dbraw/zinc/97/77/05/1201977705.db2.gz BLZSJPILJHYUMX-UHFFFAOYSA-N 2 2 348.397 2.107 20 10 EECDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001275912818 1205581999 /nfs/dbraw/zinc/58/19/99/1205581999.db2.gz DZEKETXLJIIEQY-ALOPSCKCSA-N 2 2 338.423 2.237 20 10 EECDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001275912818 1205582000 /nfs/dbraw/zinc/58/20/00/1205582000.db2.gz DZEKETXLJIIEQY-ALOPSCKCSA-N 2 2 338.423 2.237 20 10 EECDLP CC(C)(C)c1cc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235065730 1305103798 /nfs/dbraw/zinc/10/37/98/1305103798.db2.gz YEZYKTJVZYCVMU-GOSISDBHSA-N 2 2 337.895 2.480 20 10 EECDLP CC(C)(C)c1cc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235065730 1305103800 /nfs/dbraw/zinc/10/38/00/1305103800.db2.gz YEZYKTJVZYCVMU-GOSISDBHSA-N 2 2 337.895 2.480 20 10 EECDLP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241854 1306325144 /nfs/dbraw/zinc/32/51/44/1306325144.db2.gz PKUPYOYIFLDPRD-WMZOPIPTSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241854 1306325154 /nfs/dbraw/zinc/32/51/54/1306325154.db2.gz PKUPYOYIFLDPRD-WMZOPIPTSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241854 1306325163 /nfs/dbraw/zinc/32/51/63/1306325163.db2.gz PKUPYOYIFLDPRD-WMZOPIPTSA-N 2 2 334.483 2.137 20 10 EECDLP CC[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241854 1306325168 /nfs/dbraw/zinc/32/51/68/1306325168.db2.gz PKUPYOYIFLDPRD-WMZOPIPTSA-N 2 2 334.483 2.137 20 10 EECDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000843053300 1315830589 /nfs/dbraw/zinc/83/05/89/1315830589.db2.gz UQDPVJNKRIAQLH-JTQLQIEISA-N 2 2 329.238 2.205 20 10 EECDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000843053300 1315830593 /nfs/dbraw/zinc/83/05/93/1315830593.db2.gz UQDPVJNKRIAQLH-JTQLQIEISA-N 2 2 329.238 2.205 20 10 EECDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001253206347 1317797744 /nfs/dbraw/zinc/79/77/44/1317797744.db2.gz MNXJNXBNVARRGO-ZDUSSCGKSA-N 2 2 337.851 2.386 20 10 EECDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC001308223432 1331574101 /nfs/dbraw/zinc/57/41/01/1331574101.db2.gz YAQIKKYEOUGEIU-CYBMUJFWSA-N 2 2 343.265 2.009 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000809700845 783292367 /nfs/dbraw/zinc/29/23/67/783292367.db2.gz PFHHYIKSGMZOKX-SWWFSWNPSA-N 2 2 349.544 2.170 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)[S@]1=O ZINC000809700845 783292371 /nfs/dbraw/zinc/29/23/71/783292371.db2.gz PFHHYIKSGMZOKX-SWWFSWNPSA-N 2 2 349.544 2.170 20 10 EECDLP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817887722 785022005 /nfs/dbraw/zinc/02/20/05/785022005.db2.gz CWLLDMDUNVVFSN-MOPGFXCFSA-N 2 2 347.528 2.096 20 10 EECDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C1 ZINC000365235541 466753140 /nfs/dbraw/zinc/75/31/40/466753140.db2.gz XAXAQFHPSGVBRP-ZDUSSCGKSA-N 2 2 341.858 2.397 20 10 EECDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C1 ZINC000365235541 466753141 /nfs/dbraw/zinc/75/31/41/466753141.db2.gz XAXAQFHPSGVBRP-ZDUSSCGKSA-N 2 2 341.858 2.397 20 10 EECDLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1O ZINC001275969013 1205608265 /nfs/dbraw/zinc/60/82/65/1205608265.db2.gz WUIIDGAPISQXEC-PKOBYXMFSA-N 2 2 340.471 2.412 20 10 EECDLP Cc1ccc(C)c(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1O ZINC001275969013 1205608266 /nfs/dbraw/zinc/60/82/66/1205608266.db2.gz WUIIDGAPISQXEC-PKOBYXMFSA-N 2 2 340.471 2.412 20 10 EECDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943046 1305740234 /nfs/dbraw/zinc/74/02/34/1305740234.db2.gz PEXWQGFUXDWQOB-HXUWFJFHSA-N 3 2 346.494 2.105 20 10 EECDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943046 1305740244 /nfs/dbraw/zinc/74/02/44/1305740244.db2.gz PEXWQGFUXDWQOB-HXUWFJFHSA-N 3 2 346.494 2.105 20 10 EECDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943046 1305740253 /nfs/dbraw/zinc/74/02/53/1305740253.db2.gz PEXWQGFUXDWQOB-HXUWFJFHSA-N 3 2 346.494 2.105 20 10 EECDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943046 1305740261 /nfs/dbraw/zinc/74/02/61/1305740261.db2.gz PEXWQGFUXDWQOB-HXUWFJFHSA-N 3 2 346.494 2.105 20 10 EECDLP Oc1ccc(Cl)cc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843118981 1315847430 /nfs/dbraw/zinc/84/74/30/1315847430.db2.gz RMGRRMJRNDILQS-UHFFFAOYSA-N 2 2 347.850 2.120 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(Br)c1 ZINC001206201883 1323424991 /nfs/dbraw/zinc/42/49/91/1323424991.db2.gz ZPQYRQUDBRHHTD-CHWSQXEVSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c(Br)c1 ZINC001206201883 1323424998 /nfs/dbraw/zinc/42/49/98/1323424998.db2.gz ZPQYRQUDBRHHTD-CHWSQXEVSA-N 2 2 347.228 2.425 20 10 EECDLP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463702 1349340506 /nfs/dbraw/zinc/34/05/06/1349340506.db2.gz LAQHXZCMEROTGM-HNNXBMFYSA-N 2 2 344.463 2.345 20 10 EECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000817984530 785133551 /nfs/dbraw/zinc/13/35/51/785133551.db2.gz ZOHLNWDAZWCCHU-CMPLNLGQSA-N 2 2 329.238 2.102 20 10 EECDLP COCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825161078 788491339 /nfs/dbraw/zinc/49/13/39/788491339.db2.gz ZBHGXLFTUQRIGL-UHFFFAOYSA-N 2 2 343.265 2.355 20 10 EECDLP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000289950840 464102126 /nfs/dbraw/zinc/10/21/26/464102126.db2.gz YSHYFPNZZJIIIL-UHFFFAOYSA-N 2 2 340.439 2.091 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300403808 465890045 /nfs/dbraw/zinc/89/00/45/465890045.db2.gz FASHVKNWZWXECV-KBPBESRZSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300403808 465890055 /nfs/dbraw/zinc/89/00/55/465890055.db2.gz FASHVKNWZWXECV-KBPBESRZSA-N 2 2 341.249 2.108 20 10 EECDLP CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727450 577444019 /nfs/dbraw/zinc/44/40/19/577444019.db2.gz RRFSLOZTZLYEAN-MRXNPFEDSA-N 2 2 333.476 2.210 20 10 EECDLP CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727450 577444020 /nfs/dbraw/zinc/44/40/20/577444020.db2.gz RRFSLOZTZLYEAN-MRXNPFEDSA-N 2 2 333.476 2.210 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)CC(C)(C)C)CC2)cc1 ZINC000754031573 577798932 /nfs/dbraw/zinc/79/89/32/577798932.db2.gz WNJVGMPVQQFJIO-SFHVURJKSA-N 2 2 349.519 2.156 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)CC(C)(C)C)CC2)cc1 ZINC000754031573 577798933 /nfs/dbraw/zinc/79/89/33/577798933.db2.gz WNJVGMPVQQFJIO-SFHVURJKSA-N 2 2 349.519 2.156 20 10 EECDLP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756398503 577843408 /nfs/dbraw/zinc/84/34/08/577843408.db2.gz JHESOOBRXWKKMY-LBPRGKRZSA-N 2 2 327.419 2.347 20 10 EECDLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756413168 577843704 /nfs/dbraw/zinc/84/37/04/577843704.db2.gz YAWOGTXNVBVFFZ-STQMWFEESA-N 2 2 327.419 2.347 20 10 EECDLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(F)cc(F)c3O)ccn2)CC1 ZINC000882893971 1201969682 /nfs/dbraw/zinc/96/96/82/1201969682.db2.gz GOFDOUBJVLBVGE-UHFFFAOYSA-N 2 2 348.397 2.107 20 10 EECDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000858468948 1294125392 /nfs/dbraw/zinc/12/53/92/1294125392.db2.gz NRFAFQFDBHEBJA-DOMZBBRYSA-N 2 2 339.867 2.344 20 10 EECDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000858468948 1294125397 /nfs/dbraw/zinc/12/53/97/1294125397.db2.gz NRFAFQFDBHEBJA-DOMZBBRYSA-N 2 2 339.867 2.344 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c(F)c2)CC1 ZINC001237413070 1305924856 /nfs/dbraw/zinc/92/48/56/1305924856.db2.gz IWZRAAIIVGUHPL-FXAWDEMLSA-N 3 2 346.494 2.151 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c(F)c2)CC1 ZINC001237413070 1305924859 /nfs/dbraw/zinc/92/48/59/1305924859.db2.gz IWZRAAIIVGUHPL-FXAWDEMLSA-N 3 2 346.494 2.151 20 10 EECDLP CC[NH+](CC)CCN1CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142502364 1315639661 /nfs/dbraw/zinc/63/96/61/1315639661.db2.gz NPYWLESGDJIKAP-UHFFFAOYSA-N 2 2 327.419 2.130 20 10 EECDLP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157435638 1318640558 /nfs/dbraw/zinc/64/05/58/1318640558.db2.gz UMAWIVUJTOKQFS-YOEHRIQHSA-N 2 2 342.443 2.042 20 10 EECDLP COc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001203590502 1321918158 /nfs/dbraw/zinc/91/81/58/1321918158.db2.gz ZWBVIJMMPJGKLH-ROUUACIJSA-N 2 2 339.439 2.360 20 10 EECDLP Oc1ccc(F)c(F)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276470523 1322162737 /nfs/dbraw/zinc/16/27/37/1322162737.db2.gz OLTBGNIAENGVQV-UHFFFAOYSA-N 2 2 348.397 2.492 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC3(C)C)CC2)cc1 ZINC000815554531 1368034768 /nfs/dbraw/zinc/03/47/68/1368034768.db2.gz BGRKNDORNRMWLQ-LJQANCHMSA-N 2 2 347.503 2.364 20 10 EECDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1O ZINC000817981979 785131894 /nfs/dbraw/zinc/13/18/94/785131894.db2.gz OZAXVBZZXYEHLG-NXEZZACHSA-N 2 2 347.228 2.323 20 10 EECDLP CC(C)N1CC[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336977 788577348 /nfs/dbraw/zinc/57/73/48/788577348.db2.gz BMJNVTXCOZWLMH-HXUWFJFHSA-N 2 2 330.520 2.353 20 10 EECDLP CC(C)N1CC[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336977 788577361 /nfs/dbraw/zinc/57/73/61/788577361.db2.gz BMJNVTXCOZWLMH-HXUWFJFHSA-N 2 2 330.520 2.353 20 10 EECDLP C[NH+]1CCN(c2cc(C[NH2+]Cc3c(O)cccc3Cl)ccn2)CC1 ZINC000113322926 529776931 /nfs/dbraw/zinc/77/69/31/529776931.db2.gz MULKAUIIVZMPDI-UHFFFAOYSA-N 2 2 346.862 2.482 20 10 EECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590266 464721051 /nfs/dbraw/zinc/72/10/51/464721051.db2.gz OWZNSCVOVBRDKP-WCQYABFASA-N 2 2 342.281 2.051 20 10 EECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590266 464721057 /nfs/dbraw/zinc/72/10/57/464721057.db2.gz OWZNSCVOVBRDKP-WCQYABFASA-N 2 2 342.281 2.051 20 10 EECDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000770677050 577601479 /nfs/dbraw/zinc/60/14/79/577601479.db2.gz UMZTYPFPGZSZTP-LBPRGKRZSA-N 2 2 329.847 2.300 20 10 EECDLP CC[NH+]1CCN(c2ccc(O[C@@H]3CC[NH2+]CC3(F)F)cc2)CC1 ZINC001218012420 1297548322 /nfs/dbraw/zinc/54/83/22/1297548322.db2.gz PLQHVXIWPPZRHG-MRXNPFEDSA-N 2 2 325.403 2.205 20 10 EECDLP CCN(CC)c1ccc(C[N@H+](CCOC)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236333726 1305561458 /nfs/dbraw/zinc/56/14/58/1305561458.db2.gz XRDZEQVVZIPHFI-SFHVURJKSA-N 2 2 335.492 2.439 20 10 EECDLP CCN(CC)c1ccc(C[N@@H+](CCOC)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236333726 1305561464 /nfs/dbraw/zinc/56/14/64/1305561464.db2.gz XRDZEQVVZIPHFI-SFHVURJKSA-N 2 2 335.492 2.439 20 10 EECDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(I)cc1O ZINC001236884231 1305708001 /nfs/dbraw/zinc/70/80/01/1305708001.db2.gz MVMBNTJUDJYRGG-NSHDSACASA-N 2 2 334.201 2.166 20 10 EECDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(I)cc1O ZINC001236884231 1305708005 /nfs/dbraw/zinc/70/80/05/1305708005.db2.gz MVMBNTJUDJYRGG-NSHDSACASA-N 2 2 334.201 2.166 20 10 EECDLP CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001236941825 1305738966 /nfs/dbraw/zinc/73/89/66/1305738966.db2.gz FZERLRUTCOKQAD-HKUYNNGSSA-N 2 2 333.451 2.331 20 10 EECDLP CC[C@@]12C[C@@H](CO1)[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001236941825 1305738970 /nfs/dbraw/zinc/73/89/70/1305738970.db2.gz FZERLRUTCOKQAD-HKUYNNGSSA-N 2 2 333.451 2.331 20 10 EECDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261047 1314722741 /nfs/dbraw/zinc/72/27/41/1314722741.db2.gz SQAFOGQFIQJLCH-UHFFFAOYSA-N 3 2 332.448 2.181 20 10 EECDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261047 1314722742 /nfs/dbraw/zinc/72/27/42/1314722742.db2.gz SQAFOGQFIQJLCH-UHFFFAOYSA-N 3 2 332.448 2.181 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(F)n3)cc2F)CC1 ZINC001341815732 1337299993 /nfs/dbraw/zinc/29/99/93/1337299993.db2.gz NINUKOYNPPXIQS-UHFFFAOYSA-N 2 2 332.398 2.401 20 10 EECDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287262 1372557422 /nfs/dbraw/zinc/55/74/22/1372557422.db2.gz LXFKVAOSESVPID-UHFFFAOYSA-N 2 2 328.460 2.366 20 10 EECDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140287262 1372557424 /nfs/dbraw/zinc/55/74/24/1372557424.db2.gz LXFKVAOSESVPID-UHFFFAOYSA-N 2 2 328.460 2.366 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000825132245 788451942 /nfs/dbraw/zinc/45/19/42/788451942.db2.gz YSDDUVHZTWLCLL-UHFFFAOYSA-N 2 2 343.265 2.091 20 10 EECDLP [NH3+][C@@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@H]1F ZINC001206200442 797448886 /nfs/dbraw/zinc/44/88/86/797448886.db2.gz RQTULKKFWURPMJ-GHMZBOCLSA-N 2 2 333.201 2.122 20 10 EECDLP [NH3+][C@@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@H]1F ZINC001206200442 797448888 /nfs/dbraw/zinc/44/88/88/797448888.db2.gz RQTULKKFWURPMJ-GHMZBOCLSA-N 2 2 333.201 2.122 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@H](C)OC)CC2)cc1 ZINC000268737573 463788881 /nfs/dbraw/zinc/78/88/81/463788881.db2.gz OTMMCQYMSMYBDG-IRXDYDNUSA-N 2 2 335.492 2.220 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cn1cccn1 ZINC000873012605 1198474518 /nfs/dbraw/zinc/47/45/18/1198474518.db2.gz KKRXFBQCYQUSJD-OAHLLOKOSA-N 2 2 325.416 2.315 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000779065769 1208488644 /nfs/dbraw/zinc/48/86/44/1208488644.db2.gz PIYLYLOARSHVPP-MRXNPFEDSA-N 2 2 326.444 2.465 20 10 EECDLP CC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008047 1305473583 /nfs/dbraw/zinc/47/35/83/1305473583.db2.gz PUSPNHBJEXIKBI-HXUWFJFHSA-N 3 2 330.520 2.402 20 10 EECDLP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008047 1305473596 /nfs/dbraw/zinc/47/35/96/1305473596.db2.gz PUSPNHBJEXIKBI-HXUWFJFHSA-N 3 2 330.520 2.402 20 10 EECDLP CC(C)[C@@H]1COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938843 1305738848 /nfs/dbraw/zinc/73/88/48/1305738848.db2.gz OJVQTPWZDCAKJU-IBGZPJMESA-N 2 2 335.467 2.434 20 10 EECDLP CC(C)[C@@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938843 1305738855 /nfs/dbraw/zinc/73/88/55/1305738855.db2.gz OJVQTPWZDCAKJU-IBGZPJMESA-N 2 2 335.467 2.434 20 10 EECDLP COCC[N@H+](Cc1ccc2c(c1)OCCN2C)C1CC[NH+](C)CC1 ZINC001141143397 1315049651 /nfs/dbraw/zinc/04/96/51/1315049651.db2.gz XLFAMCDESONTIA-UHFFFAOYSA-N 2 2 333.476 2.058 20 10 EECDLP COCC[N@@H+](Cc1ccc2c(c1)OCCN2C)C1CC[NH+](C)CC1 ZINC001141143397 1315049653 /nfs/dbraw/zinc/04/96/53/1315049653.db2.gz XLFAMCDESONTIA-UHFFFAOYSA-N 2 2 333.476 2.058 20 10 EECDLP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000841038093 1315460054 /nfs/dbraw/zinc/46/00/54/1315460054.db2.gz UDJHDINFSASCID-SFHVURJKSA-N 2 2 329.419 2.452 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000841044887 1315462227 /nfs/dbraw/zinc/46/22/27/1315462227.db2.gz ZPKOSQDRTLAZJI-LJQANCHMSA-N 2 2 336.443 2.123 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(Br)c1 ZINC001206201884 1323424740 /nfs/dbraw/zinc/42/47/40/1323424740.db2.gz ZPQYRQUDBRHHTD-OLZOCXBDSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(Br)c1 ZINC001206201884 1323424745 /nfs/dbraw/zinc/42/47/45/1323424745.db2.gz ZPQYRQUDBRHHTD-OLZOCXBDSA-N 2 2 347.228 2.425 20 10 EECDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053899 1350840914 /nfs/dbraw/zinc/84/09/14/1350840914.db2.gz FWMUYBZNISHYIW-CJNGLKHVSA-N 2 2 344.463 2.345 20 10 EECDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053899 1350840918 /nfs/dbraw/zinc/84/09/18/1350840918.db2.gz FWMUYBZNISHYIW-CJNGLKHVSA-N 2 2 344.463 2.345 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000097095759 463321469 /nfs/dbraw/zinc/32/14/69/463321469.db2.gz UBPAARONCGZSRS-CABZTGNLSA-N 2 2 329.238 2.475 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c1O ZINC000097095759 463321475 /nfs/dbraw/zinc/32/14/75/463321475.db2.gz UBPAARONCGZSRS-CABZTGNLSA-N 2 2 329.238 2.475 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965011 463829136 /nfs/dbraw/zinc/82/91/36/463829136.db2.gz YGGJFVIXNCLVBH-MSOLQXFVSA-N 2 2 332.492 2.133 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965011 463829141 /nfs/dbraw/zinc/82/91/41/463829141.db2.gz YGGJFVIXNCLVBH-MSOLQXFVSA-N 2 2 332.492 2.133 20 10 EECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278936355 464008045 /nfs/dbraw/zinc/00/80/45/464008045.db2.gz JQHSWPXZVYBZAT-CHWSQXEVSA-N 2 2 329.400 2.289 20 10 EECDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590273 464721966 /nfs/dbraw/zinc/72/19/66/464721966.db2.gz OWZNSCVOVBRDKP-YPMHNXCESA-N 2 2 342.281 2.051 20 10 EECDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590273 464721970 /nfs/dbraw/zinc/72/19/70/464721970.db2.gz OWZNSCVOVBRDKP-YPMHNXCESA-N 2 2 342.281 2.051 20 10 EECDLP CC[N@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000754043974 577799101 /nfs/dbraw/zinc/79/91/01/577799101.db2.gz WRFAFAQIJLRSIU-IBGZPJMESA-N 2 2 347.503 2.053 20 10 EECDLP CC[N@@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000754043974 577799102 /nfs/dbraw/zinc/79/91/02/577799102.db2.gz WRFAFAQIJLRSIU-IBGZPJMESA-N 2 2 347.503 2.053 20 10 EECDLP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756408702 577843647 /nfs/dbraw/zinc/84/36/47/577843647.db2.gz RJWQOKANIDUQCU-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cc1C ZINC001023024524 679077899 /nfs/dbraw/zinc/07/78/99/679077899.db2.gz ADXRSULUPZETPT-IYBDPMFKSA-N 2 2 342.443 2.015 20 10 EECDLP COCC[NH+]1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858109014 1294009478 /nfs/dbraw/zinc/00/94/78/1294009478.db2.gz OETFIQQPEBQMON-UHFFFAOYSA-N 2 2 327.419 2.231 20 10 EECDLP Oc1cc(O)c(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1O ZINC001237289290 1305883883 /nfs/dbraw/zinc/88/38/83/1305883883.db2.gz MQKWWUIROGBLSG-UHFFFAOYSA-N 2 2 340.423 2.440 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)c1 ZINC001140750255 1314955623 /nfs/dbraw/zinc/95/56/23/1314955623.db2.gz ZCMJXQUPGJBCNE-UHFFFAOYSA-N 2 2 329.400 2.132 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000843114524 1315846405 /nfs/dbraw/zinc/84/64/05/1315846405.db2.gz CXBMSDHFFQMLDA-AWEZNQCLSA-N 2 2 329.238 2.334 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1O ZINC000843114524 1315846409 /nfs/dbraw/zinc/84/64/09/1315846409.db2.gz CXBMSDHFFQMLDA-AWEZNQCLSA-N 2 2 329.238 2.334 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)c(OC)c1 ZINC001208618884 1324596532 /nfs/dbraw/zinc/59/65/32/1324596532.db2.gz UQEQRKPAPFVTGJ-INIZCTEOSA-N 2 2 333.476 2.168 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)c(OC)c1 ZINC001208618884 1324596534 /nfs/dbraw/zinc/59/65/34/1324596534.db2.gz UQEQRKPAPFVTGJ-INIZCTEOSA-N 2 2 333.476 2.168 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)cc3O)CC2)c1 ZINC000093079301 781639401 /nfs/dbraw/zinc/63/94/01/781639401.db2.gz IRDOASICCBJYTM-UHFFFAOYSA-N 2 2 329.400 2.127 20 10 EECDLP CCOc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000093017465 237043684 /nfs/dbraw/zinc/04/36/84/237043684.db2.gz NJFSZTPFOFFEEM-INIZCTEOSA-N 2 2 334.460 2.335 20 10 EECDLP CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000093017465 237043690 /nfs/dbraw/zinc/04/36/90/237043690.db2.gz NJFSZTPFOFFEEM-INIZCTEOSA-N 2 2 334.460 2.335 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3c[nH]nc3C)CC2)cc1 ZINC000120863557 463047788 /nfs/dbraw/zinc/04/77/88/463047788.db2.gz DONBFNXDERTGJV-UHFFFAOYSA-N 2 2 343.475 2.029 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412378 /nfs/dbraw/zinc/41/23/78/464412378.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412383 /nfs/dbraw/zinc/41/23/83/464412383.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412389 /nfs/dbraw/zinc/41/23/89/464412389.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559338 464412393 /nfs/dbraw/zinc/41/23/93/464412393.db2.gz FXRYRVNJPJPEFR-QGZVFWFLSA-N 2 2 335.404 2.227 20 10 EECDLP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(F)cc(F)c1O ZINC000756550094 577846429 /nfs/dbraw/zinc/84/64/29/577846429.db2.gz QBDWIOQXDCALCR-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1O ZINC000756550094 577846430 /nfs/dbraw/zinc/84/64/30/577846430.db2.gz QBDWIOQXDCALCR-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP OC1CCN(c2ccc(C[NH2+]CCCCn3cc[nH+]c3)cc2)CC1 ZINC000876959394 1199830103 /nfs/dbraw/zinc/83/01/03/1199830103.db2.gz RQHFLVUCXJEOIW-UHFFFAOYSA-N 2 2 328.460 2.414 20 10 EECDLP C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001275912486 1205582003 /nfs/dbraw/zinc/58/20/03/1205582003.db2.gz AOBQWZMUQDARCH-UHFFFAOYSA-N 2 2 335.467 2.381 20 10 EECDLP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779966 1305385065 /nfs/dbraw/zinc/38/50/65/1305385065.db2.gz YWYDZWWBOBJTIS-JKSUJKDBSA-N 2 2 341.455 2.228 20 10 EECDLP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779966 1305385076 /nfs/dbraw/zinc/38/50/76/1305385076.db2.gz YWYDZWWBOBJTIS-JKSUJKDBSA-N 2 2 341.455 2.228 20 10 EECDLP C[N@H+](Cc1cc(O)c(Br)cc1O)C1CC[NH+](C)CC1 ZINC001236771556 1305670074 /nfs/dbraw/zinc/67/00/74/1305670074.db2.gz DYHKUFCBWZEVLQ-UHFFFAOYSA-N 2 2 329.238 2.386 20 10 EECDLP C[N@@H+](Cc1cc(O)c(Br)cc1O)C1CC[NH+](C)CC1 ZINC001236771556 1305670093 /nfs/dbraw/zinc/67/00/93/1305670093.db2.gz DYHKUFCBWZEVLQ-UHFFFAOYSA-N 2 2 329.238 2.386 20 10 EECDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236939586 1305739555 /nfs/dbraw/zinc/73/95/55/1305739555.db2.gz SXZIBENYUVKNSU-UHFFFAOYSA-N 3 2 348.510 2.494 20 10 EECDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236939586 1305739558 /nfs/dbraw/zinc/73/95/58/1305739558.db2.gz SXZIBENYUVKNSU-UHFFFAOYSA-N 3 2 348.510 2.494 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237406999 1305922015 /nfs/dbraw/zinc/92/20/15/1305922015.db2.gz WMFZCFYOSSWMRV-QFBILLFUSA-N 2 2 333.451 2.236 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237406999 1305922020 /nfs/dbraw/zinc/92/20/20/1305922020.db2.gz WMFZCFYOSSWMRV-QFBILLFUSA-N 2 2 333.451 2.236 20 10 EECDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)cccc3O)C2)C1 ZINC001237485754 1305954430 /nfs/dbraw/zinc/95/44/30/1305954430.db2.gz LQLCXKXESFXLLJ-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3c(C)cccc3O)C2)C1 ZINC001237485754 1305954435 /nfs/dbraw/zinc/95/44/35/1305954435.db2.gz LQLCXKXESFXLLJ-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3c(C)cccc3O)C2)C1 ZINC001237485754 1305954438 /nfs/dbraw/zinc/95/44/38/1305954438.db2.gz LQLCXKXESFXLLJ-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3c(C)cccc3O)C2)C1 ZINC001237485754 1305954447 /nfs/dbraw/zinc/95/44/47/1305954447.db2.gz LQLCXKXESFXLLJ-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COc1cc(C[N@@H+]2CCc3cccnc3C2)cc(C[NH+](C)C)c1O ZINC001139259015 1314722596 /nfs/dbraw/zinc/72/25/96/1314722596.db2.gz DUZXVZKBQQCYPU-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP COc1cc(C[N@H+]2CCc3cccnc3C2)cc(C[NH+](C)C)c1O ZINC001139259015 1314722597 /nfs/dbraw/zinc/72/25/97/1314722597.db2.gz DUZXVZKBQQCYPU-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001253405440 1317843311 /nfs/dbraw/zinc/84/33/11/1317843311.db2.gz ZQAGMUFATUKKBJ-LBPRGKRZSA-N 2 2 337.851 2.432 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2F)CC1 ZINC001331417553 1335010598 /nfs/dbraw/zinc/01/05/98/1335010598.db2.gz CEJADYKMXWWONQ-KRWDZBQOSA-N 3 2 346.494 2.342 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2F)CC1 ZINC001331417553 1335010605 /nfs/dbraw/zinc/01/06/05/1335010605.db2.gz CEJADYKMXWWONQ-KRWDZBQOSA-N 2 2 346.494 2.342 20 10 EECDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)C1 ZINC001589963548 1349082974 /nfs/dbraw/zinc/08/29/74/1349082974.db2.gz LAZWDSKBKNBVPR-KGLIPLIRSA-N 2 2 344.463 2.343 20 10 EECDLP C[NH+]1CCN(c2ccc(CNC(=O)c3cc4c[nH+]ccc4[nH]3)cc2)CC1 ZINC000829296828 1372273188 /nfs/dbraw/zinc/27/31/88/1372273188.db2.gz OWQWESJJAWNKQY-UHFFFAOYSA-N 2 2 349.438 2.245 20 10 EECDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1(C(=O)OC)CCC1 ZINC000817939444 785086700 /nfs/dbraw/zinc/08/67/00/785086700.db2.gz BFVNOUUHFPDHDK-DLBZAZTESA-N 2 2 333.476 2.464 20 10 EECDLP Oc1ccc2ccncc2c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742162580 578128201 /nfs/dbraw/zinc/12/82/01/578128201.db2.gz VOWHJMHYIPTKEX-HNNXBMFYSA-N 2 2 327.428 2.095 20 10 EECDLP Oc1ccc2ccncc2c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742162580 578128202 /nfs/dbraw/zinc/12/82/02/578128202.db2.gz VOWHJMHYIPTKEX-HNNXBMFYSA-N 2 2 327.428 2.095 20 10 EECDLP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)cc1C ZINC001045219463 1233588815 /nfs/dbraw/zinc/58/88/15/1233588815.db2.gz OIEOIIURDLWFSL-KRWDZBQOSA-N 2 2 342.443 2.050 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1C ZINC001000314561 1240159746 /nfs/dbraw/zinc/15/97/46/1240159746.db2.gz YPGCXJRFOVQBRI-INIZCTEOSA-N 2 2 342.443 2.050 20 10 EECDLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1cc(Cl)c(O)cc1O)CC2 ZINC001232259491 1304056756 /nfs/dbraw/zinc/05/67/56/1304056756.db2.gz DAWRMJQPGSNULR-UHFFFAOYSA-N 2 2 339.823 2.381 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)c(F)c2)CC1 ZINC001236943459 1305740879 /nfs/dbraw/zinc/74/08/79/1305740879.db2.gz RUPJRQAHVOCMDR-LJQANCHMSA-N 2 2 333.451 2.188 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)c(F)c2)CC1 ZINC001236943459 1305740885 /nfs/dbraw/zinc/74/08/85/1305740885.db2.gz RUPJRQAHVOCMDR-LJQANCHMSA-N 2 2 333.451 2.188 20 10 EECDLP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055646 1350842061 /nfs/dbraw/zinc/84/20/61/1350842061.db2.gz REGVYQXLSRGQKC-ZENOOKHLSA-N 2 2 344.463 2.486 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055638 1350842195 /nfs/dbraw/zinc/84/21/95/1350842195.db2.gz REGVYQXLSRGQKC-IOASZLSFSA-N 2 2 344.463 2.486 20 10 EECDLP Oc1c(F)cc(F)cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000893940880 780322897 /nfs/dbraw/zinc/32/28/97/780322897.db2.gz SMRPSXBSAFUJPU-UHFFFAOYSA-N 2 2 326.387 2.215 20 10 EECDLP COC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000162829179 694367373 /nfs/dbraw/zinc/36/73/73/694367373.db2.gz GHEIBTVCADELLE-HXUWFJFHSA-N 2 2 349.519 2.468 20 10 EECDLP COC[C@@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000162836864 694418392 /nfs/dbraw/zinc/41/83/92/694418392.db2.gz SBVBTNOSSYEREN-HXUWFJFHSA-N 2 2 347.503 2.222 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cc1C ZINC000989493972 691986447 /nfs/dbraw/zinc/98/64/47/691986447.db2.gz XZRFMXNNQPWPEN-RHSMWYFYSA-N 2 2 342.443 2.048 20 10 EECDLP COCc1nc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cs1 ZINC000810169875 1199309306 /nfs/dbraw/zinc/30/93/06/1199309306.db2.gz AYESALLLNVLWHY-UHFFFAOYSA-N 2 2 346.500 2.331 20 10 EECDLP CC(C)C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000876506939 1199649901 /nfs/dbraw/zinc/64/99/01/1199649901.db2.gz RGEKCSQLQFCADI-QZTJIDSGSA-N 2 2 343.475 2.353 20 10 EECDLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080742 1205764432 /nfs/dbraw/zinc/76/44/32/1205764432.db2.gz TYUBIUZZBOOIHN-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080742 1205764433 /nfs/dbraw/zinc/76/44/33/1205764433.db2.gz TYUBIUZZBOOIHN-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080742 1205764435 /nfs/dbraw/zinc/76/44/35/1205764435.db2.gz TYUBIUZZBOOIHN-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080742 1205764436 /nfs/dbraw/zinc/76/44/36/1205764436.db2.gz TYUBIUZZBOOIHN-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843051102 1315829931 /nfs/dbraw/zinc/82/99/31/1315829931.db2.gz DZRGUPYCZPMBIK-CABZTGNLSA-N 2 2 329.238 2.332 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1O ZINC000843051102 1315829935 /nfs/dbraw/zinc/82/99/35/1315829935.db2.gz DZRGUPYCZPMBIK-CABZTGNLSA-N 2 2 329.238 2.332 20 10 EECDLP COc1ccc(N2CC[NH+](CCCNc3ccc(N)[nH+]c3)CC2)cc1 ZINC001164334720 1321354083 /nfs/dbraw/zinc/35/40/83/1321354083.db2.gz ZAMYRAGDHSOFBR-UHFFFAOYSA-N 2 2 341.459 2.297 20 10 EECDLP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203879891 1321981166 /nfs/dbraw/zinc/98/11/66/1321981166.db2.gz JQDMDESSGYINBE-UHFFFAOYSA-N 2 2 335.492 2.337 20 10 EECDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221832 1334046132 /nfs/dbraw/zinc/04/61/32/1334046132.db2.gz KENPOFIMTAFQQV-WBVHZDCISA-N 3 2 334.483 2.137 20 10 EECDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221832 1334046134 /nfs/dbraw/zinc/04/61/34/1334046134.db2.gz KENPOFIMTAFQQV-WBVHZDCISA-N 3 2 334.483 2.137 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000848718630 1338746884 /nfs/dbraw/zinc/74/68/84/1338746884.db2.gz OORYTQUYAFTYRH-QZTJIDSGSA-N 3 2 346.519 2.067 20 10 EECDLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825519230 788663148 /nfs/dbraw/zinc/66/31/48/788663148.db2.gz BGMBCVWMRYFGAE-UHFFFAOYSA-N 2 2 343.265 2.091 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000093079180 533066763 /nfs/dbraw/zinc/06/67/63/533066763.db2.gz PCWNXPVQOIFUAJ-UHFFFAOYSA-N 2 2 329.400 2.127 20 10 EECDLP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191202223 285316164 /nfs/dbraw/zinc/31/61/64/285316164.db2.gz LCXKVDLWJGGVFJ-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000271889162 464401344 /nfs/dbraw/zinc/40/13/44/464401344.db2.gz VKVCUUCSXSBEHE-ROUUACIJSA-N 2 2 347.503 2.364 20 10 EECDLP COc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741259336 578115701 /nfs/dbraw/zinc/11/57/01/578115701.db2.gz WNGNZRCCTRDTFA-FQEVSTJZSA-N 2 2 342.439 2.127 20 10 EECDLP COc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741259336 578115702 /nfs/dbraw/zinc/11/57/02/578115702.db2.gz WNGNZRCCTRDTFA-FQEVSTJZSA-N 2 2 342.439 2.127 20 10 EECDLP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000873294309 1198553597 /nfs/dbraw/zinc/55/35/97/1198553597.db2.gz UOTIPFYUJABFMU-AAEUAGOBSA-N 2 2 326.387 2.480 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c[nH+]ccc1N ZINC000925762067 1206151836 /nfs/dbraw/zinc/15/18/36/1206151836.db2.gz GEFBLVGLVHCQMT-OAHLLOKOSA-N 3 2 325.460 2.097 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cnccc1N ZINC000925762067 1206151839 /nfs/dbraw/zinc/15/18/39/1206151839.db2.gz GEFBLVGLVHCQMT-OAHLLOKOSA-N 2 2 325.460 2.097 20 10 EECDLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1F ZINC001276359928 1213968055 /nfs/dbraw/zinc/96/80/55/1213968055.db2.gz NRFCNEBLJGWSNB-GOOCMWNKSA-N 2 2 338.423 2.237 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393033 1305916741 /nfs/dbraw/zinc/91/67/41/1305916741.db2.gz QIRVVQWUABQFSP-WBVHZDCISA-N 3 2 333.476 2.036 20 10 EECDLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393033 1305916744 /nfs/dbraw/zinc/91/67/44/1305916744.db2.gz QIRVVQWUABQFSP-WBVHZDCISA-N 3 2 333.476 2.036 20 10 EECDLP CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001161135499 1320398254 /nfs/dbraw/zinc/39/82/54/1320398254.db2.gz WYZJFYUKOMWRPI-LJQANCHMSA-N 2 2 340.471 2.373 20 10 EECDLP Cc1cc(O)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1C ZINC000843118778 1315847209 /nfs/dbraw/zinc/84/72/09/1315847209.db2.gz OHRCRVLXUIUOMG-UHFFFAOYSA-N 2 2 341.459 2.083 20 10 EECDLP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157435632 1318640506 /nfs/dbraw/zinc/64/05/06/1318640506.db2.gz UMAWIVUJTOKQFS-RHSMWYFYSA-N 2 2 342.443 2.042 20 10 EECDLP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001140744574 1372661309 /nfs/dbraw/zinc/66/13/09/1372661309.db2.gz CJUQDULHFMTWDW-CALCHBBNSA-N 2 2 339.439 2.365 20 10 EECDLP Cc1c(O)ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001140744574 1372661317 /nfs/dbraw/zinc/66/13/17/1372661317.db2.gz CJUQDULHFMTWDW-CALCHBBNSA-N 2 2 339.439 2.365 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001140744574 1372661322 /nfs/dbraw/zinc/66/13/22/1372661322.db2.gz CJUQDULHFMTWDW-CALCHBBNSA-N 2 2 339.439 2.365 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001140744574 1372661325 /nfs/dbraw/zinc/66/13/25/1372661325.db2.gz CJUQDULHFMTWDW-CALCHBBNSA-N 2 2 339.439 2.365 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)cc(F)c1O ZINC000894095090 780528635 /nfs/dbraw/zinc/52/86/35/780528635.db2.gz PQSAIZKFPQESAZ-BMFZPTHFSA-N 2 2 326.387 2.354 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)cc(F)c1O ZINC000894095090 780528644 /nfs/dbraw/zinc/52/86/44/780528644.db2.gz PQSAIZKFPQESAZ-BMFZPTHFSA-N 2 2 326.387 2.354 20 10 EECDLP c1cc(N2CCSCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817887724 785022296 /nfs/dbraw/zinc/02/22/96/785022296.db2.gz CWLLDMDUNVVFSN-RBUKOAKNSA-N 2 2 347.528 2.096 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1C ZINC001146773357 791475122 /nfs/dbraw/zinc/47/51/22/791475122.db2.gz XJWSTTLHWHYXNU-HOTGVXAUSA-N 2 2 344.459 2.273 20 10 EECDLP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000191202243 285316174 /nfs/dbraw/zinc/31/61/74/285316174.db2.gz LCXKVDLWJGGVFJ-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP CCOc1cccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1O ZINC000529663257 467892167 /nfs/dbraw/zinc/89/21/67/467892167.db2.gz IEKGBUUZQDUTSF-UHFFFAOYSA-N 2 2 334.460 2.478 20 10 EECDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000769999726 577588623 /nfs/dbraw/zinc/58/86/23/577588623.db2.gz BPNKJMBHCKDSOP-STQMWFEESA-N 2 2 327.419 2.347 20 10 EECDLP CCC[N@H+](C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000754028240 577798890 /nfs/dbraw/zinc/79/88/90/577798890.db2.gz SRZDXTJNDONWQT-LJQANCHMSA-N 2 2 347.503 2.053 20 10 EECDLP CCC[N@@H+](C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000754028240 577798891 /nfs/dbraw/zinc/79/88/91/577798891.db2.gz SRZDXTJNDONWQT-LJQANCHMSA-N 2 2 347.503 2.053 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000754062437 577799520 /nfs/dbraw/zinc/79/95/20/577799520.db2.gz SRJRDFLPXGJJCO-ZIFCJYIRSA-N 2 2 347.503 2.051 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000754062437 577799521 /nfs/dbraw/zinc/79/95/21/577799521.db2.gz SRJRDFLPXGJJCO-ZIFCJYIRSA-N 2 2 347.503 2.051 20 10 EECDLP COc1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1O ZINC000827549963 1248428374 /nfs/dbraw/zinc/42/83/74/1248428374.db2.gz ZGPCJDBFDOCZEY-OAHLLOKOSA-N 2 2 340.851 2.397 20 10 EECDLP COc1cc(C[N@@H+]2CCc3ncsc3C2)cc(C[NH+](C)C)c1O ZINC001139257476 1314721960 /nfs/dbraw/zinc/72/19/60/1314721960.db2.gz CCEMTBGFRIIWCB-UHFFFAOYSA-N 2 2 333.457 2.477 20 10 EECDLP COc1cc(C[N@H+]2CCc3ncsc3C2)cc(C[NH+](C)C)c1O ZINC001139257476 1314721961 /nfs/dbraw/zinc/72/19/61/1314721961.db2.gz CCEMTBGFRIIWCB-UHFFFAOYSA-N 2 2 333.457 2.477 20 10 EECDLP COC(=O)Cc1ccc(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c(O)c1 ZINC001249185050 1317019387 /nfs/dbraw/zinc/01/93/87/1317019387.db2.gz HAJUEVMEOIXNJG-UHFFFAOYSA-N 2 2 344.455 2.025 20 10 EECDLP COC(=O)Cc1ccc(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c(O)c1 ZINC001249185050 1317019399 /nfs/dbraw/zinc/01/93/99/1317019399.db2.gz HAJUEVMEOIXNJG-UHFFFAOYSA-N 2 2 344.455 2.025 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000848718634 1338746863 /nfs/dbraw/zinc/74/68/63/1338746863.db2.gz OORYTQUYAFTYRH-ZWKOTPCHSA-N 3 2 346.519 2.067 20 10 EECDLP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH3+])c3ccc(N(C)C)cc3)ccn12 ZINC000852792085 1369301881 /nfs/dbraw/zinc/30/18/81/1369301881.db2.gz RFTXQZZCWNRKFB-KRWDZBQOSA-N 2 2 337.427 2.139 20 10 EECDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790989404 809014626 /nfs/dbraw/zinc/01/46/26/809014626.db2.gz CRWCANSQWIZNAE-LBPRGKRZSA-N 2 2 329.847 2.300 20 10 EECDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1O ZINC000155560058 462909735 /nfs/dbraw/zinc/90/97/35/462909735.db2.gz FDKVKUWCHFKAJG-DLBZAZTESA-N 2 2 333.476 2.376 20 10 EECDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1O ZINC000155560058 462909737 /nfs/dbraw/zinc/90/97/37/462909737.db2.gz FDKVKUWCHFKAJG-DLBZAZTESA-N 2 2 333.476 2.376 20 10 EECDLP CCN(C)c1ccc([C@H](C)[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000160377632 463333083 /nfs/dbraw/zinc/33/30/83/463333083.db2.gz BXONNCKBJGYRKW-INIZCTEOSA-N 2 2 346.519 2.346 20 10 EECDLP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268888002 463796545 /nfs/dbraw/zinc/79/65/45/463796545.db2.gz IZBZVDVSDJQQGU-YJBOKZPZSA-N 2 2 332.492 2.133 20 10 EECDLP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268888002 463796546 /nfs/dbraw/zinc/79/65/46/463796546.db2.gz IZBZVDVSDJQQGU-YJBOKZPZSA-N 2 2 332.492 2.133 20 10 EECDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1O ZINC000273362557 464712975 /nfs/dbraw/zinc/71/29/75/464712975.db2.gz DFHXPIQPMKNNJD-YPMHNXCESA-N 2 2 343.265 2.262 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)cc1C ZINC000987267216 689555670 /nfs/dbraw/zinc/55/56/70/689555670.db2.gz MONBBVLERWRDGE-GOEBONIOSA-N 2 2 342.443 2.048 20 10 EECDLP C[NH+](C)[C@@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCSC1 ZINC000877074252 1199858382 /nfs/dbraw/zinc/85/83/82/1199858382.db2.gz DPYUJVAVNZUVCC-LJQANCHMSA-N 2 2 349.544 2.175 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000779065768 1208488467 /nfs/dbraw/zinc/48/84/67/1208488467.db2.gz PIYLYLOARSHVPP-INIZCTEOSA-N 2 2 326.444 2.465 20 10 EECDLP COc1cc(O)c(C[NH+]2CCN(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC001236804149 1305681522 /nfs/dbraw/zinc/68/15/22/1305681522.db2.gz SKCONRANEFKQBG-UHFFFAOYSA-N 2 2 341.883 2.124 20 10 EECDLP [NH3+][C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000843116353 1315846607 /nfs/dbraw/zinc/84/66/07/1315846607.db2.gz WNRVGTLQHNIJIY-LEWJYISDSA-N 2 2 337.467 2.450 20 10 EECDLP [NH3+][C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1c1ccccc1 ZINC000843116353 1315846608 /nfs/dbraw/zinc/84/66/08/1315846608.db2.gz WNRVGTLQHNIJIY-LEWJYISDSA-N 2 2 337.467 2.450 20 10 EECDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809753268 783361725 /nfs/dbraw/zinc/36/17/25/783361725.db2.gz OLDOXRYCLAUQAF-UHFFFAOYSA-N 2 2 332.423 2.381 20 10 EECDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809753268 783361734 /nfs/dbraw/zinc/36/17/34/783361734.db2.gz OLDOXRYCLAUQAF-UHFFFAOYSA-N 2 2 332.423 2.381 20 10 EECDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391526 786724693 /nfs/dbraw/zinc/72/46/93/786724693.db2.gz NMCIPCYLPUFDQJ-ZWKOTPCHSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391526 786724701 /nfs/dbraw/zinc/72/47/01/786724701.db2.gz NMCIPCYLPUFDQJ-ZWKOTPCHSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391526 786724707 /nfs/dbraw/zinc/72/47/07/786724707.db2.gz NMCIPCYLPUFDQJ-ZWKOTPCHSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391526 786724716 /nfs/dbraw/zinc/72/47/16/786724716.db2.gz NMCIPCYLPUFDQJ-ZWKOTPCHSA-N 2 2 336.476 2.074 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206163532 796935499 /nfs/dbraw/zinc/93/54/99/796935499.db2.gz DGWXXJFXBWRLKZ-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c1O ZINC001206163532 796935504 /nfs/dbraw/zinc/93/55/04/796935504.db2.gz DGWXXJFXBWRLKZ-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc[nH]c3)CC2)cc1 ZINC000175694940 464603387 /nfs/dbraw/zinc/60/33/87/464603387.db2.gz OITXMAYZMIDIFU-UHFFFAOYSA-N 2 2 328.460 2.325 20 10 EECDLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000366459112 465740337 /nfs/dbraw/zinc/74/03/37/465740337.db2.gz WKERLSNCXCOPGH-HKUYNNGSSA-N 2 2 347.503 2.148 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369683987 466745085 /nfs/dbraw/zinc/74/50/85/466745085.db2.gz QZEUFJVQNFJOOG-ZDUSSCGKSA-N 2 2 346.387 2.422 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369683987 466745088 /nfs/dbraw/zinc/74/50/88/466745088.db2.gz QZEUFJVQNFJOOG-ZDUSSCGKSA-N 2 2 346.387 2.422 20 10 EECDLP CCCOc1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(O)c1 ZINC000093412920 528662395 /nfs/dbraw/zinc/66/23/95/528662395.db2.gz JEEXOKRFJUWHEI-UHFFFAOYSA-N 2 2 336.476 2.460 20 10 EECDLP CCCOc1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(O)c1 ZINC000093412920 528662405 /nfs/dbraw/zinc/66/24/05/528662405.db2.gz JEEXOKRFJUWHEI-UHFFFAOYSA-N 2 2 336.476 2.460 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)N[C@@H](C)CC[NH+](C)C)CC2)cc1 ZINC000726709188 576290612 /nfs/dbraw/zinc/29/06/12/576290612.db2.gz PIRBKGJLDYYSJR-HNNXBMFYSA-N 2 2 348.491 2.303 20 10 EECDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775648070 577441826 /nfs/dbraw/zinc/44/18/26/577441826.db2.gz PCZGUYFFILQYBO-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775648070 577441827 /nfs/dbraw/zinc/44/18/27/577441827.db2.gz PCZGUYFFILQYBO-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cc1 ZINC000742248638 577870061 /nfs/dbraw/zinc/87/00/61/577870061.db2.gz BKELAWCRYNYPLR-UHFFFAOYSA-N 2 2 331.460 2.122 20 10 EECDLP Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)C[NH+]1CCCC1 ZINC000749299789 577974208 /nfs/dbraw/zinc/97/42/08/577974208.db2.gz ZQVRRSLFPUMOKU-QGZVFWFLSA-N 2 2 330.428 2.444 20 10 EECDLP Oc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)C[NH+]1CCCC1 ZINC000749299789 577974209 /nfs/dbraw/zinc/97/42/09/577974209.db2.gz ZQVRRSLFPUMOKU-QGZVFWFLSA-N 2 2 330.428 2.444 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000925775845 1206153143 /nfs/dbraw/zinc/15/31/43/1206153143.db2.gz BECQFVGKOROYLO-HNAYVOBHSA-N 2 2 344.503 2.009 20 10 EECDLP CC(C)(C)c1cc(O)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1Cl ZINC001235005413 1305083403 /nfs/dbraw/zinc/08/34/03/1305083403.db2.gz HEFZRRLLSVTLFF-ACJLOTCBSA-N 2 2 338.879 2.357 20 10 EECDLP CC(C)(C)c1cc(O)c(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1Cl ZINC001235005413 1305083410 /nfs/dbraw/zinc/08/34/10/1305083410.db2.gz HEFZRRLLSVTLFF-ACJLOTCBSA-N 2 2 338.879 2.357 20 10 EECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236917867 1305727266 /nfs/dbraw/zinc/72/72/66/1305727266.db2.gz BTJUFMBRELXGCV-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236917867 1305727274 /nfs/dbraw/zinc/72/72/74/1305727274.db2.gz BTJUFMBRELXGCV-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236917867 1305727285 /nfs/dbraw/zinc/72/72/85/1305727285.db2.gz BTJUFMBRELXGCV-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3Cl)C[C@@H]2C1 ZINC001236917867 1305727295 /nfs/dbraw/zinc/72/72/95/1305727295.db2.gz BTJUFMBRELXGCV-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3ncccn3)cc2)CC1 ZINC001140300743 1314858833 /nfs/dbraw/zinc/85/88/33/1314858833.db2.gz QSZMFNTYYKIHHN-UHFFFAOYSA-N 2 2 325.460 2.251 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ncccn3)cc2)CC1 ZINC001140300743 1314858839 /nfs/dbraw/zinc/85/88/39/1314858839.db2.gz QSZMFNTYYKIHHN-UHFFFAOYSA-N 2 2 325.460 2.251 20 10 EECDLP C[NH+](C)CCN1CCC12C[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001276498707 1323637705 /nfs/dbraw/zinc/63/77/05/1323637705.db2.gz ZKPXNEDUCAZHQX-UHFFFAOYSA-N 2 2 343.393 2.233 20 10 EECDLP COCCC1(C)C[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001344570459 1337401300 /nfs/dbraw/zinc/40/13/00/1337401300.db2.gz VCEPKWSOOJDPIU-UHFFFAOYSA-N 2 2 335.467 2.436 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055641 1350842146 /nfs/dbraw/zinc/84/21/46/1350842146.db2.gz REGVYQXLSRGQKC-WWGRRREGSA-N 2 2 344.463 2.486 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001752905148 1406532422 /nfs/dbraw/zinc/53/24/22/1406532422.db2.gz OKCDCPQNSFYLCU-LSDHHAIUSA-N 2 2 344.459 2.200 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001752905148 1406532430 /nfs/dbraw/zinc/53/24/30/1406532430.db2.gz OKCDCPQNSFYLCU-LSDHHAIUSA-N 2 2 344.459 2.200 20 10 EECDLP CCOC(=O)[C@H](C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000787442893 807121447 /nfs/dbraw/zinc/12/14/47/807121447.db2.gz XNYPDNGROPEKBX-INIZCTEOSA-N 2 2 345.487 2.354 20 10 EECDLP CCOC(=O)[C@H](C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000787442893 807121452 /nfs/dbraw/zinc/12/14/52/807121452.db2.gz XNYPDNGROPEKBX-INIZCTEOSA-N 2 2 345.487 2.354 20 10 EECDLP COc1ccc(C[NH2+]CCNC(=O)c2cccc3[nH+]ccn32)cc1C ZINC001131270071 812618791 /nfs/dbraw/zinc/61/87/91/812618791.db2.gz BZOJHTYJNRKPFI-UHFFFAOYSA-N 2 2 338.411 2.171 20 10 EECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(F)ccc1O ZINC000285540089 464603152 /nfs/dbraw/zinc/60/31/52/464603152.db2.gz DEDJWFVFYDJPHT-WWTUQBGBSA-N 2 2 349.450 2.266 20 10 EECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(F)ccc1O ZINC000285540089 464603154 /nfs/dbraw/zinc/60/31/54/464603154.db2.gz DEDJWFVFYDJPHT-WWTUQBGBSA-N 2 2 349.450 2.266 20 10 EECDLP CCc1cccc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1O ZINC000895551949 684640082 /nfs/dbraw/zinc/64/00/82/684640082.db2.gz LSJSEVCOEABBQW-UHFFFAOYSA-N 2 2 345.487 2.260 20 10 EECDLP COC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000162829311 694353424 /nfs/dbraw/zinc/35/34/24/694353424.db2.gz GHEIBTVCADELLE-FQEVSTJZSA-N 2 2 349.519 2.468 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000883370449 1202054581 /nfs/dbraw/zinc/05/45/81/1202054581.db2.gz LNZXQWVYMXQRKW-MSOLQXFVSA-N 2 2 347.503 2.148 20 10 EECDLP CC(C)(C)c1cc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235065731 1305103546 /nfs/dbraw/zinc/10/35/46/1305103546.db2.gz YEZYKTJVZYCVMU-SFHVURJKSA-N 2 2 337.895 2.480 20 10 EECDLP CC(C)(C)c1cc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC001235065731 1305103547 /nfs/dbraw/zinc/10/35/47/1305103547.db2.gz YEZYKTJVZYCVMU-SFHVURJKSA-N 2 2 337.895 2.480 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766109 1304575613 /nfs/dbraw/zinc/57/56/13/1304575613.db2.gz SQXDJDDLKRWRPS-XJKSGUPXSA-N 2 2 337.439 2.159 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766109 1304575616 /nfs/dbraw/zinc/57/56/16/1304575616.db2.gz SQXDJDDLKRWRPS-XJKSGUPXSA-N 2 2 337.439 2.159 20 10 EECDLP Cc1[nH+]cc2n1CCN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001236935732 1305737071 /nfs/dbraw/zinc/73/70/71/1305737071.db2.gz LMTQHXREMIIHQC-UHFFFAOYSA-N 2 2 343.450 2.098 20 10 EECDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001118808968 1308945221 /nfs/dbraw/zinc/94/52/21/1308945221.db2.gz ZRJHAIXKHWNWJF-KFWWJZLASA-N 2 2 331.460 2.178 20 10 EECDLP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001118808968 1308945229 /nfs/dbraw/zinc/94/52/29/1308945229.db2.gz ZRJHAIXKHWNWJF-KFWWJZLASA-N 2 2 331.460 2.178 20 10 EECDLP CCOC(=O)C[N@H+](CC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305823 1314863547 /nfs/dbraw/zinc/86/35/47/1314863547.db2.gz HSEVPQURZMOUNG-UHFFFAOYSA-N 2 2 333.476 2.214 20 10 EECDLP CCOC(=O)C[N@@H+](CC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140305823 1314863552 /nfs/dbraw/zinc/86/35/52/1314863552.db2.gz HSEVPQURZMOUNG-UHFFFAOYSA-N 2 2 333.476 2.214 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747124 1315608049 /nfs/dbraw/zinc/60/80/49/1315608049.db2.gz OCLTZNQCIMBGHH-OLZOCXBDSA-N 2 2 339.867 2.284 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747124 1315608052 /nfs/dbraw/zinc/60/80/52/1315608052.db2.gz OCLTZNQCIMBGHH-OLZOCXBDSA-N 2 2 339.867 2.284 20 10 EECDLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603663052 1350737759 /nfs/dbraw/zinc/73/77/59/1350737759.db2.gz SOPLBNMHZMJLLV-ZDUSSCGKSA-N 2 2 330.436 2.099 20 10 EECDLP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(F)ccc(F)c1O ZINC001139682774 1371683924 /nfs/dbraw/zinc/68/39/24/1371683924.db2.gz BZYGJMRHXDHOEO-UHFFFAOYSA-N 2 2 329.435 2.376 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000817902991 785056118 /nfs/dbraw/zinc/05/61/18/785056118.db2.gz DEMLZBRJAJUWEK-NVXWUHKLSA-N 2 2 333.476 2.021 20 10 EECDLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@H]1C ZINC000817942513 785090318 /nfs/dbraw/zinc/09/03/18/785090318.db2.gz PHSPTMDOISUVCZ-IKICRFKJSA-N 2 2 333.476 2.320 20 10 EECDLP [NH3+][C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@H]1F ZINC001206200443 797448979 /nfs/dbraw/zinc/44/89/79/797448979.db2.gz RQTULKKFWURPMJ-MNOVXSKESA-N 2 2 333.201 2.122 20 10 EECDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@H]1F ZINC001206200443 797448982 /nfs/dbraw/zinc/44/89/82/797448982.db2.gz RQTULKKFWURPMJ-MNOVXSKESA-N 2 2 333.201 2.122 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccncc3)CC2)cc1 ZINC000102560390 237071909 /nfs/dbraw/zinc/07/19/09/237071909.db2.gz UVYSLEPMAQXLRO-UHFFFAOYSA-N 2 2 340.471 2.392 20 10 EECDLP CC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030162 577798919 /nfs/dbraw/zinc/79/89/19/577798919.db2.gz LOSRLMPNOCLFEM-PKOBYXMFSA-N 2 2 347.503 2.053 20 10 EECDLP CC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030162 577798920 /nfs/dbraw/zinc/79/89/20/577798920.db2.gz LOSRLMPNOCLFEM-PKOBYXMFSA-N 2 2 347.503 2.053 20 10 EECDLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000904462212 694395321 /nfs/dbraw/zinc/39/53/21/694395321.db2.gz SDKCDECARDSXIB-UYAOXDASSA-N 2 2 341.430 2.377 20 10 EECDLP C[NH+](C)[C@]1(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CCSC1 ZINC000877074251 1199858662 /nfs/dbraw/zinc/85/86/62/1199858662.db2.gz DPYUJVAVNZUVCC-IBGZPJMESA-N 2 2 349.544 2.175 20 10 EECDLP Oc1ccccc1C[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275267050 1205294277 /nfs/dbraw/zinc/29/42/77/1205294277.db2.gz JZDBWCXWNVKYRC-UHFFFAOYSA-N 2 2 326.444 2.187 20 10 EECDLP Oc1ccccc1C[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275267050 1205294279 /nfs/dbraw/zinc/29/42/79/1205294279.db2.gz JZDBWCXWNVKYRC-UHFFFAOYSA-N 2 2 326.444 2.187 20 10 EECDLP C[C@@H]1CCCN(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001308200741 1331572358 /nfs/dbraw/zinc/57/23/58/1331572358.db2.gz RRAGJASWKBJACY-QGZVFWFLSA-N 2 2 348.510 2.399 20 10 EECDLP C[C@@H]1CCC[N@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001308200741 1331572360 /nfs/dbraw/zinc/57/23/60/1331572360.db2.gz RRAGJASWKBJACY-QGZVFWFLSA-N 2 2 348.510 2.399 20 10 EECDLP C[C@@H]1CCC[N@@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001308200741 1331572361 /nfs/dbraw/zinc/57/23/61/1331572361.db2.gz RRAGJASWKBJACY-QGZVFWFLSA-N 2 2 348.510 2.399 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204582 1331572905 /nfs/dbraw/zinc/57/29/05/1331572905.db2.gz ACRRMGMCQRUGOM-UXHICEINSA-N 3 2 328.504 2.155 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204582 1331572909 /nfs/dbraw/zinc/57/29/09/1331572909.db2.gz ACRRMGMCQRUGOM-UXHICEINSA-N 3 2 328.504 2.155 20 10 EECDLP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465623 1349340944 /nfs/dbraw/zinc/34/09/44/1349340944.db2.gz HMTFGIZMDUFGPA-INIZCTEOSA-N 2 2 344.463 2.487 20 10 EECDLP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465623 1349340949 /nfs/dbraw/zinc/34/09/49/1349340949.db2.gz HMTFGIZMDUFGPA-INIZCTEOSA-N 2 2 344.463 2.487 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206200972 797476212 /nfs/dbraw/zinc/47/62/12/797476212.db2.gz UUAYXFFZAWDHDS-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1Br ZINC001206200972 797476216 /nfs/dbraw/zinc/47/62/16/797476216.db2.gz UUAYXFFZAWDHDS-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP COc1c(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1[N+](=O)[O-] ZINC000289577895 464086137 /nfs/dbraw/zinc/08/61/37/464086137.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 2 2 335.404 2.366 20 10 EECDLP COc1c(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1[N+](=O)[O-] ZINC000289577895 464086143 /nfs/dbraw/zinc/08/61/43/464086143.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 2 2 335.404 2.366 20 10 EECDLP COc1c(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000289577895 464086149 /nfs/dbraw/zinc/08/61/49/464086149.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 2 2 335.404 2.366 20 10 EECDLP COc1c(O)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000289577895 464086155 /nfs/dbraw/zinc/08/61/55/464086155.db2.gz JUZGJEWIPAONTB-PBWFPOADSA-N 2 2 335.404 2.366 20 10 EECDLP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1O ZINC000187746748 464158979 /nfs/dbraw/zinc/15/89/79/464158979.db2.gz MAJHHERDEBZHLN-LBPRGKRZSA-N 2 2 327.419 2.347 20 10 EECDLP COc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741259337 578115690 /nfs/dbraw/zinc/11/56/90/578115690.db2.gz WNGNZRCCTRDTFA-HXUWFJFHSA-N 2 2 342.439 2.127 20 10 EECDLP COc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741259337 578115691 /nfs/dbraw/zinc/11/56/91/578115691.db2.gz WNGNZRCCTRDTFA-HXUWFJFHSA-N 2 2 342.439 2.127 20 10 EECDLP Cc1cccc(O)c1C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000895549870 684635872 /nfs/dbraw/zinc/63/58/72/684635872.db2.gz BIMMYTMLAIODJC-UHFFFAOYSA-N 2 2 331.460 2.006 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)cc1C ZINC000989613789 692087282 /nfs/dbraw/zinc/08/72/82/692087282.db2.gz WEEIDNWCVIEKJC-GOEBONIOSA-N 2 2 342.443 2.048 20 10 EECDLP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000873294312 1198553820 /nfs/dbraw/zinc/55/38/20/1198553820.db2.gz UOTIPFYUJABFMU-YPMHNXCESA-N 2 2 326.387 2.480 20 10 EECDLP COc1ccc(Br)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001231556732 1303844126 /nfs/dbraw/zinc/84/41/26/1303844126.db2.gz MNHXDZBFAIJTRE-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP COc1ccc(Br)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001231556732 1303844128 /nfs/dbraw/zinc/84/41/28/1303844128.db2.gz MNHXDZBFAIJTRE-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP COc1ccc(Br)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC001231556732 1303844131 /nfs/dbraw/zinc/84/41/31/1303844131.db2.gz MNHXDZBFAIJTRE-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP COc1ccc(Br)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC001231556732 1303844133 /nfs/dbraw/zinc/84/41/33/1303844133.db2.gz MNHXDZBFAIJTRE-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP Oc1c(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001236061351 1305488066 /nfs/dbraw/zinc/48/80/66/1305488066.db2.gz QOUFDTQCDFSMBE-YOEHRIQHSA-N 2 2 327.472 2.275 20 10 EECDLP Oc1c(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001236061351 1305488075 /nfs/dbraw/zinc/48/80/75/1305488075.db2.gz QOUFDTQCDFSMBE-YOEHRIQHSA-N 2 2 327.472 2.275 20 10 EECDLP CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCO1 ZINC001236943855 1305740921 /nfs/dbraw/zinc/74/09/21/1305740921.db2.gz WWXXMVYZLHKDEM-IBGZPJMESA-N 2 2 335.467 2.434 20 10 EECDLP CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCO1 ZINC001236943855 1305740927 /nfs/dbraw/zinc/74/09/27/1305740927.db2.gz WWXXMVYZLHKDEM-IBGZPJMESA-N 2 2 335.467 2.434 20 10 EECDLP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116938827 1305933308 /nfs/dbraw/zinc/93/33/08/1305933308.db2.gz VRRMGJCISSWGLF-UHFFFAOYSA-N 3 2 345.466 2.262 20 10 EECDLP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001116938827 1305933313 /nfs/dbraw/zinc/93/33/13/1305933313.db2.gz VRRMGJCISSWGLF-UHFFFAOYSA-N 2 2 345.466 2.262 20 10 EECDLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000841043293 1315461442 /nfs/dbraw/zinc/46/14/42/1315461442.db2.gz QSHPKPDXJIQRMM-INIZCTEOSA-N 2 2 345.443 2.265 20 10 EECDLP COc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001203590500 1321918507 /nfs/dbraw/zinc/91/85/07/1321918507.db2.gz ZWBVIJMMPJGKLH-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001203590500 1321918510 /nfs/dbraw/zinc/91/85/10/1321918510.db2.gz ZWBVIJMMPJGKLH-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001203590500 1321918513 /nfs/dbraw/zinc/91/85/13/1321918513.db2.gz ZWBVIJMMPJGKLH-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001203590500 1321918515 /nfs/dbraw/zinc/91/85/15/1321918515.db2.gz ZWBVIJMMPJGKLH-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2F)CC1 ZINC001261506377 1322116342 /nfs/dbraw/zinc/11/63/42/1322116342.db2.gz QGRCDACEEQYJQR-PXNSSMCTSA-N 3 2 346.494 2.138 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2F)CC1 ZINC001261506377 1322116363 /nfs/dbraw/zinc/11/63/63/1322116363.db2.gz QGRCDACEEQYJQR-PXNSSMCTSA-N 3 2 346.494 2.138 20 10 EECDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589956871 1349078227 /nfs/dbraw/zinc/07/82/27/1349078227.db2.gz PXQZKKHLMAQFKV-YNEHKIRRSA-N 2 2 330.436 2.096 20 10 EECDLP Cc1c(O)ccc(C[N@@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1O ZINC001140744973 1372661566 /nfs/dbraw/zinc/66/15/66/1372661566.db2.gz RKLHQENEKKMPKD-UHFFFAOYSA-N 2 2 340.383 2.197 20 10 EECDLP Cc1c(O)ccc(C[N@H+]2CCc3onc(Cn4cc[nH+]c4)c3C2)c1O ZINC001140744973 1372661569 /nfs/dbraw/zinc/66/15/69/1372661569.db2.gz RKLHQENEKKMPKD-UHFFFAOYSA-N 2 2 340.383 2.197 20 10 EECDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1(C(=O)OC)CCC1 ZINC000817939447 785087141 /nfs/dbraw/zinc/08/71/41/785087141.db2.gz BFVNOUUHFPDHDK-SJORKVTESA-N 2 2 333.476 2.464 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccn(C)c3)CC2)cc1 ZINC000122998602 463309203 /nfs/dbraw/zinc/30/92/03/463309203.db2.gz MAOMQZXEHKCTNA-UHFFFAOYSA-N 2 2 342.487 2.336 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000271889153 464401861 /nfs/dbraw/zinc/40/18/61/464401861.db2.gz VKVCUUCSXSBEHE-MSOLQXFVSA-N 2 2 347.503 2.364 20 10 EECDLP COc1ccc(N2CC[NH+](CCNc3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000742926823 577877998 /nfs/dbraw/zinc/87/79/98/577877998.db2.gz SOIOQHKZRQKMBZ-UHFFFAOYSA-N 2 2 341.459 2.336 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235996476 1305471336 /nfs/dbraw/zinc/47/13/36/1305471336.db2.gz RHDIYEGXNLFGNT-HNAYVOBHSA-N 2 2 348.443 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235996476 1305471340 /nfs/dbraw/zinc/47/13/40/1305471340.db2.gz RHDIYEGXNLFGNT-HNAYVOBHSA-N 2 2 348.443 2.037 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC4CC[NH+](CC4)C3)cc2)CC1 ZINC001254836353 1318201046 /nfs/dbraw/zinc/20/10/46/1318201046.db2.gz LEZGVXYHOOHDDO-LJQANCHMSA-N 3 2 328.504 2.012 20 10 EECDLP C[C@H]1C[N@H+](Cc2cccc(I)c2O)C[C@H]1C[NH3+] ZINC001205151641 1322298487 /nfs/dbraw/zinc/29/84/87/1322298487.db2.gz XTUFTGAYMQVYMH-GXSJLCMTSA-N 2 2 346.212 2.023 20 10 EECDLP C[C@H]1C[N@@H+](Cc2cccc(I)c2O)C[C@H]1C[NH3+] ZINC001205151641 1322298492 /nfs/dbraw/zinc/29/84/92/1322298492.db2.gz XTUFTGAYMQVYMH-GXSJLCMTSA-N 2 2 346.212 2.023 20 10 EECDLP CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324158407 1333621047 /nfs/dbraw/zinc/62/10/47/1333621047.db2.gz LNKGDDKHFGPRRY-MRXNPFEDSA-N 2 2 336.499 2.396 20 10 EECDLP CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324158407 1333621052 /nfs/dbraw/zinc/62/10/52/1333621052.db2.gz LNKGDDKHFGPRRY-MRXNPFEDSA-N 2 2 336.499 2.396 20 10 EECDLP CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324158407 1333621058 /nfs/dbraw/zinc/62/10/58/1333621058.db2.gz LNKGDDKHFGPRRY-MRXNPFEDSA-N 2 2 336.499 2.396 20 10 EECDLP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590469054 1349344824 /nfs/dbraw/zinc/34/48/24/1349344824.db2.gz XOHRDHAAIWNFIC-MRXNPFEDSA-N 2 2 344.463 2.345 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccn3C)CC2)cc1 ZINC000153306327 462636084 /nfs/dbraw/zinc/63/60/84/462636084.db2.gz REMIRNLRHLDHMG-UHFFFAOYSA-N 2 2 342.487 2.336 20 10 EECDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000089926704 462743948 /nfs/dbraw/zinc/74/39/48/462743948.db2.gz HUPSLZHDRQJZSN-UHFFFAOYSA-N 2 2 348.834 2.304 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000162793512 463538211 /nfs/dbraw/zinc/53/82/11/463538211.db2.gz UJMYQCBYRSQGDP-ZWKOTPCHSA-N 2 2 347.503 2.222 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000072725471 463540562 /nfs/dbraw/zinc/54/05/62/463540562.db2.gz GKPHABGWVCMLDD-LJQANCHMSA-N 2 2 346.519 2.175 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000072725471 463540565 /nfs/dbraw/zinc/54/05/65/463540565.db2.gz GKPHABGWVCMLDD-LJQANCHMSA-N 2 2 346.519 2.175 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000072725471 463540568 /nfs/dbraw/zinc/54/05/68/463540568.db2.gz GKPHABGWVCMLDD-LJQANCHMSA-N 2 2 346.519 2.175 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000072725471 463540573 /nfs/dbraw/zinc/54/05/73/463540573.db2.gz GKPHABGWVCMLDD-LJQANCHMSA-N 2 2 346.519 2.175 20 10 EECDLP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756398501 577843390 /nfs/dbraw/zinc/84/33/90/577843390.db2.gz JHESOOBRXWKKMY-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H](OC)C3CC3)CC2)cc1 ZINC000876899909 1199812379 /nfs/dbraw/zinc/81/23/79/1199812379.db2.gz AITNRWIRUBLSFD-HXUWFJFHSA-N 2 2 347.503 2.222 20 10 EECDLP Cc1ccc(C[N@@H+]2CCCC3(CN(CCn4cc[nH+]c4)C3)C2)c(O)c1 ZINC001276168155 1205811191 /nfs/dbraw/zinc/81/11/91/1205811191.db2.gz BMBNJYZJVPLZHL-UHFFFAOYSA-N 2 2 340.471 2.495 20 10 EECDLP Cc1ccc(C[N@H+]2CCCC3(CN(CCn4cc[nH+]c4)C3)C2)c(O)c1 ZINC001276168155 1205811193 /nfs/dbraw/zinc/81/11/93/1205811193.db2.gz BMBNJYZJVPLZHL-UHFFFAOYSA-N 2 2 340.471 2.495 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000843051107 1315830066 /nfs/dbraw/zinc/83/00/66/1315830066.db2.gz DZRGUPYCZPMBIK-SKDRFNHKSA-N 2 2 329.238 2.332 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1O ZINC000843051107 1315830070 /nfs/dbraw/zinc/83/00/70/1315830070.db2.gz DZRGUPYCZPMBIK-SKDRFNHKSA-N 2 2 329.238 2.332 20 10 EECDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cccc(C(F)(F)F)c1O)C2 ZINC001276498231 1323633080 /nfs/dbraw/zinc/63/30/80/1323633080.db2.gz SWZVBPIAQBJMOR-UHFFFAOYSA-N 2 2 343.393 2.090 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055970 1350841726 /nfs/dbraw/zinc/84/17/26/1350841726.db2.gz SBFIGMDYYRHAKS-IOASZLSFSA-N 2 2 342.447 2.240 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055970 1350841729 /nfs/dbraw/zinc/84/17/29/1350841729.db2.gz SBFIGMDYYRHAKS-IOASZLSFSA-N 2 2 342.447 2.240 20 10 EECDLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000817939707 785086724 /nfs/dbraw/zinc/08/67/24/785086724.db2.gz AWXNPKJNLBTABL-RDTXWAMCSA-N 2 2 328.460 2.377 20 10 EECDLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825108652 788440630 /nfs/dbraw/zinc/44/06/30/788440630.db2.gz XVYMLNLSOAGDEB-UHFFFAOYSA-N 2 2 331.254 2.213 20 10 EECDLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825108652 788440639 /nfs/dbraw/zinc/44/06/39/788440639.db2.gz XVYMLNLSOAGDEB-UHFFFAOYSA-N 2 2 331.254 2.213 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000162793877 463537849 /nfs/dbraw/zinc/53/78/49/463537849.db2.gz UJMYQCBYRSQGDP-MSOLQXFVSA-N 2 2 347.503 2.222 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@@H]3CCOC3)CC2)cc1 ZINC000162793636 463538284 /nfs/dbraw/zinc/53/82/84/463538284.db2.gz UJMYQCBYRSQGDP-QZTJIDSGSA-N 2 2 347.503 2.222 20 10 EECDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879659 464202252 /nfs/dbraw/zinc/20/22/52/464202252.db2.gz PVALBECMDMJKAG-MAUKXSAKSA-N 2 2 326.440 2.462 20 10 EECDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879659 464202257 /nfs/dbraw/zinc/20/22/57/464202257.db2.gz PVALBECMDMJKAG-MAUKXSAKSA-N 2 2 326.440 2.462 20 10 EECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)cc1O ZINC000285589523 464619539 /nfs/dbraw/zinc/61/95/39/464619539.db2.gz HTXKHLKHUBELFW-OHRKKDJYSA-N 2 2 349.450 2.266 20 10 EECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)cc1O ZINC000285589523 464619544 /nfs/dbraw/zinc/61/95/44/464619544.db2.gz HTXKHLKHUBELFW-OHRKKDJYSA-N 2 2 349.450 2.266 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364245 464712834 /nfs/dbraw/zinc/71/28/34/464712834.db2.gz BAMJRPZZPKJKDG-CZUORRHYSA-N 2 2 337.439 2.125 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364245 464712838 /nfs/dbraw/zinc/71/28/38/464712838.db2.gz BAMJRPZZPKJKDG-CZUORRHYSA-N 2 2 337.439 2.125 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273601771 464721519 /nfs/dbraw/zinc/72/15/19/464721519.db2.gz SBUYLJBXMFTERG-WBVHZDCISA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273601771 464721526 /nfs/dbraw/zinc/72/15/26/464721526.db2.gz SBUYLJBXMFTERG-WBVHZDCISA-N 2 2 333.476 2.294 20 10 EECDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1O ZINC000183407787 464862026 /nfs/dbraw/zinc/86/20/26/464862026.db2.gz JDSFBYWRTJDQOE-INIZCTEOSA-N 2 2 341.459 2.045 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300403809 465890164 /nfs/dbraw/zinc/89/01/64/465890164.db2.gz FASHVKNWZWXECV-UONOGXRCSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300403809 465890172 /nfs/dbraw/zinc/89/01/72/465890172.db2.gz FASHVKNWZWXECV-UONOGXRCSA-N 2 2 341.249 2.108 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)NCC[N@H+](C)C3CC3)CC2)cc1 ZINC000732886158 577196260 /nfs/dbraw/zinc/19/62/60/577196260.db2.gz CPPMJNOIMNTSCB-UHFFFAOYSA-N 2 2 346.475 2.057 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)NCC[N@@H+](C)C3CC3)CC2)cc1 ZINC000732886158 577196261 /nfs/dbraw/zinc/19/62/61/577196261.db2.gz CPPMJNOIMNTSCB-UHFFFAOYSA-N 2 2 346.475 2.057 20 10 EECDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775671130 577442345 /nfs/dbraw/zinc/44/23/45/577442345.db2.gz WJYZLSZYOLSBGQ-UHFFFAOYSA-N 3 2 330.520 2.401 20 10 EECDLP CC[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044361 577799193 /nfs/dbraw/zinc/79/91/93/577799193.db2.gz YVFFQXVMGDDUOO-PKOBYXMFSA-N 2 2 349.519 2.156 20 10 EECDLP CC[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044361 577799194 /nfs/dbraw/zinc/79/91/94/577799194.db2.gz YVFFQXVMGDDUOO-PKOBYXMFSA-N 2 2 349.519 2.156 20 10 EECDLP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756408704 577843635 /nfs/dbraw/zinc/84/36/35/577843635.db2.gz RJWQOKANIDUQCU-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000702543687 1196009244 /nfs/dbraw/zinc/00/92/44/1196009244.db2.gz DWCYBIVMCXBCOA-OAQYLSRUSA-N 2 2 338.451 2.348 20 10 EECDLP O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543687 1196009247 /nfs/dbraw/zinc/00/92/47/1196009247.db2.gz DWCYBIVMCXBCOA-OAQYLSRUSA-N 2 2 338.451 2.348 20 10 EECDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232200391 1304035219 /nfs/dbraw/zinc/03/52/19/1304035219.db2.gz VAWNEZCRJZLOTO-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232200391 1304035226 /nfs/dbraw/zinc/03/52/26/1304035226.db2.gz VAWNEZCRJZLOTO-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232200391 1304035232 /nfs/dbraw/zinc/03/52/32/1304035232.db2.gz VAWNEZCRJZLOTO-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@@H]2C1 ZINC001232200391 1304035238 /nfs/dbraw/zinc/03/52/38/1304035238.db2.gz VAWNEZCRJZLOTO-IYBDPMFKSA-N 2 2 335.879 2.170 20 10 EECDLP CCOC(=O)[C@]12C[N@H+](Cc3c(O)cccc3Cl)C[C@H]1C[NH2+]CC2 ZINC001236039267 1305482572 /nfs/dbraw/zinc/48/25/72/1305482572.db2.gz PLMYEXMUIPHKSN-SJKOYZFVSA-N 2 2 338.835 2.020 20 10 EECDLP CCOC(=O)[C@]12C[N@@H+](Cc3c(O)cccc3Cl)C[C@H]1C[NH2+]CC2 ZINC001236039267 1305482577 /nfs/dbraw/zinc/48/25/77/1305482577.db2.gz PLMYEXMUIPHKSN-SJKOYZFVSA-N 2 2 338.835 2.020 20 10 EECDLP Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001141160086 1315051348 /nfs/dbraw/zinc/05/13/48/1315051348.db2.gz PVGVNFFMMKTXQP-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001141160086 1315051353 /nfs/dbraw/zinc/05/13/53/1315051353.db2.gz PVGVNFFMMKTXQP-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001141160086 1315051358 /nfs/dbraw/zinc/05/13/58/1315051358.db2.gz PVGVNFFMMKTXQP-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(O)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001141160086 1315051359 /nfs/dbraw/zinc/05/13/59/1315051359.db2.gz PVGVNFFMMKTXQP-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP C[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C[NH3+])C1 ZINC000843121274 1315847731 /nfs/dbraw/zinc/84/77/31/1315847731.db2.gz BJAYTKXRWBEHOR-SFHVURJKSA-N 2 2 341.455 2.046 20 10 EECDLP C[N@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@@H](C[NH3+])C1 ZINC000843121274 1315847733 /nfs/dbraw/zinc/84/77/33/1315847733.db2.gz BJAYTKXRWBEHOR-SFHVURJKSA-N 2 2 341.455 2.046 20 10 EECDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843122848 1315848666 /nfs/dbraw/zinc/84/86/66/1315848666.db2.gz VOOWWYQAGMHYBR-ZDUSSCGKSA-N 2 2 343.830 2.004 20 10 EECDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843122848 1315848668 /nfs/dbraw/zinc/84/86/68/1315848668.db2.gz VOOWWYQAGMHYBR-ZDUSSCGKSA-N 2 2 343.830 2.004 20 10 EECDLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001203876826 1321980853 /nfs/dbraw/zinc/98/08/53/1321980853.db2.gz JXYBDTVIVXMZIZ-XLIONFOSSA-N 2 2 346.471 2.278 20 10 EECDLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001203876826 1321980854 /nfs/dbraw/zinc/98/08/54/1321980854.db2.gz JXYBDTVIVXMZIZ-XLIONFOSSA-N 2 2 346.471 2.278 20 10 EECDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203876826 1321980856 /nfs/dbraw/zinc/98/08/56/1321980856.db2.gz JXYBDTVIVXMZIZ-XLIONFOSSA-N 2 2 346.471 2.278 20 10 EECDLP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203876826 1321980862 /nfs/dbraw/zinc/98/08/62/1321980862.db2.gz JXYBDTVIVXMZIZ-XLIONFOSSA-N 2 2 346.471 2.278 20 10 EECDLP Cc1nnsc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324075218 1333602716 /nfs/dbraw/zinc/60/27/16/1333602716.db2.gz GCNRZLXRRASKGB-UHFFFAOYSA-N 2 2 335.452 2.027 20 10 EECDLP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465624 1349341132 /nfs/dbraw/zinc/34/11/32/1349341132.db2.gz HMTFGIZMDUFGPA-MRXNPFEDSA-N 2 2 344.463 2.487 20 10 EECDLP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590465624 1349341137 /nfs/dbraw/zinc/34/11/37/1349341137.db2.gz HMTFGIZMDUFGPA-MRXNPFEDSA-N 2 2 344.463 2.487 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C ZINC001167429267 758363693 /nfs/dbraw/zinc/36/36/93/758363693.db2.gz QNWFENLTJOGPJP-INIZCTEOSA-N 2 2 344.459 2.447 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)NC3CC[NH+](C)CC3)CC2)cc1 ZINC000069592967 463283213 /nfs/dbraw/zinc/28/32/13/463283213.db2.gz BRXAWOUJCOKECD-UHFFFAOYSA-N 2 2 346.475 2.057 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)c3cn[nH]c3)CC2)cc1 ZINC000283843070 464029479 /nfs/dbraw/zinc/02/94/79/464029479.db2.gz AYZDQQUGTKOXHE-MRXNPFEDSA-N 2 2 343.475 2.281 20 10 EECDLP CN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000378353516 467274758 /nfs/dbraw/zinc/27/47/58/467274758.db2.gz GBHIEJOSBLWWHS-QGZVFWFLSA-N 2 2 334.483 2.104 20 10 EECDLP CN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1F ZINC000378353516 467274760 /nfs/dbraw/zinc/27/47/60/467274760.db2.gz GBHIEJOSBLWWHS-QGZVFWFLSA-N 2 2 334.483 2.104 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910096 577422945 /nfs/dbraw/zinc/42/29/45/577422945.db2.gz QCJOFYUCSCRQIP-CQSZACIVSA-N 2 2 349.431 2.473 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910096 577422946 /nfs/dbraw/zinc/42/29/46/577422946.db2.gz QCJOFYUCSCRQIP-CQSZACIVSA-N 2 2 349.431 2.473 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910096 577422948 /nfs/dbraw/zinc/42/29/48/577422948.db2.gz QCJOFYUCSCRQIP-CQSZACIVSA-N 2 2 349.431 2.473 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910096 577422949 /nfs/dbraw/zinc/42/29/49/577422949.db2.gz QCJOFYUCSCRQIP-CQSZACIVSA-N 2 2 349.431 2.473 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3COCC3(C)C)CC2)cc1 ZINC000894152737 681790716 /nfs/dbraw/zinc/79/07/16/681790716.db2.gz BOIDHIRTLCXTMF-LJQANCHMSA-N 2 2 347.503 2.222 20 10 EECDLP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841045392 692884288 /nfs/dbraw/zinc/88/42/88/692884288.db2.gz KSZAFIMTVIKDQY-KRWDZBQOSA-N 2 2 329.492 2.401 20 10 EECDLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000815580686 1278145288 /nfs/dbraw/zinc/14/52/88/1278145288.db2.gz OWEGRMSPTXCVGF-MSOLQXFVSA-N 2 2 347.503 2.066 20 10 EECDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766100 1304575786 /nfs/dbraw/zinc/57/57/86/1304575786.db2.gz SQXDJDDLKRWRPS-BBRMVZONSA-N 2 2 337.439 2.159 20 10 EECDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766100 1304575792 /nfs/dbraw/zinc/57/57/92/1304575792.db2.gz SQXDJDDLKRWRPS-BBRMVZONSA-N 2 2 337.439 2.159 20 10 EECDLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000843053301 1315830817 /nfs/dbraw/zinc/83/08/17/1315830817.db2.gz UQDPVJNKRIAQLH-SNVBAGLBSA-N 2 2 329.238 2.205 20 10 EECDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000843053301 1315830818 /nfs/dbraw/zinc/83/08/18/1315830818.db2.gz UQDPVJNKRIAQLH-SNVBAGLBSA-N 2 2 329.238 2.205 20 10 EECDLP CC(=O)NCC1CCC([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC001575007203 1343718793 /nfs/dbraw/zinc/71/87/93/1343718793.db2.gz XUZOYPHIBYFMIL-GXOAENINSA-N 2 2 332.492 2.037 20 10 EECDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1O ZINC000817981991 785131535 /nfs/dbraw/zinc/13/15/35/785131535.db2.gz OZAXVBZZXYEHLG-ZJUUUORDSA-N 2 2 347.228 2.323 20 10 EECDLP COc1c(O)c(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000290637548 464127083 /nfs/dbraw/zinc/12/70/83/464127083.db2.gz YIUCGIWGQZNBAJ-UHFFFAOYSA-N 2 2 334.376 2.336 20 10 EECDLP COc1c(O)c(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000290637548 464127087 /nfs/dbraw/zinc/12/70/87/464127087.db2.gz YIUCGIWGQZNBAJ-UHFFFAOYSA-N 2 2 334.376 2.336 20 10 EECDLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1n1cc[nH+]c1 ZINC000768463630 577556424 /nfs/dbraw/zinc/55/64/24/577556424.db2.gz KRWCBFHRWJEYED-PVUWLOKVSA-N 2 2 329.400 2.098 20 10 EECDLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@@H]1n1cc[nH+]c1 ZINC000768463630 577556425 /nfs/dbraw/zinc/55/64/25/577556425.db2.gz KRWCBFHRWJEYED-PVUWLOKVSA-N 2 2 329.400 2.098 20 10 EECDLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756413167 577843666 /nfs/dbraw/zinc/84/36/66/577843666.db2.gz YAWOGTXNVBVFFZ-QWHCGFSZSA-N 2 2 327.419 2.347 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cc1C ZINC000989493974 691986140 /nfs/dbraw/zinc/98/61/40/691986140.db2.gz XZRFMXNNQPWPEN-WMLDXEAASA-N 2 2 342.443 2.048 20 10 EECDLP CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1C ZINC001235198582 1305146464 /nfs/dbraw/zinc/14/64/64/1305146464.db2.gz QPSITRUJHXNQDX-HUUCEWRRSA-N 2 2 341.455 2.396 20 10 EECDLP CCOC(=O)c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1C ZINC001235198582 1305146470 /nfs/dbraw/zinc/14/64/70/1305146470.db2.gz QPSITRUJHXNQDX-HUUCEWRRSA-N 2 2 341.455 2.396 20 10 EECDLP Cc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C)n1-c1ccccc1 ZINC001235991206 1305469738 /nfs/dbraw/zinc/46/97/38/1305469738.db2.gz DRVPJSAZFJPLCI-UFRUDQCGSA-N 2 2 325.456 2.500 20 10 EECDLP Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C)n1-c1ccccc1 ZINC001235991206 1305469744 /nfs/dbraw/zinc/46/97/44/1305469744.db2.gz DRVPJSAZFJPLCI-UFRUDQCGSA-N 2 2 325.456 2.500 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c(F)c2)CC1 ZINC001237413072 1305924791 /nfs/dbraw/zinc/92/47/91/1305924791.db2.gz IWZRAAIIVGUHPL-PXNSSMCTSA-N 3 2 346.494 2.151 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c(F)c2)CC1 ZINC001237413072 1305924792 /nfs/dbraw/zinc/92/47/92/1305924792.db2.gz IWZRAAIIVGUHPL-PXNSSMCTSA-N 3 2 346.494 2.151 20 10 EECDLP C[NH+](C)CCCN1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237949943 1306156119 /nfs/dbraw/zinc/15/61/19/1306156119.db2.gz PCQVXNBSQXLHKQ-UHFFFAOYSA-N 2 2 329.847 2.254 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(O)c1O ZINC001204349827 1322122200 /nfs/dbraw/zinc/12/22/00/1322122200.db2.gz BYTBRFWJFYHEGH-AWEZNQCLSA-N 2 2 330.384 2.463 20 10 EECDLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc(O)c1O ZINC001204349827 1322122212 /nfs/dbraw/zinc/12/22/12/1322122212.db2.gz BYTBRFWJFYHEGH-AWEZNQCLSA-N 2 2 330.384 2.463 20 10 EECDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053902 1350841374 /nfs/dbraw/zinc/84/13/74/1350841374.db2.gz FWMUYBZNISHYIW-XJKSGUPXSA-N 2 2 344.463 2.345 20 10 EECDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053902 1350841379 /nfs/dbraw/zinc/84/13/79/1350841379.db2.gz FWMUYBZNISHYIW-XJKSGUPXSA-N 2 2 344.463 2.345 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)cc(F)c1O ZINC000894095093 780528145 /nfs/dbraw/zinc/52/81/45/780528145.db2.gz PQSAIZKFPQESAZ-VNQPRFMTSA-N 2 2 326.387 2.354 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)cc(F)c1O ZINC000894095093 780528151 /nfs/dbraw/zinc/52/81/51/780528151.db2.gz PQSAIZKFPQESAZ-VNQPRFMTSA-N 2 2 326.387 2.354 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@H](C)O[C@H]3C)CC2)cc1 ZINC000823602624 787828090 /nfs/dbraw/zinc/82/80/90/787828090.db2.gz PLLQYBFKSQZQIB-ABSDTBQOSA-N 2 2 347.503 2.363 20 10 EECDLP CC(=O)c1cc(F)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1O ZINC000151174312 788691577 /nfs/dbraw/zinc/69/15/77/788691577.db2.gz OYFNRDRKBFOGKK-UHFFFAOYSA-N 2 2 329.375 2.451 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)c3cn[nH]c3)CC2)cc1 ZINC000283843062 464029081 /nfs/dbraw/zinc/02/90/81/464029081.db2.gz AYZDQQUGTKOXHE-INIZCTEOSA-N 2 2 343.475 2.281 20 10 EECDLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Br)ccc1O ZINC000273417189 464714760 /nfs/dbraw/zinc/71/47/60/464714760.db2.gz RCYXXUNLQYPZAI-YPMHNXCESA-N 2 2 343.265 2.262 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)cc1C ZINC001018949734 1228566083 /nfs/dbraw/zinc/56/60/83/1228566083.db2.gz LVSYPGUFTXUHDV-KRWDZBQOSA-N 2 2 342.443 2.050 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)cc1C ZINC001018949734 1228566089 /nfs/dbraw/zinc/56/60/89/1228566089.db2.gz LVSYPGUFTXUHDV-KRWDZBQOSA-N 2 2 342.443 2.050 20 10 EECDLP CC[NH+]1CCN(c2ccc(O[C@H]3C[NH2+]CC(F)(F)C3)cc2)CC1 ZINC001218277675 1297619876 /nfs/dbraw/zinc/61/98/76/1297619876.db2.gz IMGJMYMYPVFSPF-MRXNPFEDSA-N 2 2 325.403 2.205 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2F)CC1 ZINC001116288868 1305871882 /nfs/dbraw/zinc/87/18/82/1305871882.db2.gz NGZXHFDVGWMMSD-KRWDZBQOSA-N 2 2 343.450 2.468 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2F)CC1 ZINC001116288868 1305871884 /nfs/dbraw/zinc/87/18/84/1305871884.db2.gz NGZXHFDVGWMMSD-KRWDZBQOSA-N 2 2 343.450 2.468 20 10 EECDLP CC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241852 1306325624 /nfs/dbraw/zinc/32/56/24/1306325624.db2.gz PKUPYOYIFLDPRD-FUHWJXTLSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241852 1306325631 /nfs/dbraw/zinc/32/56/31/1306325631.db2.gz PKUPYOYIFLDPRD-FUHWJXTLSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241852 1306325637 /nfs/dbraw/zinc/32/56/37/1306325637.db2.gz PKUPYOYIFLDPRD-FUHWJXTLSA-N 2 2 334.483 2.137 20 10 EECDLP CC[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@H]1[NH3+] ZINC001118241852 1306325645 /nfs/dbraw/zinc/32/56/45/1306325645.db2.gz PKUPYOYIFLDPRD-FUHWJXTLSA-N 2 2 334.483 2.137 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC001327838028 1334353123 /nfs/dbraw/zinc/35/31/23/1334353123.db2.gz COWPVCFIZSXEHP-MRXNPFEDSA-N 2 2 326.435 2.072 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055972 1350842237 /nfs/dbraw/zinc/84/22/37/1350842237.db2.gz SBFIGMDYYRHAKS-WWGRRREGSA-N 2 2 342.447 2.240 20 10 EECDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055972 1350842238 /nfs/dbraw/zinc/84/22/38/1350842238.db2.gz SBFIGMDYYRHAKS-WWGRRREGSA-N 2 2 342.447 2.240 20 10 EECDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815036630 1367798462 /nfs/dbraw/zinc/79/84/62/1367798462.db2.gz AFUSTHYUBCTHLU-UHFFFAOYSA-N 2 2 346.519 2.047 20 10 EECDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4c(O)cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281298 /nfs/dbraw/zinc/28/12/98/1372281298.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4c(O)cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281302 /nfs/dbraw/zinc/28/13/02/1372281302.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4c(O)cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281304 /nfs/dbraw/zinc/28/13/04/1372281304.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4c(O)cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281309 /nfs/dbraw/zinc/28/13/09/1372281309.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 2 344.434 2.219 20 10 EECDLP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001035086485 783696739 /nfs/dbraw/zinc/69/67/39/783696739.db2.gz RKVVTPRKIZECRI-MRXNPFEDSA-N 2 2 342.443 2.050 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000817894152 785049903 /nfs/dbraw/zinc/04/99/03/785049903.db2.gz KFGNMWBQGOSLQR-RDTXWAMCSA-N 2 2 335.467 2.407 20 10 EECDLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C)cc1O ZINC000366459116 465740941 /nfs/dbraw/zinc/74/09/41/465740941.db2.gz WKERLSNCXCOPGH-IEBWSBKVSA-N 2 2 347.503 2.148 20 10 EECDLP Cc1ccc(O)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000113320615 534195539 /nfs/dbraw/zinc/19/55/39/534195539.db2.gz QQUDEGSKBZAOHN-LJQANCHMSA-N 2 2 326.440 2.209 20 10 EECDLP Cc1ccc(O)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000113320615 534195548 /nfs/dbraw/zinc/19/55/48/534195548.db2.gz QQUDEGSKBZAOHN-LJQANCHMSA-N 2 2 326.440 2.209 20 10 EECDLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754168863 577801597 /nfs/dbraw/zinc/80/15/97/577801597.db2.gz LOVHQEYVNGKWBG-YQVWRLOYSA-N 2 2 349.519 2.202 20 10 EECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1 ZINC001275311614 1205305524 /nfs/dbraw/zinc/30/55/24/1205305524.db2.gz GJFMZBHWQGRHQB-ROUUACIJSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1 ZINC001275311614 1205305527 /nfs/dbraw/zinc/30/55/27/1205305527.db2.gz GJFMZBHWQGRHQB-ROUUACIJSA-N 2 2 326.444 2.246 20 10 EECDLP COC(=O)[C@H]1C[C@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779955 1305384302 /nfs/dbraw/zinc/38/43/02/1305384302.db2.gz YWYDZWWBOBJTIS-HOTGVXAUSA-N 2 2 341.455 2.228 20 10 EECDLP COC(=O)[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779955 1305384318 /nfs/dbraw/zinc/38/43/18/1305384318.db2.gz YWYDZWWBOBJTIS-HOTGVXAUSA-N 2 2 341.455 2.228 20 10 EECDLP COc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1O ZINC001203590501 1321918277 /nfs/dbraw/zinc/91/82/77/1321918277.db2.gz ZWBVIJMMPJGKLH-QZTJIDSGSA-N 2 2 339.439 2.360 20 10 EECDLP CCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1O ZINC000848909752 1338804805 /nfs/dbraw/zinc/80/48/05/1338804805.db2.gz ATFHEARCWVKEMH-AYHJJNSGSA-N 2 2 345.487 2.128 20 10 EECDLP CCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1O ZINC000848909752 1338804807 /nfs/dbraw/zinc/80/48/07/1338804807.db2.gz ATFHEARCWVKEMH-AYHJJNSGSA-N 2 2 345.487 2.128 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000192454546 237313945 /nfs/dbraw/zinc/31/39/45/237313945.db2.gz CQIUVQXJQPVATE-YLJYHZDGSA-N 2 2 347.503 2.222 20 10 EECDLP COCC[C@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000162832150 463542049 /nfs/dbraw/zinc/54/20/49/463542049.db2.gz PEGMWMUHNLUEPB-KRWDZBQOSA-N 2 2 335.492 2.222 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194539211 463879709 /nfs/dbraw/zinc/87/97/09/463879709.db2.gz FLWJQUYDDOLTAJ-TXEJJXNPSA-N 2 2 341.249 2.157 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194539211 463879716 /nfs/dbraw/zinc/87/97/16/463879716.db2.gz FLWJQUYDDOLTAJ-TXEJJXNPSA-N 2 2 341.249 2.157 20 10 EECDLP COc1cc(Br)cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC000194539211 463879722 /nfs/dbraw/zinc/87/97/22/463879722.db2.gz FLWJQUYDDOLTAJ-TXEJJXNPSA-N 2 2 341.249 2.157 20 10 EECDLP COc1cc(Br)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000194539211 463879725 /nfs/dbraw/zinc/87/97/25/463879725.db2.gz FLWJQUYDDOLTAJ-TXEJJXNPSA-N 2 2 341.249 2.157 20 10 EECDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787947 577707671 /nfs/dbraw/zinc/70/76/71/577707671.db2.gz OUJOGOJNTDNGBU-LKFCYVNXSA-N 2 2 347.228 2.011 20 10 EECDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787947 577707672 /nfs/dbraw/zinc/70/76/72/577707672.db2.gz OUJOGOJNTDNGBU-LKFCYVNXSA-N 2 2 347.228 2.011 20 10 EECDLP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882980093 1201990130 /nfs/dbraw/zinc/99/01/30/1201990130.db2.gz YOKMQJQBDGMTBW-CYBMUJFWSA-N 2 2 327.419 2.034 20 10 EECDLP CN(C)c1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c(Cl)c1 ZINC001276155630 1205804470 /nfs/dbraw/zinc/80/44/70/1205804470.db2.gz ILMLVRSHCXXGJR-UHFFFAOYSA-N 2 2 336.911 2.228 20 10 EECDLP CC[C@H]1COC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000924579632 1205998900 /nfs/dbraw/zinc/99/89/00/1205998900.db2.gz MEAJKXUOEJBQDY-FXAWDEMLSA-N 2 2 347.503 2.222 20 10 EECDLP CC[C@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000924579634 1205998953 /nfs/dbraw/zinc/99/89/53/1205998953.db2.gz MEAJKXUOEJBQDY-PXNSSMCTSA-N 2 2 347.503 2.222 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243892 1299434533 /nfs/dbraw/zinc/43/45/33/1299434533.db2.gz QOBAJFVILCIHHK-FQEVSTJZSA-N 3 2 328.504 2.156 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243892 1299434544 /nfs/dbraw/zinc/43/45/44/1299434544.db2.gz QOBAJFVILCIHHK-FQEVSTJZSA-N 3 2 328.504 2.156 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232841603 1304268204 /nfs/dbraw/zinc/26/82/04/1304268204.db2.gz LFZPGTUTKFPVOV-UHFFFAOYSA-N 2 2 342.443 2.184 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000841044577 1315461981 /nfs/dbraw/zinc/46/19/81/1315461981.db2.gz DJAQYFFKDPMLHE-MRXNPFEDSA-N 2 2 344.425 2.369 20 10 EECDLP COc1cccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000841045582 1315462252 /nfs/dbraw/zinc/46/22/52/1315462252.db2.gz NDKXINDJPYPKAX-KBXCAEBGSA-N 2 2 328.460 2.377 20 10 EECDLP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000843356444 1315899652 /nfs/dbraw/zinc/89/96/52/1315899652.db2.gz PTDJSXJEMVYETL-CQSZACIVSA-N 2 2 346.431 2.150 20 10 EECDLP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000843356444 1315899656 /nfs/dbraw/zinc/89/96/56/1315899656.db2.gz PTDJSXJEMVYETL-CQSZACIVSA-N 2 2 346.431 2.150 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)cc2F)CC1 ZINC001326484235 1334102478 /nfs/dbraw/zinc/10/24/78/1334102478.db2.gz NTLAMXSUMJKJHF-OKILXGFUSA-N 2 2 325.378 2.274 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)C4(F)F)cc2F)CC1 ZINC001326484235 1334102481 /nfs/dbraw/zinc/10/24/81/1334102481.db2.gz NTLAMXSUMJKJHF-OKILXGFUSA-N 2 2 325.378 2.274 20 10 EECDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)C1 ZINC001589963545 1349082838 /nfs/dbraw/zinc/08/28/38/1349082838.db2.gz LAZWDSKBKNBVPR-KBPBESRZSA-N 2 2 344.463 2.343 20 10 EECDLP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1O)CN1CC[NH+](C)CC1 ZINC000187698818 464151550 /nfs/dbraw/zinc/15/15/50/464151550.db2.gz DYHPMRKHWTWCIG-OLZOCXBDSA-N 2 2 327.419 2.205 20 10 EECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(F)cc1O ZINC000285589531 464619517 /nfs/dbraw/zinc/61/95/17/464619517.db2.gz HTXKHLKHUBELFW-WWTUQBGBSA-N 2 2 349.450 2.266 20 10 EECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(F)cc1O ZINC000285589531 464619519 /nfs/dbraw/zinc/61/95/19/464619519.db2.gz HTXKHLKHUBELFW-WWTUQBGBSA-N 2 2 349.450 2.266 20 10 EECDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000184728679 465022602 /nfs/dbraw/zinc/02/26/02/465022602.db2.gz DOXMHXVUCAFMEZ-CYBMUJFWSA-N 2 2 329.400 2.309 20 10 EECDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000184728679 465022605 /nfs/dbraw/zinc/02/26/05/465022605.db2.gz DOXMHXVUCAFMEZ-CYBMUJFWSA-N 2 2 329.400 2.309 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC2)cc1 ZINC000726709191 576290683 /nfs/dbraw/zinc/29/06/83/576290683.db2.gz PIRBKGJLDYYSJR-OAHLLOKOSA-N 2 2 348.491 2.303 20 10 EECDLP COc1cccc(O)c1C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000768885681 577565002 /nfs/dbraw/zinc/56/50/02/577565002.db2.gz HXULYVPILKVTEK-UHFFFAOYSA-N 2 2 335.473 2.400 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000754062435 577799456 /nfs/dbraw/zinc/79/94/56/577799456.db2.gz SRJRDFLPXGJJCO-LNLFQRSKSA-N 2 2 347.503 2.051 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cc1C ZINC000989493970 691986208 /nfs/dbraw/zinc/98/62/08/691986208.db2.gz XZRFMXNNQPWPEN-PBHICJAKSA-N 2 2 342.443 2.048 20 10 EECDLP CC(C)C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000876506938 1199650148 /nfs/dbraw/zinc/65/01/48/1199650148.db2.gz RGEKCSQLQFCADI-MSOLQXFVSA-N 2 2 343.475 2.353 20 10 EECDLP Cc1cccc(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1O ZINC001276080905 1205764289 /nfs/dbraw/zinc/76/42/89/1205764289.db2.gz XXKIJGLSJCWODD-FUHWJXTLSA-N 2 2 326.444 2.103 20 10 EECDLP Cc1cccc(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1O ZINC001276080905 1205764291 /nfs/dbraw/zinc/76/42/91/1205764291.db2.gz XXKIJGLSJCWODD-FUHWJXTLSA-N 2 2 326.444 2.103 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1c[nH+]ccc1N ZINC000925762066 1206151760 /nfs/dbraw/zinc/15/17/60/1206151760.db2.gz GEFBLVGLVHCQMT-HNNXBMFYSA-N 3 2 325.460 2.097 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cnccc1N ZINC000925762066 1206151761 /nfs/dbraw/zinc/15/17/61/1206151761.db2.gz GEFBLVGLVHCQMT-HNNXBMFYSA-N 2 2 325.460 2.097 20 10 EECDLP CN(C)c1cc(F)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000858194291 1294041372 /nfs/dbraw/zinc/04/13/72/1294041372.db2.gz CVBNQEPUZNLEJM-HNNXBMFYSA-N 2 2 339.430 2.374 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235996471 1305471351 /nfs/dbraw/zinc/47/13/51/1305471351.db2.gz RHDIYEGXNLFGNT-BEFAXECRSA-N 2 2 348.443 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235996471 1305471358 /nfs/dbraw/zinc/47/13/58/1305471358.db2.gz RHDIYEGXNLFGNT-BEFAXECRSA-N 2 2 348.443 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235996477 1305471724 /nfs/dbraw/zinc/47/17/24/1305471724.db2.gz RHDIYEGXNLFGNT-KXBFYZLASA-N 2 2 348.443 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235996477 1305471733 /nfs/dbraw/zinc/47/17/33/1305471733.db2.gz RHDIYEGXNLFGNT-KXBFYZLASA-N 2 2 348.443 2.037 20 10 EECDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319798819 1332770276 /nfs/dbraw/zinc/77/02/76/1332770276.db2.gz MXYGHHYCGQZKSG-UHFFFAOYSA-N 3 2 348.510 2.494 20 10 EECDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319798819 1332770278 /nfs/dbraw/zinc/77/02/78/1332770278.db2.gz MXYGHHYCGQZKSG-UHFFFAOYSA-N 3 2 348.510 2.494 20 10 EECDLP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]2C1 ZINC001140667059 1372630333 /nfs/dbraw/zinc/63/03/33/1372630333.db2.gz HFXPQOXTVRAANW-IAGOWNOFSA-N 2 2 333.451 2.046 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1F ZINC000818984861 785350169 /nfs/dbraw/zinc/35/01/69/785350169.db2.gz INEOKMRTKRBOAC-SFHVURJKSA-N 2 2 345.462 2.474 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1F ZINC000818984861 785350180 /nfs/dbraw/zinc/35/01/80/785350180.db2.gz INEOKMRTKRBOAC-SFHVURJKSA-N 2 2 345.462 2.474 20 10 EECDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965016 463828513 /nfs/dbraw/zinc/82/85/13/463828513.db2.gz YGGJFVIXNCLVBH-ZWKOTPCHSA-N 2 2 332.492 2.133 20 10 EECDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965016 463828516 /nfs/dbraw/zinc/82/85/16/463828516.db2.gz YGGJFVIXNCLVBH-ZWKOTPCHSA-N 2 2 332.492 2.133 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000774875634 577421497 /nfs/dbraw/zinc/42/14/97/577421497.db2.gz LUCKCWDLMOHXAM-CYBMUJFWSA-N 2 2 332.360 2.343 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910095 577422888 /nfs/dbraw/zinc/42/28/88/577422888.db2.gz QCJOFYUCSCRQIP-AWEZNQCLSA-N 2 2 349.431 2.473 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910095 577422889 /nfs/dbraw/zinc/42/28/89/577422889.db2.gz QCJOFYUCSCRQIP-AWEZNQCLSA-N 2 2 349.431 2.473 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910095 577422890 /nfs/dbraw/zinc/42/28/90/577422890.db2.gz QCJOFYUCSCRQIP-AWEZNQCLSA-N 2 2 349.431 2.473 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000774910095 577422891 /nfs/dbraw/zinc/42/28/91/577422891.db2.gz QCJOFYUCSCRQIP-AWEZNQCLSA-N 2 2 349.431 2.473 20 10 EECDLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1O ZINC000756561738 577846821 /nfs/dbraw/zinc/84/68/21/577846821.db2.gz HPYILPKMGORGGB-CYBMUJFWSA-N 2 2 337.439 2.125 20 10 EECDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178395 1199327898 /nfs/dbraw/zinc/32/78/98/1199327898.db2.gz OFABEWCPBVMAGE-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178395 1199327902 /nfs/dbraw/zinc/32/79/02/1199327902.db2.gz OFABEWCPBVMAGE-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178395 1199327907 /nfs/dbraw/zinc/32/79/07/1199327907.db2.gz OFABEWCPBVMAGE-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178395 1199327910 /nfs/dbraw/zinc/32/79/10/1199327910.db2.gz OFABEWCPBVMAGE-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)cc(F)c3O)cn2)CC1 ZINC000882886516 1201968538 /nfs/dbraw/zinc/96/85/38/1201968538.db2.gz XZUPRCHZYIXQCR-UHFFFAOYSA-N 2 2 348.397 2.107 20 10 EECDLP Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1 ZINC001275311626 1205305652 /nfs/dbraw/zinc/30/56/52/1205305652.db2.gz GYBYQNZKDCTNBT-HDICACEKSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1 ZINC001275311626 1205305653 /nfs/dbraw/zinc/30/56/53/1205305653.db2.gz GYBYQNZKDCTNBT-HDICACEKSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1ccc(O)c(C[N@@H+]2CCCC3(CN(CCn4cc[nH+]c4)C3)C2)c1 ZINC001275311927 1205305960 /nfs/dbraw/zinc/30/59/60/1205305960.db2.gz UYBIZRCPDPGGLK-UHFFFAOYSA-N 2 2 340.471 2.495 20 10 EECDLP Cc1ccc(O)c(C[N@H+]2CCCC3(CN(CCn4cc[nH+]c4)C3)C2)c1 ZINC001275311927 1205305964 /nfs/dbraw/zinc/30/59/64/1205305964.db2.gz UYBIZRCPDPGGLK-UHFFFAOYSA-N 2 2 340.471 2.495 20 10 EECDLP Oc1cccc(F)c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276354230 1213898350 /nfs/dbraw/zinc/89/83/50/1213898350.db2.gz NDCOOWDHDMWLQV-UHFFFAOYSA-N 2 2 330.407 2.352 20 10 EECDLP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000799736391 1305397528 /nfs/dbraw/zinc/39/75/28/1305397528.db2.gz PZGMMIGMMCJUGW-UHFFFAOYSA-N 2 2 329.847 2.300 20 10 EECDLP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1(C)C ZINC000799736391 1305397542 /nfs/dbraw/zinc/39/75/42/1305397542.db2.gz PZGMMIGMMCJUGW-UHFFFAOYSA-N 2 2 329.847 2.300 20 10 EECDLP CC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235948297 1305453692 /nfs/dbraw/zinc/45/36/92/1305453692.db2.gz LLTCYEIMKQJRBF-UHFFFAOYSA-N 2 2 333.476 2.260 20 10 EECDLP CC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235948297 1305453700 /nfs/dbraw/zinc/45/37/00/1305453700.db2.gz LLTCYEIMKQJRBF-UHFFFAOYSA-N 2 2 333.476 2.260 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238858 1305541563 /nfs/dbraw/zinc/54/15/63/1305541563.db2.gz HMJHIVGKORAOQB-FQEVSTJZSA-N 3 2 328.504 2.155 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238858 1305541566 /nfs/dbraw/zinc/54/15/66/1305541566.db2.gz HMJHIVGKORAOQB-FQEVSTJZSA-N 3 2 328.504 2.155 20 10 EECDLP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001203621367 1321924478 /nfs/dbraw/zinc/92/44/78/1321924478.db2.gz BWDFBNDUDKLLAF-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001203621367 1321924480 /nfs/dbraw/zinc/92/44/80/1321924480.db2.gz BWDFBNDUDKLLAF-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001203621367 1321924481 /nfs/dbraw/zinc/92/44/81/1321924481.db2.gz BWDFBNDUDKLLAF-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001203621367 1321924483 /nfs/dbraw/zinc/92/44/83/1321924483.db2.gz BWDFBNDUDKLLAF-HDICACEKSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c(O)c1 ZINC001203623583 1321925515 /nfs/dbraw/zinc/92/55/15/1321925515.db2.gz ULOIDBDWYJPLNQ-IAGOWNOFSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817903367 785056831 /nfs/dbraw/zinc/05/68/31/785056831.db2.gz OLBXCACUGCFGQZ-VQTJNVASSA-N 2 2 345.487 2.021 20 10 EECDLP CC[C@@H]([NH2+]CC[NH2+]CCOC)c1cc(Br)ccc1O ZINC000817965360 785119493 /nfs/dbraw/zinc/11/94/93/785119493.db2.gz STKSTHQPWAIGJM-CYBMUJFWSA-N 2 2 331.254 2.431 20 10 EECDLP CC[C@H]([NH2+]CC[NH2+]CCOC)c1cc(Br)ccc1O ZINC000817965363 785119837 /nfs/dbraw/zinc/11/98/37/785119837.db2.gz STKSTHQPWAIGJM-ZDUSSCGKSA-N 2 2 331.254 2.431 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1O ZINC000155560165 462909249 /nfs/dbraw/zinc/90/92/49/462909249.db2.gz FDKVKUWCHFKAJG-IAGOWNOFSA-N 2 2 333.476 2.376 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1O ZINC000155560165 462909253 /nfs/dbraw/zinc/90/92/53/462909253.db2.gz FDKVKUWCHFKAJG-IAGOWNOFSA-N 2 2 333.476 2.376 20 10 EECDLP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(F)c1O ZINC000187702138 464152621 /nfs/dbraw/zinc/15/26/21/464152621.db2.gz NGDZQVPIVGKOBN-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(F)c1O ZINC000187702138 464152625 /nfs/dbraw/zinc/15/26/25/464152625.db2.gz NGDZQVPIVGKOBN-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP COC(=O)C[N@@H+](CCn1cc[nH+]c1C)Cc1cc(Cl)ccc1O ZINC000270817379 464268715 /nfs/dbraw/zinc/26/87/15/464268715.db2.gz ALSOKEYOJJULQY-UHFFFAOYSA-N 2 2 337.807 2.226 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360955 464711793 /nfs/dbraw/zinc/71/17/93/464711793.db2.gz AGLQDWKCABIICZ-KBXCAEBGSA-N 2 2 345.487 2.261 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360955 464711799 /nfs/dbraw/zinc/71/17/99/464711799.db2.gz AGLQDWKCABIICZ-KBXCAEBGSA-N 2 2 345.487 2.261 20 10 EECDLP C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000756535548 577846030 /nfs/dbraw/zinc/84/60/30/577846030.db2.gz QZMJCZFVMCXZGI-OLZOCXBDSA-N 2 2 327.419 2.205 20 10 EECDLP CN(C)c1ccc(C[N@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)c(Cl)c1 ZINC001276155423 1205802745 /nfs/dbraw/zinc/80/27/45/1205802745.db2.gz HFIMOBJOIPJZFK-CALCHBBNSA-N 2 2 336.911 2.226 20 10 EECDLP CN(C)c1ccc(C[N@@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)c(Cl)c1 ZINC001276155423 1205802747 /nfs/dbraw/zinc/80/27/47/1205802747.db2.gz HFIMOBJOIPJZFK-CALCHBBNSA-N 2 2 336.911 2.226 20 10 EECDLP COC(=O)c1c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001232405770 1304110235 /nfs/dbraw/zinc/11/02/35/1304110235.db2.gz QDVGWNHNJPQEKT-HXUWFJFHSA-N 2 2 341.455 2.493 20 10 EECDLP COC(=O)c1c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001232405770 1304110243 /nfs/dbraw/zinc/11/02/43/1304110243.db2.gz QDVGWNHNJPQEKT-HXUWFJFHSA-N 2 2 341.455 2.493 20 10 EECDLP COC(=O)c1c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001232405770 1304110250 /nfs/dbraw/zinc/11/02/50/1304110250.db2.gz QDVGWNHNJPQEKT-HXUWFJFHSA-N 2 2 341.455 2.493 20 10 EECDLP COC(=O)c1c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001232405770 1304110257 /nfs/dbraw/zinc/11/02/57/1304110257.db2.gz QDVGWNHNJPQEKT-HXUWFJFHSA-N 2 2 341.455 2.493 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406992 1305922430 /nfs/dbraw/zinc/92/24/30/1305922430.db2.gz WMFZCFYOSSWMRV-APWZRJJASA-N 2 2 333.451 2.236 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237406992 1305922436 /nfs/dbraw/zinc/92/24/36/1305922436.db2.gz WMFZCFYOSSWMRV-APWZRJJASA-N 2 2 333.451 2.236 20 10 EECDLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@H](n2cncn2)C1 ZINC001327839628 1334353246 /nfs/dbraw/zinc/35/32/46/1334353246.db2.gz JOVQQEAAKUXBLH-DQEVTTJGSA-N 2 2 342.491 2.363 20 10 EECDLP C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)Cn1cc[nH+]c1 ZINC000066990677 778266897 /nfs/dbraw/zinc/26/68/97/778266897.db2.gz QVLXRRIUWJDRJC-OAHLLOKOSA-N 2 2 332.423 2.285 20 10 EECDLP CCOc1cccc(C[NH+]2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1O ZINC000093663017 237048696 /nfs/dbraw/zinc/04/86/96/237048696.db2.gz OZQMYOBXWDQFSD-CYBMUJFWSA-N 2 2 335.473 2.400 20 10 EECDLP C[NH+](C)CCN1CCC(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113336112 237165860 /nfs/dbraw/zinc/16/58/60/237165860.db2.gz XPIKEYAHBJOKFY-UHFFFAOYSA-N 2 2 325.884 2.409 20 10 EECDLP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268888001 463796182 /nfs/dbraw/zinc/79/61/82/463796182.db2.gz IZBZVDVSDJQQGU-QAPCUYQASA-N 2 2 332.492 2.133 20 10 EECDLP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000268888001 463796186 /nfs/dbraw/zinc/79/61/86/463796186.db2.gz IZBZVDVSDJQQGU-QAPCUYQASA-N 2 2 332.492 2.133 20 10 EECDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000359958890 465511267 /nfs/dbraw/zinc/51/12/67/465511267.db2.gz LGKJJYNUQUQYFW-ZWKOTPCHSA-N 2 2 347.503 2.066 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000732283380 577165926 /nfs/dbraw/zinc/16/59/26/577165926.db2.gz XKCCDARITBHITH-SFHVURJKSA-N 2 2 331.460 2.265 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000732283380 577165928 /nfs/dbraw/zinc/16/59/28/577165928.db2.gz XKCCDARITBHITH-SFHVURJKSA-N 2 2 331.460 2.265 20 10 EECDLP C[NH+]1CCN(C2C[NH+](Cc3cccc(-c4ccccc4)c3O)C2)CC1 ZINC001234999318 1305079572 /nfs/dbraw/zinc/07/95/72/1305079572.db2.gz SDYZPISIDXHPFA-UHFFFAOYSA-N 2 2 337.467 2.491 20 10 EECDLP C[NH+](C)CCN1CCC12C[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276838339 1299858164 /nfs/dbraw/zinc/85/81/64/1299858164.db2.gz SITAPEWGCHRNEL-UHFFFAOYSA-N 2 2 343.393 2.233 20 10 EECDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1O ZINC001233418631 1304461644 /nfs/dbraw/zinc/46/16/44/1304461644.db2.gz PCRVAQYRKYTALI-UHFFFAOYSA-N 2 2 331.382 2.090 20 10 EECDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1O ZINC001233418631 1304461651 /nfs/dbraw/zinc/46/16/51/1304461651.db2.gz PCRVAQYRKYTALI-UHFFFAOYSA-N 2 2 331.382 2.090 20 10 EECDLP COCCC[N@H+](Cc1ccc2c(c1)OCCN2C)[C@H]1CCC[NH2+]C1 ZINC001235806986 1305399541 /nfs/dbraw/zinc/39/95/41/1305399541.db2.gz RCJPLJLPDJDOKI-KRWDZBQOSA-N 2 2 333.476 2.106 20 10 EECDLP COCCC[N@@H+](Cc1ccc2c(c1)OCCN2C)[C@H]1CCC[NH2+]C1 ZINC001235806986 1305399553 /nfs/dbraw/zinc/39/95/53/1305399553.db2.gz RCJPLJLPDJDOKI-KRWDZBQOSA-N 2 2 333.476 2.106 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC34CCC4)c(F)c2)CC1 ZINC001236934178 1305735920 /nfs/dbraw/zinc/73/59/20/1305735920.db2.gz DQDBMFMHMIHBCV-UHFFFAOYSA-N 2 2 333.451 2.332 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC34CCC4)c(F)c2)CC1 ZINC001236934178 1305735928 /nfs/dbraw/zinc/73/59/28/1305735928.db2.gz DQDBMFMHMIHBCV-UHFFFAOYSA-N 2 2 333.451 2.332 20 10 EECDLP [NH3+][C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC12COC2 ZINC001237179210 1305823166 /nfs/dbraw/zinc/82/31/66/1305823166.db2.gz HSEWUFZYXNVMRE-SFHVURJKSA-N 2 2 328.387 2.358 20 10 EECDLP [NH3+][C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC12COC2 ZINC001237179210 1305823182 /nfs/dbraw/zinc/82/31/82/1305823182.db2.gz HSEWUFZYXNVMRE-SFHVURJKSA-N 2 2 328.387 2.358 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393031 1305916594 /nfs/dbraw/zinc/91/65/94/1305916594.db2.gz QIRVVQWUABQFSP-RDJZCZTQSA-N 3 2 333.476 2.036 20 10 EECDLP COc1cc(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393031 1305916598 /nfs/dbraw/zinc/91/65/98/1305916598.db2.gz QIRVVQWUABQFSP-RDJZCZTQSA-N 3 2 333.476 2.036 20 10 EECDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1O ZINC001237800229 1306098788 /nfs/dbraw/zinc/09/87/88/1306098788.db2.gz MQOFHQGWVFKXPF-JKSUJKDBSA-N 2 2 341.858 2.395 20 10 EECDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)cc(Cl)c1O ZINC001237800229 1306098804 /nfs/dbraw/zinc/09/88/04/1306098804.db2.gz MQOFHQGWVFKXPF-JKSUJKDBSA-N 2 2 341.858 2.395 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001139132608 1314708953 /nfs/dbraw/zinc/70/89/53/1314708953.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 2 328.412 2.335 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001139132608 1314708956 /nfs/dbraw/zinc/70/89/56/1314708956.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 2 328.412 2.335 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001139132608 1314708961 /nfs/dbraw/zinc/70/89/61/1314708961.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 2 328.412 2.335 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001139132608 1314708962 /nfs/dbraw/zinc/70/89/62/1314708962.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 2 328.412 2.335 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCCC4)C3)cc2)CC1 ZINC001140304107 1314862725 /nfs/dbraw/zinc/86/27/25/1314862725.db2.gz IJRLFNVJCVGXKI-OAQYLSRUSA-N 2 2 342.531 2.499 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCCC4)C3)cc2)CC1 ZINC001140304107 1314862732 /nfs/dbraw/zinc/86/27/32/1314862732.db2.gz IJRLFNVJCVGXKI-OAQYLSRUSA-N 2 2 342.531 2.499 20 10 EECDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843122847 1315848321 /nfs/dbraw/zinc/84/83/21/1315848321.db2.gz VOOWWYQAGMHYBR-CYBMUJFWSA-N 2 2 343.830 2.004 20 10 EECDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000843122847 1315848330 /nfs/dbraw/zinc/84/83/30/1315848330.db2.gz VOOWWYQAGMHYBR-CYBMUJFWSA-N 2 2 343.830 2.004 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205725475 1323269868 /nfs/dbraw/zinc/26/98/68/1323269868.db2.gz IEVDMLIBGRCVKR-OAHLLOKOSA-N 2 2 343.265 2.139 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205725475 1323269876 /nfs/dbraw/zinc/26/98/76/1323269876.db2.gz IEVDMLIBGRCVKR-OAHLLOKOSA-N 2 2 343.265 2.139 20 10 EECDLP COCCOc1ccc(N2CC[NH+](CC(C)(C)C[NH+](C)C)CC2)cc1 ZINC001207288445 1323927058 /nfs/dbraw/zinc/92/70/58/1323927058.db2.gz OPWANOXIUXULDB-UHFFFAOYSA-N 2 2 349.519 2.422 20 10 EECDLP C[N@@H+]1CCC2(C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)C1 ZINC001276576522 1324636183 /nfs/dbraw/zinc/63/61/83/1324636183.db2.gz GOHZPQKKVRUZRQ-UHFFFAOYSA-N 2 2 327.472 2.229 20 10 EECDLP C[N@H+]1CCC2(C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C2)C1 ZINC001276576522 1324636188 /nfs/dbraw/zinc/63/61/88/1324636188.db2.gz GOHZPQKKVRUZRQ-UHFFFAOYSA-N 2 2 327.472 2.229 20 10 EECDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717151 1332749275 /nfs/dbraw/zinc/74/92/75/1332749275.db2.gz LSQCDJHCQHVXPQ-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717151 1332749277 /nfs/dbraw/zinc/74/92/77/1332749277.db2.gz LSQCDJHCQHVXPQ-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717151 1332749282 /nfs/dbraw/zinc/74/92/82/1332749282.db2.gz LSQCDJHCQHVXPQ-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717151 1332749285 /nfs/dbraw/zinc/74/92/85/1332749285.db2.gz LSQCDJHCQHVXPQ-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852281 1334726989 /nfs/dbraw/zinc/72/69/89/1334726989.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 3 2 348.510 2.350 20 10 EECDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852281 1334726992 /nfs/dbraw/zinc/72/69/92/1334726992.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 3 2 348.510 2.350 20 10 EECDLP Oc1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)[C@H](O)CO2 ZINC000768440579 577555576 /nfs/dbraw/zinc/55/55/76/577555576.db2.gz QSEAREVKIMIDFU-GOSISDBHSA-N 2 2 332.444 2.268 20 10 EECDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000883049156 1202003047 /nfs/dbraw/zinc/00/30/47/1202003047.db2.gz FZVPBVHPQPKIJH-JKSUJKDBSA-N 2 2 326.387 2.138 20 10 EECDLP CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c(O)c1 ZINC001276804818 1298013962 /nfs/dbraw/zinc/01/39/62/1298013962.db2.gz LAEUWLVFRFXSKB-KDURUIRLSA-N 2 2 340.471 2.500 20 10 EECDLP CCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c(O)c1 ZINC001276804818 1298013971 /nfs/dbraw/zinc/01/39/71/1298013971.db2.gz LAEUWLVFRFXSKB-KDURUIRLSA-N 2 2 340.471 2.500 20 10 EECDLP CC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008046 1305474417 /nfs/dbraw/zinc/47/44/17/1305474417.db2.gz PUSPNHBJEXIKBI-FQEVSTJZSA-N 3 2 330.520 2.402 20 10 EECDLP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008046 1305474429 /nfs/dbraw/zinc/47/44/29/1305474429.db2.gz PUSPNHBJEXIKBI-FQEVSTJZSA-N 3 2 330.520 2.402 20 10 EECDLP CCc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)c(O)c1 ZINC001236786476 1305676275 /nfs/dbraw/zinc/67/62/75/1305676275.db2.gz PFQQZRXSUKDOPW-UHFFFAOYSA-N 2 2 345.487 2.131 20 10 EECDLP CCc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC(=O)NC)CC2)c(O)c1 ZINC001236786476 1305676277 /nfs/dbraw/zinc/67/62/77/1305676277.db2.gz PFQQZRXSUKDOPW-UHFFFAOYSA-N 2 2 345.487 2.131 20 10 EECDLP COc1ccc(N2CC[NH+](CCCNc3[nH+]cccc3N)CC2)cc1 ZINC001156256869 1317939968 /nfs/dbraw/zinc/93/99/68/1317939968.db2.gz LFJZZGFBJDFKKC-UHFFFAOYSA-N 2 2 341.459 2.297 20 10 EECDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627443 1321926732 /nfs/dbraw/zinc/92/67/32/1321926732.db2.gz DVVLLQLAYKPQSK-KRWDZBQOSA-N 2 2 334.460 2.476 20 10 EECDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627443 1321926734 /nfs/dbraw/zinc/92/67/34/1321926734.db2.gz DVVLLQLAYKPQSK-KRWDZBQOSA-N 2 2 334.460 2.476 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001167429269 758363799 /nfs/dbraw/zinc/36/37/99/758363799.db2.gz QNWFENLTJOGPJP-MRXNPFEDSA-N 2 2 344.459 2.447 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001135799723 784464617 /nfs/dbraw/zinc/46/46/17/784464617.db2.gz XEYVXHRTKJBUJE-HUUCEWRRSA-N 2 2 344.459 2.342 20 10 EECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1O ZINC000817984531 785133081 /nfs/dbraw/zinc/13/30/81/785133081.db2.gz ZOHLNWDAZWCCHU-JQWIXIFHSA-N 2 2 329.238 2.102 20 10 EECDLP COc1ccc(Br)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206189953 797234816 /nfs/dbraw/zinc/23/48/16/797234816.db2.gz YSEBYAYMMFQFHZ-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(Br)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206189953 797234818 /nfs/dbraw/zinc/23/48/18/797234818.db2.gz YSEBYAYMMFQFHZ-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278936362 464007953 /nfs/dbraw/zinc/00/79/53/464007953.db2.gz JQHSWPXZVYBZAT-QWHCGFSZSA-N 2 2 329.400 2.289 20 10 EECDLP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1O ZINC000187746766 464158396 /nfs/dbraw/zinc/15/83/96/464158396.db2.gz MAJHHERDEBZHLN-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000271788536 464384163 /nfs/dbraw/zinc/38/41/63/464384163.db2.gz IJWMJPGTJMKQKH-UHFFFAOYSA-N 2 2 333.476 2.260 20 10 EECDLP COC(=O)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000768525244 577557797 /nfs/dbraw/zinc/55/77/97/577557797.db2.gz VATCCIHRKBFRBN-QGZVFWFLSA-N 2 2 333.476 2.116 20 10 EECDLP CCn1cnc2c1CC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000897333220 687132060 /nfs/dbraw/zinc/13/20/60/687132060.db2.gz CZUPBQVQAOKMGW-UHFFFAOYSA-N 2 2 339.487 2.213 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)cc1C ZINC000987267226 689555604 /nfs/dbraw/zinc/55/56/04/689555604.db2.gz MONBBVLERWRDGE-ZBFHGGJFSA-N 2 2 342.443 2.048 20 10 EECDLP COC(=O)c1c(C[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001232401099 1304107368 /nfs/dbraw/zinc/10/73/68/1304107368.db2.gz FZGATNGJIWUSCA-UHFFFAOYSA-N 2 2 329.444 2.491 20 10 EECDLP COC(=O)c1c(C[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1C ZINC001232401099 1304107369 /nfs/dbraw/zinc/10/73/69/1304107369.db2.gz FZGATNGJIWUSCA-UHFFFAOYSA-N 2 2 329.444 2.491 20 10 EECDLP CCOc1ccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(O)c1 ZINC001237041779 1305774380 /nfs/dbraw/zinc/77/43/80/1305774380.db2.gz ULICCZBRXOUASO-UHFFFAOYSA-N 2 2 333.432 2.421 20 10 EECDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(N2CCOCC2)cc1F ZINC001140664800 1314925364 /nfs/dbraw/zinc/92/53/64/1314925364.db2.gz SIVCLPYYPSFAFV-UHFFFAOYSA-N 2 2 332.423 2.381 20 10 EECDLP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000841045585 1315462293 /nfs/dbraw/zinc/46/22/93/1315462293.db2.gz NDKXINDJPYPKAX-RDTXWAMCSA-N 2 2 328.460 2.377 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)cc2)CC1 ZINC001206352296 1323467029 /nfs/dbraw/zinc/46/70/29/1323467029.db2.gz SWCAHFRZFWGIEQ-FQEVSTJZSA-N 3 2 348.510 2.481 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)cc2)CC1 ZINC001206352296 1323467032 /nfs/dbraw/zinc/46/70/32/1323467032.db2.gz SWCAHFRZFWGIEQ-FQEVSTJZSA-N 3 2 348.510 2.481 20 10 EECDLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589978790 1349091081 /nfs/dbraw/zinc/09/10/81/1349091081.db2.gz QHGZYVDDKNXGGH-ZDUSSCGKSA-N 2 2 344.463 2.345 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001752905142 1406532455 /nfs/dbraw/zinc/53/24/55/1406532455.db2.gz OKCDCPQNSFYLCU-CABCVRRESA-N 2 2 344.459 2.200 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001752905142 1406532462 /nfs/dbraw/zinc/53/24/62/1406532462.db2.gz OKCDCPQNSFYLCU-CABCVRRESA-N 2 2 344.459 2.200 20 10 EECDLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817889663 785024389 /nfs/dbraw/zinc/02/43/89/785024389.db2.gz UQQQZUZDNSXLPD-DOTOQJQBSA-N 2 2 335.517 2.096 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000160404262 463335863 /nfs/dbraw/zinc/33/58/63/463335863.db2.gz AKLCTPDTQWHWPL-OAHLLOKOSA-N 2 2 330.384 2.458 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OC ZINC000160404262 463335868 /nfs/dbraw/zinc/33/58/68/463335868.db2.gz AKLCTPDTQWHWPL-OAHLLOKOSA-N 2 2 330.384 2.458 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120397 /nfs/dbraw/zinc/12/03/97/464120397.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120399 /nfs/dbraw/zinc/12/03/99/464120399.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120404 /nfs/dbraw/zinc/12/04/04/464120404.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120410 /nfs/dbraw/zinc/12/04/10/464120410.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 2 2 335.404 2.225 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621835 464723417 /nfs/dbraw/zinc/72/34/17/464723417.db2.gz ZIPHKSNLRNKUHZ-FZMZJTMJSA-N 2 2 325.840 2.036 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621835 464723418 /nfs/dbraw/zinc/72/34/18/464723418.db2.gz ZIPHKSNLRNKUHZ-FZMZJTMJSA-N 2 2 325.840 2.036 20 10 EECDLP COc1c(O)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1[N+](=O)[O-] ZINC000367436621 466337586 /nfs/dbraw/zinc/33/75/86/466337586.db2.gz GOTZCLSTQHEFDM-UHFFFAOYSA-N 2 2 332.360 2.132 20 10 EECDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000769999715 577588645 /nfs/dbraw/zinc/58/86/45/577588645.db2.gz BPNKJMBHCKDSOP-CHWSQXEVSA-N 2 2 327.419 2.347 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)[C@H](C)C(C)C)CC2)cc1 ZINC000754001094 577798295 /nfs/dbraw/zinc/79/82/95/577798295.db2.gz XYGZAOLBXWNVHU-IEBWSBKVSA-N 2 2 349.519 2.154 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)[C@H](C)C(C)C)CC2)cc1 ZINC000754001094 577798296 /nfs/dbraw/zinc/79/82/96/577798296.db2.gz XYGZAOLBXWNVHU-IEBWSBKVSA-N 2 2 349.519 2.154 20 10 EECDLP CCCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000873141874 1198511922 /nfs/dbraw/zinc/51/19/22/1198511922.db2.gz MAORFWKBASSRJC-KRWDZBQOSA-N 2 2 333.476 2.213 20 10 EECDLP CCCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1C ZINC000873141874 1198511924 /nfs/dbraw/zinc/51/19/24/1198511924.db2.gz MAORFWKBASSRJC-KRWDZBQOSA-N 2 2 333.476 2.213 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC001140309383 1314865112 /nfs/dbraw/zinc/86/51/12/1314865112.db2.gz DNYCGTHSPDYIIP-UHFFFAOYSA-N 3 2 342.531 2.499 20 10 EECDLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001203623581 1321925666 /nfs/dbraw/zinc/92/56/66/1321925666.db2.gz ULOIDBDWYJPLNQ-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001203623581 1321925668 /nfs/dbraw/zinc/92/56/68/1321925668.db2.gz ULOIDBDWYJPLNQ-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001203623581 1321925672 /nfs/dbraw/zinc/92/56/72/1321925672.db2.gz ULOIDBDWYJPLNQ-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001203623581 1321925675 /nfs/dbraw/zinc/92/56/75/1321925675.db2.gz ULOIDBDWYJPLNQ-CALCHBBNSA-N 2 2 339.439 2.360 20 10 EECDLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@H]2C1 ZINC001139130018 1372463670 /nfs/dbraw/zinc/46/36/70/1372463670.db2.gz NREDZHGESLMADI-ZIAGYGMSSA-N 2 2 328.412 2.191 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001752905144 1406533002 /nfs/dbraw/zinc/53/30/02/1406533002.db2.gz OKCDCPQNSFYLCU-GJZGRUSLSA-N 2 2 344.459 2.200 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001752905144 1406533006 /nfs/dbraw/zinc/53/30/06/1406533006.db2.gz OKCDCPQNSFYLCU-GJZGRUSLSA-N 2 2 344.459 2.200 20 10 EECDLP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535459 784104189 /nfs/dbraw/zinc/10/41/89/784104189.db2.gz PCNQOIPJEDHRSO-GFCCVEGCSA-N 2 2 329.847 2.300 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2)CC1 ZINC001206173741 797056853 /nfs/dbraw/zinc/05/68/53/797056853.db2.gz JVQGEQNUPHDGNA-MOPGFXCFSA-N 3 2 334.483 2.090 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)cc2)CC1 ZINC001206173741 797056860 /nfs/dbraw/zinc/05/68/60/797056860.db2.gz JVQGEQNUPHDGNA-MOPGFXCFSA-N 3 2 334.483 2.090 20 10 EECDLP CC[NH+]1CCC([NH+]2CCN(c3ccc(OCCOC)cc3)CC2)CC1 ZINC001169261878 803659436 /nfs/dbraw/zinc/65/94/36/803659436.db2.gz PVRITPSKPONEEG-UHFFFAOYSA-N 2 2 347.503 2.318 20 10 EECDLP Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000295904053 465000778 /nfs/dbraw/zinc/00/07/78/465000778.db2.gz IUVVLVXANIXWOV-RTBURBONSA-N 2 2 338.451 2.388 20 10 EECDLP Oc1cccc2c1[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CC2 ZINC000295904053 465000780 /nfs/dbraw/zinc/00/07/80/465000780.db2.gz IUVVLVXANIXWOV-RTBURBONSA-N 2 2 338.451 2.388 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000753609743 577790635 /nfs/dbraw/zinc/79/06/35/577790635.db2.gz GZEDLHJJEZHHRN-PXNSSMCTSA-N 2 2 347.503 2.364 20 10 EECDLP Cc1cccc(C[N@@H+]2CCCC3(CN(CCn4cc[nH+]c4)C3)C2)c1O ZINC001276079642 1205763208 /nfs/dbraw/zinc/76/32/08/1205763208.db2.gz CFWSCMOGINJQTK-UHFFFAOYSA-N 2 2 340.471 2.495 20 10 EECDLP Cc1cccc(C[N@H+]2CCCC3(CN(CCn4cc[nH+]c4)C3)C2)c1O ZINC001276079642 1205763209 /nfs/dbraw/zinc/76/32/09/1205763209.db2.gz CFWSCMOGINJQTK-UHFFFAOYSA-N 2 2 340.471 2.495 20 10 EECDLP c1cc(N2CCCCC2)ccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497429 1299634346 /nfs/dbraw/zinc/63/43/46/1299634346.db2.gz JLIWHGKOVJTBKX-PMACEKPBSA-N 2 2 328.504 2.203 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235996472 1305471035 /nfs/dbraw/zinc/47/10/35/1305471035.db2.gz RHDIYEGXNLFGNT-DNVCBOLYSA-N 2 2 348.443 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235996472 1305471045 /nfs/dbraw/zinc/47/10/45/1305471045.db2.gz RHDIYEGXNLFGNT-DNVCBOLYSA-N 2 2 348.443 2.037 20 10 EECDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001118808967 1308944786 /nfs/dbraw/zinc/94/47/86/1308944786.db2.gz ZRJHAIXKHWNWJF-ILXRZTDVSA-N 2 2 331.460 2.178 20 10 EECDLP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001118808967 1308944791 /nfs/dbraw/zinc/94/47/91/1308944791.db2.gz ZRJHAIXKHWNWJF-ILXRZTDVSA-N 2 2 331.460 2.178 20 10 EECDLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000841100468 1315475527 /nfs/dbraw/zinc/47/55/27/1315475527.db2.gz ZCLKPQVUSRJMHI-NSHDSACASA-N 2 2 339.802 2.072 20 10 EECDLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000841100468 1315475528 /nfs/dbraw/zinc/47/55/28/1315475528.db2.gz ZCLKPQVUSRJMHI-NSHDSACASA-N 2 2 339.802 2.072 20 10 EECDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203678667 1321939164 /nfs/dbraw/zinc/93/91/64/1321939164.db2.gz QUEXHXMKXLYEEN-KRWDZBQOSA-N 2 2 334.460 2.476 20 10 EECDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203678667 1321939166 /nfs/dbraw/zinc/93/91/66/1321939166.db2.gz QUEXHXMKXLYEEN-KRWDZBQOSA-N 2 2 334.460 2.476 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[NH3+])C3CCCC3)cc2F)CC1 ZINC001325321776 1333863264 /nfs/dbraw/zinc/86/32/64/1333863264.db2.gz ZOEQHKBTIQFVJG-SFHVURJKSA-N 3 2 334.483 2.185 20 10 EECDLP CC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056017 1350841545 /nfs/dbraw/zinc/84/15/45/1350841545.db2.gz QGZDQARGVSEFEX-INIZCTEOSA-N 2 2 344.463 2.345 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCC[NH2+]1 ZINC000817894150 785049602 /nfs/dbraw/zinc/04/96/02/785049602.db2.gz KFGNMWBQGOSLQR-KDOFPFPSSA-N 2 2 335.467 2.407 20 10 EECDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590249 464720934 /nfs/dbraw/zinc/72/09/34/464720934.db2.gz OWZNSCVOVBRDKP-AAEUAGOBSA-N 2 2 342.281 2.051 20 10 EECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cc(Br)ccc1O ZINC000273590249 464720938 /nfs/dbraw/zinc/72/09/38/464720938.db2.gz OWZNSCVOVBRDKP-AAEUAGOBSA-N 2 2 342.281 2.051 20 10 EECDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000770677039 577601463 /nfs/dbraw/zinc/60/14/63/577601463.db2.gz UMZTYPFPGZSZTP-GFCCVEGCSA-N 2 2 329.847 2.300 20 10 EECDLP CCC[C@@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010189 577798532 /nfs/dbraw/zinc/79/85/32/577798532.db2.gz NMEPSAVPDVJBEP-MJGOQNOKSA-N 2 2 349.519 2.299 20 10 EECDLP CCC[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010189 577798533 /nfs/dbraw/zinc/79/85/33/577798533.db2.gz NMEPSAVPDVJBEP-MJGOQNOKSA-N 2 2 349.519 2.299 20 10 EECDLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754168861 577801646 /nfs/dbraw/zinc/80/16/46/577801646.db2.gz LOVHQEYVNGKWBG-SCTDSRPQSA-N 2 2 349.519 2.202 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cn1cccn1 ZINC000873109071 1198501520 /nfs/dbraw/zinc/50/15/20/1198501520.db2.gz CYKHLLJLYYFLGB-QGZVFWFLSA-N 2 2 337.427 2.241 20 10 EECDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000877519447 1199954477 /nfs/dbraw/zinc/95/44/77/1199954477.db2.gz IXYKFFIZWPYYCD-UHFFFAOYSA-N 2 2 336.476 2.260 20 10 EECDLP COc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(Br)c1 ZINC001237069533 1305786230 /nfs/dbraw/zinc/78/62/30/1305786230.db2.gz GVMLBAIUOQZUAI-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP COc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(Br)c1 ZINC001237069533 1305786237 /nfs/dbraw/zinc/78/62/37/1305786237.db2.gz GVMLBAIUOQZUAI-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP COc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(Br)c1 ZINC001237069533 1305786244 /nfs/dbraw/zinc/78/62/44/1305786244.db2.gz GVMLBAIUOQZUAI-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP COc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(Br)c1 ZINC001237069533 1305786251 /nfs/dbraw/zinc/78/62/51/1305786251.db2.gz GVMLBAIUOQZUAI-PHIMTYICSA-N 2 2 341.249 2.157 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c(F)c2)CC1 ZINC001237413074 1305925223 /nfs/dbraw/zinc/92/52/23/1305925223.db2.gz IWZRAAIIVGUHPL-XLIONFOSSA-N 3 2 346.494 2.151 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c(F)c2)CC1 ZINC001237413074 1305925230 /nfs/dbraw/zinc/92/52/30/1305925230.db2.gz IWZRAAIIVGUHPL-XLIONFOSSA-N 3 2 346.494 2.151 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000841040427 1315460455 /nfs/dbraw/zinc/46/04/55/1315460455.db2.gz MBSLKSHYPYBGEM-QGZVFWFLSA-N 2 2 327.428 2.313 20 10 EECDLP Cc1nn(C)c2ncc(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)cc12 ZINC000841042002 1315461204 /nfs/dbraw/zinc/46/12/04/1315461204.db2.gz GPFKOEQCQCTGGE-SFHVURJKSA-N 2 2 338.459 2.132 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)cc2F)CC1 ZINC001324747357 1333751345 /nfs/dbraw/zinc/75/13/45/1333751345.db2.gz VRVNEMRDLRQDJM-IBGZPJMESA-N 2 2 333.451 2.188 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C3CC3)cc2F)CC1 ZINC001324747357 1333751348 /nfs/dbraw/zinc/75/13/48/1333751348.db2.gz VRVNEMRDLRQDJM-IBGZPJMESA-N 2 2 333.451 2.188 20 10 EECDLP CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000076074334 462801620 /nfs/dbraw/zinc/80/16/20/462801620.db2.gz SYXHRAANXINREA-INIZCTEOSA-N 2 2 333.476 2.157 20 10 EECDLP CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000076074334 462801622 /nfs/dbraw/zinc/80/16/22/462801622.db2.gz SYXHRAANXINREA-INIZCTEOSA-N 2 2 333.476 2.157 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000271889166 464401756 /nfs/dbraw/zinc/40/17/56/464401756.db2.gz VKVCUUCSXSBEHE-ZWKOTPCHSA-N 2 2 347.503 2.364 20 10 EECDLP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1O ZINC000756574621 577847125 /nfs/dbraw/zinc/84/71/25/577847125.db2.gz DIMRDPBEMODYLV-TZMCWYRMSA-N 2 2 339.430 2.490 20 10 EECDLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169003 1205811354 /nfs/dbraw/zinc/81/13/54/1205811354.db2.gz MKOMEARNWYJPBY-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169003 1205811355 /nfs/dbraw/zinc/81/13/55/1205811355.db2.gz MKOMEARNWYJPBY-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169003 1205811357 /nfs/dbraw/zinc/81/13/57/1205811357.db2.gz MKOMEARNWYJPBY-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169003 1205811358 /nfs/dbraw/zinc/81/13/58/1205811358.db2.gz MKOMEARNWYJPBY-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP CN(C)c1cc(F)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000858194292 1294041230 /nfs/dbraw/zinc/04/12/30/1294041230.db2.gz CVBNQEPUZNLEJM-OAHLLOKOSA-N 2 2 339.430 2.374 20 10 EECDLP Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233483655 1304477200 /nfs/dbraw/zinc/47/72/00/1304477200.db2.gz HETULRHEIYNSKQ-OKILXGFUSA-N 2 2 346.452 2.429 20 10 EECDLP Oc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233483655 1304477203 /nfs/dbraw/zinc/47/72/03/1304477203.db2.gz HETULRHEIYNSKQ-OKILXGFUSA-N 2 2 346.452 2.429 20 10 EECDLP Oc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233483655 1304477208 /nfs/dbraw/zinc/47/72/08/1304477208.db2.gz HETULRHEIYNSKQ-OKILXGFUSA-N 2 2 346.452 2.429 20 10 EECDLP Oc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1O ZINC001233483655 1304477211 /nfs/dbraw/zinc/47/72/11/1304477211.db2.gz HETULRHEIYNSKQ-OKILXGFUSA-N 2 2 346.452 2.429 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235174704 1305137579 /nfs/dbraw/zinc/13/75/79/1305137579.db2.gz VCIASGXSIATGKB-HNAYVOBHSA-N 2 2 348.443 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235174704 1305137581 /nfs/dbraw/zinc/13/75/81/1305137581.db2.gz VCIASGXSIATGKB-HNAYVOBHSA-N 2 2 348.443 2.037 20 10 EECDLP COCCOc1ccc(N2CC[NH+](CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236157424 1305516202 /nfs/dbraw/zinc/51/62/02/1305516202.db2.gz HLTKLJVCNDFEKZ-GOSISDBHSA-N 2 2 347.503 2.366 20 10 EECDLP CC(C)([NH3+])c1noc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000843356443 1315899637 /nfs/dbraw/zinc/89/96/37/1315899637.db2.gz PTDJSXJEMVYETL-AWEZNQCLSA-N 2 2 346.431 2.150 20 10 EECDLP CC(C)([NH3+])c1noc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000843356443 1315899641 /nfs/dbraw/zinc/89/96/41/1315899641.db2.gz PTDJSXJEMVYETL-AWEZNQCLSA-N 2 2 346.431 2.150 20 10 EECDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723868 1332583196 /nfs/dbraw/zinc/58/31/96/1332583196.db2.gz FKAUPDXRZVGROR-NVXWUHKLSA-N 3 2 334.483 2.150 20 10 EECDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723868 1332583198 /nfs/dbraw/zinc/58/31/98/1332583198.db2.gz FKAUPDXRZVGROR-NVXWUHKLSA-N 3 2 334.483 2.150 20 10 EECDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817889665 785023918 /nfs/dbraw/zinc/02/39/18/785023918.db2.gz UQQQZUZDNSXLPD-RDJZCZTQSA-N 2 2 335.517 2.096 20 10 EECDLP C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000821065549 786583018 /nfs/dbraw/zinc/58/30/18/786583018.db2.gz OVXKXHDQSHIPOJ-DOMZBBRYSA-N 2 2 339.867 2.076 20 10 EECDLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000821065549 786583024 /nfs/dbraw/zinc/58/30/24/786583024.db2.gz OVXKXHDQSHIPOJ-DOMZBBRYSA-N 2 2 339.867 2.076 20 10 EECDLP COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+]3CCCO)CC2)cc1 ZINC000824565498 788218173 /nfs/dbraw/zinc/21/81/73/788218173.db2.gz XCWIBJIPUIYIRD-LJQANCHMSA-N 2 2 347.503 2.100 20 10 EECDLP COc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3CCCO)CC2)cc1 ZINC000824565498 788218179 /nfs/dbraw/zinc/21/81/79/788218179.db2.gz XCWIBJIPUIYIRD-LJQANCHMSA-N 2 2 347.503 2.100 20 10 EECDLP C[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000021505564 463036949 /nfs/dbraw/zinc/03/69/49/463036949.db2.gz HUYFVCKXCIQDOG-UHFFFAOYSA-N 2 2 332.275 2.426 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000222072707 464126569 /nfs/dbraw/zinc/12/65/69/464126569.db2.gz FASHVKNWZWXECV-KGLIPLIRSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000222072707 464126574 /nfs/dbraw/zinc/12/65/74/464126574.db2.gz FASHVKNWZWXECV-KGLIPLIRSA-N 2 2 341.249 2.108 20 10 EECDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879672 464202804 /nfs/dbraw/zinc/20/28/04/464202804.db2.gz PVALBECMDMJKAG-CRAIPNDOSA-N 2 2 326.440 2.462 20 10 EECDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O ZINC000179879672 464202808 /nfs/dbraw/zinc/20/28/08/464202808.db2.gz PVALBECMDMJKAG-CRAIPNDOSA-N 2 2 326.440 2.462 20 10 EECDLP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)cc(F)c1O ZINC000756394299 577843267 /nfs/dbraw/zinc/84/32/67/577843267.db2.gz CMBLRIQDUOXQBK-LBPRGKRZSA-N 2 2 327.419 2.347 20 10 EECDLP c1nc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c[nH]1 ZINC000894359008 682628191 /nfs/dbraw/zinc/62/81/91/682628191.db2.gz LWAVZWVPVMQQMN-UHFFFAOYSA-N 2 2 325.460 2.232 20 10 EECDLP O[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CC[N@H+](Cc2ccccc2)C1 ZINC000702543686 1196009278 /nfs/dbraw/zinc/00/92/78/1196009278.db2.gz DWCYBIVMCXBCOA-NRFANRHFSA-N 2 2 338.451 2.348 20 10 EECDLP O[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CC[N@@H+](Cc2ccccc2)C1 ZINC000702543686 1196009281 /nfs/dbraw/zinc/00/92/81/1196009281.db2.gz DWCYBIVMCXBCOA-NRFANRHFSA-N 2 2 338.451 2.348 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000883290775 1202041115 /nfs/dbraw/zinc/04/11/15/1202041115.db2.gz GRDAUWMIJQNMQR-UHFFFAOYSA-N 3 2 328.504 2.155 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2F)CC1 ZINC001116288869 1305870813 /nfs/dbraw/zinc/87/08/13/1305870813.db2.gz NGZXHFDVGWMMSD-QGZVFWFLSA-N 2 2 343.450 2.468 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2F)CC1 ZINC001116288869 1305870820 /nfs/dbraw/zinc/87/08/20/1305870820.db2.gz NGZXHFDVGWMMSD-QGZVFWFLSA-N 2 2 343.450 2.468 20 10 EECDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001237937823 1306155139 /nfs/dbraw/zinc/15/51/39/1306155139.db2.gz QYGZDPVUZURMKO-JKSUJKDBSA-N 2 2 341.858 2.395 20 10 EECDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001237937823 1306155152 /nfs/dbraw/zinc/15/51/52/1306155152.db2.gz QYGZDPVUZURMKO-JKSUJKDBSA-N 2 2 341.858 2.395 20 10 EECDLP COc1cc(C[N@@H+]2CCc3ncccc3C2)cc(C[NH+](C)C)c1O ZINC001139256628 1314722233 /nfs/dbraw/zinc/72/22/33/1314722233.db2.gz FPIYLRUCXNXQMZ-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP COc1cc(C[N@H+]2CCc3ncccc3C2)cc(C[NH+](C)C)c1O ZINC001139256628 1314722236 /nfs/dbraw/zinc/72/22/36/1314722236.db2.gz FPIYLRUCXNXQMZ-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817889667 785023774 /nfs/dbraw/zinc/02/37/74/785023774.db2.gz UQQQZUZDNSXLPD-WBVHZDCISA-N 2 2 335.517 2.096 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000155300671 462872600 /nfs/dbraw/zinc/87/26/00/462872600.db2.gz CRMNODJEGLYONZ-QFBILLFUSA-N 2 2 346.519 2.346 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000155300671 462872604 /nfs/dbraw/zinc/87/26/04/462872604.db2.gz CRMNODJEGLYONZ-QFBILLFUSA-N 2 2 346.519 2.346 20 10 EECDLP CCOC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000162828001 694327422 /nfs/dbraw/zinc/32/74/22/694327422.db2.gz NKWRUROVIDPOCC-QGZVFWFLSA-N 2 2 335.492 2.222 20 10 EECDLP CC(=O)c1cc(Cl)cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1O ZINC000931485657 1207394545 /nfs/dbraw/zinc/39/45/45/1207394545.db2.gz PBBHYJUZEZRXJP-UHFFFAOYSA-N 2 2 340.851 2.137 20 10 EECDLP OC1CCN(c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235118436 1305118638 /nfs/dbraw/zinc/11/86/38/1305118638.db2.gz FSJCZYXICAAWPZ-FQEVSTJZSA-N 2 2 329.488 2.366 20 10 EECDLP OC1CCN(c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235118436 1305118641 /nfs/dbraw/zinc/11/86/41/1305118641.db2.gz FSJCZYXICAAWPZ-FQEVSTJZSA-N 2 2 329.488 2.366 20 10 EECDLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945749 1305742855 /nfs/dbraw/zinc/74/28/55/1305742855.db2.gz MCFHHSBTNZYDGT-UHFFFAOYSA-N 3 2 336.499 2.351 20 10 EECDLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945749 1305742859 /nfs/dbraw/zinc/74/28/59/1305742859.db2.gz MCFHHSBTNZYDGT-UHFFFAOYSA-N 3 2 336.499 2.351 20 10 EECDLP Cc1cc(F)cc(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1O ZINC001238071065 1306209369 /nfs/dbraw/zinc/20/93/69/1306209369.db2.gz RKLJMNTWWXTZNU-UHFFFAOYSA-N 2 2 349.450 2.001 20 10 EECDLP COC(=O)[C@H](C(C)C)[N@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258996 1314722686 /nfs/dbraw/zinc/72/26/86/1314722686.db2.gz DHSUVTMKBRDRAT-INIZCTEOSA-N 2 2 338.448 2.092 20 10 EECDLP COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258996 1314722689 /nfs/dbraw/zinc/72/26/89/1314722689.db2.gz DHSUVTMKBRDRAT-INIZCTEOSA-N 2 2 338.448 2.092 20 10 EECDLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139410722 1314740927 /nfs/dbraw/zinc/74/09/27/1314740927.db2.gz AQPCLYFYJYXWSW-UHFFFAOYSA-N 3 2 342.531 2.497 20 10 EECDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139410722 1314740929 /nfs/dbraw/zinc/74/09/29/1314740929.db2.gz AQPCLYFYJYXWSW-UHFFFAOYSA-N 3 2 342.531 2.497 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(O)c1O ZINC001204349828 1322123512 /nfs/dbraw/zinc/12/35/12/1322123512.db2.gz BYTBRFWJFYHEGH-CQSZACIVSA-N 2 2 330.384 2.463 20 10 EECDLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc(O)c1O ZINC001204349828 1322123518 /nfs/dbraw/zinc/12/35/18/1322123518.db2.gz BYTBRFWJFYHEGH-CQSZACIVSA-N 2 2 330.384 2.463 20 10 EECDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001345944568 1337476647 /nfs/dbraw/zinc/47/66/47/1337476647.db2.gz RTMTZCGHNUZDTE-KRWDZBQOSA-N 3 2 334.483 2.009 20 10 EECDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001345944568 1337476650 /nfs/dbraw/zinc/47/66/50/1337476650.db2.gz RTMTZCGHNUZDTE-KRWDZBQOSA-N 3 2 334.483 2.009 20 10 EECDLP C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)Cn1cc[nH+]c1 ZINC000066990676 778266274 /nfs/dbraw/zinc/26/62/74/778266274.db2.gz QVLXRRIUWJDRJC-HNNXBMFYSA-N 2 2 332.423 2.285 20 10 EECDLP CCOC(=O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1O ZINC000846999508 790808563 /nfs/dbraw/zinc/80/85/63/790808563.db2.gz CPQWKIWYUWTHGH-UHFFFAOYSA-N 2 2 331.416 2.124 20 10 EECDLP c1cc(N2CCSCC2)ccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817887725 785022637 /nfs/dbraw/zinc/02/26/37/785022637.db2.gz CWLLDMDUNVVFSN-RTBURBONSA-N 2 2 347.528 2.096 20 10 EECDLP COc1cc(Cl)cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c1O ZINC000184693940 465019046 /nfs/dbraw/zinc/01/90/46/465019046.db2.gz VRTMDWILZFOAJM-UHFFFAOYSA-N 2 2 342.867 2.333 20 10 EECDLP COc1cc(Cl)cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c1O ZINC000184693940 465019049 /nfs/dbraw/zinc/01/90/49/465019049.db2.gz VRTMDWILZFOAJM-UHFFFAOYSA-N 2 2 342.867 2.333 20 10 EECDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368133060 466582465 /nfs/dbraw/zinc/58/24/65/466582465.db2.gz ICUNEPBEOBLLLF-KRWDZBQOSA-N 2 2 326.444 2.246 20 10 EECDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000368133060 466582471 /nfs/dbraw/zinc/58/24/71/466582471.db2.gz ICUNEPBEOBLLLF-KRWDZBQOSA-N 2 2 326.444 2.246 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000771845863 577233976 /nfs/dbraw/zinc/23/39/76/577233976.db2.gz JIKKYGOFUBWEEP-SFHVURJKSA-N 2 2 325.460 2.329 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000771384675 577614834 /nfs/dbraw/zinc/61/48/34/577614834.db2.gz PWJWNTDCHUFWTC-SFHVURJKSA-N 2 2 347.503 2.366 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000753609739 577790661 /nfs/dbraw/zinc/79/06/61/577790661.db2.gz GZEDLHJJEZHHRN-FXAWDEMLSA-N 2 2 347.503 2.364 20 10 EECDLP C[C@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC000891246889 676240401 /nfs/dbraw/zinc/24/04/01/676240401.db2.gz QROOZGIBFNNBMA-CRAIPNDOSA-N 2 2 343.475 2.319 20 10 EECDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248455 676242411 /nfs/dbraw/zinc/24/24/11/676242411.db2.gz MXTBRKRARYWWEA-KBXCAEBGSA-N 2 2 343.475 2.073 20 10 EECDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248455 676242412 /nfs/dbraw/zinc/24/24/12/676242412.db2.gz MXTBRKRARYWWEA-KBXCAEBGSA-N 2 2 343.475 2.073 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000925775846 1206153235 /nfs/dbraw/zinc/15/32/35/1206153235.db2.gz BECQFVGKOROYLO-KXBFYZLASA-N 2 2 344.503 2.009 20 10 EECDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000841100466 1315475797 /nfs/dbraw/zinc/47/57/97/1315475797.db2.gz ZCLKPQVUSRJMHI-LLVKDONJSA-N 2 2 339.802 2.072 20 10 EECDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)nn1 ZINC000841100466 1315475800 /nfs/dbraw/zinc/47/58/00/1315475800.db2.gz ZCLKPQVUSRJMHI-LLVKDONJSA-N 2 2 339.802 2.072 20 10 EECDLP COc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001203591254 1321918419 /nfs/dbraw/zinc/91/84/19/1321918419.db2.gz FJNVWJFGSRYZHC-IRXDYDNUSA-N 2 2 339.439 2.360 20 10 EECDLP C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@H](n2cncn2)C1 ZINC001327839630 1334353136 /nfs/dbraw/zinc/35/31/36/1334353136.db2.gz JOVQQEAAKUXBLH-GRGSLBFTSA-N 2 2 342.491 2.363 20 10 EECDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287576 1372557606 /nfs/dbraw/zinc/55/76/06/1372557606.db2.gz YXIOYXMKSSDPAR-YLJYHZDGSA-N 2 2 329.488 2.174 20 10 EECDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287576 1372557607 /nfs/dbraw/zinc/55/76/07/1372557607.db2.gz YXIOYXMKSSDPAR-YLJYHZDGSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287576 1372557617 /nfs/dbraw/zinc/55/76/17/1372557617.db2.gz YXIOYXMKSSDPAR-YLJYHZDGSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287576 1372557619 /nfs/dbraw/zinc/55/76/19/1372557619.db2.gz YXIOYXMKSSDPAR-YLJYHZDGSA-N 2 2 329.488 2.174 20 10 EECDLP Cc1cc(Br)cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1O ZINC000841100473 783542337 /nfs/dbraw/zinc/54/23/37/783542337.db2.gz INHYKRYKHNYQCG-ZDUSSCGKSA-N 2 2 329.238 2.013 20 10 EECDLP Cc1cc(Br)cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1O ZINC000841100473 783542343 /nfs/dbraw/zinc/54/23/43/783542343.db2.gz INHYKRYKHNYQCG-ZDUSSCGKSA-N 2 2 329.238 2.013 20 10 EECDLP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)cc1C ZINC001035062814 783631251 /nfs/dbraw/zinc/63/12/51/783631251.db2.gz OIEOIIURDLWFSL-QGZVFWFLSA-N 2 2 342.443 2.050 20 10 EECDLP COc1c(O)c(C[NH2+]CCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000278465023 463966845 /nfs/dbraw/zinc/96/68/45/463966845.db2.gz FZQFCLKHTCIFFI-UHFFFAOYSA-N 2 2 332.360 2.296 20 10 EECDLP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1O ZINC000282407090 464807321 /nfs/dbraw/zinc/80/73/21/464807321.db2.gz SAAKADRAGOETCJ-LBPRGKRZSA-N 2 2 327.419 2.347 20 10 EECDLP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1O ZINC000282407090 464807325 /nfs/dbraw/zinc/80/73/25/464807325.db2.gz SAAKADRAGOETCJ-LBPRGKRZSA-N 2 2 327.419 2.347 20 10 EECDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234978139 1305070225 /nfs/dbraw/zinc/07/02/25/1305070225.db2.gz IXCRCIZVCMAXCJ-LJQANCHMSA-N 2 2 341.430 2.288 20 10 EECDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCN2CC[NH2+]C[C@@H]2C1 ZINC001234978139 1305070231 /nfs/dbraw/zinc/07/02/31/1305070231.db2.gz IXCRCIZVCMAXCJ-LJQANCHMSA-N 2 2 341.430 2.288 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cc2F)CC1 ZINC001118803870 1308944044 /nfs/dbraw/zinc/94/40/44/1308944044.db2.gz QKSPSTRCRNIQOF-SFHVURJKSA-N 3 2 348.510 2.399 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cc2F)CC1 ZINC001118803870 1308944050 /nfs/dbraw/zinc/94/40/50/1308944050.db2.gz QKSPSTRCRNIQOF-SFHVURJKSA-N 3 2 348.510 2.399 20 10 EECDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c(O)cccc1Cl ZINC001140345692 1314874744 /nfs/dbraw/zinc/87/47/44/1314874744.db2.gz YDFRKXVEMRWPBC-UHFFFAOYSA-N 2 2 328.840 2.362 20 10 EECDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c(O)cccc1Cl ZINC001140345692 1314874748 /nfs/dbraw/zinc/87/47/48/1314874748.db2.gz YDFRKXVEMRWPBC-UHFFFAOYSA-N 2 2 328.840 2.362 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727247 1317494063 /nfs/dbraw/zinc/49/40/63/1317494063.db2.gz QEKVVQDOSPNONO-ROUUACIJSA-N 3 2 346.494 2.294 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727247 1317494067 /nfs/dbraw/zinc/49/40/67/1317494067.db2.gz QEKVVQDOSPNONO-ROUUACIJSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727247 1317494070 /nfs/dbraw/zinc/49/40/70/1317494070.db2.gz QEKVVQDOSPNONO-ROUUACIJSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727247 1317494074 /nfs/dbraw/zinc/49/40/74/1317494074.db2.gz QEKVVQDOSPNONO-ROUUACIJSA-N 2 2 346.494 2.294 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000848718633 1338746780 /nfs/dbraw/zinc/74/67/80/1338746780.db2.gz OORYTQUYAFTYRH-ROUUACIJSA-N 3 2 346.519 2.067 20 10 EECDLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Br)ccc1O ZINC000717428981 1369669762 /nfs/dbraw/zinc/66/97/62/1369669762.db2.gz WYGZQRGVIXDJDZ-DGCLKSJQSA-N 2 2 331.254 2.118 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000817902990 785056875 /nfs/dbraw/zinc/05/68/75/785056875.db2.gz DEMLZBRJAJUWEK-DOTOQJQBSA-N 2 2 333.476 2.021 20 10 EECDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1(C(=O)OC)CCC1 ZINC000817939446 785087021 /nfs/dbraw/zinc/08/70/21/785087021.db2.gz BFVNOUUHFPDHDK-IRXDYDNUSA-N 2 2 333.476 2.464 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@@H](C)OC)CC2)cc1 ZINC000268737571 463788680 /nfs/dbraw/zinc/78/86/80/463788680.db2.gz OTMMCQYMSMYBDG-DLBZAZTESA-N 2 2 335.492 2.220 20 10 EECDLP C[NH+](Cc1ccccc1O)CC(O)C[N@@H+](C)Cc1ccccc1O ZINC000194723245 463915331 /nfs/dbraw/zinc/91/53/31/463915331.db2.gz QPIUDMKHNJBUOR-UHFFFAOYSA-N 2 2 330.428 2.023 20 10 EECDLP C[NH+](Cc1ccccc1O)CC(O)C[N@H+](C)Cc1ccccc1O ZINC000194723245 463915335 /nfs/dbraw/zinc/91/53/35/463915335.db2.gz QPIUDMKHNJBUOR-UHFFFAOYSA-N 2 2 330.428 2.023 20 10 EECDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(Br)ccc1O ZINC000273417181 464714741 /nfs/dbraw/zinc/71/47/41/464714741.db2.gz RCYXXUNLQYPZAI-AAEUAGOBSA-N 2 2 343.265 2.262 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ncon3)cc2)CC1 ZINC000775671082 577442333 /nfs/dbraw/zinc/44/23/33/577442333.db2.gz UHCCPHGSFATNCL-KRWDZBQOSA-N 2 2 327.432 2.159 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ncon3)cc2)CC1 ZINC000775671082 577442334 /nfs/dbraw/zinc/44/23/34/577442334.db2.gz UHCCPHGSFATNCL-KRWDZBQOSA-N 2 2 327.432 2.159 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1 ZINC000764470619 577736887 /nfs/dbraw/zinc/73/68/87/577736887.db2.gz JEJUDFBBAXOSSZ-RDTXWAMCSA-N 2 2 331.460 2.120 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1 ZINC000764470619 577736888 /nfs/dbraw/zinc/73/68/88/577736888.db2.gz JEJUDFBBAXOSSZ-RDTXWAMCSA-N 2 2 331.460 2.120 20 10 EECDLP CC[N@H+](CC(C)C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754009662 577798507 /nfs/dbraw/zinc/79/85/07/577798507.db2.gz JVGAIKVPQNKGHR-IBGZPJMESA-N 2 2 349.519 2.156 20 10 EECDLP CC[N@@H+](CC(C)C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754009662 577798508 /nfs/dbraw/zinc/79/85/08/577798508.db2.gz JVGAIKVPQNKGHR-IBGZPJMESA-N 2 2 349.519 2.156 20 10 EECDLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080744 1205764399 /nfs/dbraw/zinc/76/43/99/1205764399.db2.gz TYUBIUZZBOOIHN-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080744 1205764401 /nfs/dbraw/zinc/76/44/01/1205764401.db2.gz TYUBIUZZBOOIHN-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080744 1205764402 /nfs/dbraw/zinc/76/44/02/1205764402.db2.gz TYUBIUZZBOOIHN-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1O ZINC001276080744 1205764403 /nfs/dbraw/zinc/76/44/03/1205764403.db2.gz TYUBIUZZBOOIHN-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP COC(=O)c1c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001232405769 1304110361 /nfs/dbraw/zinc/11/03/61/1304110361.db2.gz QDVGWNHNJPQEKT-FQEVSTJZSA-N 2 2 341.455 2.493 20 10 EECDLP COC(=O)c1c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc2n1C ZINC001232405769 1304110369 /nfs/dbraw/zinc/11/03/69/1304110369.db2.gz QDVGWNHNJPQEKT-FQEVSTJZSA-N 2 2 341.455 2.493 20 10 EECDLP COC(=O)c1c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc2n1C ZINC001232405769 1304110370 /nfs/dbraw/zinc/11/03/70/1304110370.db2.gz QDVGWNHNJPQEKT-FQEVSTJZSA-N 2 2 341.455 2.493 20 10 EECDLP COC(=O)c1c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc2n1C ZINC001232405769 1304110376 /nfs/dbraw/zinc/11/03/76/1304110376.db2.gz QDVGWNHNJPQEKT-FQEVSTJZSA-N 2 2 341.455 2.493 20 10 EECDLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)c1 ZINC001232839390 1304267205 /nfs/dbraw/zinc/26/72/05/1304267205.db2.gz IJWHVJUSYLAHIG-UHFFFAOYSA-N 2 2 326.444 2.484 20 10 EECDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001234978130 1305070404 /nfs/dbraw/zinc/07/04/04/1305070404.db2.gz IXCRCIZVCMAXCJ-IBGZPJMESA-N 2 2 341.430 2.288 20 10 EECDLP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCN2CC[NH2+]C[C@H]2C1 ZINC001234978130 1305070410 /nfs/dbraw/zinc/07/04/10/1305070410.db2.gz IXCRCIZVCMAXCJ-IBGZPJMESA-N 2 2 341.430 2.288 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843051099 1315830085 /nfs/dbraw/zinc/83/00/85/1315830085.db2.gz DZRGUPYCZPMBIK-BXKDBHETSA-N 2 2 329.238 2.332 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1O ZINC000843051099 1315830081 /nfs/dbraw/zinc/83/00/81/1315830081.db2.gz DZRGUPYCZPMBIK-BXKDBHETSA-N 2 2 329.238 2.332 20 10 EECDLP Oc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254842970 1318202635 /nfs/dbraw/zinc/20/26/35/1318202635.db2.gz CUANNDMOFZGVHQ-LJQANCHMSA-N 2 2 329.488 2.431 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206201886 1323425150 /nfs/dbraw/zinc/42/51/50/1323425150.db2.gz ZPQYRQUDBRHHTD-QWHCGFSZSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206201886 1323425156 /nfs/dbraw/zinc/42/51/56/1323425156.db2.gz ZPQYRQUDBRHHTD-QWHCGFSZSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](O)C(C)(C)C)CC2)cc1 ZINC000818943600 1326104459 /nfs/dbraw/zinc/10/44/59/1326104459.db2.gz WMACOABQAPZQTA-IBGZPJMESA-N 2 2 349.519 2.204 20 10 EECDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC001319696153 1332744481 /nfs/dbraw/zinc/74/44/81/1332744481.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC001319696153 1332744486 /nfs/dbraw/zinc/74/44/86/1332744486.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001319696153 1332744489 /nfs/dbraw/zinc/74/44/89/1332744489.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001319696153 1332744493 /nfs/dbraw/zinc/74/44/93/1332744493.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 3 2 348.510 2.351 20 10 EECDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055975 1350842257 /nfs/dbraw/zinc/84/22/57/1350842257.db2.gz SBFIGMDYYRHAKS-XEZPLFJOSA-N 2 2 342.447 2.240 20 10 EECDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055975 1350842260 /nfs/dbraw/zinc/84/22/60/1350842260.db2.gz SBFIGMDYYRHAKS-XEZPLFJOSA-N 2 2 342.447 2.240 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C3CCC(O)CC3)CC2)cc1 ZINC000285557366 464608569 /nfs/dbraw/zinc/60/85/69/464608569.db2.gz HBHHNFOWMHNSOZ-UHFFFAOYSA-N 2 2 347.503 2.100 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)N3CCC[N@H+](C)CC3)CC2)cc1 ZINC000726715423 576291534 /nfs/dbraw/zinc/29/15/34/576291534.db2.gz SCKYBGIXQOWHEV-UHFFFAOYSA-N 2 2 346.475 2.011 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)N3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000726715423 576291536 /nfs/dbraw/zinc/29/15/36/576291536.db2.gz SCKYBGIXQOWHEV-UHFFFAOYSA-N 2 2 346.475 2.011 20 10 EECDLP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000894378863 682731446 /nfs/dbraw/zinc/73/14/46/682731446.db2.gz XHIBIYHFBGMCLE-UHFFFAOYSA-N 2 2 329.847 2.302 20 10 EECDLP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(F)c2O)CC1 ZINC000894378863 682731451 /nfs/dbraw/zinc/73/14/51/682731451.db2.gz XHIBIYHFBGMCLE-UHFFFAOYSA-N 2 2 329.847 2.302 20 10 EECDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528236 1199957081 /nfs/dbraw/zinc/95/70/81/1199957081.db2.gz WHUSLKCFEIIHMI-UHFFFAOYSA-N 2 2 328.460 2.366 20 10 EECDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528236 1199957083 /nfs/dbraw/zinc/95/70/83/1199957083.db2.gz WHUSLKCFEIIHMI-UHFFFAOYSA-N 2 2 328.460 2.366 20 10 EECDLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3O)C2)C1 ZINC001275266575 1205294034 /nfs/dbraw/zinc/29/40/34/1205294034.db2.gz AZSMBRLTMJWTFE-FQEVSTJZSA-N 2 2 345.487 2.158 20 10 EECDLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3O)C2)C1 ZINC001275266575 1205294036 /nfs/dbraw/zinc/29/40/36/1205294036.db2.gz AZSMBRLTMJWTFE-FQEVSTJZSA-N 2 2 345.487 2.158 20 10 EECDLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccccc3O)C2)C1 ZINC001275266575 1205294037 /nfs/dbraw/zinc/29/40/37/1205294037.db2.gz AZSMBRLTMJWTFE-FQEVSTJZSA-N 2 2 345.487 2.158 20 10 EECDLP CN(C)C(=O)C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)C1 ZINC001275266575 1205294039 /nfs/dbraw/zinc/29/40/39/1205294039.db2.gz AZSMBRLTMJWTFE-FQEVSTJZSA-N 2 2 345.487 2.158 20 10 EECDLP Oc1ccc(O)c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418825 1205351659 /nfs/dbraw/zinc/35/16/59/1205351659.db2.gz KEQVTJDZJFVXRW-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(O)c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418825 1205351662 /nfs/dbraw/zinc/35/16/62/1205351662.db2.gz KEQVTJDZJFVXRW-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(O)c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418825 1205351664 /nfs/dbraw/zinc/35/16/64/1205351664.db2.gz KEQVTJDZJFVXRW-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(O)c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418825 1205351665 /nfs/dbraw/zinc/35/16/65/1205351665.db2.gz KEQVTJDZJFVXRW-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779960 1305384123 /nfs/dbraw/zinc/38/41/23/1305384123.db2.gz YWYDZWWBOBJTIS-HZPDHXFCSA-N 2 2 341.455 2.228 20 10 EECDLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001235779960 1305384134 /nfs/dbraw/zinc/38/41/34/1305384134.db2.gz YWYDZWWBOBJTIS-HZPDHXFCSA-N 2 2 341.455 2.228 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)cc2F)CC1 ZINC001261370489 1322083167 /nfs/dbraw/zinc/08/31/67/1322083167.db2.gz LBMBTMSQZJZXCT-LJQANCHMSA-N 3 2 334.483 2.057 20 10 EECDLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635939 /nfs/dbraw/zinc/63/59/39/1324635939.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 2 327.472 2.227 20 10 EECDLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635945 /nfs/dbraw/zinc/63/59/45/1324635945.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 2 327.472 2.227 20 10 EECDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635952 /nfs/dbraw/zinc/63/59/52/1324635952.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 2 327.472 2.227 20 10 EECDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635958 /nfs/dbraw/zinc/63/59/58/1324635958.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 2 327.472 2.227 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278236132 463959080 /nfs/dbraw/zinc/95/90/80/463959080.db2.gz NFDQXUNCQMYHJR-ZDUSSCGKSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278236132 463959084 /nfs/dbraw/zinc/95/90/84/463959084.db2.gz NFDQXUNCQMYHJR-ZDUSSCGKSA-N 2 2 335.404 2.227 20 10 EECDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1O)CN1CC[NH+](C)CC1 ZINC000187698798 464151782 /nfs/dbraw/zinc/15/17/82/464151782.db2.gz DYHPMRKHWTWCIG-STQMWFEESA-N 2 2 327.419 2.205 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000771845861 577234088 /nfs/dbraw/zinc/23/40/88/577234088.db2.gz JIKKYGOFUBWEEP-GOSISDBHSA-N 2 2 325.460 2.329 20 10 EECDLP CCC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010175 577798502 /nfs/dbraw/zinc/79/85/02/577798502.db2.gz NMEPSAVPDVJBEP-IEBWSBKVSA-N 2 2 349.519 2.299 20 10 EECDLP CCC[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010175 577798503 /nfs/dbraw/zinc/79/85/03/577798503.db2.gz NMEPSAVPDVJBEP-IEBWSBKVSA-N 2 2 349.519 2.299 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370253 1202054598 /nfs/dbraw/zinc/05/45/98/1202054598.db2.gz INTBKJBRVYQRAL-QZTJIDSGSA-N 2 2 347.503 2.148 20 10 EECDLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000815580688 1278145300 /nfs/dbraw/zinc/14/53/00/1278145300.db2.gz OWEGRMSPTXCVGF-ROUUACIJSA-N 2 2 347.503 2.066 20 10 EECDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000858468527 1294125282 /nfs/dbraw/zinc/12/52/82/1294125282.db2.gz IIULCLXKTXIURF-GJZGRUSLSA-N 2 2 339.867 2.426 20 10 EECDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000858468527 1294125285 /nfs/dbraw/zinc/12/52/85/1294125285.db2.gz IIULCLXKTXIURF-GJZGRUSLSA-N 2 2 339.867 2.426 20 10 EECDLP COCCC[N@H+](Cc1ccc2c(c1)OCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001235806988 1305400323 /nfs/dbraw/zinc/40/03/23/1305400323.db2.gz RCJPLJLPDJDOKI-QGZVFWFLSA-N 2 2 333.476 2.106 20 10 EECDLP COCCC[N@@H+](Cc1ccc2c(c1)OCCN2C)[C@@H]1CCC[NH2+]C1 ZINC001235806988 1305400336 /nfs/dbraw/zinc/40/03/36/1305400336.db2.gz RCJPLJLPDJDOKI-QGZVFWFLSA-N 2 2 333.476 2.106 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236252285 1305546136 /nfs/dbraw/zinc/54/61/36/1305546136.db2.gz GOKYLFGXOBKHMG-OAHLLOKOSA-N 2 2 336.432 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236252285 1305546146 /nfs/dbraw/zinc/54/61/46/1305546146.db2.gz GOKYLFGXOBKHMG-OAHLLOKOSA-N 2 2 336.432 2.037 20 10 EECDLP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(O)c1 ZINC000092703912 780614322 /nfs/dbraw/zinc/61/43/22/780614322.db2.gz KQBYDDUQEMEBIF-UHFFFAOYSA-N 2 2 328.416 2.130 20 10 EECDLP CN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535031 784105162 /nfs/dbraw/zinc/10/51/62/784105162.db2.gz CKHRHVIQKBSONX-UHFFFAOYSA-N 2 2 329.847 2.302 20 10 EECDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018057 237040928 /nfs/dbraw/zinc/04/09/28/237040928.db2.gz YLPGHFALJQDBKP-MRXNPFEDSA-N 2 2 334.460 2.335 20 10 EECDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018057 237040936 /nfs/dbraw/zinc/04/09/36/237040936.db2.gz YLPGHFALJQDBKP-MRXNPFEDSA-N 2 2 334.460 2.335 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]CC3([NH3+])CCCCC3)cc2F)CC1 ZINC001118018681 1306244659 /nfs/dbraw/zinc/24/46/59/1306244659.db2.gz HOARGKCDJHPBBO-UHFFFAOYSA-N 3 2 334.483 2.329 20 10 EECDLP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001118808969 1308944871 /nfs/dbraw/zinc/94/48/71/1308944871.db2.gz ZRJHAIXKHWNWJF-KKUMJFAQSA-N 2 2 331.460 2.178 20 10 EECDLP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001118808969 1308944873 /nfs/dbraw/zinc/94/48/73/1308944873.db2.gz ZRJHAIXKHWNWJF-KKUMJFAQSA-N 2 2 331.460 2.178 20 10 EECDLP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667060 1372630583 /nfs/dbraw/zinc/63/05/83/1372630583.db2.gz HFXPQOXTVRAANW-IRXDYDNUSA-N 2 2 333.451 2.046 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000844225448 788916993 /nfs/dbraw/zinc/91/69/93/788916993.db2.gz AQVQZTSKZLCHBZ-LJQANCHMSA-N 2 2 346.519 2.208 20 10 EECDLP CC1(C)C[NH+]=C(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)S1 ZINC000271121385 464281176 /nfs/dbraw/zinc/28/11/76/464281176.db2.gz ICCDEELVWUHMLT-UHFFFAOYSA-N 2 2 349.456 2.120 20 10 EECDLP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000769999724 577588660 /nfs/dbraw/zinc/58/86/60/577588660.db2.gz BPNKJMBHCKDSOP-QWHCGFSZSA-N 2 2 327.419 2.347 20 10 EECDLP CCC[N@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000754028239 577798825 /nfs/dbraw/zinc/79/88/25/577798825.db2.gz SRZDXTJNDONWQT-IBGZPJMESA-N 2 2 347.503 2.053 20 10 EECDLP CCC[N@@H+](C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000754028239 577798826 /nfs/dbraw/zinc/79/88/26/577798826.db2.gz SRZDXTJNDONWQT-IBGZPJMESA-N 2 2 347.503 2.053 20 10 EECDLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756413165 577843681 /nfs/dbraw/zinc/84/36/81/577843681.db2.gz YAWOGTXNVBVFFZ-CHWSQXEVSA-N 2 2 327.419 2.347 20 10 EECDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569338 577847079 /nfs/dbraw/zinc/84/70/79/577847079.db2.gz MUIKDEPHWSAFCY-WCQYABFASA-N 2 2 342.281 2.051 20 10 EECDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569338 577847080 /nfs/dbraw/zinc/84/70/80/577847080.db2.gz MUIKDEPHWSAFCY-WCQYABFASA-N 2 2 342.281 2.051 20 10 EECDLP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000873294310 1198553902 /nfs/dbraw/zinc/55/39/02/1198553902.db2.gz UOTIPFYUJABFMU-DGCLKSJQSA-N 2 2 326.387 2.480 20 10 EECDLP COc1ccc(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)c(OC)c1 ZINC000879461444 1201079599 /nfs/dbraw/zinc/07/95/99/1201079599.db2.gz CGEYJOQWMSEPJG-UHFFFAOYSA-N 2 2 344.459 2.192 20 10 EECDLP CC(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882886781 1201968841 /nfs/dbraw/zinc/96/88/41/1201968841.db2.gz LLXSICXTSWGFIG-MRXNPFEDSA-N 2 2 327.419 2.032 20 10 EECDLP CC(C)(C)c1cc(O)c(C[NH+]2CC(N3CC[NH2+]CC3)C2)cc1Cl ZINC001236160526 1305517704 /nfs/dbraw/zinc/51/77/04/1305517704.db2.gz HNZWGVNLLZKAGU-UHFFFAOYSA-N 2 2 337.895 2.433 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC001203671928 1321937308 /nfs/dbraw/zinc/93/73/08/1321937308.db2.gz ZOWPANGKKFPCNL-ROUUACIJSA-N 2 2 339.439 2.360 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1O ZINC001140744575 1372661519 /nfs/dbraw/zinc/66/15/19/1372661519.db2.gz CJUQDULHFMTWDW-IAGOWNOFSA-N 2 2 339.439 2.365 20 10 EECDLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816534707 784104862 /nfs/dbraw/zinc/10/48/62/784104862.db2.gz RRDPTOWMHMJVCD-UHFFFAOYSA-N 2 2 329.847 2.300 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206197260 797320110 /nfs/dbraw/zinc/32/01/10/797320110.db2.gz HNHHQBOWXLTBMK-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(O)cc1Br ZINC001206197260 797320118 /nfs/dbraw/zinc/32/01/18/797320118.db2.gz HNHHQBOWXLTBMK-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018059 237043539 /nfs/dbraw/zinc/04/35/39/237043539.db2.gz YLPGHFALJQDBKP-INIZCTEOSA-N 2 2 334.460 2.335 20 10 EECDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000093018059 237043551 /nfs/dbraw/zinc/04/35/51/237043551.db2.gz YLPGHFALJQDBKP-INIZCTEOSA-N 2 2 334.460 2.335 20 10 EECDLP CCOc1cccc(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1O ZINC000093663016 237048068 /nfs/dbraw/zinc/04/80/68/237048068.db2.gz OZQMYOBXWDQFSD-ZDUSSCGKSA-N 2 2 335.473 2.400 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000222072648 464126763 /nfs/dbraw/zinc/12/67/63/464126763.db2.gz FASHVKNWZWXECV-ZIAGYGMSSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000222072648 464126766 /nfs/dbraw/zinc/12/67/66/464126766.db2.gz FASHVKNWZWXECV-ZIAGYGMSSA-N 2 2 341.249 2.108 20 10 EECDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248456 676242559 /nfs/dbraw/zinc/24/25/59/676242559.db2.gz MXTBRKRARYWWEA-KDOFPFPSSA-N 2 2 343.475 2.073 20 10 EECDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248456 676242561 /nfs/dbraw/zinc/24/25/61/676242561.db2.gz MXTBRKRARYWWEA-KDOFPFPSSA-N 2 2 343.475 2.073 20 10 EECDLP COc1ccc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000879461349 1201080254 /nfs/dbraw/zinc/08/02/54/1201080254.db2.gz AYZSGMDHIZXSTN-MRXNPFEDSA-N 2 2 333.476 2.310 20 10 EECDLP COc1ccc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c(OC)c1 ZINC000879461349 1201080259 /nfs/dbraw/zinc/08/02/59/1201080259.db2.gz AYZSGMDHIZXSTN-MRXNPFEDSA-N 2 2 333.476 2.310 20 10 EECDLP COc1ccc([N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1 ZINC001274791981 1205169633 /nfs/dbraw/zinc/16/96/33/1205169633.db2.gz XMZKFSVKRDGHHC-HXUWFJFHSA-N 2 2 345.487 2.466 20 10 EECDLP COc1ccc([N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)CC2)cc1 ZINC001274791981 1205169636 /nfs/dbraw/zinc/16/96/36/1205169636.db2.gz XMZKFSVKRDGHHC-HXUWFJFHSA-N 2 2 345.487 2.466 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1C ZINC001000565327 1240522441 /nfs/dbraw/zinc/52/24/41/1240522441.db2.gz QREHTUUUBWREIH-MRXNPFEDSA-N 2 2 342.443 2.050 20 10 EECDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1O ZINC001140466018 1314892470 /nfs/dbraw/zinc/89/24/70/1314892470.db2.gz YUPKPOHWKHFDQC-UHFFFAOYSA-N 2 2 328.840 2.362 20 10 EECDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1O ZINC001140466018 1314892475 /nfs/dbraw/zinc/89/24/75/1314892475.db2.gz YUPKPOHWKHFDQC-UHFFFAOYSA-N 2 2 328.840 2.362 20 10 EECDLP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000841038092 1315459870 /nfs/dbraw/zinc/45/98/70/1315459870.db2.gz UDJHDINFSASCID-GOSISDBHSA-N 2 2 329.419 2.452 20 10 EECDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053901 1350841176 /nfs/dbraw/zinc/84/11/76/1350841176.db2.gz FWMUYBZNISHYIW-CZUORRHYSA-N 2 2 344.463 2.345 20 10 EECDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053901 1350841178 /nfs/dbraw/zinc/84/11/78/1350841178.db2.gz FWMUYBZNISHYIW-CZUORRHYSA-N 2 2 344.463 2.345 20 10 EECDLP Cc1noc([C@@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000809720826 783336767 /nfs/dbraw/zinc/33/67/67/783336767.db2.gz HQNDOVXYJGITSM-SFHVURJKSA-N 2 2 341.459 2.467 20 10 EECDLP Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000809720826 783336774 /nfs/dbraw/zinc/33/67/74/783336774.db2.gz HQNDOVXYJGITSM-SFHVURJKSA-N 2 2 341.459 2.467 20 10 EECDLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Br)cc2O)CC1 ZINC000824474238 788182198 /nfs/dbraw/zinc/18/21/98/788182198.db2.gz KXOJCBWWFIIDEH-UHFFFAOYSA-N 2 2 343.265 2.043 20 10 EECDLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Br)cc2O)CC1 ZINC000824474238 788182202 /nfs/dbraw/zinc/18/22/02/788182202.db2.gz KXOJCBWWFIIDEH-UHFFFAOYSA-N 2 2 343.265 2.043 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000192454538 237316538 /nfs/dbraw/zinc/31/65/38/237316538.db2.gz CQIUVQXJQPVATE-XLIONFOSSA-N 2 2 347.503 2.222 20 10 EECDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)cc1O ZINC000756561740 577846860 /nfs/dbraw/zinc/84/68/60/577846860.db2.gz HPYILPKMGORGGB-ZDUSSCGKSA-N 2 2 337.439 2.125 20 10 EECDLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(O)c1OC ZINC000894112138 681338522 /nfs/dbraw/zinc/33/85/22/681338522.db2.gz AELQNIOXBMJPPO-OAHLLOKOSA-N 2 2 330.384 2.458 20 10 EECDLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(O)c1OC ZINC000894112138 681338524 /nfs/dbraw/zinc/33/85/24/681338524.db2.gz AELQNIOXBMJPPO-OAHLLOKOSA-N 2 2 330.384 2.458 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@@H]2C)cc1C ZINC000987267211 689552188 /nfs/dbraw/zinc/55/21/88/689552188.db2.gz MONBBVLERWRDGE-GDBMZVCRSA-N 2 2 342.443 2.048 20 10 EECDLP Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418827 1205351735 /nfs/dbraw/zinc/35/17/35/1205351735.db2.gz KEQVTJDZJFVXRW-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418827 1205351736 /nfs/dbraw/zinc/35/17/36/1205351736.db2.gz KEQVTJDZJFVXRW-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(O)c(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418827 1205351739 /nfs/dbraw/zinc/35/17/39/1205351739.db2.gz KEQVTJDZJFVXRW-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(O)c(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c1 ZINC001275418827 1205351741 /nfs/dbraw/zinc/35/17/41/1205351741.db2.gz KEQVTJDZJFVXRW-LJQANCHMSA-N 2 2 342.443 2.309 20 10 EECDLP CN(C)c1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c(Cl)c1 ZINC001276155432 1205802944 /nfs/dbraw/zinc/80/29/44/1205802944.db2.gz HJNUJYVXZWHHRH-UHFFFAOYSA-N 2 2 336.911 2.085 20 10 EECDLP Cc1cc(C)c(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)c(O)c1 ZINC001276364733 1216913455 /nfs/dbraw/zinc/91/34/55/1216913455.db2.gz DLZUTNNMBVAKSG-UHFFFAOYSA-N 2 2 326.444 2.166 20 10 EECDLP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC000858468949 1294125641 /nfs/dbraw/zinc/12/56/41/1294125641.db2.gz NRFAFQFDBHEBJA-WFASDCNBSA-N 2 2 339.867 2.344 20 10 EECDLP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1O ZINC000858468949 1294125646 /nfs/dbraw/zinc/12/56/46/1294125646.db2.gz NRFAFQFDBHEBJA-WFASDCNBSA-N 2 2 339.867 2.344 20 10 EECDLP c1cn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc3c(c2)OCCO3)c[nH+]1 ZINC001277014258 1300831359 /nfs/dbraw/zinc/83/13/59/1300831359.db2.gz NRDLKOSQTAYZQP-CALCHBBNSA-N 2 2 340.427 2.008 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237406995 1305922402 /nfs/dbraw/zinc/92/24/02/1305922402.db2.gz WMFZCFYOSSWMRV-LPHOPBHVSA-N 2 2 333.451 2.236 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237406995 1305922406 /nfs/dbraw/zinc/92/24/06/1305922406.db2.gz WMFZCFYOSSWMRV-LPHOPBHVSA-N 2 2 333.451 2.236 20 10 EECDLP COc1ccncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001261232490 1322048677 /nfs/dbraw/zinc/04/86/77/1322048677.db2.gz IMRKMCQLGHTGDC-UHFFFAOYSA-N 2 2 344.434 2.271 20 10 EECDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287575 1372557805 /nfs/dbraw/zinc/55/78/05/1372557805.db2.gz YXIOYXMKSSDPAR-XLIONFOSSA-N 2 2 329.488 2.174 20 10 EECDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287575 1372557811 /nfs/dbraw/zinc/55/78/11/1372557811.db2.gz YXIOYXMKSSDPAR-XLIONFOSSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287575 1372557814 /nfs/dbraw/zinc/55/78/14/1372557814.db2.gz YXIOYXMKSSDPAR-XLIONFOSSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287575 1372557821 /nfs/dbraw/zinc/55/78/21/1372557821.db2.gz YXIOYXMKSSDPAR-XLIONFOSSA-N 2 2 329.488 2.174 20 10 EECDLP CCN(C)c1cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]cn1 ZINC001167427057 758351803 /nfs/dbraw/zinc/35/18/03/758351803.db2.gz VVEQDYFUFJUMEK-UHFFFAOYSA-N 2 2 340.475 2.297 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000809700843 783291596 /nfs/dbraw/zinc/29/15/96/783291596.db2.gz PFHHYIKSGMZOKX-XKPFWTEKSA-N 2 2 349.544 2.170 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C)[S@@]1=O ZINC000809700843 783291600 /nfs/dbraw/zinc/29/16/00/783291600.db2.gz PFHHYIKSGMZOKX-XKPFWTEKSA-N 2 2 349.544 2.170 20 10 EECDLP Cc1noc([C@H]2CCC[N@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000809720822 783336283 /nfs/dbraw/zinc/33/62/83/783336283.db2.gz HQNDOVXYJGITSM-GOSISDBHSA-N 2 2 341.459 2.467 20 10 EECDLP Cc1noc([C@H]2CCC[N@@H+]2Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000809720822 783336293 /nfs/dbraw/zinc/33/62/93/783336293.db2.gz HQNDOVXYJGITSM-GOSISDBHSA-N 2 2 341.459 2.467 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206200975 797476144 /nfs/dbraw/zinc/47/61/44/797476144.db2.gz UUAYXFFZAWDHDS-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1Br ZINC001206200975 797476147 /nfs/dbraw/zinc/47/61/47/797476147.db2.gz UUAYXFFZAWDHDS-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000102560277 237071663 /nfs/dbraw/zinc/07/16/63/237071663.db2.gz FVOJZWZNYVOMKM-UHFFFAOYSA-N 2 2 340.471 2.392 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000237273811 464295135 /nfs/dbraw/zinc/29/51/35/464295135.db2.gz QXBYTLTXPGWWCN-MRXNPFEDSA-N 2 2 335.517 2.302 20 10 EECDLP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]cc3F)CC2)cc1 ZINC000775484025 577438279 /nfs/dbraw/zinc/43/82/79/577438279.db2.gz ZVGMOIKFIVITJO-UHFFFAOYSA-N 2 2 344.434 2.275 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)C3CCCC3)CC2)cc1 ZINC000753998764 577798215 /nfs/dbraw/zinc/79/82/15/577798215.db2.gz KVEQPEDQBUEZHM-LJQANCHMSA-N 2 2 347.503 2.053 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)C3CCCC3)CC2)cc1 ZINC000753998764 577798216 /nfs/dbraw/zinc/79/82/16/577798216.db2.gz KVEQPEDQBUEZHM-LJQANCHMSA-N 2 2 347.503 2.053 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000093078823 1214760087 /nfs/dbraw/zinc/76/00/87/1214760087.db2.gz MHLAXDPJCSCVJV-UHFFFAOYSA-N 2 2 326.444 2.478 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727248 1317494188 /nfs/dbraw/zinc/49/41/88/1317494188.db2.gz QEKVVQDOSPNONO-ZWKOTPCHSA-N 3 2 346.494 2.294 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727248 1317494190 /nfs/dbraw/zinc/49/41/90/1317494190.db2.gz QEKVVQDOSPNONO-ZWKOTPCHSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727248 1317494192 /nfs/dbraw/zinc/49/41/92/1317494192.db2.gz QEKVVQDOSPNONO-ZWKOTPCHSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727248 1317494196 /nfs/dbraw/zinc/49/41/96/1317494196.db2.gz QEKVVQDOSPNONO-ZWKOTPCHSA-N 2 2 346.494 2.294 20 10 EECDLP CN(C)c1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c2ccccc21 ZINC001204240224 1322087783 /nfs/dbraw/zinc/08/77/83/1322087783.db2.gz LVIWXZKFJRARDQ-UHFFFAOYSA-N 2 2 338.499 2.337 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961580 1349082492 /nfs/dbraw/zinc/08/24/92/1349082492.db2.gz ROLLZMXTJLNENG-UONOGXRCSA-N 2 2 344.463 2.487 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961580 1349082501 /nfs/dbraw/zinc/08/25/01/1349082501.db2.gz ROLLZMXTJLNENG-UONOGXRCSA-N 2 2 344.463 2.487 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000691461520 1371206118 /nfs/dbraw/zinc/20/61/18/1371206118.db2.gz IQJFRDZNCKVRHY-KGLIPLIRSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000691461520 1371206123 /nfs/dbraw/zinc/20/61/23/1371206123.db2.gz IQJFRDZNCKVRHY-KGLIPLIRSA-N 2 2 341.249 2.108 20 10 EECDLP COc1ccc(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000817939706 785087069 /nfs/dbraw/zinc/08/70/69/785087069.db2.gz AWXNPKJNLBTABL-KSSFIOAISA-N 2 2 328.460 2.377 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)CCCn2cc[nH+]c2)cc1C ZINC001177351813 798903683 /nfs/dbraw/zinc/90/36/83/798903683.db2.gz SSEORGMULQSCHD-UHFFFAOYSA-N 2 2 344.459 2.276 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)[C@H]3CCOC3)CC2)cc1 ZINC000162793762 463538447 /nfs/dbraw/zinc/53/84/47/463538447.db2.gz UJMYQCBYRSQGDP-ROUUACIJSA-N 2 2 347.503 2.222 20 10 EECDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000184728661 465022523 /nfs/dbraw/zinc/02/25/23/465022523.db2.gz DOXMHXVUCAFMEZ-ZDUSSCGKSA-N 2 2 329.400 2.309 20 10 EECDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000184728661 465022527 /nfs/dbraw/zinc/02/25/27/465022527.db2.gz DOXMHXVUCAFMEZ-ZDUSSCGKSA-N 2 2 329.400 2.309 20 10 EECDLP CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642360 577441602 /nfs/dbraw/zinc/44/16/02/577441602.db2.gz FURTYPUTAVIRSY-LJQANCHMSA-N 2 2 345.487 2.356 20 10 EECDLP CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775642360 577441603 /nfs/dbraw/zinc/44/16/03/577441603.db2.gz FURTYPUTAVIRSY-LJQANCHMSA-N 2 2 345.487 2.356 20 10 EECDLP CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727449 577444015 /nfs/dbraw/zinc/44/40/15/577444015.db2.gz RRFSLOZTZLYEAN-INIZCTEOSA-N 2 2 333.476 2.210 20 10 EECDLP CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775727449 577444016 /nfs/dbraw/zinc/44/40/16/577444016.db2.gz RRFSLOZTZLYEAN-INIZCTEOSA-N 2 2 333.476 2.210 20 10 EECDLP CC[NH+]1CCC([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000749115030 577971354 /nfs/dbraw/zinc/97/13/54/577971354.db2.gz HCWLVQQBMGXBDK-UHFFFAOYSA-N 2 2 346.519 2.127 20 10 EECDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000749115030 577971355 /nfs/dbraw/zinc/97/13/55/577971355.db2.gz HCWLVQQBMGXBDK-UHFFFAOYSA-N 2 2 346.519 2.127 20 10 EECDLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1O ZINC001276079931 1205762814 /nfs/dbraw/zinc/76/28/14/1205762814.db2.gz HAJNOLVDVDEICE-ROUUACIJSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c1O ZINC001276079931 1205762815 /nfs/dbraw/zinc/76/28/15/1205762815.db2.gz HAJNOLVDVDEICE-ROUUACIJSA-N 2 2 326.444 2.246 20 10 EECDLP Oc1ccc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001141160084 1315051233 /nfs/dbraw/zinc/05/12/33/1315051233.db2.gz PVGVNFFMMKTXQP-HOTGVXAUSA-N 2 2 325.412 2.057 20 10 EECDLP [NH3+]C[C@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC12CCOCC2 ZINC000843125360 1315849375 /nfs/dbraw/zinc/84/93/75/1315849375.db2.gz TXFQAPVKOOLOQB-NSHDSACASA-N 2 2 328.815 2.372 20 10 EECDLP [NH3+]C[C@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC12CCOCC2 ZINC000843125360 1315849379 /nfs/dbraw/zinc/84/93/79/1315849379.db2.gz TXFQAPVKOOLOQB-NSHDSACASA-N 2 2 328.815 2.372 20 10 EECDLP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(O)cc1Br ZINC001250133371 1317217533 /nfs/dbraw/zinc/21/75/33/1317217533.db2.gz LIJXETOMOLHHFS-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(O)cc1Br ZINC001250133371 1317217536 /nfs/dbraw/zinc/21/75/36/1317217536.db2.gz LIJXETOMOLHHFS-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)cc1Br ZINC001250133371 1317217539 /nfs/dbraw/zinc/21/75/39/1317217539.db2.gz LIJXETOMOLHHFS-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(O)cc1Br ZINC001250133371 1317217545 /nfs/dbraw/zinc/21/75/45/1317217545.db2.gz LIJXETOMOLHHFS-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(I)c2O)CC1 ZINC001205124442 1322292126 /nfs/dbraw/zinc/29/21/26/1322292126.db2.gz RNHZSWZJQAZFTM-LLVKDONJSA-N 2 2 346.212 2.310 20 10 EECDLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(I)c2O)CC1 ZINC001205124442 1322292132 /nfs/dbraw/zinc/29/21/32/1322292132.db2.gz RNHZSWZJQAZFTM-LLVKDONJSA-N 2 2 346.212 2.310 20 10 EECDLP C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H](n2cncn2)C1 ZINC001327839629 1334353183 /nfs/dbraw/zinc/35/31/83/1334353183.db2.gz JOVQQEAAKUXBLH-FCLVOEFKSA-N 2 2 342.491 2.363 20 10 EECDLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)ccc1O ZINC000717428979 1369669648 /nfs/dbraw/zinc/66/96/48/1369669648.db2.gz WYGZQRGVIXDJDZ-AAEUAGOBSA-N 2 2 331.254 2.118 20 10 EECDLP CCOC(=O)[C@@H](C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000787442895 807121348 /nfs/dbraw/zinc/12/13/48/807121348.db2.gz XNYPDNGROPEKBX-MRXNPFEDSA-N 2 2 345.487 2.354 20 10 EECDLP CCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000787442895 807121350 /nfs/dbraw/zinc/12/13/50/807121350.db2.gz XNYPDNGROPEKBX-MRXNPFEDSA-N 2 2 345.487 2.354 20 10 EECDLP CC[C@@H](COC)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000162833150 463542120 /nfs/dbraw/zinc/54/21/20/463542120.db2.gz WHMCNPHKOAORSD-KRWDZBQOSA-N 2 2 335.492 2.222 20 10 EECDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774145301 577385741 /nfs/dbraw/zinc/38/57/41/577385741.db2.gz XCFVBQWKRIZQJD-JTQLQIEISA-N 2 2 346.258 2.124 20 10 EECDLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3c(O)cccc3F)(C1)CCC2 ZINC001276354301 1213898715 /nfs/dbraw/zinc/89/87/15/1213898715.db2.gz PWEXVPVQUQNUIA-MOPGFXCFSA-N 2 2 349.450 2.144 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235114840 1305118943 /nfs/dbraw/zinc/11/89/43/1305118943.db2.gz GOMGOEWMPHJYNJ-HXUWFJFHSA-N 3 2 328.504 2.156 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235114840 1305118951 /nfs/dbraw/zinc/11/89/51/1305118951.db2.gz GOMGOEWMPHJYNJ-HXUWFJFHSA-N 3 2 328.504 2.156 20 10 EECDLP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1O ZINC000799724815 1305392682 /nfs/dbraw/zinc/39/26/82/1305392682.db2.gz AKXWPAQQTBUNDZ-LBPRGKRZSA-N 2 2 327.419 2.347 20 10 EECDLP COc1cc(C[N@@H+]2CCc3cnccc3C2)cc(C[NH+](C)C)c1O ZINC001139253596 1314721879 /nfs/dbraw/zinc/72/18/79/1314721879.db2.gz ZVLFGTPEMDNCTH-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP COc1cc(C[N@H+]2CCc3cnccc3C2)cc(C[NH+](C)C)c1O ZINC001139253596 1314721883 /nfs/dbraw/zinc/72/18/83/1314721883.db2.gz ZVLFGTPEMDNCTH-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140062878 1314806717 /nfs/dbraw/zinc/80/67/17/1314806717.db2.gz HGCRJQPGTDQFQZ-IRXDYDNUSA-N 2 2 327.403 2.490 20 10 EECDLP COc1ccc(N2CC[NH+]([C@@H]3CCC[N@H+](C)CC3)CC2)c(OC)c1 ZINC001254531245 1318110010 /nfs/dbraw/zinc/11/00/10/1318110010.db2.gz JFQLWTYKRZJVAV-MRXNPFEDSA-N 2 2 333.476 2.310 20 10 EECDLP COc1ccc(N2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)c(OC)c1 ZINC001254531245 1318110017 /nfs/dbraw/zinc/11/00/17/1318110017.db2.gz JFQLWTYKRZJVAV-MRXNPFEDSA-N 2 2 333.476 2.310 20 10 EECDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001276496925 1323608915 /nfs/dbraw/zinc/60/89/15/1323608915.db2.gz CXDBPLDGPXXDDP-OKILXGFUSA-N 2 2 343.393 2.231 20 10 EECDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(C(F)(F)F)c1O ZINC001276496925 1323608928 /nfs/dbraw/zinc/60/89/28/1323608928.db2.gz CXDBPLDGPXXDDP-OKILXGFUSA-N 2 2 343.393 2.231 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC000817901236 785054812 /nfs/dbraw/zinc/05/48/12/785054812.db2.gz ADNRDVOUEGAPFZ-JWTNVVGKSA-N 3 2 346.494 2.340 20 10 EECDLP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268887999 463796234 /nfs/dbraw/zinc/79/62/34/463796234.db2.gz IZBZVDVSDJQQGU-CRAIPNDOSA-N 2 2 332.492 2.133 20 10 EECDLP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268887999 463796239 /nfs/dbraw/zinc/79/62/39/463796239.db2.gz IZBZVDVSDJQQGU-CRAIPNDOSA-N 2 2 332.492 2.133 20 10 EECDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000276914268 463805547 /nfs/dbraw/zinc/80/55/47/463805547.db2.gz LHXDXOGLTDHLGO-CHWSQXEVSA-N 2 2 327.419 2.347 20 10 EECDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278936359 464008968 /nfs/dbraw/zinc/00/89/68/464008968.db2.gz JQHSWPXZVYBZAT-OLZOCXBDSA-N 2 2 329.400 2.289 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273601767 464722022 /nfs/dbraw/zinc/72/20/22/464722022.db2.gz SBUYLJBXMFTERG-NVXWUHKLSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273601767 464722026 /nfs/dbraw/zinc/72/20/26/464722026.db2.gz SBUYLJBXMFTERG-NVXWUHKLSA-N 2 2 333.476 2.294 20 10 EECDLP O=[N+]([O-])c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1N1CCCCC1 ZINC000770395102 577595336 /nfs/dbraw/zinc/59/53/36/577595336.db2.gz OUKGSIPSKUYFRO-HZPDHXFCSA-N 2 2 330.432 2.236 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cn1cccn1 ZINC000873012604 1198474458 /nfs/dbraw/zinc/47/44/58/1198474458.db2.gz KKRXFBQCYQUSJD-HNNXBMFYSA-N 2 2 325.416 2.315 20 10 EECDLP Nc1ccc(N(C(=O)[C@@H]([NH3+])CC[NH3+])c2ccc3ccccc3c2N)cc1 ZINC001219474484 1298033452 /nfs/dbraw/zinc/03/34/52/1298033452.db2.gz WMAKGNOUJUSBGG-KRWDZBQOSA-N 2 2 349.438 2.345 20 10 EECDLP CCOC(=O)c1c(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001236068302 1305489853 /nfs/dbraw/zinc/48/98/53/1305489853.db2.gz XQLRMGKNYJQOSZ-AWEZNQCLSA-N 2 2 329.444 2.396 20 10 EECDLP CCOC(=O)c1c(C[N@H+]2CC[C@@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001236068302 1305489866 /nfs/dbraw/zinc/48/98/66/1305489866.db2.gz XQLRMGKNYJQOSZ-AWEZNQCLSA-N 2 2 329.444 2.396 20 10 EECDLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206189952 1323420522 /nfs/dbraw/zinc/42/05/22/1323420522.db2.gz YSEBYAYMMFQFHZ-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(Br)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206189952 1323420526 /nfs/dbraw/zinc/42/05/26/1323420526.db2.gz YSEBYAYMMFQFHZ-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP CCn1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001327395049 1334284012 /nfs/dbraw/zinc/28/40/12/1334284012.db2.gz PZFCYHDOLLPISU-UHFFFAOYSA-N 2 2 331.439 2.084 20 10 EECDLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766502 790520180 /nfs/dbraw/zinc/52/01/80/790520180.db2.gz SSIKCINAPWUXKS-HXUWFJFHSA-N 2 2 349.519 2.048 20 10 EECDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766502 790520187 /nfs/dbraw/zinc/52/01/87/790520187.db2.gz SSIKCINAPWUXKS-HXUWFJFHSA-N 2 2 349.519 2.048 20 10 EECDLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766502 790520202 /nfs/dbraw/zinc/52/02/02/790520202.db2.gz SSIKCINAPWUXKS-HXUWFJFHSA-N 2 2 349.519 2.048 20 10 EECDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766502 790520209 /nfs/dbraw/zinc/52/02/09/790520209.db2.gz SSIKCINAPWUXKS-HXUWFJFHSA-N 2 2 349.519 2.048 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412149 /nfs/dbraw/zinc/41/21/49/464412149.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412159 /nfs/dbraw/zinc/41/21/59/464412159.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412167 /nfs/dbraw/zinc/41/21/67/464412167.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000293559333 464412174 /nfs/dbraw/zinc/41/21/74/464412174.db2.gz FXRYRVNJPJPEFR-KRWDZBQOSA-N 2 2 335.404 2.227 20 10 EECDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C1 ZINC000365235540 466753059 /nfs/dbraw/zinc/75/30/59/466753059.db2.gz XAXAQFHPSGVBRP-CYBMUJFWSA-N 2 2 341.858 2.397 20 10 EECDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)C1 ZINC000365235540 466753063 /nfs/dbraw/zinc/75/30/63/466753063.db2.gz XAXAQFHPSGVBRP-CYBMUJFWSA-N 2 2 341.858 2.397 20 10 EECDLP CCCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OC ZINC000775980966 577450116 /nfs/dbraw/zinc/45/01/16/577450116.db2.gz XSRUBINWSWHALZ-GOSISDBHSA-N 2 2 333.476 2.260 20 10 EECDLP COC(=O)c1c(C[NH2+]CCCn2cc[nH+]c2)c2cc(F)ccc2n1C ZINC000894146548 681749252 /nfs/dbraw/zinc/74/92/52/681749252.db2.gz YKDGNCMHZIUJAF-UHFFFAOYSA-N 2 2 344.390 2.480 20 10 EECDLP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)cc1C ZINC001133663297 1201172282 /nfs/dbraw/zinc/17/22/82/1201172282.db2.gz COZFRNVANCTIOH-OAHLLOKOSA-N 2 2 342.443 2.053 20 10 EECDLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000815580689 1278145069 /nfs/dbraw/zinc/14/50/69/1278145069.db2.gz OWEGRMSPTXCVGF-ZWKOTPCHSA-N 2 2 347.503 2.066 20 10 EECDLP Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001218954654 1297881782 /nfs/dbraw/zinc/88/17/82/1297881782.db2.gz DWWNLSQFWWATEX-GOSISDBHSA-N 2 2 335.411 2.095 20 10 EECDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(C)c3O)C2)C1 ZINC001231591585 1303859495 /nfs/dbraw/zinc/85/94/95/1303859495.db2.gz HCKPJKFLQJSFPL-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccc(C)c3O)C2)C1 ZINC001231591585 1303859496 /nfs/dbraw/zinc/85/94/96/1303859496.db2.gz HCKPJKFLQJSFPL-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccc(C)c3O)C2)C1 ZINC001231591585 1303859497 /nfs/dbraw/zinc/85/94/97/1303859497.db2.gz HCKPJKFLQJSFPL-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccc(C)c3O)C2)C1 ZINC001231591585 1303859499 /nfs/dbraw/zinc/85/94/99/1303859499.db2.gz HCKPJKFLQJSFPL-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCCOc1ccc(N2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236157426 1305516245 /nfs/dbraw/zinc/51/62/45/1305516245.db2.gz HLTKLJVCNDFEKZ-SFHVURJKSA-N 2 2 347.503 2.366 20 10 EECDLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(I)c2O)CC1 ZINC001205124443 1322291702 /nfs/dbraw/zinc/29/17/02/1322291702.db2.gz RNHZSWZJQAZFTM-NSHDSACASA-N 2 2 346.212 2.310 20 10 EECDLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(I)c2O)CC1 ZINC001205124443 1322291708 /nfs/dbraw/zinc/29/17/08/1322291708.db2.gz RNHZSWZJQAZFTM-NSHDSACASA-N 2 2 346.212 2.310 20 10 EECDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001319696152 1332744700 /nfs/dbraw/zinc/74/47/00/1332744700.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC001319696152 1332744701 /nfs/dbraw/zinc/74/47/01/1332744701.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001319696152 1332744702 /nfs/dbraw/zinc/74/47/02/1332744702.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001319696152 1332744704 /nfs/dbraw/zinc/74/47/04/1332744704.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 3 2 348.510 2.351 20 10 EECDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001327797041 1334347611 /nfs/dbraw/zinc/34/76/11/1334347611.db2.gz KOIPMYBUBKAKBT-UHFFFAOYSA-N 2 2 325.460 2.343 20 10 EECDLP Cc1c(O)ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001140744974 1372661693 /nfs/dbraw/zinc/66/16/93/1372661693.db2.gz RLRUXSGDWJQDMI-HDICACEKSA-N 2 2 339.439 2.365 20 10 EECDLP Cc1c(O)ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001140744974 1372661697 /nfs/dbraw/zinc/66/16/97/1372661697.db2.gz RLRUXSGDWJQDMI-HDICACEKSA-N 2 2 339.439 2.365 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001140744974 1372661705 /nfs/dbraw/zinc/66/17/05/1372661705.db2.gz RLRUXSGDWJQDMI-HDICACEKSA-N 2 2 339.439 2.365 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001140744974 1372661708 /nfs/dbraw/zinc/66/17/08/1372661708.db2.gz RLRUXSGDWJQDMI-HDICACEKSA-N 2 2 339.439 2.365 20 10 EECDLP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(F)c1O ZINC000187702120 464152597 /nfs/dbraw/zinc/15/25/97/464152597.db2.gz NGDZQVPIVGKOBN-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(F)c1O ZINC000187702120 464152602 /nfs/dbraw/zinc/15/26/02/464152602.db2.gz NGDZQVPIVGKOBN-ZDUSSCGKSA-N 2 2 327.419 2.349 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)C3CCCC3)CC2)cc1 ZINC000753998760 577798258 /nfs/dbraw/zinc/79/82/58/577798258.db2.gz KVEQPEDQBUEZHM-IBGZPJMESA-N 2 2 347.503 2.053 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CCCC3)CC2)cc1 ZINC000753998760 577798259 /nfs/dbraw/zinc/79/82/59/577798259.db2.gz KVEQPEDQBUEZHM-IBGZPJMESA-N 2 2 347.503 2.053 20 10 EECDLP CC(C)C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000876506941 1199649840 /nfs/dbraw/zinc/64/98/40/1199649840.db2.gz RGEKCSQLQFCADI-ZWKOTPCHSA-N 2 2 343.475 2.353 20 10 EECDLP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883091084 1202010293 /nfs/dbraw/zinc/01/02/93/1202010293.db2.gz CWELMYWVMNNWAU-UHFFFAOYSA-N 2 2 327.419 2.176 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001139132594 1314709256 /nfs/dbraw/zinc/70/92/56/1314709256.db2.gz XPPPIRMRGCILSR-UHFFFAOYSA-N 2 2 328.412 2.335 20 10 EECDLP Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140053909 1314806231 /nfs/dbraw/zinc/80/62/31/1314806231.db2.gz FAHFVGRKDSCANL-IYBDPMFKSA-N 2 2 327.403 2.490 20 10 EECDLP Oc1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140053909 1314806233 /nfs/dbraw/zinc/80/62/33/1314806233.db2.gz FAHFVGRKDSCANL-IYBDPMFKSA-N 2 2 327.403 2.490 20 10 EECDLP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140053909 1314806238 /nfs/dbraw/zinc/80/62/38/1314806238.db2.gz FAHFVGRKDSCANL-IYBDPMFKSA-N 2 2 327.403 2.490 20 10 EECDLP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001140053909 1314806242 /nfs/dbraw/zinc/80/62/42/1314806242.db2.gz FAHFVGRKDSCANL-IYBDPMFKSA-N 2 2 327.403 2.490 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747125 1315607887 /nfs/dbraw/zinc/60/78/87/1315607887.db2.gz OCLTZNQCIMBGHH-QWHCGFSZSA-N 2 2 339.867 2.284 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747125 1315607890 /nfs/dbraw/zinc/60/78/90/1315607890.db2.gz OCLTZNQCIMBGHH-QWHCGFSZSA-N 2 2 339.867 2.284 20 10 EECDLP [NH3+]C[C@@H]1C[N@H+](Cc2c(O)ccc(Cl)c2F)CC12CCOCC2 ZINC000843125359 1315849033 /nfs/dbraw/zinc/84/90/33/1315849033.db2.gz TXFQAPVKOOLOQB-LLVKDONJSA-N 2 2 328.815 2.372 20 10 EECDLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(O)ccc(Cl)c2F)CC12CCOCC2 ZINC000843125359 1315849036 /nfs/dbraw/zinc/84/90/36/1315849036.db2.gz TXFQAPVKOOLOQB-LLVKDONJSA-N 2 2 328.815 2.372 20 10 EECDLP Fc1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1N1CCOCC1 ZINC000843129721 1315850161 /nfs/dbraw/zinc/85/01/61/1315850161.db2.gz YSIYQTDGBXPRED-SFHVURJKSA-N 2 2 333.451 2.427 20 10 EECDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321147047 1333031279 /nfs/dbraw/zinc/03/12/79/1333031279.db2.gz AFCWLUAKGORCBR-GOSISDBHSA-N 3 2 348.510 2.494 20 10 EECDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321147047 1333031281 /nfs/dbraw/zinc/03/12/81/1333031281.db2.gz AFCWLUAKGORCBR-GOSISDBHSA-N 3 2 348.510 2.494 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)n[nH]3)cc2F)CC1 ZINC001327213306 1334247092 /nfs/dbraw/zinc/24/70/92/1334247092.db2.gz RRRGAFFYMZYAEL-UHFFFAOYSA-N 2 2 331.439 2.289 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817890765 785024531 /nfs/dbraw/zinc/02/45/31/785024531.db2.gz YMPINXSORMYQPJ-SZVBFZGTSA-N 2 2 344.503 2.009 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1C ZINC001146773354 791475432 /nfs/dbraw/zinc/47/54/32/791475432.db2.gz XJWSTTLHWHYXNU-CVEARBPZSA-N 2 2 344.459 2.273 20 10 EECDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278330295 463962792 /nfs/dbraw/zinc/96/27/92/463962792.db2.gz ZDQCTSLSOGLRFQ-CYBMUJFWSA-N 2 2 337.420 2.473 20 10 EECDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278330295 463962801 /nfs/dbraw/zinc/96/28/01/463962801.db2.gz ZDQCTSLSOGLRFQ-CYBMUJFWSA-N 2 2 337.420 2.473 20 10 EECDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000184698875 465020043 /nfs/dbraw/zinc/02/00/43/465020043.db2.gz CKLQKMWSDVLVII-CYBMUJFWSA-N 2 2 340.851 2.208 20 10 EECDLP COc1cc(Cl)cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000184698875 465020044 /nfs/dbraw/zinc/02/00/44/465020044.db2.gz CKLQKMWSDVLVII-CYBMUJFWSA-N 2 2 340.851 2.208 20 10 EECDLP CCC(C)(C)[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754070150 577799658 /nfs/dbraw/zinc/79/96/58/577799658.db2.gz WTPCLJASSSCQIZ-SFHVURJKSA-N 2 2 349.519 2.299 20 10 EECDLP CCC(C)(C)[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754070150 577799659 /nfs/dbraw/zinc/79/96/59/577799659.db2.gz WTPCLJASSSCQIZ-SFHVURJKSA-N 2 2 349.519 2.299 20 10 EECDLP CN1CC[NH+](CC2CC[NH+](Cc3cc(F)cc(F)c3O)CC2)CC1 ZINC000894767472 683081454 /nfs/dbraw/zinc/08/14/54/683081454.db2.gz ZYWNYVIMMSBBEM-UHFFFAOYSA-N 2 2 339.430 2.130 20 10 EECDLP CCN(CC)c1ccc(C[N@H+](CCOC)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236333724 1305561854 /nfs/dbraw/zinc/56/18/54/1305561854.db2.gz XRDZEQVVZIPHFI-GOSISDBHSA-N 2 2 335.492 2.439 20 10 EECDLP CCN(CC)c1ccc(C[N@@H+](CCOC)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236333724 1305561859 /nfs/dbraw/zinc/56/18/59/1305561859.db2.gz XRDZEQVVZIPHFI-GOSISDBHSA-N 2 2 335.492 2.439 20 10 EECDLP CC(C)[C@H]1COCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938846 1305739363 /nfs/dbraw/zinc/73/93/63/1305739363.db2.gz OJVQTPWZDCAKJU-LJQANCHMSA-N 2 2 335.467 2.434 20 10 EECDLP CC(C)[C@H]1COCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938846 1305739373 /nfs/dbraw/zinc/73/93/73/1305739373.db2.gz OJVQTPWZDCAKJU-LJQANCHMSA-N 2 2 335.467 2.434 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001167979091 781350556 /nfs/dbraw/zinc/35/05/56/781350556.db2.gz PWKMYYPAVAYRTQ-OAHLLOKOSA-N 2 2 344.459 2.201 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001167979091 781350559 /nfs/dbraw/zinc/35/05/59/781350559.db2.gz PWKMYYPAVAYRTQ-OAHLLOKOSA-N 2 2 344.459 2.201 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817890761 785024169 /nfs/dbraw/zinc/02/41/69/785024169.db2.gz YMPINXSORMYQPJ-HHXXYDBFSA-N 2 2 344.503 2.009 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@H](C)O[C@@H]3C)CC2)cc1 ZINC000823602629 787828413 /nfs/dbraw/zinc/82/84/13/787828413.db2.gz PLLQYBFKSQZQIB-SQGPQFPESA-N 2 2 347.503 2.363 20 10 EECDLP C[NH+]1CCC([N@H+](CCO)Cc2cc(Br)ccc2O)CC1 ZINC000269360246 463964167 /nfs/dbraw/zinc/96/41/67/463964167.db2.gz OQPPITIZPKCXSS-UHFFFAOYSA-N 2 2 343.265 2.043 20 10 EECDLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(Br)ccc2O)CC1 ZINC000269360246 463964174 /nfs/dbraw/zinc/96/41/74/463964174.db2.gz OQPPITIZPKCXSS-UHFFFAOYSA-N 2 2 343.265 2.043 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000775821979 577446675 /nfs/dbraw/zinc/44/66/75/577446675.db2.gz KOEPMQBLKHBHRG-GOSISDBHSA-N 2 2 347.503 2.224 20 10 EECDLP Oc1cc2c(cc1C[NH+]1CCC([NH+]3CCCCC3)CC1)[C@@H](O)CO2 ZINC000768440580 577555615 /nfs/dbraw/zinc/55/56/15/577555615.db2.gz QSEAREVKIMIDFU-SFHVURJKSA-N 2 2 332.444 2.268 20 10 EECDLP O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1N1CCCCC1 ZINC000770395101 577595344 /nfs/dbraw/zinc/59/53/44/577595344.db2.gz OUKGSIPSKUYFRO-HOTGVXAUSA-N 2 2 330.432 2.236 20 10 EECDLP CC[N@H+](CC(C)C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754009663 577798560 /nfs/dbraw/zinc/79/85/60/577798560.db2.gz JVGAIKVPQNKGHR-LJQANCHMSA-N 2 2 349.519 2.156 20 10 EECDLP CC[N@@H+](CC(C)C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754009663 577798561 /nfs/dbraw/zinc/79/85/61/577798561.db2.gz JVGAIKVPQNKGHR-LJQANCHMSA-N 2 2 349.519 2.156 20 10 EECDLP CC[C@H](C)C[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044358 577799180 /nfs/dbraw/zinc/79/91/80/577799180.db2.gz YVFFQXVMGDDUOO-HKUYNNGSSA-N 2 2 349.519 2.156 20 10 EECDLP CC[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044358 577799181 /nfs/dbraw/zinc/79/91/81/577799181.db2.gz YVFFQXVMGDDUOO-HKUYNNGSSA-N 2 2 349.519 2.156 20 10 EECDLP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(F)cc(F)c1O ZINC000756394201 577843281 /nfs/dbraw/zinc/84/32/81/577843281.db2.gz CMBLRIQDUOXQBK-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1O ZINC000756574619 577847133 /nfs/dbraw/zinc/84/71/33/577847133.db2.gz DIMRDPBEMODYLV-OCCSQVGLSA-N 2 2 339.430 2.490 20 10 EECDLP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1O ZINC000756574617 577847147 /nfs/dbraw/zinc/84/71/47/577847147.db2.gz DIMRDPBEMODYLV-JSGCOSHPSA-N 2 2 339.430 2.490 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)cc1C ZINC000987070740 689307946 /nfs/dbraw/zinc/30/79/46/689307946.db2.gz SKFGQTWOTNVNSI-YOEHRIQHSA-N 2 2 342.443 2.048 20 10 EECDLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000812748343 1200897172 /nfs/dbraw/zinc/89/71/72/1200897172.db2.gz NJYWXVDJQJOSGT-UHFFFAOYSA-N 2 2 332.444 2.129 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C)c[nH]3)cc2F)CC1 ZINC000850127190 1277048349 /nfs/dbraw/zinc/04/83/49/1277048349.db2.gz UROSVDIJOUVORN-UHFFFAOYSA-N 2 2 331.439 2.289 20 10 EECDLP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc(F)c(F)c3O)CC2)CC1 ZINC001233079101 1304354459 /nfs/dbraw/zinc/35/44/59/1304354459.db2.gz VVKZSRVCUSDLEB-UHFFFAOYSA-N 2 2 339.430 2.130 20 10 EECDLP CC(C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468464 1305584787 /nfs/dbraw/zinc/58/47/87/1305584787.db2.gz NSRDSRFGQARESA-HXUWFJFHSA-N 3 2 330.520 2.401 20 10 EECDLP CC(C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468464 1305584793 /nfs/dbraw/zinc/58/47/93/1305584793.db2.gz NSRDSRFGQARESA-HXUWFJFHSA-N 3 2 330.520 2.401 20 10 EECDLP COc1ccc(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)cc1F ZINC000846815009 790639672 /nfs/dbraw/zinc/63/96/72/790639672.db2.gz WLYBPXNTRMWCBA-UHFFFAOYSA-N 2 2 332.423 2.323 20 10 EECDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1O ZINC000817982093 785131875 /nfs/dbraw/zinc/13/18/75/785131875.db2.gz PLHGZGNRSBSEHT-MWLCHTKSSA-N 2 2 347.228 2.323 20 10 EECDLP COCCC[N@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000166769122 463657590 /nfs/dbraw/zinc/65/75/90/463657590.db2.gz DJZIKJGJDRWNDM-UHFFFAOYSA-N 2 2 335.492 2.222 20 10 EECDLP COCCC[N@@H+](C)CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000166769122 463657592 /nfs/dbraw/zinc/65/75/92/463657592.db2.gz DJZIKJGJDRWNDM-UHFFFAOYSA-N 2 2 335.492 2.222 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CO)o3)cc2F)CC1 ZINC000174368028 464399807 /nfs/dbraw/zinc/39/98/07/464399807.db2.gz RCAAFTLKIGHTSC-UHFFFAOYSA-N 2 2 347.434 2.343 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000732283379 577165942 /nfs/dbraw/zinc/16/59/42/577165942.db2.gz XKCCDARITBHITH-GOSISDBHSA-N 2 2 331.460 2.265 20 10 EECDLP COc1ccc([NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000732283379 577165944 /nfs/dbraw/zinc/16/59/44/577165944.db2.gz XKCCDARITBHITH-GOSISDBHSA-N 2 2 331.460 2.265 20 10 EECDLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1n1cc[nH+]c1 ZINC000768463633 577556397 /nfs/dbraw/zinc/55/63/97/577556397.db2.gz KRWCBFHRWJEYED-VMGRFDJRSA-N 2 2 329.400 2.098 20 10 EECDLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1n1cc[nH+]c1 ZINC000768463633 577556398 /nfs/dbraw/zinc/55/63/98/577556398.db2.gz KRWCBFHRWJEYED-VMGRFDJRSA-N 2 2 329.400 2.098 20 10 EECDLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790395 577707797 /nfs/dbraw/zinc/70/77/97/577707797.db2.gz ZDNIQBDKVFYIFQ-LKFCYVNXSA-N 2 2 347.228 2.011 20 10 EECDLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790395 577707798 /nfs/dbraw/zinc/70/77/98/577707798.db2.gz ZDNIQBDKVFYIFQ-LKFCYVNXSA-N 2 2 347.228 2.011 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)cc1C ZINC000989613791 692087223 /nfs/dbraw/zinc/08/72/23/692087223.db2.gz WEEIDNWCVIEKJC-ZBFHGGJFSA-N 2 2 342.443 2.048 20 10 EECDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178394 1199328331 /nfs/dbraw/zinc/32/83/31/1199328331.db2.gz OFABEWCPBVMAGE-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178394 1199328335 /nfs/dbraw/zinc/32/83/35/1199328335.db2.gz OFABEWCPBVMAGE-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178394 1199328340 /nfs/dbraw/zinc/32/83/40/1199328340.db2.gz OFABEWCPBVMAGE-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C2)C1 ZINC000814178394 1199328344 /nfs/dbraw/zinc/32/83/44/1199328344.db2.gz OFABEWCPBVMAGE-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP Cc1cccc(O)c1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000876926855 1199820777 /nfs/dbraw/zinc/82/07/77/1199820777.db2.gz IKGCWBZWYHUURJ-GOSISDBHSA-N 2 2 326.440 2.209 20 10 EECDLP Cc1cccc(O)c1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000876926855 1199820779 /nfs/dbraw/zinc/82/07/79/1199820779.db2.gz IKGCWBZWYHUURJ-GOSISDBHSA-N 2 2 326.440 2.209 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000925775843 1206152985 /nfs/dbraw/zinc/15/29/85/1206152985.db2.gz BECQFVGKOROYLO-BEFAXECRSA-N 2 2 344.503 2.009 20 10 EECDLP CC[NH+]1CCN(c2ccc(O[C@@H]3C[NH2+]CC(F)(F)C3)cc2)CC1 ZINC001218277665 1297619675 /nfs/dbraw/zinc/61/96/75/1297619675.db2.gz IMGJMYMYPVFSPF-INIZCTEOSA-N 2 2 325.403 2.205 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237393066 1305916930 /nfs/dbraw/zinc/91/69/30/1305916930.db2.gz QWVIBFJNQOUGRF-XJKSGUPXSA-N 2 2 328.412 2.381 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237393066 1305916933 /nfs/dbraw/zinc/91/69/33/1305916933.db2.gz QWVIBFJNQOUGRF-XJKSGUPXSA-N 2 2 328.412 2.381 20 10 EECDLP Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001204273324 1322099796 /nfs/dbraw/zinc/09/97/96/1322099796.db2.gz OEQLFOFFFJMIID-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001204273324 1322099799 /nfs/dbraw/zinc/09/97/99/1322099799.db2.gz OEQLFOFFFJMIID-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001204273324 1322099807 /nfs/dbraw/zinc/09/98/07/1322099807.db2.gz OEQLFOFFFJMIID-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001204273324 1322099816 /nfs/dbraw/zinc/09/98/16/1322099816.db2.gz OEQLFOFFFJMIID-IYBDPMFKSA-N 2 2 325.412 2.057 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204584 1331572395 /nfs/dbraw/zinc/57/23/95/1331572395.db2.gz ACRRMGMCQRUGOM-WOJBJXKFSA-N 3 2 328.504 2.155 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204584 1331572396 /nfs/dbraw/zinc/57/23/96/1331572396.db2.gz ACRRMGMCQRUGOM-WOJBJXKFSA-N 3 2 328.504 2.155 20 10 EECDLP COC(=O)c1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC001325269395 1333856055 /nfs/dbraw/zinc/85/60/55/1333856055.db2.gz XTFZYMQQSJHEEC-SFHVURJKSA-N 2 2 327.428 2.329 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccn(C)n1 ZINC001344567745 1337401016 /nfs/dbraw/zinc/40/10/16/1337401016.db2.gz KYXIHSGJVYFLSK-CQSZACIVSA-N 2 2 331.439 2.162 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC001345104173 1337425883 /nfs/dbraw/zinc/42/58/83/1337425883.db2.gz KMSRLSKNKKCDJX-GOSISDBHSA-N 3 2 334.483 2.055 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC001345104173 1337425887 /nfs/dbraw/zinc/42/58/87/1337425887.db2.gz KMSRLSKNKKCDJX-GOSISDBHSA-N 2 2 334.483 2.055 20 10 EECDLP CC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001604056020 1350842205 /nfs/dbraw/zinc/84/22/05/1350842205.db2.gz QGZDQARGVSEFEX-MRXNPFEDSA-N 2 2 344.463 2.345 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(F)cc(F)c1O ZINC000894095091 780528972 /nfs/dbraw/zinc/52/89/72/780528972.db2.gz PQSAIZKFPQESAZ-FVQBIDKESA-N 2 2 326.387 2.354 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(F)cc(F)c1O ZINC000894095091 780528978 /nfs/dbraw/zinc/52/89/78/780528978.db2.gz PQSAIZKFPQESAZ-FVQBIDKESA-N 2 2 326.387 2.354 20 10 EECDLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)cc1C ZINC000997042530 788551173 /nfs/dbraw/zinc/55/11/73/788551173.db2.gz QNHFRWZCPQOHKE-UHFFFAOYSA-N 2 2 342.443 2.050 20 10 EECDLP COc1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)cc1Br ZINC001206197257 797317032 /nfs/dbraw/zinc/31/70/32/797317032.db2.gz HNHHQBOWXLTBMK-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c(O)cc1Br ZINC001206197257 797317037 /nfs/dbraw/zinc/31/70/37/797317037.db2.gz HNHHQBOWXLTBMK-NEPJUHHUSA-N 2 2 347.228 2.425 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013318 /nfs/dbraw/zinc/01/33/18/464013318.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013322 /nfs/dbraw/zinc/01/33/22/464013322.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013330 /nfs/dbraw/zinc/01/33/30/464013330.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 2 2 335.404 2.225 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561311 464720201 /nfs/dbraw/zinc/72/02/01/464720201.db2.gz ICJMJSABPRZCFT-XJKSGUPXSA-N 2 2 337.439 2.125 20 10 EECDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664594 1314925223 /nfs/dbraw/zinc/92/52/23/1314925223.db2.gz MXHRGBSTNGUDGY-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664594 1314925225 /nfs/dbraw/zinc/92/52/25/1314925225.db2.gz MXHRGBSTNGUDGY-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664594 1314925229 /nfs/dbraw/zinc/92/52/29/1314925229.db2.gz MXHRGBSTNGUDGY-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664594 1314925230 /nfs/dbraw/zinc/92/52/30/1314925230.db2.gz MXHRGBSTNGUDGY-LJQANCHMSA-N 2 2 333.451 2.190 20 10 EECDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627444 1321926788 /nfs/dbraw/zinc/92/67/88/1321926788.db2.gz DVVLLQLAYKPQSK-QGZVFWFLSA-N 2 2 334.460 2.476 20 10 EECDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627444 1321926791 /nfs/dbraw/zinc/92/67/91/1321926791.db2.gz DVVLLQLAYKPQSK-QGZVFWFLSA-N 2 2 334.460 2.476 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2)CC1 ZINC001206351800 1323466900 /nfs/dbraw/zinc/46/69/00/1323466900.db2.gz INDQBKZVUZJVON-LJQANCHMSA-N 3 2 334.483 2.091 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2)CC1 ZINC001206351800 1323466906 /nfs/dbraw/zinc/46/69/06/1323466906.db2.gz INDQBKZVUZJVON-LJQANCHMSA-N 3 2 334.483 2.091 20 10 EECDLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001276537736 1324000686 /nfs/dbraw/zinc/00/06/86/1324000686.db2.gz MUEWPIYGBWNBBB-UHFFFAOYSA-N 2 2 335.467 2.381 20 10 EECDLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1O)CC2 ZINC001276537736 1324000695 /nfs/dbraw/zinc/00/06/95/1324000695.db2.gz MUEWPIYGBWNBBB-UHFFFAOYSA-N 2 2 335.467 2.381 20 10 EECDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723870 1332582974 /nfs/dbraw/zinc/58/29/74/1332582974.db2.gz FKAUPDXRZVGROR-RDJZCZTQSA-N 3 2 334.483 2.150 20 10 EECDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723870 1332582976 /nfs/dbraw/zinc/58/29/76/1332582976.db2.gz FKAUPDXRZVGROR-RDJZCZTQSA-N 3 2 334.483 2.150 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(F)cc(F)c1O ZINC000894095092 780528838 /nfs/dbraw/zinc/52/88/38/780528838.db2.gz PQSAIZKFPQESAZ-KBMXLJTQSA-N 2 2 326.387 2.354 20 10 EECDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(F)cc(F)c1O ZINC000894095092 780528843 /nfs/dbraw/zinc/52/88/43/780528843.db2.gz PQSAIZKFPQESAZ-KBMXLJTQSA-N 2 2 326.387 2.354 20 10 EECDLP CC[C@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000160397495 463335146 /nfs/dbraw/zinc/33/51/46/463335146.db2.gz INUSAPWQMICBSC-IBGZPJMESA-N 2 2 346.519 2.346 20 10 EECDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Br)ccc1O ZINC000273417186 464715757 /nfs/dbraw/zinc/71/57/57/464715757.db2.gz RCYXXUNLQYPZAI-WCQYABFASA-N 2 2 343.265 2.262 20 10 EECDLP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]c(C)n3)CC2)cc1 ZINC000266089583 464764343 /nfs/dbraw/zinc/76/43/43/464764343.db2.gz DFDJGYRKEPYPLC-UHFFFAOYSA-N 2 2 341.459 2.418 20 10 EECDLP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)Cn1cc[nH+]c1 ZINC000771818921 577232645 /nfs/dbraw/zinc/23/26/45/577232645.db2.gz NSQOYXIZAFWYHJ-QGZVFWFLSA-N 3 2 327.476 2.061 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1C ZINC000968534415 1221384355 /nfs/dbraw/zinc/38/43/55/1221384355.db2.gz FVXDLFUREUHGRC-MRXNPFEDSA-N 2 2 342.443 2.050 20 10 EECDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c4ccccc4n(C)c3C(=O)OC)C[C@@H]2C1 ZINC001232410858 1304112146 /nfs/dbraw/zinc/11/21/46/1304112146.db2.gz UDUPKOLLLVNGDC-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c4ccccc4n(C)c3C(=O)OC)C[C@@H]2C1 ZINC001232410858 1304112152 /nfs/dbraw/zinc/11/21/52/1304112152.db2.gz UDUPKOLLLVNGDC-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c4ccccc4n(C)c3C(=O)OC)C[C@@H]2C1 ZINC001232410858 1304112155 /nfs/dbraw/zinc/11/21/55/1304112155.db2.gz UDUPKOLLLVNGDC-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c4ccccc4n(C)c3C(=O)OC)C[C@@H]2C1 ZINC001232410858 1304112159 /nfs/dbraw/zinc/11/21/59/1304112159.db2.gz UDUPKOLLLVNGDC-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208598 1305535605 /nfs/dbraw/zinc/53/56/05/1305535605.db2.gz SUWPQTJKGHINNT-FQEVSTJZSA-N 3 2 330.520 2.402 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208598 1305535615 /nfs/dbraw/zinc/53/56/15/1305535615.db2.gz SUWPQTJKGHINNT-FQEVSTJZSA-N 3 2 330.520 2.402 20 10 EECDLP CC(C)C[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001236476602 1305585599 /nfs/dbraw/zinc/58/55/99/1305585599.db2.gz ZJYAQVGXOUJJDS-QGZVFWFLSA-N 3 2 333.476 2.084 20 10 EECDLP CC(C)C[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001236476602 1305585606 /nfs/dbraw/zinc/58/56/06/1305585606.db2.gz ZJYAQVGXOUJJDS-QGZVFWFLSA-N 3 2 333.476 2.084 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000841039380 1315460880 /nfs/dbraw/zinc/46/08/80/1315460880.db2.gz MVHLMEASVMDNIY-FQEVSTJZSA-N 3 2 330.520 2.436 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CN)C3CCCCC3)cc2)CC1 ZINC000841039380 1315460883 /nfs/dbraw/zinc/46/08/83/1315460883.db2.gz MVHLMEASVMDNIY-FQEVSTJZSA-N 2 2 330.520 2.436 20 10 EECDLP COc1cccc(C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000841045583 1315462111 /nfs/dbraw/zinc/46/21/11/1315462111.db2.gz NDKXINDJPYPKAX-KDOFPFPSSA-N 2 2 328.460 2.377 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001755237936 1407246788 /nfs/dbraw/zinc/24/67/88/1407246788.db2.gz QVGJHHQCPTVJPA-CABCVRRESA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001755237936 1407246795 /nfs/dbraw/zinc/24/67/95/1407246795.db2.gz QVGJHHQCPTVJPA-CABCVRRESA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817903365 785056737 /nfs/dbraw/zinc/05/67/37/785056737.db2.gz OLBXCACUGCFGQZ-PMACEKPBSA-N 2 2 345.487 2.021 20 10 EECDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391525 786724446 /nfs/dbraw/zinc/72/44/46/786724446.db2.gz NMCIPCYLPUFDQJ-ROUUACIJSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391525 786724448 /nfs/dbraw/zinc/72/44/48/786724448.db2.gz NMCIPCYLPUFDQJ-ROUUACIJSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391525 786724449 /nfs/dbraw/zinc/72/44/49/786724449.db2.gz NMCIPCYLPUFDQJ-ROUUACIJSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391525 786724454 /nfs/dbraw/zinc/72/44/54/786724454.db2.gz NMCIPCYLPUFDQJ-ROUUACIJSA-N 2 2 336.476 2.074 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000273621924 464723052 /nfs/dbraw/zinc/72/30/52/464723052.db2.gz ZKLHRVIZJIBPJG-NVXWUHKLSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000273621924 464723058 /nfs/dbraw/zinc/72/30/58/464723058.db2.gz ZKLHRVIZJIBPJG-NVXWUHKLSA-N 2 2 333.476 2.294 20 10 EECDLP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1O ZINC000282407089 464807094 /nfs/dbraw/zinc/80/70/94/464807094.db2.gz SAAKADRAGOETCJ-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1O ZINC000282407089 464807100 /nfs/dbraw/zinc/80/71/00/464807100.db2.gz SAAKADRAGOETCJ-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093665024 528662790 /nfs/dbraw/zinc/66/27/90/528662790.db2.gz KEEXLWVPYGBPTK-INIZCTEOSA-N 2 2 334.460 2.335 20 10 EECDLP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(O)c1 ZINC000093665024 528662796 /nfs/dbraw/zinc/66/27/96/528662796.db2.gz KEEXLWVPYGBPTK-INIZCTEOSA-N 2 2 334.460 2.335 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000775712623 577443494 /nfs/dbraw/zinc/44/34/94/577443494.db2.gz AHOZGNYYUYBCLN-MRXNPFEDSA-N 2 2 343.393 2.202 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000775712623 577443495 /nfs/dbraw/zinc/44/34/95/577443495.db2.gz AHOZGNYYUYBCLN-MRXNPFEDSA-N 2 2 343.393 2.202 20 10 EECDLP C[C@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC000891246900 676240833 /nfs/dbraw/zinc/24/08/33/676240833.db2.gz QROOZGIBFNNBMA-QAPCUYQASA-N 2 2 343.475 2.319 20 10 EECDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843121943 1315848115 /nfs/dbraw/zinc/84/81/15/1315848115.db2.gz MCHQBPHQLJPISW-NSHDSACASA-N 2 2 343.830 2.004 20 10 EECDLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843121943 1315848116 /nfs/dbraw/zinc/84/81/16/1315848116.db2.gz MCHQBPHQLJPISW-NSHDSACASA-N 2 2 343.830 2.004 20 10 EECDLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274003 1322100342 /nfs/dbraw/zinc/10/03/42/1322100342.db2.gz YDLYZBVHLRVZEL-IBGZPJMESA-N 2 2 334.460 2.421 20 10 EECDLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274003 1322100343 /nfs/dbraw/zinc/10/03/43/1322100343.db2.gz YDLYZBVHLRVZEL-IBGZPJMESA-N 2 2 334.460 2.421 20 10 EECDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274003 1322100349 /nfs/dbraw/zinc/10/03/49/1322100349.db2.gz YDLYZBVHLRVZEL-IBGZPJMESA-N 2 2 334.460 2.421 20 10 EECDLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204274003 1322100353 /nfs/dbraw/zinc/10/03/53/1322100353.db2.gz YDLYZBVHLRVZEL-IBGZPJMESA-N 2 2 334.460 2.421 20 10 EECDLP C[C@H]1C[N@H+](Cc2ccc(I)cc2O)C[C@H]1C[NH3+] ZINC001205146402 1322297362 /nfs/dbraw/zinc/29/73/62/1322297362.db2.gz UOXYCQXYNDKMGK-GXSJLCMTSA-N 2 2 346.212 2.023 20 10 EECDLP C[C@H]1C[N@@H+](Cc2ccc(I)cc2O)C[C@H]1C[NH3+] ZINC001205146402 1322297366 /nfs/dbraw/zinc/29/73/66/1322297366.db2.gz UOXYCQXYNDKMGK-GXSJLCMTSA-N 2 2 346.212 2.023 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)cc2F)CC1 ZINC001324747363 1333751232 /nfs/dbraw/zinc/75/12/32/1333751232.db2.gz VRVNEMRDLRQDJM-LJQANCHMSA-N 2 2 333.451 2.188 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cc2F)CC1 ZINC001324747363 1333751233 /nfs/dbraw/zinc/75/12/33/1333751233.db2.gz VRVNEMRDLRQDJM-LJQANCHMSA-N 2 2 333.451 2.188 20 10 EECDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221830 1334046072 /nfs/dbraw/zinc/04/60/72/1334046072.db2.gz KENPOFIMTAFQQV-RDJZCZTQSA-N 3 2 334.483 2.137 20 10 EECDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221830 1334046074 /nfs/dbraw/zinc/04/60/74/1334046074.db2.gz KENPOFIMTAFQQV-RDJZCZTQSA-N 3 2 334.483 2.137 20 10 EECDLP C[C@@H](CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)[NH+]1CCCCC1 ZINC001589960870 1349081231 /nfs/dbraw/zinc/08/12/31/1349081231.db2.gz HUCNRDKXSGNXSM-KBPBESRZSA-N 2 2 344.463 2.487 20 10 EECDLP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1cccc(-c2nn[nH]n2)c1O ZINC001590464416 1349340524 /nfs/dbraw/zinc/34/05/24/1349340524.db2.gz CPIYMLHLWNFXIA-HNNXBMFYSA-N 2 2 332.452 2.345 20 10 EECDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055978 1350842246 /nfs/dbraw/zinc/84/22/46/1350842246.db2.gz SBFIGMDYYRHAKS-ZENOOKHLSA-N 2 2 342.447 2.240 20 10 EECDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055978 1350842248 /nfs/dbraw/zinc/84/22/48/1350842248.db2.gz SBFIGMDYYRHAKS-ZENOOKHLSA-N 2 2 342.447 2.240 20 10 EECDLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cc(Br)ccc1O ZINC000717428984 1369669586 /nfs/dbraw/zinc/66/95/86/1369669586.db2.gz WYGZQRGVIXDJDZ-YPMHNXCESA-N 2 2 331.254 2.118 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@H](C)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000817902993 785056071 /nfs/dbraw/zinc/05/60/71/785056071.db2.gz DEMLZBRJAJUWEK-WBVHZDCISA-N 2 2 333.476 2.021 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000192454547 237314751 /nfs/dbraw/zinc/31/47/51/237314751.db2.gz CQIUVQXJQPVATE-FXAWDEMLSA-N 2 2 347.503 2.222 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000775821980 577446712 /nfs/dbraw/zinc/44/67/12/577446712.db2.gz KOEPMQBLKHBHRG-SFHVURJKSA-N 2 2 347.503 2.224 20 10 EECDLP CCC(C)(C)[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754070148 577799651 /nfs/dbraw/zinc/79/96/51/577799651.db2.gz WTPCLJASSSCQIZ-GOSISDBHSA-N 2 2 349.519 2.299 20 10 EECDLP CCC(C)(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754070148 577799652 /nfs/dbraw/zinc/79/96/52/577799652.db2.gz WTPCLJASSSCQIZ-GOSISDBHSA-N 2 2 349.519 2.299 20 10 EECDLP Nc1ccc(N(Cc2ccccc2)C(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001218954599 1297881150 /nfs/dbraw/zinc/88/11/50/1297881150.db2.gz CFJVGTUPTRALTP-UHFFFAOYSA-N 2 2 338.455 2.144 20 10 EECDLP CC[NH+]1C[C@H]2C[NH+](Cc3c4ccccc4n(C)c3C(=O)OC)C[C@@H]2C1 ZINC001232410859 1304112389 /nfs/dbraw/zinc/11/23/89/1304112389.db2.gz UDUPKOLLLVNGDC-GJZGRUSLSA-N 2 2 341.455 2.348 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237393064 1305916327 /nfs/dbraw/zinc/91/63/27/1305916327.db2.gz QWVIBFJNQOUGRF-CZUORRHYSA-N 2 2 328.412 2.381 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237393064 1305916330 /nfs/dbraw/zinc/91/63/30/1305916330.db2.gz QWVIBFJNQOUGRF-CZUORRHYSA-N 2 2 328.412 2.381 20 10 EECDLP CCOC(=O)C1CCC([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC000841045724 1315462149 /nfs/dbraw/zinc/46/21/49/1315462149.db2.gz OXUBMXBWFZEVBU-LEOMRAHMSA-N 2 2 333.476 2.464 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727246 1317494301 /nfs/dbraw/zinc/49/43/01/1317494301.db2.gz QEKVVQDOSPNONO-QZTJIDSGSA-N 3 2 346.494 2.294 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727246 1317494304 /nfs/dbraw/zinc/49/43/04/1317494304.db2.gz QEKVVQDOSPNONO-QZTJIDSGSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727246 1317494306 /nfs/dbraw/zinc/49/43/06/1317494306.db2.gz QEKVVQDOSPNONO-QZTJIDSGSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727246 1317494309 /nfs/dbraw/zinc/49/43/09/1317494309.db2.gz QEKVVQDOSPNONO-QZTJIDSGSA-N 2 2 346.494 2.294 20 10 EECDLP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878184 1321981391 /nfs/dbraw/zinc/98/13/91/1321981391.db2.gz QPRARMJXZWKKKO-YLJYHZDGSA-N 2 2 346.471 2.278 20 10 EECDLP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878184 1321981395 /nfs/dbraw/zinc/98/13/95/1321981395.db2.gz QPRARMJXZWKKKO-YLJYHZDGSA-N 2 2 346.471 2.278 20 10 EECDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878184 1321981397 /nfs/dbraw/zinc/98/13/97/1321981397.db2.gz QPRARMJXZWKKKO-YLJYHZDGSA-N 2 2 346.471 2.278 20 10 EECDLP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878184 1321981400 /nfs/dbraw/zinc/98/14/00/1321981400.db2.gz QPRARMJXZWKKKO-YLJYHZDGSA-N 2 2 346.471 2.278 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2)CC1 ZINC001205832028 1323313405 /nfs/dbraw/zinc/31/34/05/1323313405.db2.gz YZBJRFCNNCBBNQ-FXAWDEMLSA-N 3 2 330.520 2.388 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)CC[C@@H]3C[NH3+])cc2)CC1 ZINC001205832028 1323313412 /nfs/dbraw/zinc/31/34/12/1323313412.db2.gz YZBJRFCNNCBBNQ-FXAWDEMLSA-N 3 2 330.520 2.388 20 10 EECDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130017 1372464135 /nfs/dbraw/zinc/46/41/35/1372464135.db2.gz NREDZHGESLMADI-OKILXGFUSA-N 2 2 328.412 2.191 20 10 EECDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130017 1372464141 /nfs/dbraw/zinc/46/41/41/1372464141.db2.gz NREDZHGESLMADI-OKILXGFUSA-N 2 2 328.412 2.191 20 10 EECDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130017 1372464143 /nfs/dbraw/zinc/46/41/43/1372464143.db2.gz NREDZHGESLMADI-OKILXGFUSA-N 2 2 328.412 2.191 20 10 EECDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130017 1372464147 /nfs/dbraw/zinc/46/41/47/1372464147.db2.gz NREDZHGESLMADI-OKILXGFUSA-N 2 2 328.412 2.191 20 10 EECDLP CN1CC[NH+](CCCC[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000790950329 809001467 /nfs/dbraw/zinc/00/14/67/809001467.db2.gz VWUDEUJHVSKADX-UHFFFAOYSA-N 2 2 329.847 2.302 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120291 /nfs/dbraw/zinc/12/02/91/464120291.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120297 /nfs/dbraw/zinc/12/02/97/464120297.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120303 /nfs/dbraw/zinc/12/03/03/464120303.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120309 /nfs/dbraw/zinc/12/03/09/464120309.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 2 2 335.404 2.225 20 10 EECDLP CC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030158 577798852 /nfs/dbraw/zinc/79/88/52/577798852.db2.gz LOSRLMPNOCLFEM-IEBWSBKVSA-N 2 2 347.503 2.053 20 10 EECDLP CC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030158 577798853 /nfs/dbraw/zinc/79/88/53/577798853.db2.gz LOSRLMPNOCLFEM-IEBWSBKVSA-N 2 2 347.503 2.053 20 10 EECDLP CC[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044360 577799225 /nfs/dbraw/zinc/79/92/25/577799225.db2.gz YVFFQXVMGDDUOO-MJGOQNOKSA-N 2 2 349.519 2.156 20 10 EECDLP CC[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754044360 577799226 /nfs/dbraw/zinc/79/92/26/577799226.db2.gz YVFFQXVMGDDUOO-MJGOQNOKSA-N 2 2 349.519 2.156 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncnn3C(C)(C)C)cc2)CC1 ZINC000800293274 1234018183 /nfs/dbraw/zinc/01/81/83/1234018183.db2.gz AFYIEDRPLAWFOQ-UHFFFAOYSA-N 2 2 342.491 2.075 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+](C)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208599 1305536132 /nfs/dbraw/zinc/53/61/32/1305536132.db2.gz SUWPQTJKGHINNT-HXUWFJFHSA-N 3 2 330.520 2.402 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208599 1305536141 /nfs/dbraw/zinc/53/61/41/1305536141.db2.gz SUWPQTJKGHINNT-HXUWFJFHSA-N 3 2 330.520 2.402 20 10 EECDLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206640307 1316491491 /nfs/dbraw/zinc/49/14/91/1316491491.db2.gz IOPXMAUTUAPVKZ-JTQLQIEISA-N 2 2 329.238 2.421 20 10 EECDLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cc(O)c(Br)cc2O)C1 ZINC001206640307 1316491495 /nfs/dbraw/zinc/49/14/95/1316491495.db2.gz IOPXMAUTUAPVKZ-JTQLQIEISA-N 2 2 329.238 2.421 20 10 EECDLP CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001161135498 1320397899 /nfs/dbraw/zinc/39/78/99/1320397899.db2.gz WYZJFYUKOMWRPI-IBGZPJMESA-N 2 2 340.471 2.373 20 10 EECDLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c(O)c1 ZINC001204272734 1322098972 /nfs/dbraw/zinc/09/89/72/1322098972.db2.gz HVQFSROAOAPPOM-IAGOWNOFSA-N 2 2 325.412 2.057 20 10 EECDLP C[C@H]1CCCN(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001308200735 1331572510 /nfs/dbraw/zinc/57/25/10/1331572510.db2.gz RRAGJASWKBJACY-KRWDZBQOSA-N 2 2 348.510 2.399 20 10 EECDLP C[C@H]1CCC[N@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001308200735 1331572513 /nfs/dbraw/zinc/57/25/13/1331572513.db2.gz RRAGJASWKBJACY-KRWDZBQOSA-N 2 2 348.510 2.399 20 10 EECDLP C[C@H]1CCC[N@@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001308200735 1331572515 /nfs/dbraw/zinc/57/25/15/1331572515.db2.gz RRAGJASWKBJACY-KRWDZBQOSA-N 2 2 348.510 2.399 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC001345104174 1337425811 /nfs/dbraw/zinc/42/58/11/1337425811.db2.gz KMSRLSKNKKCDJX-SFHVURJKSA-N 3 2 334.483 2.055 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC001345104174 1337425814 /nfs/dbraw/zinc/42/58/14/1337425814.db2.gz KMSRLSKNKKCDJX-SFHVURJKSA-N 2 2 334.483 2.055 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206163535 796938402 /nfs/dbraw/zinc/93/84/02/796938402.db2.gz DGWXXJFXBWRLKZ-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206163535 796938397 /nfs/dbraw/zinc/93/83/97/796938397.db2.gz DGWXXJFXBWRLKZ-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000194184186 463810656 /nfs/dbraw/zinc/81/06/56/463810656.db2.gz LJORRDHPJQBLNC-FQEVSTJZSA-N 2 2 345.487 2.490 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000273622691 464722825 /nfs/dbraw/zinc/72/28/25/464722825.db2.gz ZKLHRVIZJIBPJG-WBVHZDCISA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000273622691 464722830 /nfs/dbraw/zinc/72/28/30/464722830.db2.gz ZKLHRVIZJIBPJG-WBVHZDCISA-N 2 2 333.476 2.294 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1C ZINC001000565322 1240522954 /nfs/dbraw/zinc/52/29/54/1240522954.db2.gz QREHTUUUBWREIH-INIZCTEOSA-N 2 2 342.443 2.050 20 10 EECDLP COCC[NH+]1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858108388 1294008508 /nfs/dbraw/zinc/00/85/08/1294008508.db2.gz FFBAJUMKKWBAQL-UHFFFAOYSA-N 2 2 343.265 2.355 20 10 EECDLP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCCC1=O ZINC001236933041 1305735695 /nfs/dbraw/zinc/73/56/95/1305735695.db2.gz SXKGOQWGIJFDCN-OAHLLOKOSA-N 2 2 333.451 2.379 20 10 EECDLP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCCC1=O ZINC001236933041 1305735702 /nfs/dbraw/zinc/73/57/02/1305735702.db2.gz SXKGOQWGIJFDCN-OAHLLOKOSA-N 2 2 333.451 2.379 20 10 EECDLP COC(=O)c1cccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC001325269393 1333856269 /nfs/dbraw/zinc/85/62/69/1333856269.db2.gz XTFZYMQQSJHEEC-GOSISDBHSA-N 2 2 327.428 2.329 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(CC(F)F)CC2)cc1 ZINC001327838018 1334353360 /nfs/dbraw/zinc/35/33/60/1334353360.db2.gz COWPVCFIZSXEHP-INIZCTEOSA-N 2 2 326.435 2.072 20 10 EECDLP CC[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817934866 785079642 /nfs/dbraw/zinc/07/96/42/785079642.db2.gz KLQXHVFNFFTMCP-IRXDYDNUSA-N 2 2 339.430 2.422 20 10 EECDLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220564 788910935 /nfs/dbraw/zinc/91/09/35/788910935.db2.gz ICSQTJRONYGNEL-GOSISDBHSA-N 2 2 334.508 2.016 20 10 EECDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220564 788910942 /nfs/dbraw/zinc/91/09/42/788910942.db2.gz ICSQTJRONYGNEL-GOSISDBHSA-N 2 2 334.508 2.016 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012439 /nfs/dbraw/zinc/01/24/39/464012439.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012446 /nfs/dbraw/zinc/01/24/46/464012446.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012449 /nfs/dbraw/zinc/01/24/49/464012449.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120649 /nfs/dbraw/zinc/12/06/49/464120649.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120652 /nfs/dbraw/zinc/12/06/52/464120652.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120655 /nfs/dbraw/zinc/12/06/55/464120655.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120659 /nfs/dbraw/zinc/12/06/59/464120659.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 2 2 335.404 2.225 20 10 EECDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787954 577707697 /nfs/dbraw/zinc/70/76/97/577707697.db2.gz OUJOGOJNTDNGBU-XPTSAGLGSA-N 2 2 347.228 2.011 20 10 EECDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787954 577707698 /nfs/dbraw/zinc/70/76/98/577707698.db2.gz OUJOGOJNTDNGBU-XPTSAGLGSA-N 2 2 347.228 2.011 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210642 1198531985 /nfs/dbraw/zinc/53/19/85/1198531985.db2.gz MUCMRYDPZNZOFA-KRWDZBQOSA-N 3 2 330.501 2.249 20 10 EECDLP COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc(O)c1O ZINC001204351079 1322124481 /nfs/dbraw/zinc/12/44/81/1322124481.db2.gz MRNXLWHNPJJQGF-UHFFFAOYSA-N 2 2 329.400 2.132 20 10 EECDLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(I)cc2O)CC1 ZINC001205117727 1322289183 /nfs/dbraw/zinc/28/91/83/1322289183.db2.gz TUSBEQIBGARIFA-GFCCVEGCSA-N 2 2 346.212 2.310 20 10 EECDLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(I)cc2O)CC1 ZINC001205117727 1322289191 /nfs/dbraw/zinc/28/91/91/1322289191.db2.gz TUSBEQIBGARIFA-GFCCVEGCSA-N 2 2 346.212 2.310 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cc2F)CC1 ZINC001326520184 1334108603 /nfs/dbraw/zinc/10/86/03/1334108603.db2.gz YBZWFMLMPKCIIB-QGZVFWFLSA-N 3 2 334.483 2.281 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cc2F)CC1 ZINC001326520184 1334108607 /nfs/dbraw/zinc/10/86/07/1334108607.db2.gz YBZWFMLMPKCIIB-QGZVFWFLSA-N 3 2 334.483 2.281 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000809700842 783291788 /nfs/dbraw/zinc/29/17/88/783291788.db2.gz PFHHYIKSGMZOKX-WVCKHHOPSA-N 2 2 349.544 2.170 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[S@@]1=O ZINC000809700842 783291795 /nfs/dbraw/zinc/29/17/95/783291795.db2.gz PFHHYIKSGMZOKX-WVCKHHOPSA-N 2 2 349.544 2.170 20 10 EECDLP C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1c[nH+]ccc1N ZINC000817935327 785079550 /nfs/dbraw/zinc/07/95/50/785079550.db2.gz MZABEBPSTFSKTJ-GFCCVEGCSA-N 2 2 348.397 2.460 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561308 464720410 /nfs/dbraw/zinc/72/04/10/464720410.db2.gz ICJMJSABPRZCFT-BBRMVZONSA-N 2 2 337.439 2.125 20 10 EECDLP COc1ccc(N2CC[NH+](CCNc3cc[nH+]c(C)n3)CC2)cc1 ZINC000266349940 464771703 /nfs/dbraw/zinc/77/17/03/464771703.db2.gz JHVCLWJXRKJDII-UHFFFAOYSA-N 2 2 327.432 2.028 20 10 EECDLP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000894374932 682698855 /nfs/dbraw/zinc/69/88/55/682698855.db2.gz HDFWBOFPNUBRPZ-UHFFFAOYSA-N 2 2 329.847 2.302 20 10 EECDLP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000894374932 682698857 /nfs/dbraw/zinc/69/88/57/682698857.db2.gz HDFWBOFPNUBRPZ-UHFFFAOYSA-N 2 2 329.847 2.302 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H](OC)C3CC3)CC2)cc1 ZINC000876899908 1199812291 /nfs/dbraw/zinc/81/22/91/1199812291.db2.gz AITNRWIRUBLSFD-FQEVSTJZSA-N 2 2 347.503 2.222 20 10 EECDLP Cc1ccc(O)c(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1 ZINC001275311885 1205305942 /nfs/dbraw/zinc/30/59/42/1205305942.db2.gz SJDGIYROJBTMKZ-FUHWJXTLSA-N 2 2 326.444 2.103 20 10 EECDLP Cc1ccc(O)c(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c1 ZINC001275311885 1205305945 /nfs/dbraw/zinc/30/59/45/1205305945.db2.gz SJDGIYROJBTMKZ-FUHWJXTLSA-N 2 2 326.444 2.103 20 10 EECDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCOCC2)cc1F ZINC001275318625 1205307550 /nfs/dbraw/zinc/30/75/50/1205307550.db2.gz AHWQQWWPYLSDDV-ZNXRZULTSA-N 2 2 333.451 2.377 20 10 EECDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1F ZINC001275318625 1205307551 /nfs/dbraw/zinc/30/75/51/1205307551.db2.gz AHWQQWWPYLSDDV-ZNXRZULTSA-N 2 2 333.451 2.377 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)c(F)c2)CC1 ZINC001236943455 1305741571 /nfs/dbraw/zinc/74/15/71/1305741571.db2.gz RUPJRQAHVOCMDR-IBGZPJMESA-N 2 2 333.451 2.188 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C3CC3)c(F)c2)CC1 ZINC001236943455 1305741575 /nfs/dbraw/zinc/74/15/75/1305741575.db2.gz RUPJRQAHVOCMDR-IBGZPJMESA-N 2 2 333.451 2.188 20 10 EECDLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1O ZINC001139325359 1314731864 /nfs/dbraw/zinc/73/18/64/1314731864.db2.gz LMJYZTBCYNQEAW-UHFFFAOYSA-N 2 2 332.473 2.233 20 10 EECDLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)s1)Cc1ccccc1O ZINC001139325359 1314731867 /nfs/dbraw/zinc/73/18/67/1314731867.db2.gz LMJYZTBCYNQEAW-UHFFFAOYSA-N 2 2 332.473 2.233 20 10 EECDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000841098792 1315475067 /nfs/dbraw/zinc/47/50/67/1315475067.db2.gz IYUTXIBMQIYNGH-SFHVURJKSA-N 2 2 328.412 2.049 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000841101526 1315475829 /nfs/dbraw/zinc/47/58/29/1315475829.db2.gz WUBBFLIMWDXKKN-GFCCVEGCSA-N 2 2 329.238 2.013 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000841101526 1315475832 /nfs/dbraw/zinc/47/58/32/1315475832.db2.gz WUBBFLIMWDXKKN-GFCCVEGCSA-N 2 2 329.238 2.013 20 10 EECDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203678668 1321938876 /nfs/dbraw/zinc/93/88/76/1321938876.db2.gz QUEXHXMKXLYEEN-QGZVFWFLSA-N 2 2 334.460 2.476 20 10 EECDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203678668 1321938879 /nfs/dbraw/zinc/93/88/79/1321938879.db2.gz QUEXHXMKXLYEEN-QGZVFWFLSA-N 2 2 334.460 2.476 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621833 464723398 /nfs/dbraw/zinc/72/33/98/464723398.db2.gz ZIPHKSNLRNKUHZ-BXUZGUMPSA-N 2 2 325.840 2.036 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621833 464723400 /nfs/dbraw/zinc/72/34/00/464723400.db2.gz ZIPHKSNLRNKUHZ-BXUZGUMPSA-N 2 2 325.840 2.036 20 10 EECDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000765416954 577500681 /nfs/dbraw/zinc/50/06/81/577500681.db2.gz OUSCLCNGOYVTNN-QGZVFWFLSA-N 2 2 344.503 2.102 20 10 EECDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790400 577707781 /nfs/dbraw/zinc/70/77/81/577707781.db2.gz ZDNIQBDKVFYIFQ-YMTOWFKASA-N 2 2 347.228 2.011 20 10 EECDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790400 577707782 /nfs/dbraw/zinc/70/77/82/577707782.db2.gz ZDNIQBDKVFYIFQ-YMTOWFKASA-N 2 2 347.228 2.011 20 10 EECDLP CCOC(=O)c1c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccccc2n1C ZINC001233272826 1304412542 /nfs/dbraw/zinc/41/25/42/1304412542.db2.gz CJEBPJULHXKUIR-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CCOC(=O)c1c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c2ccccc2n1C ZINC001233272826 1304412544 /nfs/dbraw/zinc/41/25/44/1304412544.db2.gz CJEBPJULHXKUIR-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CCOC(=O)c1c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c2ccccc2n1C ZINC001233272826 1304412550 /nfs/dbraw/zinc/41/25/50/1304412550.db2.gz CJEBPJULHXKUIR-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CCOC(=O)c1c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c2ccccc2n1C ZINC001233272826 1304412552 /nfs/dbraw/zinc/41/25/52/1304412552.db2.gz CJEBPJULHXKUIR-GASCZTMLSA-N 2 2 341.455 2.348 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cc2)CC1 ZINC001140306263 1314862965 /nfs/dbraw/zinc/86/29/65/1314862965.db2.gz QZDFFJPASAZULE-TZIWHRDSSA-N 3 2 342.531 2.212 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cc2)CC1 ZINC001140306263 1314862969 /nfs/dbraw/zinc/86/29/69/1314862969.db2.gz QZDFFJPASAZULE-TZIWHRDSSA-N 3 2 342.531 2.212 20 10 EECDLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203596815 1321919875 /nfs/dbraw/zinc/91/98/75/1321919875.db2.gz NLHXSFMFRBBSAB-KRWDZBQOSA-N 2 2 334.460 2.476 20 10 EECDLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203596815 1321919876 /nfs/dbraw/zinc/91/98/76/1321919876.db2.gz NLHXSFMFRBBSAB-KRWDZBQOSA-N 2 2 334.460 2.476 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206201888 1323425199 /nfs/dbraw/zinc/42/51/99/1323425199.db2.gz ZPQYRQUDBRHHTD-STQMWFEESA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c(Br)c1 ZINC001206201888 1323425205 /nfs/dbraw/zinc/42/52/05/1323425205.db2.gz ZPQYRQUDBRHHTD-STQMWFEESA-N 2 2 347.228 2.425 20 10 EECDLP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604055643 1350841821 /nfs/dbraw/zinc/84/18/21/1350841821.db2.gz REGVYQXLSRGQKC-XEZPLFJOSA-N 2 2 344.463 2.486 20 10 EECDLP CN(C)c1cc(F)c(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1F ZINC001578423081 1403752858 /nfs/dbraw/zinc/75/28/58/1403752858.db2.gz PFYAFBYICHKHPK-UHFFFAOYSA-N 2 2 347.413 2.448 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001135552256 783971195 /nfs/dbraw/zinc/97/11/95/783971195.db2.gz COLIVEJCXHWNPA-GJZGRUSLSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+]CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1C ZINC001130165304 811241015 /nfs/dbraw/zinc/24/10/15/811241015.db2.gz YDMPCPMFZCMXBI-UHFFFAOYSA-N 2 2 344.459 2.150 20 10 EECDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264736531 464443018 /nfs/dbraw/zinc/44/30/18/464443018.db2.gz JBDKDSICZXJSGU-LJQANCHMSA-N 2 2 325.456 2.395 20 10 EECDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264736531 464443025 /nfs/dbraw/zinc/44/30/25/464443025.db2.gz JBDKDSICZXJSGU-LJQANCHMSA-N 2 2 325.456 2.395 20 10 EECDLP CC(C)N1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775637541 577441482 /nfs/dbraw/zinc/44/14/82/577441482.db2.gz QQTZAIPMIYHATA-UHFFFAOYSA-N 2 2 330.520 2.355 20 10 EECDLP CC(C)N1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775637541 577441483 /nfs/dbraw/zinc/44/14/83/577441483.db2.gz QQTZAIPMIYHATA-UHFFFAOYSA-N 2 2 330.520 2.355 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)c(OC)c1 ZINC000904384822 694383326 /nfs/dbraw/zinc/38/33/26/694383326.db2.gz ORXPVALHZIOQBD-IBGZPJMESA-N 2 2 333.476 2.216 20 10 EECDLP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001045253734 1233613859 /nfs/dbraw/zinc/61/38/59/1233613859.db2.gz RKVVTPRKIZECRI-INIZCTEOSA-N 2 2 342.443 2.050 20 10 EECDLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC001203657852 1321934154 /nfs/dbraw/zinc/93/41/54/1321934154.db2.gz OBIYFPRQASTESX-UHFFFAOYSA-N 2 2 328.840 2.362 20 10 EECDLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)ccc1O ZINC001203657852 1321934156 /nfs/dbraw/zinc/93/41/56/1321934156.db2.gz OBIYFPRQASTESX-UHFFFAOYSA-N 2 2 328.840 2.362 20 10 EECDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001236412137 1305574421 /nfs/dbraw/zinc/57/44/21/1305574421.db2.gz SAHWNWMIMSPCSK-INIZCTEOSA-N 2 2 333.476 2.358 20 10 EECDLP CCCN1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118422990 1306368311 /nfs/dbraw/zinc/36/83/11/1306368311.db2.gz AGAFASKIVJDURM-KRWDZBQOSA-N 2 2 334.483 2.151 20 10 EECDLP CCC[N@@H+]1CC[C@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118422990 1306368324 /nfs/dbraw/zinc/36/83/24/1306368324.db2.gz AGAFASKIVJDURM-KRWDZBQOSA-N 2 2 334.483 2.151 20 10 EECDLP CCC[N@H+]1CC[C@H](NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001118422990 1306368334 /nfs/dbraw/zinc/36/83/34/1306368334.db2.gz AGAFASKIVJDURM-KRWDZBQOSA-N 2 2 334.483 2.151 20 10 EECDLP Cc1cc(N2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)nc(C)[nH+]1 ZINC001140745370 1314954212 /nfs/dbraw/zinc/95/42/12/1314954212.db2.gz HHMRBDKJMXKQSH-UHFFFAOYSA-N 2 2 328.416 2.135 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000841041554 1315461494 /nfs/dbraw/zinc/46/14/94/1315461494.db2.gz DNFCSDQREQQUTF-GOSISDBHSA-N 2 2 336.443 2.327 20 10 EECDLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589956705 1349078576 /nfs/dbraw/zinc/07/85/76/1349078576.db2.gz QEJYXLPZNQZSLY-GFCCVEGCSA-N 2 2 344.463 2.486 20 10 EECDLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589960872 1349080279 /nfs/dbraw/zinc/08/02/79/1349080279.db2.gz HUCNRDKXSGNXSM-UONOGXRCSA-N 2 2 344.463 2.487 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(OC)ccc3O)CC2)c1 ZINC000180047285 774454435 /nfs/dbraw/zinc/45/44/35/774454435.db2.gz KTGYHXMWWSOGHN-UHFFFAOYSA-N 2 2 329.400 2.127 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817890760 785023865 /nfs/dbraw/zinc/02/38/65/785023865.db2.gz YMPINXSORMYQPJ-AYBZRNKSSA-N 2 2 344.503 2.009 20 10 EECDLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cn1 ZINC000817939703 785087100 /nfs/dbraw/zinc/08/71/00/785087100.db2.gz AWXNPKJNLBTABL-KBXCAEBGSA-N 2 2 328.460 2.377 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206200973 797476033 /nfs/dbraw/zinc/47/60/33/797476033.db2.gz UUAYXFFZAWDHDS-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206200973 797476035 /nfs/dbraw/zinc/47/60/35/797476035.db2.gz UUAYXFFZAWDHDS-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC000153223495 462626856 /nfs/dbraw/zinc/62/68/56/462626856.db2.gz QUKSJSOTWNZZIM-QGZVFWFLSA-N 2 2 347.503 2.222 20 10 EECDLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1O ZINC000273362552 464713175 /nfs/dbraw/zinc/71/31/75/464713175.db2.gz DFHXPIQPMKNNJD-WCQYABFASA-N 2 2 343.265 2.262 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273601765 464722070 /nfs/dbraw/zinc/72/20/70/464722070.db2.gz SBUYLJBXMFTERG-DOTOQJQBSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000273601765 464722075 /nfs/dbraw/zinc/72/20/75/464722075.db2.gz SBUYLJBXMFTERG-DOTOQJQBSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c(O)c1 ZINC000895552680 684640415 /nfs/dbraw/zinc/64/04/15/684640415.db2.gz PYHOBHSNAKCGJQ-UHFFFAOYSA-N 2 2 331.460 2.006 20 10 EECDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000883370452 1202054833 /nfs/dbraw/zinc/05/48/33/1202054833.db2.gz LNZXQWVYMXQRKW-ZWKOTPCHSA-N 2 2 347.503 2.148 20 10 EECDLP Cc1ccc(O)c(C[NH+]2CCC[C@@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311562 1205305507 /nfs/dbraw/zinc/30/55/07/1205305507.db2.gz DYXVHAHZAQKWGB-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(O)c(C[NH+]2CCC[C@@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311562 1205305509 /nfs/dbraw/zinc/30/55/09/1205305509.db2.gz DYXVHAHZAQKWGB-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(O)c(C[N@H+]2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311562 1205305510 /nfs/dbraw/zinc/30/55/10/1205305510.db2.gz DYXVHAHZAQKWGB-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c1 ZINC001275311562 1205305511 /nfs/dbraw/zinc/30/55/11/1205305511.db2.gz DYXVHAHZAQKWGB-HXUWFJFHSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1O ZINC001276079974 1205763528 /nfs/dbraw/zinc/76/35/28/1205763528.db2.gz IVJAEKIRIJMGGF-HDICACEKSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CCn2cc[nH+]c2)c1O ZINC001276079974 1205763529 /nfs/dbraw/zinc/76/35/29/1205763529.db2.gz IVJAEKIRIJMGGF-HDICACEKSA-N 2 2 326.444 2.246 20 10 EECDLP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001118808970 1308944935 /nfs/dbraw/zinc/94/49/35/1308944935.db2.gz ZRJHAIXKHWNWJF-ZNMIVQPWSA-N 2 2 331.460 2.178 20 10 EECDLP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC001118808970 1308944936 /nfs/dbraw/zinc/94/49/36/1308944936.db2.gz ZRJHAIXKHWNWJF-ZNMIVQPWSA-N 2 2 331.460 2.178 20 10 EECDLP Oc1c(F)cccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001138125283 1314549542 /nfs/dbraw/zinc/54/95/42/1314549542.db2.gz MZSGZXXWZUGTQW-UHFFFAOYSA-N 2 2 344.434 2.382 20 10 EECDLP Oc1c(F)cccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001138125283 1314549547 /nfs/dbraw/zinc/54/95/47/1314549547.db2.gz MZSGZXXWZUGTQW-UHFFFAOYSA-N 2 2 344.434 2.382 20 10 EECDLP CCC[N@H+](CC(=O)OCC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259391 1314722498 /nfs/dbraw/zinc/72/24/98/1314722498.db2.gz UOQARWPDBAPYDT-UHFFFAOYSA-N 2 2 338.448 2.238 20 10 EECDLP CCC[N@@H+](CC(=O)OCC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259391 1314722503 /nfs/dbraw/zinc/72/25/03/1314722503.db2.gz UOQARWPDBAPYDT-UHFFFAOYSA-N 2 2 338.448 2.238 20 10 EECDLP OC1CCN(c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC001140288252 1314854417 /nfs/dbraw/zinc/85/44/17/1314854417.db2.gz MABKANNREWNJHU-UHFFFAOYSA-N 2 2 329.488 2.318 20 10 EECDLP COc1ccc(N2CC[NH+](CCCNc3ccc(N)c[nH+]3)CC2)cc1 ZINC001156256830 1317939481 /nfs/dbraw/zinc/93/94/81/1317939481.db2.gz IYZBTRGXPBLBJZ-UHFFFAOYSA-N 2 2 341.459 2.297 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC001160333107 1320136247 /nfs/dbraw/zinc/13/62/47/1320136247.db2.gz VTPRUGNGHAKWBB-HZPDHXFCSA-N 2 2 342.443 2.126 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC001160333107 1320136250 /nfs/dbraw/zinc/13/62/50/1320136250.db2.gz VTPRUGNGHAKWBB-HZPDHXFCSA-N 2 2 342.443 2.126 20 10 EECDLP CCc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1O ZINC000848893014 1338795844 /nfs/dbraw/zinc/79/58/44/1338795844.db2.gz MZIXEOSLOHCKRT-HXUWFJFHSA-N 2 2 340.467 2.463 20 10 EECDLP CCc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1O ZINC000848893014 1338795845 /nfs/dbraw/zinc/79/58/45/1338795845.db2.gz MZIXEOSLOHCKRT-HXUWFJFHSA-N 2 2 340.467 2.463 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCC[NH2+]1 ZINC000817894149 785049743 /nfs/dbraw/zinc/04/97/43/785049743.db2.gz KFGNMWBQGOSLQR-KBXCAEBGSA-N 2 2 335.467 2.407 20 10 EECDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996575 785357237 /nfs/dbraw/zinc/35/72/37/785357237.db2.gz IRDZECKLANMDAG-IBGZPJMESA-N 2 2 326.440 2.204 20 10 EECDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996575 785357248 /nfs/dbraw/zinc/35/72/48/785357248.db2.gz IRDZECKLANMDAG-IBGZPJMESA-N 2 2 326.440 2.204 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1C ZINC001146773359 791475570 /nfs/dbraw/zinc/47/55/70/791475570.db2.gz XJWSTTLHWHYXNU-HZPDHXFCSA-N 2 2 344.459 2.273 20 10 EECDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790989401 809014863 /nfs/dbraw/zinc/01/48/63/809014863.db2.gz CRWCANSQWIZNAE-GFCCVEGCSA-N 2 2 329.847 2.300 20 10 EECDLP C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)Cn1cc[nH+]c1 ZINC000876985393 1199836821 /nfs/dbraw/zinc/83/68/21/1199836821.db2.gz ZHOGOWSXQVIXCC-MRXNPFEDSA-N 2 2 328.460 2.270 20 10 EECDLP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc(F)c(F)c1O ZINC000877522469 1199955548 /nfs/dbraw/zinc/95/55/48/1199955548.db2.gz AAPIRLOVPUWDHC-UHFFFAOYSA-N 2 2 329.435 2.376 20 10 EECDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000883049155 1202003396 /nfs/dbraw/zinc/00/33/96/1202003396.db2.gz FZVPBVHPQPKIJH-HZPDHXFCSA-N 2 2 326.387 2.138 20 10 EECDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001276838244 1299845706 /nfs/dbraw/zinc/84/57/06/1299845706.db2.gz ZAMGLNCRKHTVNZ-BETUJISGSA-N 2 2 341.858 2.395 20 10 EECDLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001276838244 1299845721 /nfs/dbraw/zinc/84/57/21/1299845721.db2.gz ZAMGLNCRKHTVNZ-BETUJISGSA-N 2 2 341.858 2.395 20 10 EECDLP COc1ccc(N2CC[NH+]([C@H]3CCC[N@H+](C)CC3)CC2)c(OC)c1 ZINC001254531244 1318108320 /nfs/dbraw/zinc/10/83/20/1318108320.db2.gz JFQLWTYKRZJVAV-INIZCTEOSA-N 2 2 333.476 2.310 20 10 EECDLP COc1ccc(N2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)c(OC)c1 ZINC001254531244 1318108330 /nfs/dbraw/zinc/10/83/30/1318108330.db2.gz JFQLWTYKRZJVAV-INIZCTEOSA-N 2 2 333.476 2.310 20 10 EECDLP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590469053 1349344683 /nfs/dbraw/zinc/34/46/83/1349344683.db2.gz XOHRDHAAIWNFIC-INIZCTEOSA-N 2 2 344.463 2.345 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965013 463828703 /nfs/dbraw/zinc/82/87/03/463828703.db2.gz YGGJFVIXNCLVBH-QZTJIDSGSA-N 2 2 332.492 2.133 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccc(N(C)C)cc1 ZINC000268965013 463828707 /nfs/dbraw/zinc/82/87/07/463828707.db2.gz YGGJFVIXNCLVBH-QZTJIDSGSA-N 2 2 332.492 2.133 20 10 EECDLP COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000184698900 465019771 /nfs/dbraw/zinc/01/97/71/465019771.db2.gz CKLQKMWSDVLVII-ZDUSSCGKSA-N 2 2 340.851 2.208 20 10 EECDLP COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1O ZINC000184698900 465019775 /nfs/dbraw/zinc/01/97/75/465019775.db2.gz CKLQKMWSDVLVII-ZDUSSCGKSA-N 2 2 340.851 2.208 20 10 EECDLP Cc1cc(C)c(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)c(O)c1 ZINC001276365024 1217003030 /nfs/dbraw/zinc/00/30/30/1217003030.db2.gz HRQXPGAAQZXWEX-UHFFFAOYSA-N 2 2 326.444 2.023 20 10 EECDLP C[C@@H](C[NH+]1CCCCC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850027789 1277000439 /nfs/dbraw/zinc/00/04/39/1277000439.db2.gz INJXQPDKZIJTLH-SFHVURJKSA-N 2 2 330.520 2.402 20 10 EECDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001276837950 1299856473 /nfs/dbraw/zinc/85/64/73/1299856473.db2.gz KBZSHMZWVSCZHE-GASCZTMLSA-N 2 2 343.393 2.231 20 10 EECDLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc(C(F)(F)F)ccc1O ZINC001276837950 1299856492 /nfs/dbraw/zinc/85/64/92/1299856492.db2.gz KBZSHMZWVSCZHE-GASCZTMLSA-N 2 2 343.393 2.231 20 10 EECDLP Cc1ncc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)cn1 ZINC001236942916 1305741407 /nfs/dbraw/zinc/74/14/07/1305741407.db2.gz OIXCSOIXGBKFLP-UHFFFAOYSA-N 2 2 343.450 2.308 20 10 EECDLP Cc1ncc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)cn1 ZINC001236942916 1305741417 /nfs/dbraw/zinc/74/14/17/1305741417.db2.gz OIXCSOIXGBKFLP-UHFFFAOYSA-N 2 2 343.450 2.308 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCc4c(ncn4C)C3)cc2)CC1 ZINC001140306000 1314863341 /nfs/dbraw/zinc/86/33/41/1314863341.db2.gz JYSHZSPGMZIQRA-UHFFFAOYSA-N 2 2 339.487 2.120 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4c(ncn4C)C3)cc2)CC1 ZINC001140306000 1314863348 /nfs/dbraw/zinc/86/33/48/1314863348.db2.gz JYSHZSPGMZIQRA-UHFFFAOYSA-N 2 2 339.487 2.120 20 10 EECDLP COc1cccc(C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)n1 ZINC000841045584 1315462034 /nfs/dbraw/zinc/46/20/34/1315462034.db2.gz NDKXINDJPYPKAX-KSSFIOAISA-N 2 2 328.460 2.377 20 10 EECDLP C[NH+]1CCN(C2C[NH+](Cc3ccc4c(c3O)C=CC(C)(C)O4)C2)CC1 ZINC001249258641 1317035675 /nfs/dbraw/zinc/03/56/75/1317035675.db2.gz LPQUAWJMYUPKDS-UHFFFAOYSA-N 2 2 343.471 2.008 20 10 EECDLP CC(C)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254314892 1318040654 /nfs/dbraw/zinc/04/06/54/1318040654.db2.gz YEYCCMFUQMUCNZ-LJQANCHMSA-N 2 2 335.467 2.434 20 10 EECDLP CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254314892 1318040660 /nfs/dbraw/zinc/04/06/60/1318040660.db2.gz YEYCCMFUQMUCNZ-LJQANCHMSA-N 2 2 335.467 2.434 20 10 EECDLP Oc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC3CCN(CC3)C2)CC1 ZINC001254842969 1318202575 /nfs/dbraw/zinc/20/25/75/1318202575.db2.gz CUANNDMOFZGVHQ-IBGZPJMESA-N 2 2 329.488 2.431 20 10 EECDLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001603294426 1350681596 /nfs/dbraw/zinc/68/15/96/1350681596.db2.gz BNQFVNCTRGFMGB-CYBMUJFWSA-N 2 2 344.463 2.343 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)cc1C ZINC001752634987 1406324101 /nfs/dbraw/zinc/32/41/01/1406324101.db2.gz SSBBILSOVREAEY-QAQDUYKDSA-N 2 2 342.443 2.096 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)cc1C ZINC001752634987 1406324115 /nfs/dbraw/zinc/32/41/15/1406324115.db2.gz SSBBILSOVREAEY-QAQDUYKDSA-N 2 2 342.443 2.096 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001135552255 783971979 /nfs/dbraw/zinc/97/19/79/783971979.db2.gz COLIVEJCXHWNPA-CABCVRRESA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)cc1C ZINC000999605367 794659066 /nfs/dbraw/zinc/65/90/66/794659066.db2.gz JQUIZXWGDZMIGL-UHFFFAOYSA-N 2 2 342.443 2.048 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000030903590 794728486 /nfs/dbraw/zinc/72/84/86/794728486.db2.gz UZMYOYWUXHJCCV-OAQYLSRUSA-N 2 2 339.483 2.261 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000030903590 794728494 /nfs/dbraw/zinc/72/84/94/794728494.db2.gz UZMYOYWUXHJCCV-OAQYLSRUSA-N 2 2 339.483 2.261 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2F)CC1 ZINC000297568363 465261615 /nfs/dbraw/zinc/26/16/15/465261615.db2.gz GNCWREQRAVADJF-QGZVFWFLSA-N 2 2 343.450 2.399 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2F)CC1 ZINC000297568362 465262617 /nfs/dbraw/zinc/26/26/17/465262617.db2.gz GNCWREQRAVADJF-KRWDZBQOSA-N 2 2 343.450 2.399 20 10 EECDLP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(F)cc(F)c1O ZINC000873294311 1198553568 /nfs/dbraw/zinc/55/35/68/1198553568.db2.gz UOTIPFYUJABFMU-WCQYABFASA-N 2 2 326.387 2.480 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000883370450 1202054618 /nfs/dbraw/zinc/05/46/18/1202054618.db2.gz LNZXQWVYMXQRKW-QZTJIDSGSA-N 2 2 347.503 2.148 20 10 EECDLP COC1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc2)CC1 ZINC000931276690 1297128655 /nfs/dbraw/zinc/12/86/55/1297128655.db2.gz BQAKDVVCOSYJPQ-PMOLBWCYSA-N 2 2 329.488 2.294 20 10 EECDLP COC1CCN(c2ccc(C[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc2)CC1 ZINC000931276690 1297128659 /nfs/dbraw/zinc/12/86/59/1297128659.db2.gz BQAKDVVCOSYJPQ-PMOLBWCYSA-N 2 2 329.488 2.294 20 10 EECDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001233010950 1304326144 /nfs/dbraw/zinc/32/61/44/1304326144.db2.gz AEYUXTHXRBVALB-UHFFFAOYSA-N 2 2 329.400 2.246 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393028 1305916649 /nfs/dbraw/zinc/91/66/49/1305916649.db2.gz QIRVVQWUABQFSP-DOTOQJQBSA-N 3 2 333.476 2.036 20 10 EECDLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393028 1305916652 /nfs/dbraw/zinc/91/66/52/1305916652.db2.gz QIRVVQWUABQFSP-DOTOQJQBSA-N 3 2 333.476 2.036 20 10 EECDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852280 1334727309 /nfs/dbraw/zinc/72/73/09/1334727309.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 3 2 348.510 2.350 20 10 EECDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852280 1334727313 /nfs/dbraw/zinc/72/73/13/1334727313.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 3 2 348.510 2.350 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000844225447 788917604 /nfs/dbraw/zinc/91/76/04/788917604.db2.gz AQVQZTSKZLCHBZ-IBGZPJMESA-N 2 2 346.519 2.208 20 10 EECDLP CCN(C)c1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000844338581 789011207 /nfs/dbraw/zinc/01/12/07/789011207.db2.gz RICYBPIMLDOTGK-UHFFFAOYSA-N 2 2 331.504 2.469 20 10 EECDLP COCC[N@H+](C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185314813 463799453 /nfs/dbraw/zinc/79/94/53/463799453.db2.gz QHFTURUIROCCNP-LLVKDONJSA-N 2 2 331.254 2.384 20 10 EECDLP COCC[N@@H+](C)CC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185314813 463799459 /nfs/dbraw/zinc/79/94/59/463799459.db2.gz QHFTURUIROCCNP-LLVKDONJSA-N 2 2 331.254 2.384 20 10 EECDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264736526 464443555 /nfs/dbraw/zinc/44/35/55/464443555.db2.gz JBDKDSICZXJSGU-IBGZPJMESA-N 2 2 325.456 2.395 20 10 EECDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000264736526 464443561 /nfs/dbraw/zinc/44/35/61/464443561.db2.gz JBDKDSICZXJSGU-IBGZPJMESA-N 2 2 325.456 2.395 20 10 EECDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569337 577847066 /nfs/dbraw/zinc/84/70/66/577847066.db2.gz MUIKDEPHWSAFCY-DGCLKSJQSA-N 2 2 342.281 2.051 20 10 EECDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569337 577847067 /nfs/dbraw/zinc/84/70/67/577847067.db2.gz MUIKDEPHWSAFCY-DGCLKSJQSA-N 2 2 342.281 2.051 20 10 EECDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001276788849 1297699169 /nfs/dbraw/zinc/69/91/69/1297699169.db2.gz AHEDXFWFCAKUQE-JLYLLQBASA-N 3 2 346.494 2.292 20 10 EECDLP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001276788849 1297699171 /nfs/dbraw/zinc/69/91/71/1297699171.db2.gz AHEDXFWFCAKUQE-JLYLLQBASA-N 3 2 346.494 2.292 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC4CC[NH+](CC4)C3)cc2)CC1 ZINC001254836352 1318201598 /nfs/dbraw/zinc/20/15/98/1318201598.db2.gz LEZGVXYHOOHDDO-IBGZPJMESA-N 3 2 328.504 2.012 20 10 EECDLP Nc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC001356083614 1338790790 /nfs/dbraw/zinc/79/07/90/1338790790.db2.gz VITJXDFQORBHKU-UHFFFAOYSA-N 2 2 341.455 2.270 20 10 EECDLP C[C@H](CC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1O)[NH+]1CCCCC1 ZINC001589960871 1349080538 /nfs/dbraw/zinc/08/05/38/1349080538.db2.gz HUCNRDKXSGNXSM-KGLIPLIRSA-N 2 2 344.463 2.487 20 10 EECDLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-c2nn[nH]n2)c1O ZINC001603663051 1350737613 /nfs/dbraw/zinc/73/76/13/1350737613.db2.gz SOPLBNMHZMJLLV-CYBMUJFWSA-N 2 2 330.436 2.099 20 10 EECDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621854 1372622091 /nfs/dbraw/zinc/62/20/91/1372622091.db2.gz SAIICCBVRJGFQS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621854 1372622096 /nfs/dbraw/zinc/62/20/96/1372622096.db2.gz SAIICCBVRJGFQS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621854 1372622100 /nfs/dbraw/zinc/62/21/00/1372622100.db2.gz SAIICCBVRJGFQS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cc(C)ccc3O)C2)C1 ZINC001140621854 1372622105 /nfs/dbraw/zinc/62/21/05/1372622105.db2.gz SAIICCBVRJGFQS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP Cn1cc(Cl)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000824758582 788303529 /nfs/dbraw/zinc/30/35/29/788303529.db2.gz YGKQHJJOHGUZMK-UHFFFAOYSA-N 2 2 333.867 2.115 20 10 EECDLP COc1cc(O)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206200974 797475932 /nfs/dbraw/zinc/47/59/32/797475932.db2.gz UUAYXFFZAWDHDS-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(O)c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1Br ZINC001206200974 797475935 /nfs/dbraw/zinc/47/59/35/797475935.db2.gz UUAYXFFZAWDHDS-RYUDHWBXSA-N 2 2 347.228 2.425 20 10 EECDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000113332634 237166522 /nfs/dbraw/zinc/16/65/22/237166522.db2.gz LBAPQFODUCJIHB-HNNXBMFYSA-N 2 2 339.867 2.078 20 10 EECDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000113332634 237166534 /nfs/dbraw/zinc/16/65/34/237166534.db2.gz LBAPQFODUCJIHB-HNNXBMFYSA-N 2 2 339.867 2.078 20 10 EECDLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(O)c1 ZINC000876927253 1199820532 /nfs/dbraw/zinc/82/05/32/1199820532.db2.gz WXTNYUAGZVZRPL-LJQANCHMSA-N 2 2 326.440 2.209 20 10 EECDLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(O)c1 ZINC000876927253 1199820536 /nfs/dbraw/zinc/82/05/36/1199820536.db2.gz WXTNYUAGZVZRPL-LJQANCHMSA-N 2 2 326.440 2.209 20 10 EECDLP C[C@H](C[NH+]1CCCCC1)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850027788 1277000916 /nfs/dbraw/zinc/00/09/16/1277000916.db2.gz INJXQPDKZIJTLH-GOSISDBHSA-N 2 2 330.520 2.402 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235114838 1305118720 /nfs/dbraw/zinc/11/87/20/1305118720.db2.gz GOMGOEWMPHJYNJ-FQEVSTJZSA-N 3 2 328.504 2.156 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235114838 1305118724 /nfs/dbraw/zinc/11/87/24/1305118724.db2.gz GOMGOEWMPHJYNJ-FQEVSTJZSA-N 3 2 328.504 2.156 20 10 EECDLP Oc1ccc(F)cc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001140053907 1314806029 /nfs/dbraw/zinc/80/60/29/1314806029.db2.gz FAHFVGRKDSCANL-HZPDHXFCSA-N 2 2 327.403 2.490 20 10 EECDLP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc(O)c1O ZINC001204349835 1322122710 /nfs/dbraw/zinc/12/27/10/1322122710.db2.gz CBGRQARRQCYPLY-UHFFFAOYSA-N 2 2 329.400 2.132 20 10 EECDLP C[C@H](CC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1O)[NH+]1CCCCC1 ZINC001589960873 1349081789 /nfs/dbraw/zinc/08/17/89/1349081789.db2.gz HUCNRDKXSGNXSM-ZIAGYGMSSA-N 2 2 344.463 2.487 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1O ZINC001140744975 1372661234 /nfs/dbraw/zinc/66/12/34/1372661234.db2.gz RLRUXSGDWJQDMI-QZTJIDSGSA-N 2 2 339.439 2.365 20 10 EECDLP COCC[N@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846805503 790626096 /nfs/dbraw/zinc/62/60/96/790626096.db2.gz XNPOGLHZSWRXBO-SFHVURJKSA-N 2 2 336.476 2.076 20 10 EECDLP COCC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846805503 790626106 /nfs/dbraw/zinc/62/61/06/790626106.db2.gz XNPOGLHZSWRXBO-SFHVURJKSA-N 2 2 336.476 2.076 20 10 EECDLP COCC[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000846805503 790626110 /nfs/dbraw/zinc/62/61/10/790626110.db2.gz XNPOGLHZSWRXBO-SFHVURJKSA-N 2 2 336.476 2.076 20 10 EECDLP COCC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000846805503 790626118 /nfs/dbraw/zinc/62/61/18/790626118.db2.gz XNPOGLHZSWRXBO-SFHVURJKSA-N 2 2 336.476 2.076 20 10 EECDLP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535460 784103887 /nfs/dbraw/zinc/10/38/87/784103887.db2.gz PCNQOIPJEDHRSO-LBPRGKRZSA-N 2 2 329.847 2.300 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902640 785054458 /nfs/dbraw/zinc/05/44/58/785054458.db2.gz VUMVPHPWUOEZBY-YJBOKZPZSA-N 3 2 334.483 2.198 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1O ZINC000097095756 463321808 /nfs/dbraw/zinc/32/18/08/463321808.db2.gz UBPAARONCGZSRS-BXKDBHETSA-N 2 2 329.238 2.475 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)c1O ZINC000097095756 463321812 /nfs/dbraw/zinc/32/18/12/463321812.db2.gz UBPAARONCGZSRS-BXKDBHETSA-N 2 2 329.238 2.475 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360958 464711576 /nfs/dbraw/zinc/71/15/76/464711576.db2.gz AGLQDWKCABIICZ-KDOFPFPSSA-N 2 2 345.487 2.261 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360958 464711583 /nfs/dbraw/zinc/71/15/83/464711583.db2.gz AGLQDWKCABIICZ-KDOFPFPSSA-N 2 2 345.487 2.261 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000775674443 577442415 /nfs/dbraw/zinc/44/24/15/577442415.db2.gz BGUSYVVCNUWOFS-FQEVSTJZSA-N 3 2 339.487 2.472 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000775674443 577442416 /nfs/dbraw/zinc/44/24/16/577442416.db2.gz BGUSYVVCNUWOFS-FQEVSTJZSA-N 3 2 339.487 2.472 20 10 EECDLP COc1ccc(N2CC[NH+](CCNc3cc[nH+]cc3Cl)CC2)cc1 ZINC000750025729 577985819 /nfs/dbraw/zinc/98/58/19/577985819.db2.gz NXFQAIVSLBAGDE-UHFFFAOYSA-N 2 2 346.862 2.400 20 10 EECDLP Oc1ccccc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865442786 1198219666 /nfs/dbraw/zinc/21/96/66/1198219666.db2.gz SWCAZKWMPKHQDI-UHFFFAOYSA-N 2 2 342.439 2.393 20 10 EECDLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1c(O)cccc1F ZINC000886525118 1202518442 /nfs/dbraw/zinc/51/84/42/1202518442.db2.gz XWKCCPKRMPIROI-CYBMUJFWSA-N 2 2 337.439 2.125 20 10 EECDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1O ZINC000779024464 1208447355 /nfs/dbraw/zinc/44/73/55/1208447355.db2.gz MSXNFMDBGXGJDC-JQWIXIFHSA-N 2 2 331.254 2.036 20 10 EECDLP CCc1ccc(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)c(O)c1 ZINC001276804599 1298006699 /nfs/dbraw/zinc/00/66/99/1298006699.db2.gz IOFPDWJAQLFFOZ-UHFFFAOYSA-N 2 2 326.444 2.111 20 10 EECDLP c1c(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001235120620 1305119748 /nfs/dbraw/zinc/11/97/48/1305119748.db2.gz UPSSFTZILFAYDC-NRFANRHFSA-N 2 2 341.499 2.340 20 10 EECDLP c1c(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001235120620 1305119753 /nfs/dbraw/zinc/11/97/53/1305119753.db2.gz UPSSFTZILFAYDC-NRFANRHFSA-N 2 2 341.499 2.340 20 10 EECDLP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157435628 1318640842 /nfs/dbraw/zinc/64/08/42/1318640842.db2.gz UMAWIVUJTOKQFS-PBHICJAKSA-N 2 2 342.443 2.042 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@](F)(C[NH3+])C3)cc2)CC1 ZINC001206351799 1323467145 /nfs/dbraw/zinc/46/71/45/1323467145.db2.gz INDQBKZVUZJVON-IBGZPJMESA-N 3 2 334.483 2.091 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@](F)(C[NH3+])C3)cc2)CC1 ZINC001206351799 1323467150 /nfs/dbraw/zinc/46/71/50/1323467150.db2.gz INDQBKZVUZJVON-IBGZPJMESA-N 3 2 334.483 2.091 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204577 1331572444 /nfs/dbraw/zinc/57/24/44/1331572444.db2.gz ACRRMGMCQRUGOM-PMACEKPBSA-N 3 2 328.504 2.155 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204577 1331572448 /nfs/dbraw/zinc/57/24/48/1331572448.db2.gz ACRRMGMCQRUGOM-PMACEKPBSA-N 3 2 328.504 2.155 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1F ZINC000818984859 785350802 /nfs/dbraw/zinc/35/08/02/785350802.db2.gz INEOKMRTKRBOAC-GOSISDBHSA-N 2 2 345.462 2.474 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1F ZINC000818984859 785350806 /nfs/dbraw/zinc/35/08/06/785350806.db2.gz INEOKMRTKRBOAC-GOSISDBHSA-N 2 2 345.462 2.474 20 10 EECDLP COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)cc1C ZINC000999472706 794516407 /nfs/dbraw/zinc/51/64/07/794516407.db2.gz JTYATRUWFVWTFQ-UHFFFAOYSA-N 2 2 342.443 2.048 20 10 EECDLP CN(C)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1F ZINC000119517759 462907519 /nfs/dbraw/zinc/90/75/19/462907519.db2.gz DILHFAZBOCKQSG-UHFFFAOYSA-N 2 2 334.483 2.105 20 10 EECDLP COCC[N@H+](C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185314795 463799651 /nfs/dbraw/zinc/79/96/51/463799651.db2.gz QHFTURUIROCCNP-NSHDSACASA-N 2 2 331.254 2.384 20 10 EECDLP COCC[N@@H+](C)CC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185314795 463799652 /nfs/dbraw/zinc/79/96/52/463799652.db2.gz QHFTURUIROCCNP-NSHDSACASA-N 2 2 331.254 2.384 20 10 EECDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(Br)ccc1O ZINC000273417183 464715672 /nfs/dbraw/zinc/71/56/72/464715672.db2.gz RCYXXUNLQYPZAI-DGCLKSJQSA-N 2 2 343.265 2.262 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370255 1202054705 /nfs/dbraw/zinc/05/47/05/1202054705.db2.gz INTBKJBRVYQRAL-ZWKOTPCHSA-N 2 2 347.503 2.148 20 10 EECDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001218955465 1297881845 /nfs/dbraw/zinc/88/18/45/1297881845.db2.gz LKYZFFGQGRWOLI-IBGZPJMESA-N 2 2 349.438 2.106 20 10 EECDLP C[NH+](C)CCCN1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233418586 1304462326 /nfs/dbraw/zinc/46/23/26/1304462326.db2.gz NDVJAKXCVTZCTO-UHFFFAOYSA-N 2 2 345.409 2.480 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC34COC4)c(F)c2)CC1 ZINC001236940127 1305739577 /nfs/dbraw/zinc/73/95/77/1305739577.db2.gz YCAJZOHGQMUAJG-UHFFFAOYSA-N 2 2 333.451 2.332 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC34COC4)c(F)c2)CC1 ZINC001236940127 1305739584 /nfs/dbraw/zinc/73/95/84/1305739584.db2.gz YCAJZOHGQMUAJG-UHFFFAOYSA-N 2 2 333.451 2.332 20 10 EECDLP COc1cc(C[N@@H+]2CCc3ccncc3C2)cc(C[NH+](C)C)c1O ZINC001139257830 1314722924 /nfs/dbraw/zinc/72/29/24/1314722924.db2.gz HTKXHUFELXZLBY-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP COc1cc(C[N@H+]2CCc3ccncc3C2)cc(C[NH+](C)C)c1O ZINC001139257830 1314722928 /nfs/dbraw/zinc/72/29/28/1314722928.db2.gz HTKXHUFELXZLBY-UHFFFAOYSA-N 2 2 327.428 2.416 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000841044564 1315461932 /nfs/dbraw/zinc/46/19/32/1315461932.db2.gz DFWSIKRZIDUGNH-IBGZPJMESA-N 2 2 339.487 2.406 20 10 EECDLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(I)cc2O)CC1 ZINC001205117728 1322288419 /nfs/dbraw/zinc/28/84/19/1322288419.db2.gz TUSBEQIBGARIFA-LBPRGKRZSA-N 2 2 346.212 2.310 20 10 EECDLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(I)cc2O)CC1 ZINC001205117728 1322288427 /nfs/dbraw/zinc/28/84/27/1322288427.db2.gz TUSBEQIBGARIFA-LBPRGKRZSA-N 2 2 346.212 2.310 20 10 EECDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221826 1334046173 /nfs/dbraw/zinc/04/61/73/1334046173.db2.gz KENPOFIMTAFQQV-DOTOQJQBSA-N 3 2 334.483 2.137 20 10 EECDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221826 1334046174 /nfs/dbraw/zinc/04/61/74/1334046174.db2.gz KENPOFIMTAFQQV-DOTOQJQBSA-N 3 2 334.483 2.137 20 10 EECDLP Cc1cc(O)c(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)cc1C ZINC001331021913 1334947748 /nfs/dbraw/zinc/94/77/48/1334947748.db2.gz NVPZMUHYZRFPGP-UHFFFAOYSA-N 2 2 345.487 2.315 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001135799724 784464313 /nfs/dbraw/zinc/46/43/13/784464313.db2.gz XEYVXHRTKJBUJE-LSDHHAIUSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001135799719 784464672 /nfs/dbraw/zinc/46/46/72/784464672.db2.gz XEYVXHRTKJBUJE-CABCVRRESA-N 2 2 344.459 2.342 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817890766 785024960 /nfs/dbraw/zinc/02/49/60/785024960.db2.gz YMPINXSORMYQPJ-VDZJLULYSA-N 2 2 344.503 2.009 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902639 785055124 /nfs/dbraw/zinc/05/51/24/785055124.db2.gz VUMVPHPWUOEZBY-QAPCUYQASA-N 3 2 334.483 2.198 20 10 EECDLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cc(Br)ccc1O ZINC000817982397 785130516 /nfs/dbraw/zinc/13/05/16/785130516.db2.gz DFDXCOVBUGGERI-WCQYABFASA-N 2 2 329.238 2.184 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000072725472 463540404 /nfs/dbraw/zinc/54/04/04/463540404.db2.gz GKPHABGWVCMLDD-IBGZPJMESA-N 2 2 346.519 2.175 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000072725472 463540410 /nfs/dbraw/zinc/54/04/10/463540410.db2.gz GKPHABGWVCMLDD-IBGZPJMESA-N 2 2 346.519 2.175 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000072725472 463540416 /nfs/dbraw/zinc/54/04/16/463540416.db2.gz GKPHABGWVCMLDD-IBGZPJMESA-N 2 2 346.519 2.175 20 10 EECDLP CN(C)c1ccc(CNC(=O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000072725472 463540420 /nfs/dbraw/zinc/54/04/20/463540420.db2.gz GKPHABGWVCMLDD-IBGZPJMESA-N 2 2 346.519 2.175 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364246 464713211 /nfs/dbraw/zinc/71/32/11/464713211.db2.gz BAMJRPZZPKJKDG-XJKSGUPXSA-N 2 2 337.439 2.125 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364246 464713214 /nfs/dbraw/zinc/71/32/14/464713214.db2.gz BAMJRPZZPKJKDG-XJKSGUPXSA-N 2 2 337.439 2.125 20 10 EECDLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1O ZINC000273362548 464714102 /nfs/dbraw/zinc/71/41/02/464714102.db2.gz DFHXPIQPMKNNJD-DGCLKSJQSA-N 2 2 343.265 2.262 20 10 EECDLP CCOc1ccc(C[NH+]2CCN(C3=[NH+]C[C@H](C)S3)CC2)c(O)c1 ZINC000769487869 577579140 /nfs/dbraw/zinc/57/91/40/577579140.db2.gz MOZIHHPIJURYEG-ZDUSSCGKSA-N 2 2 335.473 2.400 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000841040425 1315460802 /nfs/dbraw/zinc/46/08/02/1315460802.db2.gz MBSLKSHYPYBGEM-KRWDZBQOSA-N 2 2 327.428 2.313 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843120241 1315847671 /nfs/dbraw/zinc/84/76/71/1315847671.db2.gz BARQHUNNQNCKBV-OAHLLOKOSA-N 2 2 341.249 2.349 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1O ZINC000843120241 1315847667 /nfs/dbraw/zinc/84/76/67/1315847667.db2.gz BARQHUNNQNCKBV-OAHLLOKOSA-N 2 2 341.249 2.349 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727245 1317494228 /nfs/dbraw/zinc/49/42/28/1317494228.db2.gz QEKVVQDOSPNONO-MSOLQXFVSA-N 3 2 346.494 2.294 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727245 1317494231 /nfs/dbraw/zinc/49/42/31/1317494231.db2.gz QEKVVQDOSPNONO-MSOLQXFVSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727245 1317494233 /nfs/dbraw/zinc/49/42/33/1317494233.db2.gz QEKVVQDOSPNONO-MSOLQXFVSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727245 1317494236 /nfs/dbraw/zinc/49/42/36/1317494236.db2.gz QEKVVQDOSPNONO-MSOLQXFVSA-N 2 2 346.494 2.294 20 10 EECDLP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667058 1372630616 /nfs/dbraw/zinc/63/06/16/1372630616.db2.gz HFXPQOXTVRAANW-CALCHBBNSA-N 2 2 333.451 2.046 20 10 EECDLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667058 1372630621 /nfs/dbraw/zinc/63/06/21/1372630621.db2.gz HFXPQOXTVRAANW-CALCHBBNSA-N 2 2 333.451 2.046 20 10 EECDLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667058 1372630632 /nfs/dbraw/zinc/63/06/32/1372630632.db2.gz HFXPQOXTVRAANW-CALCHBBNSA-N 2 2 333.451 2.046 20 10 EECDLP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667058 1372630638 /nfs/dbraw/zinc/63/06/38/1372630638.db2.gz HFXPQOXTVRAANW-CALCHBBNSA-N 2 2 333.451 2.046 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c[nH+]ccc1N ZINC000817889775 785024245 /nfs/dbraw/zinc/02/42/45/785024245.db2.gz VODLYURWDUKBNM-CYBMUJFWSA-N 2 2 330.407 2.321 20 10 EECDLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)[C@@H]1C ZINC000817942514 785090424 /nfs/dbraw/zinc/09/04/24/785090424.db2.gz PHSPTMDOISUVCZ-KCMWZYNZSA-N 2 2 333.476 2.320 20 10 EECDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391524 786724932 /nfs/dbraw/zinc/72/49/32/786724932.db2.gz NMCIPCYLPUFDQJ-QZTJIDSGSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391524 786724939 /nfs/dbraw/zinc/72/49/39/786724939.db2.gz NMCIPCYLPUFDQJ-QZTJIDSGSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391524 786724949 /nfs/dbraw/zinc/72/49/49/786724949.db2.gz NMCIPCYLPUFDQJ-QZTJIDSGSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000821391524 786724957 /nfs/dbraw/zinc/72/49/57/786724957.db2.gz NMCIPCYLPUFDQJ-QZTJIDSGSA-N 2 2 336.476 2.074 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000280417224 464204953 /nfs/dbraw/zinc/20/49/53/464204953.db2.gz WQNBDQZCGRPVKW-HNNXBMFYSA-N 2 2 333.398 2.174 20 10 EECDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278936366 464009018 /nfs/dbraw/zinc/00/90/18/464009018.db2.gz JQHSWPXZVYBZAT-STQMWFEESA-N 2 2 329.400 2.289 20 10 EECDLP CCN(C)c1ccc(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC000773747873 577362585 /nfs/dbraw/zinc/36/25/85/577362585.db2.gz KQIDITOUROWUGH-UHFFFAOYSA-N 2 2 346.519 2.129 20 10 EECDLP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756535551 577845981 /nfs/dbraw/zinc/84/59/81/577845981.db2.gz QZMJCZFVMCXZGI-QWHCGFSZSA-N 2 2 327.419 2.205 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)cc1C ZINC000987070720 689307256 /nfs/dbraw/zinc/30/72/56/689307256.db2.gz SKFGQTWOTNVNSI-PBHICJAKSA-N 2 2 342.443 2.048 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)cc1C ZINC000987070728 689307496 /nfs/dbraw/zinc/30/74/96/689307496.db2.gz SKFGQTWOTNVNSI-RHSMWYFYSA-N 2 2 342.443 2.048 20 10 EECDLP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(F)cc(F)c3O)CC2)CC1 ZINC000882945032 1201981539 /nfs/dbraw/zinc/98/15/39/1201981539.db2.gz DYLNCHFTXSMRNK-UHFFFAOYSA-N 2 2 339.430 2.319 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)C2)cc1C ZINC001018782924 1228394875 /nfs/dbraw/zinc/39/48/75/1228394875.db2.gz FVXDLFUREUHGRC-INIZCTEOSA-N 2 2 342.443 2.050 20 10 EECDLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1O ZINC000854231456 1292681948 /nfs/dbraw/zinc/68/19/48/1292681948.db2.gz DJJTWPOTVPSWOX-QMMMGPOBSA-N 2 2 342.321 2.216 20 10 EECDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222389874 1299532681 /nfs/dbraw/zinc/53/26/81/1299532681.db2.gz HTECNIYPQMGRBT-HXUWFJFHSA-N 3 2 328.504 2.204 20 10 EECDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222389874 1299532690 /nfs/dbraw/zinc/53/26/90/1299532690.db2.gz HTECNIYPQMGRBT-HXUWFJFHSA-N 3 2 328.504 2.204 20 10 EECDLP CC[NH+]1C[C@@H]2C[NH+](Cc3c4ccccc4n(C)c3C(=O)OC)C[C@H]2C1 ZINC001232410860 1304112101 /nfs/dbraw/zinc/11/21/01/1304112101.db2.gz UDUPKOLLLVNGDC-HUUCEWRRSA-N 2 2 341.455 2.348 20 10 EECDLP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC001140309440 1314865257 /nfs/dbraw/zinc/86/52/57/1314865257.db2.gz GUXJHOHGIAPIJY-UHFFFAOYSA-N 2 2 345.487 2.356 20 10 EECDLP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)C1CC1 ZINC001140309440 1314865264 /nfs/dbraw/zinc/86/52/64/1314865264.db2.gz GUXJHOHGIAPIJY-UHFFFAOYSA-N 2 2 345.487 2.356 20 10 EECDLP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cn1cc[nH+]c1 ZINC001321649630 1333138143 /nfs/dbraw/zinc/13/81/43/1333138143.db2.gz ABVOWQBSDUCVFI-MRXNPFEDSA-N 3 2 345.466 2.200 20 10 EECDLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cc(Br)ccc1O ZINC000717428983 1369669707 /nfs/dbraw/zinc/66/97/07/1369669707.db2.gz WYGZQRGVIXDJDZ-WCQYABFASA-N 2 2 331.254 2.118 20 10 EECDLP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667158 1372630675 /nfs/dbraw/zinc/63/06/75/1372630675.db2.gz JICWOBHCPBGGIX-HDICACEKSA-N 2 2 347.478 2.436 20 10 EECDLP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667158 1372630678 /nfs/dbraw/zinc/63/06/78/1372630678.db2.gz JICWOBHCPBGGIX-HDICACEKSA-N 2 2 347.478 2.436 20 10 EECDLP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667158 1372630682 /nfs/dbraw/zinc/63/06/82/1372630682.db2.gz JICWOBHCPBGGIX-HDICACEKSA-N 2 2 347.478 2.436 20 10 EECDLP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140667158 1372630684 /nfs/dbraw/zinc/63/06/84/1372630684.db2.gz JICWOBHCPBGGIX-HDICACEKSA-N 2 2 347.478 2.436 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCn2cc[nH+]c2)cc1C ZINC001755598938 1407669890 /nfs/dbraw/zinc/66/98/90/1407669890.db2.gz PJGVOKAVPYBVRP-MRXNPFEDSA-N 2 2 344.459 2.227 20 10 EECDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000273621927 464722933 /nfs/dbraw/zinc/72/29/33/464722933.db2.gz ZKLHRVIZJIBPJG-RDJZCZTQSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(O)c1 ZINC000273621927 464722938 /nfs/dbraw/zinc/72/29/38/464722938.db2.gz ZKLHRVIZJIBPJG-RDJZCZTQSA-N 2 2 333.476 2.294 20 10 EECDLP CN(C)c1ccc([C@H](CNc2cc(N(C)C)[nH+]cn2)[NH+](C)C)cc1 ZINC000897521098 690835952 /nfs/dbraw/zinc/83/59/52/690835952.db2.gz CHPMHVRTEUWSMO-INIZCTEOSA-N 2 2 328.464 2.323 20 10 EECDLP COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cn1cccn1 ZINC000873006453 1198472531 /nfs/dbraw/zinc/47/25/31/1198472531.db2.gz IIXANTIRUGVBEE-UHFFFAOYSA-N 2 2 325.416 2.316 20 10 EECDLP Oc1ccc(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001140053906 1314805756 /nfs/dbraw/zinc/80/57/56/1314805756.db2.gz FAHFVGRKDSCANL-HOTGVXAUSA-N 2 2 327.403 2.490 20 10 EECDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4O)C[C@@H]3C2)cn1 ZINC001140054108 1314805837 /nfs/dbraw/zinc/80/58/37/1314805837.db2.gz JIVPDMPGEIIRGB-WBVHZDCISA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4O)C[C@@H]3C2)cn1 ZINC001140054108 1314805838 /nfs/dbraw/zinc/80/58/38/1314805838.db2.gz JIVPDMPGEIIRGB-WBVHZDCISA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)ccc4O)C[C@@H]3C2)cn1 ZINC001140054108 1314805839 /nfs/dbraw/zinc/80/58/39/1314805839.db2.gz JIVPDMPGEIIRGB-WBVHZDCISA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)ccc4O)C[C@@H]3C2)cn1 ZINC001140054108 1314805840 /nfs/dbraw/zinc/80/58/40/1314805840.db2.gz JIVPDMPGEIIRGB-WBVHZDCISA-N 2 2 344.434 2.219 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[NH3+])C3CCCC3)cc2F)CC1 ZINC001325321774 1333863506 /nfs/dbraw/zinc/86/35/06/1333863506.db2.gz ZOEQHKBTIQFVJG-GOSISDBHSA-N 3 2 334.483 2.185 20 10 EECDLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001589956763 1349077826 /nfs/dbraw/zinc/07/78/26/1349077826.db2.gz QEJYXLPZNQZSLY-LBPRGKRZSA-N 2 2 344.463 2.486 20 10 EECDLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccn12 ZINC000852792086 1369301781 /nfs/dbraw/zinc/30/17/81/1369301781.db2.gz RFTXQZZCWNRKFB-QGZVFWFLSA-N 2 2 337.427 2.139 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000823602627 787827549 /nfs/dbraw/zinc/82/75/49/787827549.db2.gz PLLQYBFKSQZQIB-FUHIMQAGSA-N 2 2 347.503 2.363 20 10 EECDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000131106055 462793359 /nfs/dbraw/zinc/79/33/59/462793359.db2.gz RUAUNKVNKQXKGC-QGZVFWFLSA-N 2 2 335.467 2.436 20 10 EECDLP CN(C)c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1F ZINC000131106055 462793361 /nfs/dbraw/zinc/79/33/61/462793361.db2.gz RUAUNKVNKQXKGC-QGZVFWFLSA-N 2 2 335.467 2.436 20 10 EECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(F)ccc1O ZINC000285540085 464602310 /nfs/dbraw/zinc/60/23/10/464602310.db2.gz DEDJWFVFYDJPHT-OHRKKDJYSA-N 2 2 349.450 2.266 20 10 EECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(F)ccc1O ZINC000285540085 464602314 /nfs/dbraw/zinc/60/23/14/464602314.db2.gz DEDJWFVFYDJPHT-OHRKKDJYSA-N 2 2 349.450 2.266 20 10 EECDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000733327796 577222800 /nfs/dbraw/zinc/22/28/00/577222800.db2.gz HAESLEIHDTZWPX-UHFFFAOYSA-N 2 2 339.867 2.078 20 10 EECDLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000882980094 1201990137 /nfs/dbraw/zinc/99/01/37/1201990137.db2.gz YOKMQJQBDGMTBW-ZDUSSCGKSA-N 2 2 327.419 2.034 20 10 EECDLP COc1cc(O)c(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1Cl ZINC001232270261 1304060066 /nfs/dbraw/zinc/06/00/66/1304060066.db2.gz ZTTRMBSNBQPZIN-UHFFFAOYSA-N 2 2 341.883 2.124 20 10 EECDLP COc1cc(O)c(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000843114915 1315846016 /nfs/dbraw/zinc/84/60/16/1315846016.db2.gz LQRVJOFBVGUNAO-JKSUJKDBSA-N 2 2 328.412 2.336 20 10 EECDLP COc1cc(O)c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1OC ZINC000843114915 1315846019 /nfs/dbraw/zinc/84/60/19/1315846019.db2.gz LQRVJOFBVGUNAO-JKSUJKDBSA-N 2 2 328.412 2.336 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2)CC1 ZINC001206173747 797056260 /nfs/dbraw/zinc/05/62/60/797056260.db2.gz JVQGEQNUPHDGNA-OALUTQOASA-N 3 2 334.483 2.090 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)cc2)CC1 ZINC001206173747 797056267 /nfs/dbraw/zinc/05/62/67/797056267.db2.gz JVQGEQNUPHDGNA-OALUTQOASA-N 3 2 334.483 2.090 20 10 EECDLP Cc1cc(Br)c(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000787307913 807083984 /nfs/dbraw/zinc/08/39/84/807083984.db2.gz YSEJVPVKXVXJII-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(Br)c(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000787307913 807083993 /nfs/dbraw/zinc/08/39/93/807083993.db2.gz YSEJVPVKXVXJII-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000787307913 807084001 /nfs/dbraw/zinc/08/40/01/807084001.db2.gz YSEJVPVKXVXJII-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCC4)C3)cc2)CC1 ZINC000775669191 577442280 /nfs/dbraw/zinc/44/22/80/577442280.db2.gz UKFMTBDSNNOOOB-FQEVSTJZSA-N 2 2 328.504 2.109 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCC4)C3)cc2)CC1 ZINC000775669191 577442281 /nfs/dbraw/zinc/44/22/81/577442281.db2.gz UKFMTBDSNNOOOB-FQEVSTJZSA-N 2 2 328.504 2.109 20 10 EECDLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C1 ZINC000775685758 577442787 /nfs/dbraw/zinc/44/27/87/577442787.db2.gz VLWUKURLJQGCLA-OAHLLOKOSA-N 2 2 341.858 2.397 20 10 EECDLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C1 ZINC000775685758 577442788 /nfs/dbraw/zinc/44/27/88/577442788.db2.gz VLWUKURLJQGCLA-OAHLLOKOSA-N 2 2 341.858 2.397 20 10 EECDLP CC[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030156 577798909 /nfs/dbraw/zinc/79/89/09/577798909.db2.gz LOSRLMPNOCLFEM-HKUYNNGSSA-N 2 2 347.503 2.053 20 10 EECDLP CC[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030156 577798910 /nfs/dbraw/zinc/79/89/10/577798910.db2.gz LOSRLMPNOCLFEM-HKUYNNGSSA-N 2 2 347.503 2.053 20 10 EECDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000756490649 577844974 /nfs/dbraw/zinc/84/49/74/577844974.db2.gz QMCLEJCOSUICNI-JTQLQIEISA-N 2 2 346.258 2.124 20 10 EECDLP C[C@@H](CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC000891246899 676240845 /nfs/dbraw/zinc/24/08/45/676240845.db2.gz QROOZGIBFNNBMA-MAUKXSAKSA-N 2 2 343.475 2.319 20 10 EECDLP COc1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c(OC)c1 ZINC000879462457 1201080724 /nfs/dbraw/zinc/08/07/24/1201080724.db2.gz OXKUUYSJHFRGSH-UHFFFAOYSA-N 2 2 330.432 2.113 20 10 EECDLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(O)c(OC)c1 ZINC001237680890 1306042576 /nfs/dbraw/zinc/04/25/76/1306042576.db2.gz MXNYURPTOOGNGD-OAHLLOKOSA-N 2 2 330.384 2.458 20 10 EECDLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589956855 1349078449 /nfs/dbraw/zinc/07/84/49/1349078449.db2.gz PXQZKKHLMAQFKV-RWMBFGLXSA-N 2 2 330.436 2.096 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001135552258 783972171 /nfs/dbraw/zinc/97/21/71/783972171.db2.gz COLIVEJCXHWNPA-LSDHHAIUSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+]C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1C ZINC000997118049 788942572 /nfs/dbraw/zinc/94/25/72/788942572.db2.gz GYXCUCLAGYROLO-UHFFFAOYSA-N 2 2 342.443 2.050 20 10 EECDLP CN(C)c1ccnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000922483330 801145470 /nfs/dbraw/zinc/14/54/70/801145470.db2.gz UWKWNWOZTIGMDR-UHFFFAOYSA-N 2 2 339.487 2.189 20 10 EECDLP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cc(F)cc(F)c1O ZINC000756407886 577843599 /nfs/dbraw/zinc/84/35/99/577843599.db2.gz GPYKCCGMHDJVME-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(F)cc(F)c1O ZINC000756407886 577843600 /nfs/dbraw/zinc/84/36/00/577843600.db2.gz GPYKCCGMHDJVME-CYBMUJFWSA-N 2 2 327.419 2.349 20 10 EECDLP C[NH+](C)CCN1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233415770 1304461889 /nfs/dbraw/zinc/46/18/89/1304461889.db2.gz IDEPHXQGVMZFTA-UHFFFAOYSA-N 2 2 331.382 2.090 20 10 EECDLP Oc1cc2c(cc1C[NH+]1CC(Oc3ccc(F)cc3)C1)C[NH2+]CCO2 ZINC001235959514 1305456473 /nfs/dbraw/zinc/45/64/73/1305456473.db2.gz XEUIYEDHKMHZKH-UHFFFAOYSA-N 2 2 344.386 2.277 20 10 EECDLP C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236071389 1305489964 /nfs/dbraw/zinc/48/99/64/1305489964.db2.gz WCXHWHLAYMYYSC-HNNXBMFYSA-N 2 2 333.476 2.258 20 10 EECDLP C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236071389 1305489969 /nfs/dbraw/zinc/48/99/69/1305489969.db2.gz WCXHWHLAYMYYSC-HNNXBMFYSA-N 2 2 333.476 2.258 20 10 EECDLP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236079853 1305496485 /nfs/dbraw/zinc/49/64/85/1305496485.db2.gz SPGDKFOBUTXFOC-LBPRGKRZSA-N 2 2 330.259 2.306 20 10 EECDLP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3cc(Cl)c(Cl)cc3O)C2)C1 ZINC001236079853 1305496477 /nfs/dbraw/zinc/49/64/77/1305496477.db2.gz SPGDKFOBUTXFOC-LBPRGKRZSA-N 2 2 330.259 2.306 20 10 EECDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c(O)ccc(Cl)c1Cl ZINC001237085443 1305791321 /nfs/dbraw/zinc/79/13/21/1305791321.db2.gz ZYQLGELZXYTTFJ-UHFFFAOYSA-N 2 2 332.275 2.378 20 10 EECDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c(O)ccc(Cl)c1Cl ZINC001237085443 1305791330 /nfs/dbraw/zinc/79/13/30/1305791330.db2.gz ZYQLGELZXYTTFJ-UHFFFAOYSA-N 2 2 332.275 2.378 20 10 EECDLP Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000841098791 1315475211 /nfs/dbraw/zinc/47/52/11/1315475211.db2.gz IYUTXIBMQIYNGH-GOSISDBHSA-N 2 2 328.412 2.049 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747126 1315607798 /nfs/dbraw/zinc/60/77/98/1315607798.db2.gz OCLTZNQCIMBGHH-STQMWFEESA-N 2 2 339.867 2.284 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1O ZINC000841747126 1315607800 /nfs/dbraw/zinc/60/78/00/1315607800.db2.gz OCLTZNQCIMBGHH-STQMWFEESA-N 2 2 339.867 2.284 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205558890 1323195270 /nfs/dbraw/zinc/19/52/70/1323195270.db2.gz LAVMYHQTQLNFFM-SFHVURJKSA-N 2 2 334.391 2.460 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205558890 1323195275 /nfs/dbraw/zinc/19/52/75/1323195275.db2.gz LAVMYHQTQLNFFM-SFHVURJKSA-N 2 2 334.391 2.460 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)CC2)cc1 ZINC000823602628 787827855 /nfs/dbraw/zinc/82/78/55/787827855.db2.gz PLLQYBFKSQZQIB-MBOZVWFJSA-N 2 2 347.503 2.363 20 10 EECDLP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)cc(F)c1O ZINC000756637260 577847865 /nfs/dbraw/zinc/84/78/65/577847865.db2.gz IIZZQLSMHJNGFK-LBPRGKRZSA-N 2 2 327.419 2.347 20 10 EECDLP C[N@H+](Cc1ccc(I)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235348487 1305200178 /nfs/dbraw/zinc/20/01/78/1305200178.db2.gz YSOZLZQWOIEWOO-LBPRGKRZSA-N 2 2 346.212 2.181 20 10 EECDLP C[N@@H+](Cc1ccc(I)cc1O)[C@H]1CCC[NH2+]C1 ZINC001235348487 1305200182 /nfs/dbraw/zinc/20/01/82/1305200182.db2.gz YSOZLZQWOIEWOO-LBPRGKRZSA-N 2 2 346.212 2.181 20 10 EECDLP Oc1cc(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc(O)c1O ZINC001276833190 1299804057 /nfs/dbraw/zinc/80/40/57/1299804057.db2.gz KEWNBISCNOIPIT-UHFFFAOYSA-N 2 2 343.427 2.230 20 10 EECDLP COc1cc(C[N@H+](C)Cc2cc(C)nn2C)cc(C[NH+](C)C)c1O ZINC001139257274 1314722111 /nfs/dbraw/zinc/72/21/11/1314722111.db2.gz WZOHOEOXBGJGLJ-UHFFFAOYSA-N 2 2 332.448 2.136 20 10 EECDLP COc1cc(C[N@@H+](C)Cc2cc(C)nn2C)cc(C[NH+](C)C)c1O ZINC001139257274 1314722114 /nfs/dbraw/zinc/72/21/14/1314722114.db2.gz WZOHOEOXBGJGLJ-UHFFFAOYSA-N 2 2 332.448 2.136 20 10 EECDLP Oc1ccc(F)cc1C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001140062876 1314806625 /nfs/dbraw/zinc/80/66/25/1314806625.db2.gz HGCRJQPGTDQFQZ-IAGOWNOFSA-N 2 2 327.403 2.490 20 10 EECDLP COC(=O)c1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841041713 1315461255 /nfs/dbraw/zinc/46/12/55/1315461255.db2.gz AOEUYJWPOHBWSV-GOSISDBHSA-N 2 2 327.428 2.329 20 10 EECDLP Oc1cccc(Cl)c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000843118985 1315847508 /nfs/dbraw/zinc/84/75/08/1315847508.db2.gz RTLDUSQQLVROAR-UHFFFAOYSA-N 2 2 347.850 2.120 20 10 EECDLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001203877798 1321980659 /nfs/dbraw/zinc/98/06/59/1321980659.db2.gz JXYBDTVIVXMZIZ-PXNSSMCTSA-N 2 2 346.471 2.278 20 10 EECDLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)c(O)c1)C2 ZINC001203877798 1321980661 /nfs/dbraw/zinc/98/06/61/1321980661.db2.gz JXYBDTVIVXMZIZ-PXNSSMCTSA-N 2 2 346.471 2.278 20 10 EECDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877798 1321980663 /nfs/dbraw/zinc/98/06/63/1321980663.db2.gz JXYBDTVIVXMZIZ-PXNSSMCTSA-N 2 2 346.471 2.278 20 10 EECDLP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203877798 1321980665 /nfs/dbraw/zinc/98/06/65/1321980665.db2.gz JXYBDTVIVXMZIZ-PXNSSMCTSA-N 2 2 346.471 2.278 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2)CC1 ZINC001206352297 1323466764 /nfs/dbraw/zinc/46/67/64/1323466764.db2.gz SWCAHFRZFWGIEQ-HXUWFJFHSA-N 3 2 348.510 2.481 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](F)(C[NH3+])C3)cc2)CC1 ZINC001206352297 1323466765 /nfs/dbraw/zinc/46/67/65/1323466765.db2.gz SWCAHFRZFWGIEQ-HXUWFJFHSA-N 3 2 348.510 2.481 20 10 EECDLP C[C@H]1CCN(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318805649 1332601337 /nfs/dbraw/zinc/60/13/37/1332601337.db2.gz PJIJKRXPPGBWNW-INIZCTEOSA-N 2 2 334.483 2.009 20 10 EECDLP C[C@H]1CC[N@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318805649 1332601339 /nfs/dbraw/zinc/60/13/39/1332601339.db2.gz PJIJKRXPPGBWNW-INIZCTEOSA-N 2 2 334.483 2.009 20 10 EECDLP C[C@H]1CC[N@@H+](CCNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001318805649 1332601340 /nfs/dbraw/zinc/60/13/40/1332601340.db2.gz PJIJKRXPPGBWNW-INIZCTEOSA-N 2 2 334.483 2.009 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000691461522 1371205534 /nfs/dbraw/zinc/20/55/34/1371205534.db2.gz IQJFRDZNCKVRHY-ZIAGYGMSSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000691461522 1371205536 /nfs/dbraw/zinc/20/55/36/1371205536.db2.gz IQJFRDZNCKVRHY-ZIAGYGMSSA-N 2 2 341.249 2.108 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001755237938 1407247139 /nfs/dbraw/zinc/24/71/39/1407247139.db2.gz QVGJHHQCPTVJPA-HUUCEWRRSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001755237938 1407247145 /nfs/dbraw/zinc/24/71/45/1407247145.db2.gz QVGJHHQCPTVJPA-HUUCEWRRSA-N 2 2 344.459 2.342 20 10 EECDLP COc1cc(Br)cc(C[N@H+](C)C2(C[NH3+])CCC2)c1O ZINC000843125428 794314623 /nfs/dbraw/zinc/31/46/23/794314623.db2.gz WEZWHTBGNCRTDN-UHFFFAOYSA-N 2 2 329.238 2.477 20 10 EECDLP COc1cc(Br)cc(C[N@@H+](C)C2(C[NH3+])CCC2)c1O ZINC000843125428 794314630 /nfs/dbraw/zinc/31/46/30/794314630.db2.gz WEZWHTBGNCRTDN-UHFFFAOYSA-N 2 2 329.238 2.477 20 10 EECDLP Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742162581 578128195 /nfs/dbraw/zinc/12/81/95/578128195.db2.gz VOWHJMHYIPTKEX-OAHLLOKOSA-N 2 2 327.428 2.095 20 10 EECDLP Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742162581 578128196 /nfs/dbraw/zinc/12/81/96/578128196.db2.gz VOWHJMHYIPTKEX-OAHLLOKOSA-N 2 2 327.428 2.095 20 10 EECDLP COc1ccc(C[NH2+]CCNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C ZINC001134517730 1199642108 /nfs/dbraw/zinc/64/21/08/1199642108.db2.gz QGCNJBPOQJTUFQ-OAHLLOKOSA-N 2 2 330.432 2.057 20 10 EECDLP Cc1ccc(C)c(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)c1O ZINC001275968815 1205608049 /nfs/dbraw/zinc/60/80/49/1205608049.db2.gz OAPMCKRCOVLVFU-UHFFFAOYSA-N 2 2 326.444 2.023 20 10 EECDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093045613 1214754543 /nfs/dbraw/zinc/75/45/43/1214754543.db2.gz IXYJYEJZEWAEFN-UHFFFAOYSA-N 2 2 339.867 2.032 20 10 EECDLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C ZINC000796504579 1220135220 /nfs/dbraw/zinc/13/52/20/1220135220.db2.gz VQFLWIVDXFUJPI-AYHJJNSGSA-N 2 2 345.487 2.177 20 10 EECDLP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1C ZINC000796504579 1220135222 /nfs/dbraw/zinc/13/52/22/1220135222.db2.gz VQFLWIVDXFUJPI-AYHJJNSGSA-N 2 2 345.487 2.177 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH+]3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC001139411711 1314740636 /nfs/dbraw/zinc/74/06/36/1314740636.db2.gz ZWSHIUJDLNYBEB-UHFFFAOYSA-N 3 2 328.504 2.109 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961578 1349081747 /nfs/dbraw/zinc/08/17/47/1349081747.db2.gz ROLLZMXTJLNENG-KBPBESRZSA-N 2 2 344.463 2.487 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(-c2nn[nH]n2)c1O ZINC001589961578 1349081749 /nfs/dbraw/zinc/08/17/49/1349081749.db2.gz ROLLZMXTJLNENG-KBPBESRZSA-N 2 2 344.463 2.487 20 10 EECDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996576 785356894 /nfs/dbraw/zinc/35/68/94/785356894.db2.gz IRDZECKLANMDAG-LJQANCHMSA-N 2 2 326.440 2.204 20 10 EECDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000818996576 785356902 /nfs/dbraw/zinc/35/69/02/785356902.db2.gz IRDZECKLANMDAG-LJQANCHMSA-N 2 2 326.440 2.204 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000192454541 237315211 /nfs/dbraw/zinc/31/52/11/237315211.db2.gz CQIUVQXJQPVATE-PXNSSMCTSA-N 2 2 347.503 2.222 20 10 EECDLP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268888000 463796375 /nfs/dbraw/zinc/79/63/75/463796375.db2.gz IZBZVDVSDJQQGU-MAUKXSAKSA-N 2 2 332.492 2.133 20 10 EECDLP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000268888000 463796381 /nfs/dbraw/zinc/79/63/81/463796381.db2.gz IZBZVDVSDJQQGU-MAUKXSAKSA-N 2 2 332.492 2.133 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364244 464713710 /nfs/dbraw/zinc/71/37/10/464713710.db2.gz BAMJRPZZPKJKDG-CJNGLKHVSA-N 2 2 337.439 2.125 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1O ZINC000273364244 464713714 /nfs/dbraw/zinc/71/37/14/464713714.db2.gz BAMJRPZZPKJKDG-CJNGLKHVSA-N 2 2 337.439 2.125 20 10 EECDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571385 527849417 /nfs/dbraw/zinc/84/94/17/527849417.db2.gz YIWSNRVBRHOIIL-GOSISDBHSA-N 2 2 346.519 2.033 20 10 EECDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571385 527849423 /nfs/dbraw/zinc/84/94/23/527849423.db2.gz YIWSNRVBRHOIIL-GOSISDBHSA-N 2 2 346.519 2.033 20 10 EECDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571385 527849428 /nfs/dbraw/zinc/84/94/28/527849428.db2.gz YIWSNRVBRHOIIL-GOSISDBHSA-N 2 2 346.519 2.033 20 10 EECDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571385 527849431 /nfs/dbraw/zinc/84/94/31/527849431.db2.gz YIWSNRVBRHOIIL-GOSISDBHSA-N 2 2 346.519 2.033 20 10 EECDLP CC[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030160 577798863 /nfs/dbraw/zinc/79/88/63/577798863.db2.gz LOSRLMPNOCLFEM-MJGOQNOKSA-N 2 2 347.503 2.053 20 10 EECDLP CC[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754030160 577798864 /nfs/dbraw/zinc/79/88/64/577798864.db2.gz LOSRLMPNOCLFEM-MJGOQNOKSA-N 2 2 347.503 2.053 20 10 EECDLP C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1O)CN1CC[NH+](C)CC1 ZINC000756535546 577846017 /nfs/dbraw/zinc/84/60/17/577846017.db2.gz QZMJCZFVMCXZGI-CHWSQXEVSA-N 2 2 327.419 2.205 20 10 EECDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283788 1202040384 /nfs/dbraw/zinc/04/03/84/1202040384.db2.gz STCLFGMWZVKRON-UHFFFAOYSA-N 3 2 339.487 2.189 20 10 EECDLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000815580687 1278144863 /nfs/dbraw/zinc/14/48/63/1278144863.db2.gz OWEGRMSPTXCVGF-QZTJIDSGSA-N 2 2 347.503 2.066 20 10 EECDLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469050 1294126449 /nfs/dbraw/zinc/12/64/49/1294126449.db2.gz OEBZWWVISJWBLS-XBFCOCLRSA-N 2 2 335.423 2.009 20 10 EECDLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469050 1294126453 /nfs/dbraw/zinc/12/64/53/1294126453.db2.gz OEBZWWVISJWBLS-XBFCOCLRSA-N 2 2 335.423 2.009 20 10 EECDLP COc1cc(Br)cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1O ZINC000841063956 1315465496 /nfs/dbraw/zinc/46/54/96/1315465496.db2.gz CJCJOVYMGPLXIK-BXKDBHETSA-N 2 2 329.238 2.393 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2)CC1 ZINC001206173750 1323413886 /nfs/dbraw/zinc/41/38/86/1323413886.db2.gz JVQGEQNUPHDGNA-RTBURBONSA-N 3 2 334.483 2.090 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)cc2)CC1 ZINC001206173750 1323413891 /nfs/dbraw/zinc/41/38/91/1323413891.db2.gz JVQGEQNUPHDGNA-RTBURBONSA-N 3 2 334.483 2.090 20 10 EECDLP COCC[N@H+](C)CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001333143764 1327434559 /nfs/dbraw/zinc/43/45/59/1327434559.db2.gz LQZBAXKMCSGJHH-UHFFFAOYSA-N 2 2 349.244 2.352 20 10 EECDLP COCC[N@@H+](C)CCC[NH2+]Cc1cc(Br)cc(F)c1O ZINC001333143764 1327434561 /nfs/dbraw/zinc/43/45/61/1327434561.db2.gz LQZBAXKMCSGJHH-UHFFFAOYSA-N 2 2 349.244 2.352 20 10 EECDLP Cc1cc(Br)c(O)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC001308223433 1331574507 /nfs/dbraw/zinc/57/45/07/1331574507.db2.gz YAQIKKYEOUGEIU-ZDUSSCGKSA-N 2 2 343.265 2.009 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001755237939 1407246535 /nfs/dbraw/zinc/24/65/35/1407246535.db2.gz QVGJHHQCPTVJPA-LSDHHAIUSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001755237939 1407246540 /nfs/dbraw/zinc/24/65/40/1407246540.db2.gz QVGJHHQCPTVJPA-LSDHHAIUSA-N 2 2 344.459 2.342 20 10 EECDLP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817887723 785022448 /nfs/dbraw/zinc/02/24/48/785022448.db2.gz CWLLDMDUNVVFSN-OALUTQOASA-N 2 2 347.528 2.096 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@H]1CCCC[NH2+]1 ZINC000817890763 785023675 /nfs/dbraw/zinc/02/36/75/785023675.db2.gz YMPINXSORMYQPJ-KVSKMBFKSA-N 2 2 344.503 2.009 20 10 EECDLP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(OC)c1 ZINC001169155171 803638974 /nfs/dbraw/zinc/63/89/74/803638974.db2.gz ZBCMKBGWBZBHMM-FVQHAEBGSA-N 2 2 345.487 2.451 20 10 EECDLP COc1ccc(N2CC[NH+]([C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(OC)c1 ZINC001169155171 803638977 /nfs/dbraw/zinc/63/89/77/803638977.db2.gz ZBCMKBGWBZBHMM-FVQHAEBGSA-N 2 2 345.487 2.451 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3[nH]ncc3C)CC2)cc1 ZINC000290019023 464105359 /nfs/dbraw/zinc/10/53/59/464105359.db2.gz UYZLVUQBYACVQM-UHFFFAOYSA-N 2 2 343.475 2.029 20 10 EECDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571379 527836675 /nfs/dbraw/zinc/83/66/75/527836675.db2.gz YIWSNRVBRHOIIL-SFHVURJKSA-N 2 2 346.519 2.033 20 10 EECDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571379 527836680 /nfs/dbraw/zinc/83/66/80/527836680.db2.gz YIWSNRVBRHOIIL-SFHVURJKSA-N 2 2 346.519 2.033 20 10 EECDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571379 527836683 /nfs/dbraw/zinc/83/66/83/527836683.db2.gz YIWSNRVBRHOIIL-SFHVURJKSA-N 2 2 346.519 2.033 20 10 EECDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000081571379 527836687 /nfs/dbraw/zinc/83/66/87/527836687.db2.gz YIWSNRVBRHOIIL-SFHVURJKSA-N 2 2 346.519 2.033 20 10 EECDLP Oc1c(F)cc(Cl)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000775644750 577441696 /nfs/dbraw/zinc/44/16/96/577441696.db2.gz SHNTWMWLDAGBGH-UHFFFAOYSA-N 2 2 341.858 2.398 20 10 EECDLP C[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775668739 577442227 /nfs/dbraw/zinc/44/22/27/577442227.db2.gz JTOJPPLONRVRMF-UHFFFAOYSA-N 2 2 333.476 2.212 20 10 EECDLP C[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775668739 577442228 /nfs/dbraw/zinc/44/22/28/577442228.db2.gz JTOJPPLONRVRMF-UHFFFAOYSA-N 2 2 333.476 2.212 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@@H]3CCCO3)CC2)cc1 ZINC000753609745 577790681 /nfs/dbraw/zinc/79/06/81/577790681.db2.gz GZEDLHJJEZHHRN-XLIONFOSSA-N 2 2 347.503 2.364 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(OC)c(C)cc3O)CC2)c1 ZINC000160153891 674581060 /nfs/dbraw/zinc/58/10/60/674581060.db2.gz LLSFEARICOGECQ-UHFFFAOYSA-N 2 2 343.427 2.435 20 10 EECDLP COC[C@@]1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCC[NH2+]1 ZINC000841067066 693257001 /nfs/dbraw/zinc/25/70/01/693257001.db2.gz JGKQOBQAHKTXJN-HNNXBMFYSA-N 2 2 343.265 2.321 20 10 EECDLP CC(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)N1CC[NH+](C)CC1 ZINC000882886780 1201968900 /nfs/dbraw/zinc/96/89/00/1201968900.db2.gz LLXSICXTSWGFIG-INIZCTEOSA-N 2 2 327.419 2.032 20 10 EECDLP Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001275267632 1205294698 /nfs/dbraw/zinc/29/46/98/1205294698.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 3 2 340.471 2.433 20 10 EECDLP CC[C@@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000924579635 1205999135 /nfs/dbraw/zinc/99/91/35/1205999135.db2.gz MEAJKXUOEJBQDY-XLIONFOSSA-N 2 2 347.503 2.222 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)cc(OC)cc3O)CC2)c1 ZINC001236815458 1305687861 /nfs/dbraw/zinc/68/78/61/1305687861.db2.gz LYEQOOQPTQSYFV-UHFFFAOYSA-N 2 2 343.427 2.435 20 10 EECDLP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c(O)c1 ZINC001140852474 1314975755 /nfs/dbraw/zinc/97/57/55/1314975755.db2.gz PITVLUUSHKRSBZ-FXAWDEMLSA-N 2 2 347.503 2.391 20 10 EECDLP CCN(CC)c1ccc(C[N@H+]2C[C@@H]3C[NH+](CC)CCO[C@@H]3C2)c(O)c1 ZINC001140852474 1314975757 /nfs/dbraw/zinc/97/57/57/1314975757.db2.gz PITVLUUSHKRSBZ-FXAWDEMLSA-N 2 2 347.503 2.391 20 10 EECDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@H+](CC)CCO[C@@H]3C2)c(O)c1 ZINC001140852474 1314975760 /nfs/dbraw/zinc/97/57/60/1314975760.db2.gz PITVLUUSHKRSBZ-FXAWDEMLSA-N 2 2 347.503 2.391 20 10 EECDLP CCN(CC)c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)c(O)c1 ZINC001140852474 1314975762 /nfs/dbraw/zinc/97/57/62/1314975762.db2.gz PITVLUUSHKRSBZ-FXAWDEMLSA-N 2 2 347.503 2.391 20 10 EECDLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1cccc(=O)[nH]1 ZINC001333874269 1336159263 /nfs/dbraw/zinc/15/92/63/1336159263.db2.gz URJZEYGYLDWKTP-UHFFFAOYSA-N 2 2 344.434 2.310 20 10 EECDLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cc1cccc(=O)[nH]1 ZINC001333874269 1336159265 /nfs/dbraw/zinc/15/92/65/1336159265.db2.gz URJZEYGYLDWKTP-UHFFFAOYSA-N 2 2 344.434 2.310 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)c1ccn(C)n1 ZINC001344567735 1337400992 /nfs/dbraw/zinc/40/09/92/1337400992.db2.gz KYXIHSGJVYFLSK-AWEZNQCLSA-N 2 2 331.439 2.162 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001755237937 1407246126 /nfs/dbraw/zinc/24/61/26/1407246126.db2.gz QVGJHHQCPTVJPA-GJZGRUSLSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001755237937 1407246134 /nfs/dbraw/zinc/24/61/34/1407246134.db2.gz QVGJHHQCPTVJPA-GJZGRUSLSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(O)c([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000817951005 785103378 /nfs/dbraw/zinc/10/33/78/785103378.db2.gz AADDLYJJDXDMGA-ZDUSSCGKSA-N 2 2 328.416 2.379 20 10 EECDLP CCN(C)c1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cc1 ZINC000160377502 463332862 /nfs/dbraw/zinc/33/28/62/463332862.db2.gz BXONNCKBJGYRKW-MRXNPFEDSA-N 2 2 346.519 2.346 20 10 EECDLP COc1ccc(N2CC[NH+](CCCNc3cc(C)[nH+]cn3)CC2)cc1 ZINC000301237220 465928335 /nfs/dbraw/zinc/92/83/35/465928335.db2.gz KSKCTOLVRDEVLC-UHFFFAOYSA-N 2 2 341.459 2.418 20 10 EECDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787951 577707691 /nfs/dbraw/zinc/70/76/91/577707691.db2.gz OUJOGOJNTDNGBU-OTYXRUKQSA-N 2 2 347.228 2.011 20 10 EECDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787951 577707692 /nfs/dbraw/zinc/70/76/92/577707692.db2.gz OUJOGOJNTDNGBU-OTYXRUKQSA-N 2 2 347.228 2.011 20 10 EECDLP CCc1ccc(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c(O)c1 ZINC001276805106 1298021079 /nfs/dbraw/zinc/02/10/79/1298021079.db2.gz REFQHLRHPGDYEC-PKOBYXMFSA-N 2 2 340.471 2.357 20 10 EECDLP CCc1ccc(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c(O)c1 ZINC001276805106 1298021083 /nfs/dbraw/zinc/02/10/83/1298021083.db2.gz REFQHLRHPGDYEC-PKOBYXMFSA-N 2 2 340.471 2.357 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(Oc4cccnc4)C3)cc2)CC1 ZINC001139409377 1314740884 /nfs/dbraw/zinc/74/08/84/1314740884.db2.gz KOXUCOGJDWCLMG-UHFFFAOYSA-N 2 2 338.455 2.097 20 10 EECDLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc(OC)c1O ZINC000841043295 1315461144 /nfs/dbraw/zinc/46/11/44/1315461144.db2.gz QSHPKPDXJIQRMM-MRXNPFEDSA-N 2 2 345.443 2.265 20 10 EECDLP COc1cc(O)c(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841041694 1315461301 /nfs/dbraw/zinc/46/13/01/1315461301.db2.gz ADTWTFSCHOWKDN-INIZCTEOSA-N 2 2 345.443 2.265 20 10 EECDLP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3O)(C1)CCC2 ZINC001276538074 1324002870 /nfs/dbraw/zinc/00/28/70/1324002870.db2.gz RXZPZKZRSXWFBQ-MOPGFXCFSA-N 2 2 349.450 2.144 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204583 1331572122 /nfs/dbraw/zinc/57/21/22/1331572122.db2.gz ACRRMGMCQRUGOM-VQTJNVASSA-N 3 2 328.504 2.155 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204583 1331572126 /nfs/dbraw/zinc/57/21/26/1331572126.db2.gz ACRRMGMCQRUGOM-VQTJNVASSA-N 3 2 328.504 2.155 20 10 EECDLP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1O ZINC001590463705 1349340559 /nfs/dbraw/zinc/34/05/59/1349340559.db2.gz LAQHXZCMEROTGM-OAHLLOKOSA-N 2 2 344.463 2.345 20 10 EECDLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2O)CC1 ZINC001603294427 1350682118 /nfs/dbraw/zinc/68/21/18/1350682118.db2.gz BNQFVNCTRGFMGB-ZDUSSCGKSA-N 2 2 344.463 2.343 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001139130413 1372463351 /nfs/dbraw/zinc/46/33/51/1372463351.db2.gz DJJCMZSWRRNFNB-UHFFFAOYSA-N 2 2 328.412 2.335 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817890762 785024346 /nfs/dbraw/zinc/02/43/46/785024346.db2.gz YMPINXSORMYQPJ-IEZWGBDMSA-N 2 2 344.503 2.009 20 10 EECDLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Br)ccc1O ZINC000817982396 785130818 /nfs/dbraw/zinc/13/08/18/785130818.db2.gz DFDXCOVBUGGERI-DGCLKSJQSA-N 2 2 329.238 2.184 20 10 EECDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1O ZINC000817982091 785131574 /nfs/dbraw/zinc/13/15/74/785131574.db2.gz PLHGZGNRSBSEHT-KOLCDFICSA-N 2 2 347.228 2.323 20 10 EECDLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000297775485 465268935 /nfs/dbraw/zinc/26/89/35/465268935.db2.gz ACCLAFJKTTTXIB-UHFFFAOYSA-N 2 2 346.519 2.175 20 10 EECDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000297775485 465268941 /nfs/dbraw/zinc/26/89/41/465268941.db2.gz ACCLAFJKTTTXIB-UHFFFAOYSA-N 2 2 346.519 2.175 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)c1O ZINC000097095758 463321773 /nfs/dbraw/zinc/32/17/73/463321773.db2.gz UBPAARONCGZSRS-SKDRFNHKSA-N 2 2 329.238 2.475 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c1O ZINC000097095758 463321776 /nfs/dbraw/zinc/32/17/76/463321776.db2.gz UBPAARONCGZSRS-SKDRFNHKSA-N 2 2 329.238 2.475 20 10 EECDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c(F)c1O ZINC000276914274 463805868 /nfs/dbraw/zinc/80/58/68/463805868.db2.gz LHXDXOGLTDHLGO-STQMWFEESA-N 2 2 327.419 2.347 20 10 EECDLP Cc1cc(Br)cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000194542980 463881374 /nfs/dbraw/zinc/88/13/74/463881374.db2.gz IONLNSBLUPZYRM-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(Br)cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC000194542980 463881386 /nfs/dbraw/zinc/88/13/86/463881386.db2.gz IONLNSBLUPZYRM-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000278327945 463963085 /nfs/dbraw/zinc/96/30/85/463963085.db2.gz YWBANFXSSMHSHS-LBPRGKRZSA-N 2 2 332.360 2.412 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000278327945 463963092 /nfs/dbraw/zinc/96/30/92/463963092.db2.gz YWBANFXSSMHSHS-LBPRGKRZSA-N 2 2 332.360 2.412 20 10 EECDLP Cc1cccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1O ZINC000293742110 464418792 /nfs/dbraw/zinc/41/87/92/464418792.db2.gz VYQGSVQVBFBQQS-LJQANCHMSA-N 2 2 326.440 2.209 20 10 EECDLP Cc1cccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1O ZINC000293742110 464418797 /nfs/dbraw/zinc/41/87/97/464418797.db2.gz VYQGSVQVBFBQQS-LJQANCHMSA-N 2 2 326.440 2.209 20 10 EECDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360965 464711970 /nfs/dbraw/zinc/71/19/70/464711970.db2.gz AGLQDWKCABIICZ-RDTXWAMCSA-N 2 2 345.487 2.261 20 10 EECDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360965 464711976 /nfs/dbraw/zinc/71/19/76/464711976.db2.gz AGLQDWKCABIICZ-RDTXWAMCSA-N 2 2 345.487 2.261 20 10 EECDLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000273621921 464722575 /nfs/dbraw/zinc/72/25/75/464722575.db2.gz ZKLHRVIZJIBPJG-DOTOQJQBSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(O)c1 ZINC000273621921 464722583 /nfs/dbraw/zinc/72/25/83/464722583.db2.gz ZKLHRVIZJIBPJG-DOTOQJQBSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000359958884 465511090 /nfs/dbraw/zinc/51/10/90/465511090.db2.gz LGKJJYNUQUQYFW-MSOLQXFVSA-N 2 2 347.503 2.066 20 10 EECDLP Cc1nc(C(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000771830865 577233306 /nfs/dbraw/zinc/23/33/06/577233306.db2.gz SSMLMLJKDYHOBR-UHFFFAOYSA-N 2 2 329.448 2.155 20 10 EECDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000765416948 577500640 /nfs/dbraw/zinc/50/06/40/577500640.db2.gz OUSCLCNGOYVTNN-KRWDZBQOSA-N 2 2 344.503 2.102 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]c[nH+]c3C)C2)cc1C ZINC001020981152 675628691 /nfs/dbraw/zinc/62/86/91/675628691.db2.gz ADXRSULUPZETPT-WKILWMFISA-N 2 2 342.443 2.015 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cn1cccn1 ZINC000873109070 1198501573 /nfs/dbraw/zinc/50/15/73/1198501573.db2.gz CYKHLLJLYYFLGB-KRWDZBQOSA-N 2 2 337.427 2.241 20 10 EECDLP Oc1cccc(Br)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000858106947 1294008272 /nfs/dbraw/zinc/00/82/72/1294008272.db2.gz UQBAXZLXDGQOHJ-UHFFFAOYSA-N 2 2 343.265 2.091 20 10 EECDLP COc1cc(O)c(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000841041695 1315461556 /nfs/dbraw/zinc/46/15/56/1315461556.db2.gz ADTWTFSCHOWKDN-MRXNPFEDSA-N 2 2 345.443 2.265 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC001203672892 1321937871 /nfs/dbraw/zinc/93/78/71/1321937871.db2.gz HZEDYOIPTQCKJD-IRXDYDNUSA-N 2 2 339.439 2.360 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204810705 1322229855 /nfs/dbraw/zinc/22/98/55/1322229855.db2.gz YRFUHMZJHYEHHA-SFHVURJKSA-N 2 2 336.432 2.037 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204810705 1322229858 /nfs/dbraw/zinc/22/98/58/1322229858.db2.gz YRFUHMZJHYEHHA-SFHVURJKSA-N 2 2 336.432 2.037 20 10 EECDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809757402 783364673 /nfs/dbraw/zinc/36/46/73/783364673.db2.gz RVZAUWXUKGTUJD-UHFFFAOYSA-N 2 2 325.409 2.473 20 10 EECDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000809757402 783364687 /nfs/dbraw/zinc/36/46/87/783364687.db2.gz RVZAUWXUKGTUJD-UHFFFAOYSA-N 2 2 325.409 2.473 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012827 /nfs/dbraw/zinc/01/28/27/464012827.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012831 /nfs/dbraw/zinc/01/28/31/464012831.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012833 /nfs/dbraw/zinc/01/28/33/464012833.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 2 2 335.404 2.225 20 10 EECDLP Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CC2 ZINC000295904049 465001239 /nfs/dbraw/zinc/00/12/39/465001239.db2.gz IUVVLVXANIXWOV-MOPGFXCFSA-N 2 2 338.451 2.388 20 10 EECDLP Oc1cccc2c1[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CC2 ZINC000295904049 465001243 /nfs/dbraw/zinc/00/12/43/465001243.db2.gz IUVVLVXANIXWOV-MOPGFXCFSA-N 2 2 338.451 2.388 20 10 EECDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569339 577847050 /nfs/dbraw/zinc/84/70/50/577847050.db2.gz MUIKDEPHWSAFCY-YPMHNXCESA-N 2 2 342.281 2.051 20 10 EECDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569339 577847051 /nfs/dbraw/zinc/84/70/51/577847051.db2.gz MUIKDEPHWSAFCY-YPMHNXCESA-N 2 2 342.281 2.051 20 10 EECDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569336 577847061 /nfs/dbraw/zinc/84/70/61/577847061.db2.gz MUIKDEPHWSAFCY-AAEUAGOBSA-N 2 2 342.281 2.051 20 10 EECDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1O ZINC000756569336 577847062 /nfs/dbraw/zinc/84/70/62/577847062.db2.gz MUIKDEPHWSAFCY-AAEUAGOBSA-N 2 2 342.281 2.051 20 10 EECDLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(O)c(OC)c1 ZINC001237680886 1306042134 /nfs/dbraw/zinc/04/21/34/1306042134.db2.gz MXNYURPTOOGNGD-HNNXBMFYSA-N 2 2 330.384 2.458 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2)CC1 ZINC001205832032 1323313246 /nfs/dbraw/zinc/31/32/46/1323313246.db2.gz YZBJRFCNNCBBNQ-XLIONFOSSA-N 3 2 330.520 2.388 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)CC[C@H]3C[NH3+])cc2)CC1 ZINC001205832032 1323313250 /nfs/dbraw/zinc/31/32/50/1323313250.db2.gz YZBJRFCNNCBBNQ-XLIONFOSSA-N 3 2 330.520 2.388 20 10 EECDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287574 1372557477 /nfs/dbraw/zinc/55/74/77/1372557477.db2.gz YXIOYXMKSSDPAR-PXNSSMCTSA-N 2 2 329.488 2.174 20 10 EECDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287574 1372557480 /nfs/dbraw/zinc/55/74/80/1372557480.db2.gz YXIOYXMKSSDPAR-PXNSSMCTSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287574 1372557482 /nfs/dbraw/zinc/55/74/82/1372557482.db2.gz YXIOYXMKSSDPAR-PXNSSMCTSA-N 2 2 329.488 2.174 20 10 EECDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287574 1372557484 /nfs/dbraw/zinc/55/74/84/1372557484.db2.gz YXIOYXMKSSDPAR-PXNSSMCTSA-N 2 2 329.488 2.174 20 10 EECDLP CN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1F ZINC000378353488 467275118 /nfs/dbraw/zinc/27/51/18/467275118.db2.gz GBHIEJOSBLWWHS-KRWDZBQOSA-N 2 2 334.483 2.104 20 10 EECDLP CN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1F ZINC000378353488 467275122 /nfs/dbraw/zinc/27/51/22/467275122.db2.gz GBHIEJOSBLWWHS-KRWDZBQOSA-N 2 2 334.483 2.104 20 10 EECDLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1n1cc[nH+]c1 ZINC000768463631 577556474 /nfs/dbraw/zinc/55/64/74/577556474.db2.gz KRWCBFHRWJEYED-SRCQZFHVSA-N 2 2 329.400 2.098 20 10 EECDLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1n1cc[nH+]c1 ZINC000768463631 577556475 /nfs/dbraw/zinc/55/64/75/577556475.db2.gz KRWCBFHRWJEYED-SRCQZFHVSA-N 2 2 329.400 2.098 20 10 EECDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000769999722 577588651 /nfs/dbraw/zinc/58/86/51/577588651.db2.gz BPNKJMBHCKDSOP-OLZOCXBDSA-N 2 2 327.419 2.347 20 10 EECDLP O=[N+]([O-])c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1N1CCCCC1 ZINC000770395103 577595346 /nfs/dbraw/zinc/59/53/46/577595346.db2.gz OUKGSIPSKUYFRO-IYBDPMFKSA-N 2 2 330.432 2.236 20 10 EECDLP O=[N+]([O-])c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1N1CCCCC1 ZINC000770395103 577595347 /nfs/dbraw/zinc/59/53/47/577595347.db2.gz OUKGSIPSKUYFRO-IYBDPMFKSA-N 2 2 330.432 2.236 20 10 EECDLP CC[C@@H]([NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883369922 1202054760 /nfs/dbraw/zinc/05/47/60/1202054760.db2.gz CLVYRPXQSRXKQK-IEBWSBKVSA-N 2 2 347.503 2.230 20 10 EECDLP Oc1c(Cl)cccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980090 1242842646 /nfs/dbraw/zinc/84/26/46/1242842646.db2.gz GZDNUUHCIPFVGC-IYBDPMFKSA-N 2 2 335.879 2.446 20 10 EECDLP Oc1c(Cl)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980090 1242842660 /nfs/dbraw/zinc/84/26/60/1242842660.db2.gz GZDNUUHCIPFVGC-IYBDPMFKSA-N 2 2 335.879 2.446 20 10 EECDLP COc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(OC)c1 ZINC001246947914 1310474055 /nfs/dbraw/zinc/47/40/55/1310474055.db2.gz MUMHFMLGVOGTMK-XYPWUTKMSA-N 2 2 331.460 2.109 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001139132607 1314709102 /nfs/dbraw/zinc/70/91/02/1314709102.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 2 328.412 2.335 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001139132607 1314709104 /nfs/dbraw/zinc/70/91/04/1314709104.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 2 328.412 2.335 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001139132607 1314709106 /nfs/dbraw/zinc/70/91/06/1314709106.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 2 328.412 2.335 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001139132607 1314709109 /nfs/dbraw/zinc/70/91/09/1314709109.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 2 328.412 2.335 20 10 EECDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664593 1314925236 /nfs/dbraw/zinc/92/52/36/1314925236.db2.gz MXHRGBSTNGUDGY-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664593 1314925237 /nfs/dbraw/zinc/92/52/37/1314925237.db2.gz MXHRGBSTNGUDGY-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664593 1314925240 /nfs/dbraw/zinc/92/52/40/1314925240.db2.gz MXHRGBSTNGUDGY-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664593 1314925244 /nfs/dbraw/zinc/92/52/44/1314925244.db2.gz MXHRGBSTNGUDGY-IBGZPJMESA-N 2 2 333.451 2.190 20 10 EECDLP COc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1O ZINC001203591253 1321918361 /nfs/dbraw/zinc/91/83/61/1321918361.db2.gz FJNVWJFGSRYZHC-IAGOWNOFSA-N 2 2 339.439 2.360 20 10 EECDLP CCOc1cccc(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c1O ZINC001203615721 1321923939 /nfs/dbraw/zinc/92/39/39/1321923939.db2.gz ZAHUUASGQPXERH-UHFFFAOYSA-N 2 2 347.503 2.250 20 10 EECDLP C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000817890764 785024337 /nfs/dbraw/zinc/02/43/37/785024337.db2.gz YMPINXSORMYQPJ-SUMDDJOVSA-N 2 2 344.503 2.009 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000818941495 785333985 /nfs/dbraw/zinc/33/39/85/785333985.db2.gz KLQINDLIAYHXKJ-HXUWFJFHSA-N 2 2 327.472 2.335 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000818941495 785333995 /nfs/dbraw/zinc/33/39/95/785333995.db2.gz KLQINDLIAYHXKJ-HXUWFJFHSA-N 2 2 327.472 2.335 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cncs3)CC2)cc1 ZINC000135829478 463200993 /nfs/dbraw/zinc/20/09/93/463200993.db2.gz SBLYQPYBKNWMLR-UHFFFAOYSA-N 2 2 346.500 2.454 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000368136291 466581706 /nfs/dbraw/zinc/58/17/06/466581706.db2.gz UPIYJXXGEUGGSD-LBPRGKRZSA-N 2 2 332.360 2.032 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000368136291 466581711 /nfs/dbraw/zinc/58/17/11/466581711.db2.gz UPIYJXXGEUGGSD-LBPRGKRZSA-N 2 2 332.360 2.032 20 10 EECDLP COC[C@]1(C[NH2+]Cc2cc(C)cc(Br)c2O)CCC[NH2+]1 ZINC000841067067 693256513 /nfs/dbraw/zinc/25/65/13/693256513.db2.gz JGKQOBQAHKTXJN-OAHLLOKOSA-N 2 2 343.265 2.321 20 10 EECDLP COc1cc(Cl)cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1O ZINC000827884740 1248921099 /nfs/dbraw/zinc/92/10/99/1248921099.db2.gz GULRZBCLRNKVQF-UHFFFAOYSA-N 2 2 336.823 2.110 20 10 EECDLP CCOC(=O)c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1C ZINC001235184881 1305141549 /nfs/dbraw/zinc/14/15/49/1305141549.db2.gz QPSITRUJHXNQDX-CABCVRRESA-N 2 2 341.455 2.396 20 10 EECDLP CCOC(=O)c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2n1C ZINC001235184881 1305141555 /nfs/dbraw/zinc/14/15/55/1305141555.db2.gz QPSITRUJHXNQDX-CABCVRRESA-N 2 2 341.455 2.396 20 10 EECDLP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1Br ZINC001237681478 1306044782 /nfs/dbraw/zinc/04/47/82/1306044782.db2.gz IUBMVZOXSALQGY-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1Br ZINC001237681478 1306044792 /nfs/dbraw/zinc/04/47/92/1306044792.db2.gz IUBMVZOXSALQGY-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1Br ZINC001237681478 1306044808 /nfs/dbraw/zinc/04/48/08/1306044808.db2.gz IUBMVZOXSALQGY-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP Cc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1Br ZINC001237681478 1306044820 /nfs/dbraw/zinc/04/48/20/1306044820.db2.gz IUBMVZOXSALQGY-BETUJISGSA-N 2 2 325.250 2.457 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C)nn3)cc2F)CC1 ZINC000840895710 1315429844 /nfs/dbraw/zinc/42/98/44/1315429844.db2.gz SLVHIUSULCFNOE-UHFFFAOYSA-N 2 2 343.450 2.356 20 10 EECDLP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157435635 1318640635 /nfs/dbraw/zinc/64/06/35/1318640635.db2.gz UMAWIVUJTOKQFS-WMLDXEAASA-N 2 2 342.443 2.042 20 10 EECDLP COc1ccc(O)c(C[NH+]2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001203675141 1321938289 /nfs/dbraw/zinc/93/82/89/1321938289.db2.gz OMLYKKYLFMATJN-UHFFFAOYSA-N 2 2 328.416 2.130 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205558889 1323195366 /nfs/dbraw/zinc/19/53/66/1323195366.db2.gz LAVMYHQTQLNFFM-GOSISDBHSA-N 2 2 334.391 2.460 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205558889 1323195372 /nfs/dbraw/zinc/19/53/72/1323195372.db2.gz LAVMYHQTQLNFFM-GOSISDBHSA-N 2 2 334.391 2.460 20 10 EECDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723864 1332583015 /nfs/dbraw/zinc/58/30/15/1332583015.db2.gz FKAUPDXRZVGROR-DOTOQJQBSA-N 3 2 334.483 2.150 20 10 EECDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723864 1332583017 /nfs/dbraw/zinc/58/30/17/1332583017.db2.gz FKAUPDXRZVGROR-DOTOQJQBSA-N 3 2 334.483 2.150 20 10 EECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c1O ZINC000779024465 784029112 /nfs/dbraw/zinc/02/91/12/784029112.db2.gz MSXNFMDBGXGJDC-PWSUYJOCSA-N 2 2 331.254 2.036 20 10 EECDLP [NH3+][C@H]1CC[N@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1F ZINC001206200444 797449049 /nfs/dbraw/zinc/44/90/49/797449049.db2.gz RQTULKKFWURPMJ-QWRGUYRKSA-N 2 2 333.201 2.122 20 10 EECDLP [NH3+][C@H]1CC[N@@H+](Cc2cc(O)c(Br)cc2O)CC[C@@H]1F ZINC001206200444 797449053 /nfs/dbraw/zinc/44/90/53/797449053.db2.gz RQTULKKFWURPMJ-QWRGUYRKSA-N 2 2 333.201 2.122 20 10 EECDLP CCOc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000093017463 237044415 /nfs/dbraw/zinc/04/44/15/237044415.db2.gz NJFSZTPFOFFEEM-MRXNPFEDSA-N 2 2 334.460 2.335 20 10 EECDLP CCOc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1O ZINC000093017463 237044427 /nfs/dbraw/zinc/04/44/27/237044427.db2.gz NJFSZTPFOFFEEM-MRXNPFEDSA-N 2 2 334.460 2.335 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](N4CCCCC4)C3)cc2)CC1 ZINC000775677824 577442547 /nfs/dbraw/zinc/44/25/47/577442547.db2.gz RSESKUSSUZQRHP-OAQYLSRUSA-N 2 2 342.531 2.499 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N4CCCCC4)C3)cc2)CC1 ZINC000775677824 577442548 /nfs/dbraw/zinc/44/25/48/577442548.db2.gz RSESKUSSUZQRHP-OAQYLSRUSA-N 2 2 342.531 2.499 20 10 EECDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790396 577707803 /nfs/dbraw/zinc/70/78/03/577707803.db2.gz ZDNIQBDKVFYIFQ-OTYXRUKQSA-N 2 2 347.228 2.011 20 10 EECDLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790396 577707804 /nfs/dbraw/zinc/70/78/04/577707804.db2.gz ZDNIQBDKVFYIFQ-OTYXRUKQSA-N 2 2 347.228 2.011 20 10 EECDLP CN(CC[N@H+](C)Cc1cc(F)cc(F)c1O)C1CC[NH+](C)CC1 ZINC000894767454 683081492 /nfs/dbraw/zinc/08/14/92/683081492.db2.gz ZGGKQQWZHUZPJZ-UHFFFAOYSA-N 2 2 327.419 2.128 20 10 EECDLP CN(CC[N@@H+](C)Cc1cc(F)cc(F)c1O)C1CC[NH+](C)CC1 ZINC000894767454 683081497 /nfs/dbraw/zinc/08/14/97/683081497.db2.gz ZGGKQQWZHUZPJZ-UHFFFAOYSA-N 2 2 327.419 2.128 20 10 EECDLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766103 1304575594 /nfs/dbraw/zinc/57/55/94/1304575594.db2.gz SQXDJDDLKRWRPS-CJNGLKHVSA-N 2 2 337.439 2.159 20 10 EECDLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766103 1304575598 /nfs/dbraw/zinc/57/55/98/1304575598.db2.gz SQXDJDDLKRWRPS-CJNGLKHVSA-N 2 2 337.439 2.159 20 10 EECDLP CCOC(=O)[C@]12C[N@H+](Cc3ccc(Cl)cc3O)C[C@H]1C[NH2+]CC2 ZINC001236039627 1305482259 /nfs/dbraw/zinc/48/22/59/1305482259.db2.gz WZSQACRDUHTFKH-CXAGYDPISA-N 2 2 338.835 2.020 20 10 EECDLP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(Cl)cc3O)C[C@H]1C[NH2+]CC2 ZINC001236039627 1305482269 /nfs/dbraw/zinc/48/22/69/1305482269.db2.gz WZSQACRDUHTFKH-CXAGYDPISA-N 2 2 338.835 2.020 20 10 EECDLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(I)c1O ZINC001236884993 1305709509 /nfs/dbraw/zinc/70/95/09/1305709509.db2.gz XKIZSBPWUUAFKJ-JTQLQIEISA-N 2 2 334.201 2.166 20 10 EECDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(I)c1O ZINC001236884993 1305709517 /nfs/dbraw/zinc/70/95/17/1305709517.db2.gz XKIZSBPWUUAFKJ-JTQLQIEISA-N 2 2 334.201 2.166 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc2)CC1 ZINC000841039381 1315460480 /nfs/dbraw/zinc/46/04/80/1315460480.db2.gz MVHLMEASVMDNIY-HXUWFJFHSA-N 3 2 330.520 2.436 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CN)C3CCCCC3)cc2)CC1 ZINC000841039381 1315460486 /nfs/dbraw/zinc/46/04/86/1315460486.db2.gz MVHLMEASVMDNIY-HXUWFJFHSA-N 2 2 330.520 2.436 20 10 EECDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843121942 1315847892 /nfs/dbraw/zinc/84/78/92/1315847892.db2.gz MCHQBPHQLJPISW-LLVKDONJSA-N 2 2 343.830 2.004 20 10 EECDLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000843121942 1315847895 /nfs/dbraw/zinc/84/78/95/1315847895.db2.gz MCHQBPHQLJPISW-LLVKDONJSA-N 2 2 343.830 2.004 20 10 EECDLP Oc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001204272735 1322098433 /nfs/dbraw/zinc/09/84/33/1322098433.db2.gz HVQFSROAOAPPOM-IRXDYDNUSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1c(F)cccc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276538115 1324003572 /nfs/dbraw/zinc/00/35/72/1324003572.db2.gz TVGAMYMJGDIAEL-UHFFFAOYSA-N 2 2 330.407 2.352 20 10 EECDLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952568 1372726352 /nfs/dbraw/zinc/72/63/52/1372726352.db2.gz XQCSCLDBZGXTKS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952568 1372726357 /nfs/dbraw/zinc/72/63/57/1372726357.db2.gz XQCSCLDBZGXTKS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952568 1372726361 /nfs/dbraw/zinc/72/63/61/1372726361.db2.gz XQCSCLDBZGXTKS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952568 1372726368 /nfs/dbraw/zinc/72/63/68/1372726368.db2.gz XQCSCLDBZGXTKS-HXUWFJFHSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766500 790520656 /nfs/dbraw/zinc/52/06/56/790520656.db2.gz SSIKCINAPWUXKS-FQEVSTJZSA-N 2 2 349.519 2.048 20 10 EECDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766500 790520664 /nfs/dbraw/zinc/52/06/64/790520664.db2.gz SSIKCINAPWUXKS-FQEVSTJZSA-N 2 2 349.519 2.048 20 10 EECDLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766500 790520667 /nfs/dbraw/zinc/52/06/67/790520667.db2.gz SSIKCINAPWUXKS-FQEVSTJZSA-N 2 2 349.519 2.048 20 10 EECDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000846766500 790520679 /nfs/dbraw/zinc/52/06/79/790520679.db2.gz SSIKCINAPWUXKS-FQEVSTJZSA-N 2 2 349.519 2.048 20 10 EECDLP COCC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846805502 790625920 /nfs/dbraw/zinc/62/59/20/790625920.db2.gz XNPOGLHZSWRXBO-GOSISDBHSA-N 2 2 336.476 2.076 20 10 EECDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C1CCCC1 ZINC000846805502 790625923 /nfs/dbraw/zinc/62/59/23/790625923.db2.gz XNPOGLHZSWRXBO-GOSISDBHSA-N 2 2 336.476 2.076 20 10 EECDLP COCC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000846805502 790625927 /nfs/dbraw/zinc/62/59/27/790625927.db2.gz XNPOGLHZSWRXBO-GOSISDBHSA-N 2 2 336.476 2.076 20 10 EECDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000846805502 790625929 /nfs/dbraw/zinc/62/59/29/790625929.db2.gz XNPOGLHZSWRXBO-GOSISDBHSA-N 2 2 336.476 2.076 20 10 EECDLP C[C@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1c[nH+]ccc1N ZINC000817935332 785080272 /nfs/dbraw/zinc/08/02/72/785080272.db2.gz MZABEBPSTFSKTJ-LBPRGKRZSA-N 2 2 348.397 2.460 20 10 EECDLP CCOC(=O)C[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1O ZINC000823576791 787805185 /nfs/dbraw/zinc/80/51/85/787805185.db2.gz ZHBMDMDHKLOVQX-UHFFFAOYSA-N 2 2 331.416 2.353 20 10 EECDLP CCOC(=O)C[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1O ZINC000823576791 787805194 /nfs/dbraw/zinc/80/51/94/787805194.db2.gz ZHBMDMDHKLOVQX-UHFFFAOYSA-N 2 2 331.416 2.353 20 10 EECDLP COc1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cc1C ZINC001130269117 811382678 /nfs/dbraw/zinc/38/26/78/811382678.db2.gz ZPENCKARBAIRLT-UHFFFAOYSA-N 2 2 338.411 2.400 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277136001 463885472 /nfs/dbraw/zinc/88/54/72/463885472.db2.gz ISUXVWJVRAAGHI-SFHVURJKSA-N 2 2 346.519 2.127 20 10 EECDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277136001 463885476 /nfs/dbraw/zinc/88/54/76/463885476.db2.gz ISUXVWJVRAAGHI-SFHVURJKSA-N 2 2 346.519 2.127 20 10 EECDLP COc1c(O)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000278245128 463959538 /nfs/dbraw/zinc/95/95/38/463959538.db2.gz OOLNANCYTAABCG-UHFFFAOYSA-N 2 2 332.360 2.343 20 10 EECDLP CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(O)c1 ZINC000529663969 467891883 /nfs/dbraw/zinc/89/18/83/467891883.db2.gz OSMCTFADBODHHI-UHFFFAOYSA-N 2 2 334.460 2.478 20 10 EECDLP CC[N@H+](C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000754043975 577799134 /nfs/dbraw/zinc/79/91/34/577799134.db2.gz WRFAFAQIJLRSIU-LJQANCHMSA-N 2 2 347.503 2.053 20 10 EECDLP CC[N@@H+](C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CCC1 ZINC000754043975 577799135 /nfs/dbraw/zinc/79/91/35/577799135.db2.gz WRFAFAQIJLRSIU-LJQANCHMSA-N 2 2 347.503 2.053 20 10 EECDLP Cc1ccc(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c(O)c1 ZINC001276168223 1205811072 /nfs/dbraw/zinc/81/10/72/1205811072.db2.gz CTIUSOWSZZBAMW-FUHWJXTLSA-N 2 2 326.444 2.103 20 10 EECDLP Cc1ccc(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c(O)c1 ZINC001276168223 1205811073 /nfs/dbraw/zinc/81/10/73/1205811073.db2.gz CTIUSOWSZZBAMW-FUHWJXTLSA-N 2 2 326.444 2.103 20 10 EECDLP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)ccc2O1 ZINC001222515558 1299652689 /nfs/dbraw/zinc/65/26/89/1299652689.db2.gz VTCBAZLGZDXLME-IRXDYDNUSA-N 2 2 343.471 2.102 20 10 EECDLP CC1(C)C=Cc2c(O)c(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)ccc2O1 ZINC001222515558 1299652692 /nfs/dbraw/zinc/65/26/92/1299652692.db2.gz VTCBAZLGZDXLME-IRXDYDNUSA-N 2 2 343.471 2.102 20 10 EECDLP CC1(C)C=Cc2c(O)c(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)ccc2O1 ZINC001222515558 1299652695 /nfs/dbraw/zinc/65/26/95/1299652695.db2.gz VTCBAZLGZDXLME-IRXDYDNUSA-N 2 2 343.471 2.102 20 10 EECDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4cccc(O)c4C3)s2)CC1 ZINC001139325353 1314731848 /nfs/dbraw/zinc/73/18/48/1314731848.db2.gz LFLBBNJFAXKHSG-UHFFFAOYSA-N 2 2 344.484 2.159 20 10 EECDLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4cccc(O)c4C3)s2)CC1 ZINC001139325353 1314731852 /nfs/dbraw/zinc/73/18/52/1314731852.db2.gz LFLBBNJFAXKHSG-UHFFFAOYSA-N 2 2 344.484 2.159 20 10 EECDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001253206346 1317797149 /nfs/dbraw/zinc/79/71/49/1317797149.db2.gz MNXJNXBNVARRGO-CYBMUJFWSA-N 2 2 337.851 2.386 20 10 EECDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001589956849 1349078214 /nfs/dbraw/zinc/07/82/14/1349078214.db2.gz PXQZKKHLMAQFKV-AVGNSLFASA-N 2 2 330.436 2.096 20 10 EECDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053898 1350841130 /nfs/dbraw/zinc/84/11/30/1350841130.db2.gz FWMUYBZNISHYIW-BBRMVZONSA-N 2 2 344.463 2.345 20 10 EECDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc(-c2nn[nH]n2)c1O ZINC001604053898 1350841131 /nfs/dbraw/zinc/84/11/31/1350841131.db2.gz FWMUYBZNISHYIW-BBRMVZONSA-N 2 2 344.463 2.345 20 10 EECDLP CC[NH+]1C[C@H]2C[NH+](Cc3c(O)ccc4c(C)cc(=O)oc43)C[C@@H]2C1 ZINC001139130016 1372463630 /nfs/dbraw/zinc/46/36/30/1372463630.db2.gz NREDZHGESLMADI-KBPBESRZSA-N 2 2 328.412 2.191 20 10 EECDLP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1O ZINC000799724810 757002375 /nfs/dbraw/zinc/00/23/75/757002375.db2.gz AKXWPAQQTBUNDZ-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1O ZINC000799724810 757002385 /nfs/dbraw/zinc/00/23/85/757002385.db2.gz AKXWPAQQTBUNDZ-GFCCVEGCSA-N 2 2 327.419 2.347 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[S@]1=O ZINC000809700844 783291523 /nfs/dbraw/zinc/29/15/23/783291523.db2.gz PFHHYIKSGMZOKX-LSRZYVKLSA-N 2 2 349.544 2.170 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C)[S@]1=O ZINC000809700844 783291529 /nfs/dbraw/zinc/29/15/29/783291529.db2.gz PFHHYIKSGMZOKX-LSRZYVKLSA-N 2 2 349.544 2.170 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1C ZINC001135552257 783971334 /nfs/dbraw/zinc/97/13/34/783971334.db2.gz COLIVEJCXHWNPA-HUUCEWRRSA-N 2 2 344.459 2.342 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817903412 785056694 /nfs/dbraw/zinc/05/66/94/785056694.db2.gz OLBXCACUGCFGQZ-WOJBJXKFSA-N 2 2 345.487 2.021 20 10 EECDLP CC[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817934867 785079848 /nfs/dbraw/zinc/07/98/48/785079848.db2.gz KLQXHVFNFFTMCP-SJORKVTESA-N 2 2 339.430 2.422 20 10 EECDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391523 786725289 /nfs/dbraw/zinc/72/52/89/786725289.db2.gz NMCIPCYLPUFDQJ-MSOLQXFVSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391523 786725298 /nfs/dbraw/zinc/72/52/98/786725298.db2.gz NMCIPCYLPUFDQJ-MSOLQXFVSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391523 786725305 /nfs/dbraw/zinc/72/53/05/786725305.db2.gz NMCIPCYLPUFDQJ-MSOLQXFVSA-N 2 2 336.476 2.074 20 10 EECDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000821391523 786725309 /nfs/dbraw/zinc/72/53/09/786725309.db2.gz NMCIPCYLPUFDQJ-MSOLQXFVSA-N 2 2 336.476 2.074 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000194184196 463810921 /nfs/dbraw/zinc/81/09/21/463810921.db2.gz LJORRDHPJQBLNC-HXUWFJFHSA-N 2 2 345.487 2.490 20 10 EECDLP CCC[C@H](C)[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010174 577798526 /nfs/dbraw/zinc/79/85/26/577798526.db2.gz NMEPSAVPDVJBEP-HKUYNNGSSA-N 2 2 349.519 2.299 20 10 EECDLP CCC[C@H](C)[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754010174 577798527 /nfs/dbraw/zinc/79/85/27/577798527.db2.gz NMEPSAVPDVJBEP-HKUYNNGSSA-N 2 2 349.519 2.299 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883408 1305707732 /nfs/dbraw/zinc/70/77/32/1305707732.db2.gz FZBYYUWWWQRDIK-HNNXBMFYSA-N 2 2 338.448 2.283 20 10 EECDLP CCOC(=O)CCCOc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)c(O)c1 ZINC001236883408 1305707737 /nfs/dbraw/zinc/70/77/37/1305707737.db2.gz FZBYYUWWWQRDIK-HNNXBMFYSA-N 2 2 338.448 2.283 20 10 EECDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323738570 1333528688 /nfs/dbraw/zinc/52/86/88/1333528688.db2.gz AWVGAFWYLVRDAI-SFHVURJKSA-N 3 2 348.510 2.397 20 10 EECDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323738570 1333528689 /nfs/dbraw/zinc/52/86/89/1333528689.db2.gz AWVGAFWYLVRDAI-SFHVURJKSA-N 3 2 348.510 2.397 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1C ZINC001135799721 784464102 /nfs/dbraw/zinc/46/41/02/784464102.db2.gz XEYVXHRTKJBUJE-GJZGRUSLSA-N 2 2 344.459 2.342 20 10 EECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1O ZINC000817984533 785133159 /nfs/dbraw/zinc/13/31/59/785133159.db2.gz ZOHLNWDAZWCCHU-ZYHUDNBSSA-N 2 2 329.238 2.102 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000097095757 463321423 /nfs/dbraw/zinc/32/14/23/463321423.db2.gz UBPAARONCGZSRS-JOYOIKCWSA-N 2 2 329.238 2.475 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c1O ZINC000097095757 463321426 /nfs/dbraw/zinc/32/14/26/463321426.db2.gz UBPAARONCGZSRS-JOYOIKCWSA-N 2 2 329.238 2.475 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278236130 463959810 /nfs/dbraw/zinc/95/98/10/463959810.db2.gz NFDQXUNCQMYHJR-CYBMUJFWSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000278236130 463959814 /nfs/dbraw/zinc/95/98/14/463959814.db2.gz NFDQXUNCQMYHJR-CYBMUJFWSA-N 2 2 335.404 2.227 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011645 /nfs/dbraw/zinc/01/16/45/464011645.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011650 /nfs/dbraw/zinc/01/16/50/464011650.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011656 /nfs/dbraw/zinc/01/16/56/464011656.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278949237 464011661 /nfs/dbraw/zinc/01/16/61/464011661.db2.gz ZGLPGCXNFXVUFZ-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248460 676242881 /nfs/dbraw/zinc/24/28/81/676242881.db2.gz MXTBRKRARYWWEA-RDTXWAMCSA-N 2 2 343.475 2.073 20 10 EECDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891248460 676242883 /nfs/dbraw/zinc/24/28/83/676242883.db2.gz MXTBRKRARYWWEA-RDTXWAMCSA-N 2 2 343.475 2.073 20 10 EECDLP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)cc1C ZINC001133663296 1201171757 /nfs/dbraw/zinc/17/17/57/1201171757.db2.gz COZFRNVANCTIOH-HNNXBMFYSA-N 2 2 342.443 2.053 20 10 EECDLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4O)C[C@H]3C2)cn1 ZINC001140054105 1314805847 /nfs/dbraw/zinc/80/58/47/1314805847.db2.gz JIVPDMPGEIIRGB-NVXWUHKLSA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cc(F)ccc4O)C[C@H]3C2)cn1 ZINC001140054105 1314805849 /nfs/dbraw/zinc/80/58/49/1314805849.db2.gz JIVPDMPGEIIRGB-NVXWUHKLSA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cc(F)ccc4O)C[C@H]3C2)cn1 ZINC001140054105 1314805851 /nfs/dbraw/zinc/80/58/51/1314805851.db2.gz JIVPDMPGEIIRGB-NVXWUHKLSA-N 2 2 344.434 2.219 20 10 EECDLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cc(F)ccc4O)C[C@H]3C2)cn1 ZINC001140054105 1314805852 /nfs/dbraw/zinc/80/58/52/1314805852.db2.gz JIVPDMPGEIIRGB-NVXWUHKLSA-N 2 2 344.434 2.219 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC001140299742 1314858708 /nfs/dbraw/zinc/85/87/08/1314858708.db2.gz DVSHJKBRWQXUHA-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3CC[NH+](C)CC3)cc2)CC1 ZINC001140299742 1314858713 /nfs/dbraw/zinc/85/87/13/1314858713.db2.gz DVSHJKBRWQXUHA-UHFFFAOYSA-N 3 2 330.520 2.355 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000843114527 1315846273 /nfs/dbraw/zinc/84/62/73/1315846273.db2.gz CXBMSDHFFQMLDA-CQSZACIVSA-N 2 2 329.238 2.334 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1O ZINC000843114527 1315846275 /nfs/dbraw/zinc/84/62/75/1315846275.db2.gz CXBMSDHFFQMLDA-CQSZACIVSA-N 2 2 329.238 2.334 20 10 EECDLP C[N@@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H](C[NH3+])C1 ZINC000843121273 1315847693 /nfs/dbraw/zinc/84/76/93/1315847693.db2.gz BJAYTKXRWBEHOR-GOSISDBHSA-N 2 2 341.455 2.046 20 10 EECDLP C[N@H+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)[C@H](C[NH3+])C1 ZINC000843121273 1315847698 /nfs/dbraw/zinc/84/76/98/1315847698.db2.gz BJAYTKXRWBEHOR-GOSISDBHSA-N 2 2 341.455 2.046 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cc2F)CC1 ZINC001326520183 1334108672 /nfs/dbraw/zinc/10/86/72/1334108672.db2.gz YBZWFMLMPKCIIB-KRWDZBQOSA-N 3 2 334.483 2.281 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3CC[NH3+])cc2F)CC1 ZINC001326520183 1334108676 /nfs/dbraw/zinc/10/86/76/1334108676.db2.gz YBZWFMLMPKCIIB-KRWDZBQOSA-N 3 2 334.483 2.281 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2F)CC1 ZINC001332340757 1335806611 /nfs/dbraw/zinc/80/66/11/1335806611.db2.gz ZSMMDBKRZSZBRR-UHFFFAOYSA-N 3 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2F)CC1 ZINC001332340757 1335806616 /nfs/dbraw/zinc/80/66/16/1335806616.db2.gz ZSMMDBKRZSZBRR-UHFFFAOYSA-N 2 2 346.494 2.294 20 10 EECDLP CN1CCN(c2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2F)CC1 ZINC001332340757 1335806619 /nfs/dbraw/zinc/80/66/19/1335806619.db2.gz ZSMMDBKRZSZBRR-UHFFFAOYSA-N 2 2 346.494 2.294 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000817902992 785056745 /nfs/dbraw/zinc/05/67/45/785056745.db2.gz DEMLZBRJAJUWEK-RDJZCZTQSA-N 2 2 333.476 2.021 20 10 EECDLP COc1ccc(N2CCC([NH2+]C[C@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC000153223379 462627044 /nfs/dbraw/zinc/62/70/44/462627044.db2.gz QUKSJSOTWNZZIM-KRWDZBQOSA-N 2 2 347.503 2.222 20 10 EECDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000072823551 463550291 /nfs/dbraw/zinc/55/02/91/463550291.db2.gz SXXMPXIHNOFPRK-GOSISDBHSA-N 2 2 346.519 2.033 20 10 EECDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000072823551 463550296 /nfs/dbraw/zinc/55/02/96/463550296.db2.gz SXXMPXIHNOFPRK-GOSISDBHSA-N 2 2 346.519 2.033 20 10 EECDLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c(O)c1 ZINC001276365033 1217003848 /nfs/dbraw/zinc/00/38/48/1217003848.db2.gz IIXAYTOQDUEFBH-PKOBYXMFSA-N 2 2 340.471 2.412 20 10 EECDLP Cc1cc(C)c(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)c(O)c1 ZINC001276365033 1217003849 /nfs/dbraw/zinc/00/38/49/1217003849.db2.gz IIXAYTOQDUEFBH-PKOBYXMFSA-N 2 2 340.471 2.412 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766106 1304576054 /nfs/dbraw/zinc/57/60/54/1304576054.db2.gz SQXDJDDLKRWRPS-CZUORRHYSA-N 2 2 337.439 2.159 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1O ZINC000796766106 1304576060 /nfs/dbraw/zinc/57/60/60/1304576060.db2.gz SQXDJDDLKRWRPS-CZUORRHYSA-N 2 2 337.439 2.159 20 10 EECDLP CC(C)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCO1 ZINC001236943859 1305741744 /nfs/dbraw/zinc/74/17/44/1305741744.db2.gz WWXXMVYZLHKDEM-LJQANCHMSA-N 2 2 335.467 2.434 20 10 EECDLP CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCO1 ZINC001236943859 1305741754 /nfs/dbraw/zinc/74/17/54/1305741754.db2.gz WWXXMVYZLHKDEM-LJQANCHMSA-N 2 2 335.467 2.434 20 10 EECDLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2O)CC12CCOCC2 ZINC000843125406 1315849428 /nfs/dbraw/zinc/84/94/28/1315849428.db2.gz VSQZSFNUNJRCLA-GFCCVEGCSA-N 2 2 328.815 2.372 20 10 EECDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC12CCOCC2 ZINC000843125406 1315849433 /nfs/dbraw/zinc/84/94/33/1315849433.db2.gz VSQZSFNUNJRCLA-GFCCVEGCSA-N 2 2 328.815 2.372 20 10 EECDLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203596816 1321919947 /nfs/dbraw/zinc/91/99/47/1321919947.db2.gz NLHXSFMFRBBSAB-QGZVFWFLSA-N 2 2 334.460 2.476 20 10 EECDLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203596816 1321919948 /nfs/dbraw/zinc/91/99/48/1321919948.db2.gz NLHXSFMFRBBSAB-QGZVFWFLSA-N 2 2 334.460 2.476 20 10 EECDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325129416 1333835069 /nfs/dbraw/zinc/83/50/69/1333835069.db2.gz VZHZDFUXWUDITP-UHFFFAOYSA-N 3 2 348.510 2.495 20 10 EECDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325129416 1333835070 /nfs/dbraw/zinc/83/50/70/1333835070.db2.gz VZHZDFUXWUDITP-UHFFFAOYSA-N 3 2 348.510 2.495 20 10 EECDLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)[C@H]1C ZINC000817942515 785090617 /nfs/dbraw/zinc/09/06/17/785090617.db2.gz PHSPTMDOISUVCZ-PLYYQAHHSA-N 2 2 333.476 2.320 20 10 EECDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)cc(F)c1O ZINC000817982090 785131455 /nfs/dbraw/zinc/13/14/55/785131455.db2.gz PLHGZGNRSBSEHT-GXSJLCMTSA-N 2 2 347.228 2.323 20 10 EECDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)c(F)cc1O ZINC000817981982 785131555 /nfs/dbraw/zinc/13/15/55/785131555.db2.gz OZAXVBZZXYEHLG-UWVGGRQHSA-N 2 2 347.228 2.323 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000818941492 785333180 /nfs/dbraw/zinc/33/31/80/785333180.db2.gz KLQINDLIAYHXKJ-FQEVSTJZSA-N 2 2 327.472 2.335 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000818941492 785333189 /nfs/dbraw/zinc/33/31/89/785333189.db2.gz KLQINDLIAYHXKJ-FQEVSTJZSA-N 2 2 327.472 2.335 20 10 EECDLP COc1cccc(C[NH+]2CCN(C3=[NH+]CC(C)(C)S3)CC2)c1O ZINC000092032209 462920846 /nfs/dbraw/zinc/92/08/46/462920846.db2.gz DJNKHLXCFMGBQR-UHFFFAOYSA-N 2 2 335.473 2.400 20 10 EECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285519139 464594214 /nfs/dbraw/zinc/59/42/14/464594214.db2.gz BSEBVRXHFNJOKH-WZYMTQMTSA-N 2 2 331.460 2.126 20 10 EECDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285519139 464594217 /nfs/dbraw/zinc/59/42/17/464594217.db2.gz BSEBVRXHFNJOKH-WZYMTQMTSA-N 2 2 331.460 2.126 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)cc1C ZINC000989493976 691986364 /nfs/dbraw/zinc/98/63/64/691986364.db2.gz XZRFMXNNQPWPEN-YOEHRIQHSA-N 2 2 342.443 2.048 20 10 EECDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(Cl)c(Cl)cc1O)C2 ZINC001276805103 1298021352 /nfs/dbraw/zinc/02/13/52/1298021352.db2.gz RCAAGGRIXHJUOU-UHFFFAOYSA-N 2 2 344.286 2.378 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314419 1305558139 /nfs/dbraw/zinc/55/81/39/1305558139.db2.gz DLTMLNNEZORFQM-OKILXGFUSA-N 2 2 328.412 2.238 20 10 EECDLP Cc1cc(=O)oc2c1ccc(O)c2C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314419 1305558149 /nfs/dbraw/zinc/55/81/49/1305558149.db2.gz DLTMLNNEZORFQM-OKILXGFUSA-N 2 2 328.412 2.238 20 10 EECDLP COc1cc(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393030 1305917048 /nfs/dbraw/zinc/91/70/48/1305917048.db2.gz QIRVVQWUABQFSP-NVXWUHKLSA-N 3 2 333.476 2.036 20 10 EECDLP COc1cc(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393030 1305917050 /nfs/dbraw/zinc/91/70/50/1305917050.db2.gz QIRVVQWUABQFSP-NVXWUHKLSA-N 3 2 333.476 2.036 20 10 EECDLP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)cc(C[NH+](C)C)c1O ZINC001139257065 1314722277 /nfs/dbraw/zinc/72/22/77/1314722277.db2.gz QJXCTDHOXMAEOG-UHFFFAOYSA-N 3 2 335.492 2.380 20 10 EECDLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)cc(C[NH+](C)C)c1O ZINC001139257065 1314722280 /nfs/dbraw/zinc/72/22/80/1314722280.db2.gz QJXCTDHOXMAEOG-UHFFFAOYSA-N 3 2 335.492 2.380 20 10 EECDLP COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1O ZINC000841033631 1315459428 /nfs/dbraw/zinc/45/94/28/1315459428.db2.gz YEHOESUPKADVFU-LBPRGKRZSA-N 2 2 329.238 2.395 20 10 EECDLP CC[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319706200 1332746482 /nfs/dbraw/zinc/74/64/82/1332746482.db2.gz ZKTAGNCJTLHYFX-UHFFFAOYSA-N 2 2 345.466 2.333 20 10 EECDLP CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319706200 1332746485 /nfs/dbraw/zinc/74/64/85/1332746485.db2.gz ZKTAGNCJTLHYFX-UHFFFAOYSA-N 2 2 345.466 2.333 20 10 EECDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221828 1334046233 /nfs/dbraw/zinc/04/62/33/1334046233.db2.gz KENPOFIMTAFQQV-NVXWUHKLSA-N 3 2 334.483 2.137 20 10 EECDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001326221828 1334046235 /nfs/dbraw/zinc/04/62/35/1334046235.db2.gz KENPOFIMTAFQQV-NVXWUHKLSA-N 3 2 334.483 2.137 20 10 EECDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852279 1334727371 /nfs/dbraw/zinc/72/73/71/1334727371.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 3 2 348.510 2.350 20 10 EECDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329852279 1334727377 /nfs/dbraw/zinc/72/73/77/1334727377.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 3 2 348.510 2.350 20 10 EECDLP CC(=O)NCC1CCC([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)CC1 ZINC001575007208 1343718579 /nfs/dbraw/zinc/71/85/79/1343718579.db2.gz XUZOYPHIBYFMIL-KVWWFHCMSA-N 2 2 332.492 2.037 20 10 EECDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809753316 783361879 /nfs/dbraw/zinc/36/18/79/783361879.db2.gz QRTQVSLUSLTQSO-UHFFFAOYSA-N 3 2 327.476 2.157 20 10 EECDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809753316 783361890 /nfs/dbraw/zinc/36/18/90/783361890.db2.gz QRTQVSLUSLTQSO-UHFFFAOYSA-N 3 2 327.476 2.157 20 10 EECDLP CN(C)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000280417228 464204908 /nfs/dbraw/zinc/20/49/08/464204908.db2.gz WQNBDQZCGRPVKW-OAHLLOKOSA-N 2 2 333.398 2.174 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000278327940 463961488 /nfs/dbraw/zinc/96/14/88/463961488.db2.gz YWBANFXSSMHSHS-GFCCVEGCSA-N 2 2 332.360 2.412 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000278327940 463961491 /nfs/dbraw/zinc/96/14/91/463961491.db2.gz YWBANFXSSMHSHS-GFCCVEGCSA-N 2 2 332.360 2.412 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285700777 464663613 /nfs/dbraw/zinc/66/36/13/464663613.db2.gz OVDOQQMLWIVFCC-MGNMYUMUSA-N 2 2 345.487 2.435 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285700777 464663619 /nfs/dbraw/zinc/66/36/19/464663619.db2.gz OVDOQQMLWIVFCC-MGNMYUMUSA-N 2 2 345.487 2.435 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621839 464722688 /nfs/dbraw/zinc/72/26/88/464722688.db2.gz ZIPHKSNLRNKUHZ-SMDDNHRTSA-N 2 2 325.840 2.036 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000273621839 464722692 /nfs/dbraw/zinc/72/26/92/464722692.db2.gz ZIPHKSNLRNKUHZ-SMDDNHRTSA-N 2 2 325.840 2.036 20 10 EECDLP COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)[C@H]2C)cc1C ZINC000987267223 689555618 /nfs/dbraw/zinc/55/56/18/689555618.db2.gz MONBBVLERWRDGE-HOCLYGCPSA-N 2 2 342.443 2.048 20 10 EECDLP COc1ccc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)c(OC)c1 ZINC000879462248 1201079676 /nfs/dbraw/zinc/07/96/76/1201079676.db2.gz MGPIGMFYOXHKHO-UHFFFAOYSA-N 2 2 330.432 2.031 20 10 EECDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c(O)ccc(Cl)c1Cl)C2 ZINC001276818487 1298650950 /nfs/dbraw/zinc/65/09/50/1298650950.db2.gz DBLMMRGHJQPSKN-UHFFFAOYSA-N 2 2 344.286 2.378 20 10 EECDLP Oc1ccc(Cl)c(Cl)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222511068 1299646090 /nfs/dbraw/zinc/64/60/90/1299646090.db2.gz MQUDUNDNLLPKAS-STQMWFEESA-N 2 2 330.259 2.225 20 10 EECDLP Oc1ccc(F)cc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140062874 1314806977 /nfs/dbraw/zinc/80/69/77/1314806977.db2.gz HGCRJQPGTDQFQZ-CALCHBBNSA-N 2 2 327.403 2.490 20 10 EECDLP Oc1ccc(F)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001140062874 1314806981 /nfs/dbraw/zinc/80/69/81/1314806981.db2.gz HGCRJQPGTDQFQZ-CALCHBBNSA-N 2 2 327.403 2.490 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCC4)C3)cc2)CC1 ZINC001140304106 1314862188 /nfs/dbraw/zinc/86/21/88/1314862188.db2.gz IJRLFNVJCVGXKI-NRFANRHFSA-N 2 2 342.531 2.499 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCC4)C3)cc2)CC1 ZINC001140304106 1314862194 /nfs/dbraw/zinc/86/21/94/1314862194.db2.gz IJRLFNVJCVGXKI-NRFANRHFSA-N 2 2 342.531 2.499 20 10 EECDLP CC(C)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254314889 1318041185 /nfs/dbraw/zinc/04/11/85/1318041185.db2.gz YEYCCMFUQMUCNZ-IBGZPJMESA-N 2 2 335.467 2.434 20 10 EECDLP CC(C)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254314889 1318041194 /nfs/dbraw/zinc/04/11/94/1318041194.db2.gz YEYCCMFUQMUCNZ-IBGZPJMESA-N 2 2 335.467 2.434 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1O ZINC001140744576 1372661811 /nfs/dbraw/zinc/66/18/11/1372661811.db2.gz CJUQDULHFMTWDW-IRXDYDNUSA-N 2 2 339.439 2.365 20 10 EECDLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952567 1372726031 /nfs/dbraw/zinc/72/60/31/1372726031.db2.gz XQCSCLDBZGXTKS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952567 1372726033 /nfs/dbraw/zinc/72/60/33/1372726033.db2.gz XQCSCLDBZGXTKS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952567 1372726037 /nfs/dbraw/zinc/72/60/37/1372726037.db2.gz XQCSCLDBZGXTKS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3O)C2)C1 ZINC001140952567 1372726041 /nfs/dbraw/zinc/72/60/41/1372726041.db2.gz XQCSCLDBZGXTKS-FQEVSTJZSA-N 2 2 348.487 2.261 20 10 EECDLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cc(Br)ccc1O ZINC000817982398 785130237 /nfs/dbraw/zinc/13/02/37/785130237.db2.gz DFDXCOVBUGGERI-YPMHNXCESA-N 2 2 329.238 2.184 20 10 EECDLP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(OC)c1 ZINC001169155170 803638438 /nfs/dbraw/zinc/63/84/38/803638438.db2.gz ZBCMKBGWBZBHMM-BJWYYQGGSA-N 2 2 345.487 2.451 20 10 EECDLP COc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(OC)c1 ZINC001169155170 803638439 /nfs/dbraw/zinc/63/84/39/803638439.db2.gz ZBCMKBGWBZBHMM-BJWYYQGGSA-N 2 2 345.487 2.451 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3CCSC3)CC2)cc1 ZINC000237274095 464295098 /nfs/dbraw/zinc/29/50/98/464295098.db2.gz QXBYTLTXPGWWCN-INIZCTEOSA-N 2 2 335.517 2.302 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(O)cccc3Cl)cn2)CC1 ZINC000264977614 464505913 /nfs/dbraw/zinc/50/59/13/464505913.db2.gz SQEITVMRVDSXTH-UHFFFAOYSA-N 2 2 346.862 2.482 20 10 EECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285519129 464594611 /nfs/dbraw/zinc/59/46/11/464594611.db2.gz BSEBVRXHFNJOKH-HNSVSWJLSA-N 2 2 331.460 2.126 20 10 EECDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1O ZINC000285519129 464594619 /nfs/dbraw/zinc/59/46/19/464594619.db2.gz BSEBVRXHFNJOKH-HNSVSWJLSA-N 2 2 331.460 2.126 20 10 EECDLP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1O ZINC000756574613 577847154 /nfs/dbraw/zinc/84/71/54/577847154.db2.gz DIMRDPBEMODYLV-GXTWGEPZSA-N 2 2 339.430 2.490 20 10 EECDLP C[C@@H](CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)n1cc[nH+]c1 ZINC000891246902 676240941 /nfs/dbraw/zinc/24/09/41/676240941.db2.gz QROOZGIBFNNBMA-YJBOKZPZSA-N 2 2 343.475 2.319 20 10 EECDLP CCc1nnc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000810176148 1199330366 /nfs/dbraw/zinc/33/03/66/1199330366.db2.gz IOJUMJOVGHQPRV-UHFFFAOYSA-N 2 2 331.489 2.142 20 10 EECDLP CC[C@@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883369924 1202054766 /nfs/dbraw/zinc/05/47/66/1202054766.db2.gz CLVYRPXQSRXKQK-PKOBYXMFSA-N 2 2 347.503 2.230 20 10 EECDLP Cn1c(Cl)cnc1C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779160125 1208724816 /nfs/dbraw/zinc/72/48/16/1208724816.db2.gz BSTHDDKNUCAYCK-UHFFFAOYSA-N 2 2 347.894 2.457 20 10 EECDLP Cn1c(Cl)cnc1C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779160125 1208724819 /nfs/dbraw/zinc/72/48/19/1208724819.db2.gz BSTHDDKNUCAYCK-UHFFFAOYSA-N 2 2 347.894 2.457 20 10 EECDLP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001236080379 1305496691 /nfs/dbraw/zinc/49/66/91/1305496691.db2.gz WGXZBBGHPCREJV-LLVKDONJSA-N 2 2 330.259 2.306 20 10 EECDLP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001236080379 1305496697 /nfs/dbraw/zinc/49/66/97/1305496697.db2.gz WGXZBBGHPCREJV-LLVKDONJSA-N 2 2 330.259 2.306 20 10 EECDLP C[NH+](C)CCC[N@H+](C)Cc1cccc(I)c1O ZINC001237788202 1306092996 /nfs/dbraw/zinc/09/29/96/1306092996.db2.gz WQYSRNDEHCOTBT-UHFFFAOYSA-N 2 2 348.228 2.380 20 10 EECDLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(I)c1O ZINC001237788202 1306093007 /nfs/dbraw/zinc/09/30/07/1306093007.db2.gz WQYSRNDEHCOTBT-UHFFFAOYSA-N 2 2 348.228 2.380 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC4(CCC4)C3)cc2F)CC1 ZINC001320508561 1332899974 /nfs/dbraw/zinc/89/99/74/1332899974.db2.gz BEXLNLZHDGRGDD-UHFFFAOYSA-N 2 2 333.451 2.332 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC4(CCC4)C3)cc2F)CC1 ZINC001320508561 1332899975 /nfs/dbraw/zinc/89/99/75/1332899975.db2.gz BEXLNLZHDGRGDD-UHFFFAOYSA-N 2 2 333.451 2.332 20 10 EECDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321147048 1333031175 /nfs/dbraw/zinc/03/11/75/1333031175.db2.gz AFCWLUAKGORCBR-SFHVURJKSA-N 3 2 348.510 2.494 20 10 EECDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321147048 1333031178 /nfs/dbraw/zinc/03/11/78/1333031178.db2.gz AFCWLUAKGORCBR-SFHVURJKSA-N 3 2 348.510 2.494 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000775674444 577442457 /nfs/dbraw/zinc/44/24/57/577442457.db2.gz BGUSYVVCNUWOFS-HXUWFJFHSA-N 3 2 339.487 2.472 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000775674444 577442458 /nfs/dbraw/zinc/44/24/58/577442458.db2.gz BGUSYVVCNUWOFS-HXUWFJFHSA-N 3 2 339.487 2.472 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1C ZINC001000314562 1240160498 /nfs/dbraw/zinc/16/04/98/1240160498.db2.gz YPGCXJRFOVQBRI-MRXNPFEDSA-N 2 2 342.443 2.050 20 10 EECDLP c1c(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001235120623 1305120040 /nfs/dbraw/zinc/12/00/40/1305120040.db2.gz UPSSFTZILFAYDC-OAQYLSRUSA-N 2 2 341.499 2.340 20 10 EECDLP c1c(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc2c3c1CCCN3CCC2 ZINC001235120623 1305120043 /nfs/dbraw/zinc/12/00/43/1305120043.db2.gz UPSSFTZILFAYDC-OAQYLSRUSA-N 2 2 341.499 2.340 20 10 EECDLP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001236080380 1305496064 /nfs/dbraw/zinc/49/60/64/1305496064.db2.gz WGXZBBGHPCREJV-NSHDSACASA-N 2 2 330.259 2.306 20 10 EECDLP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3c(O)ccc(Cl)c3Cl)C2)C1 ZINC001236080380 1305496072 /nfs/dbraw/zinc/49/60/72/1305496072.db2.gz WGXZBBGHPCREJV-NSHDSACASA-N 2 2 330.259 2.306 20 10 EECDLP C[NH+]1CCN(C2CC[NH+](Cc3cc(F)c(Cl)cc3O)CC2)CC1 ZINC001237937743 1306155629 /nfs/dbraw/zinc/15/56/29/1306155629.db2.gz UNZUTMLMXDKSLX-UHFFFAOYSA-N 2 2 341.858 2.397 20 10 EECDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(N(C)C)cc2C)CC1 ZINC000840912997 1315434447 /nfs/dbraw/zinc/43/44/47/1315434447.db2.gz BQXIKUYNTRRCQK-UHFFFAOYSA-N 2 2 346.519 2.047 20 10 EECDLP COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000841042439 1315461392 /nfs/dbraw/zinc/46/13/92/1315461392.db2.gz JPWPCNDSHWLSBS-INIZCTEOSA-N 2 2 344.415 2.459 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843051104 1315830203 /nfs/dbraw/zinc/83/02/03/1315830203.db2.gz DZRGUPYCZPMBIK-JOYOIKCWSA-N 2 2 329.238 2.332 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1O ZINC000843051104 1315830206 /nfs/dbraw/zinc/83/02/06/1315830206.db2.gz DZRGUPYCZPMBIK-JOYOIKCWSA-N 2 2 329.238 2.332 20 10 EECDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205018766 1322264806 /nfs/dbraw/zinc/26/48/06/1322264806.db2.gz YZPSGBVMZCNWAY-MRXNPFEDSA-N 3 2 334.483 2.009 20 10 EECDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205018766 1322264810 /nfs/dbraw/zinc/26/48/10/1322264810.db2.gz YZPSGBVMZCNWAY-MRXNPFEDSA-N 3 2 334.483 2.009 20 10 EECDLP CC[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000817895137 785051526 /nfs/dbraw/zinc/05/15/26/785051526.db2.gz RGXIQUVNKLMYNL-MSOLQXFVSA-N 2 2 335.467 2.407 20 10 EECDLP C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000821065553 786583226 /nfs/dbraw/zinc/58/32/26/786583226.db2.gz OVXKXHDQSHIPOJ-IUODEOHRSA-N 2 2 339.867 2.076 20 10 EECDLP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[NH+](C)C ZINC000821065553 786583234 /nfs/dbraw/zinc/58/32/34/786583234.db2.gz OVXKXHDQSHIPOJ-IUODEOHRSA-N 2 2 339.867 2.076 20 10 EECDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000113332635 237162223 /nfs/dbraw/zinc/16/22/23/237162223.db2.gz LBAPQFODUCJIHB-OAHLLOKOSA-N 2 2 339.867 2.078 20 10 EECDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1c(O)cccc1Cl ZINC000113332635 237162235 /nfs/dbraw/zinc/16/22/35/237162235.db2.gz LBAPQFODUCJIHB-OAHLLOKOSA-N 2 2 339.867 2.078 20 10 EECDLP COc1c(O)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000278941475 464010565 /nfs/dbraw/zinc/01/05/65/464010565.db2.gz XWPAOZZQIURLRP-LLVKDONJSA-N 2 2 334.376 2.240 20 10 EECDLP COc1c(O)c(C[NH2+]CCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000775025292 577426845 /nfs/dbraw/zinc/42/68/45/577426845.db2.gz VMEBJTISHZGESI-UHFFFAOYSA-N 2 2 334.376 2.384 20 10 EECDLP COc1cc(C)cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1O ZINC000895192862 684273232 /nfs/dbraw/zinc/27/32/32/684273232.db2.gz OTNONJBXPWZYOO-KRWDZBQOSA-N 2 2 334.460 2.396 20 10 EECDLP COc1cc(C)cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1O ZINC000895192862 684273234 /nfs/dbraw/zinc/27/32/34/684273234.db2.gz OTNONJBXPWZYOO-KRWDZBQOSA-N 2 2 334.460 2.396 20 10 EECDLP Cc1ccc(O)c(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000895554292 684640606 /nfs/dbraw/zinc/64/06/06/684640606.db2.gz VCAYDYNJQNBTST-UHFFFAOYSA-N 2 2 331.460 2.006 20 10 EECDLP CC(C)C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)n1cc[nH+]c1 ZINC000876506940 1199650244 /nfs/dbraw/zinc/65/02/44/1199650244.db2.gz RGEKCSQLQFCADI-ROUUACIJSA-N 2 2 343.475 2.353 20 10 EECDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000879461348 1201080107 /nfs/dbraw/zinc/08/01/07/1201080107.db2.gz AYZSGMDHIZXSTN-INIZCTEOSA-N 2 2 333.476 2.310 20 10 EECDLP COc1ccc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c(OC)c1 ZINC000879461348 1201080114 /nfs/dbraw/zinc/08/01/14/1201080114.db2.gz AYZSGMDHIZXSTN-INIZCTEOSA-N 2 2 333.476 2.310 20 10 EECDLP Nc1ccc(N(Cc2ccccc2)C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001218956236 1297881273 /nfs/dbraw/zinc/88/12/73/1297881273.db2.gz ULRJUCTYPMXPRI-GGPKGHCWSA-N 2 2 336.439 2.024 20 10 EECDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1N1CCCCC1 ZINC000841087280 1315471380 /nfs/dbraw/zinc/47/13/80/1315471380.db2.gz TUCGYAARMNSSEI-MRXNPFEDSA-N 2 2 348.447 2.053 20 10 EECDLP COc1ccc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC001203672890 1321937588 /nfs/dbraw/zinc/93/75/88/1321937588.db2.gz HZEDYOIPTQCKJD-IAGOWNOFSA-N 2 2 339.439 2.360 20 10 EECDLP Oc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001204272733 1322099067 /nfs/dbraw/zinc/09/90/67/1322099067.db2.gz HVQFSROAOAPPOM-CALCHBBNSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001204272733 1322099073 /nfs/dbraw/zinc/09/90/73/1322099073.db2.gz HVQFSROAOAPPOM-CALCHBBNSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001204272733 1322099080 /nfs/dbraw/zinc/09/90/80/1322099080.db2.gz HVQFSROAOAPPOM-CALCHBBNSA-N 2 2 325.412 2.057 20 10 EECDLP Oc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c(O)c1 ZINC001204272733 1322099083 /nfs/dbraw/zinc/09/90/83/1322099083.db2.gz HVQFSROAOAPPOM-CALCHBBNSA-N 2 2 325.412 2.057 20 10 EECDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(-c2nn[nH]n2)c1O ZINC001604057095 1350842846 /nfs/dbraw/zinc/84/28/46/1350842846.db2.gz ZTJPCDCPCYMKIK-IAYQEVDDSA-N 2 2 342.447 2.238 20 10 EECDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-c2nn[nH]n2)c1O ZINC001604057095 1350842848 /nfs/dbraw/zinc/84/28/48/1350842848.db2.gz ZTJPCDCPCYMKIK-IAYQEVDDSA-N 2 2 342.447 2.238 20 10 EECDLP C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1O)CN1CC[NH+](C)CC1 ZINC000187698856 464151896 /nfs/dbraw/zinc/15/18/96/464151896.db2.gz DYHPMRKHWTWCIG-CHWSQXEVSA-N 2 2 327.419 2.205 20 10 EECDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360961 464711488 /nfs/dbraw/zinc/71/14/88/464711488.db2.gz AGLQDWKCABIICZ-KSSFIOAISA-N 2 2 345.487 2.261 20 10 EECDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2c(cc1O)CCCC2 ZINC000273360961 464711495 /nfs/dbraw/zinc/71/14/95/464711495.db2.gz AGLQDWKCABIICZ-KSSFIOAISA-N 2 2 345.487 2.261 20 10 EECDLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1O ZINC000273362544 464713871 /nfs/dbraw/zinc/71/38/71/464713871.db2.gz DFHXPIQPMKNNJD-AAEUAGOBSA-N 2 2 343.265 2.262 20 10 EECDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000359958887 465511497 /nfs/dbraw/zinc/51/14/97/465511497.db2.gz LGKJJYNUQUQYFW-QZTJIDSGSA-N 2 2 347.503 2.066 20 10 EECDLP COc1cc[nH+]c(N2CC[NH+](Cc3c(O)cccc3OC)CC2)c1 ZINC000769332188 577575235 /nfs/dbraw/zinc/57/52/35/577575235.db2.gz KNNAWJHCUDGYNV-UHFFFAOYSA-N 2 2 329.400 2.127 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)CC(C)(C)C)CC2)cc1 ZINC000754031566 577798957 /nfs/dbraw/zinc/79/89/57/577798957.db2.gz WNJVGMPVQQFJIO-GOSISDBHSA-N 2 2 349.519 2.156 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)CC(C)(C)C)CC2)cc1 ZINC000754031566 577798958 /nfs/dbraw/zinc/79/89/58/577798958.db2.gz WNJVGMPVQQFJIO-GOSISDBHSA-N 2 2 349.519 2.156 20 10 EECDLP COC(=O)c1c(C[NH2+]C2CC[NH+](C)CC2)c2cc(F)ccc2n1C ZINC000894152448 681791014 /nfs/dbraw/zinc/79/10/14/681791014.db2.gz MVDNVFYGQARFJX-UHFFFAOYSA-N 2 2 333.407 2.288 20 10 EECDLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1c(O)cccc1F ZINC000886525119 1202518285 /nfs/dbraw/zinc/51/82/85/1202518285.db2.gz XWKCCPKRMPIROI-ZDUSSCGKSA-N 2 2 337.439 2.125 20 10 EECDLP C[NH+]1CCN(C2C[NH+](Cc3ccc(N4CCCCC4)cc3)C2)CC1 ZINC001138222194 1314577866 /nfs/dbraw/zinc/57/78/66/1314577866.db2.gz LBDCHEJMFZEWGN-UHFFFAOYSA-N 2 2 328.504 2.109 20 10 EECDLP Oc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c(O)c1 ZINC001204273322 1322100274 /nfs/dbraw/zinc/10/02/74/1322100274.db2.gz OEQLFOFFFJMIID-HOTGVXAUSA-N 2 2 325.412 2.057 20 10 EECDLP Cc1c(O)ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1O ZINC001140744976 1372661432 /nfs/dbraw/zinc/66/14/32/1372661432.db2.gz RLRUXSGDWJQDMI-ROUUACIJSA-N 2 2 339.439 2.365 20 10 EECDLP Cc1cc(Br)cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1O ZINC000841100472 783542232 /nfs/dbraw/zinc/54/22/32/783542232.db2.gz INHYKRYKHNYQCG-CYBMUJFWSA-N 2 2 329.238 2.013 20 10 EECDLP Cc1cc(Br)cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1O ZINC000841100472 783542236 /nfs/dbraw/zinc/54/22/36/783542236.db2.gz INHYKRYKHNYQCG-CYBMUJFWSA-N 2 2 329.238 2.013 20 10 EECDLP COc1ccc(N2CCC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000817903366 785056265 /nfs/dbraw/zinc/05/62/65/785056265.db2.gz OLBXCACUGCFGQZ-UXHICEINSA-N 2 2 345.487 2.021 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@H](C)OC)CC2)cc1 ZINC000268737574 463789047 /nfs/dbraw/zinc/78/90/47/463789047.db2.gz OTMMCQYMSMYBDG-SJORKVTESA-N 2 2 335.492 2.220 20 10 EECDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(O)c1C ZINC000359958889 465511817 /nfs/dbraw/zinc/51/18/17/465511817.db2.gz LGKJJYNUQUQYFW-ROUUACIJSA-N 2 2 347.503 2.066 20 10 EECDLP CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c(O)c1 ZINC001276804569 1298001295 /nfs/dbraw/zinc/00/12/95/1298001295.db2.gz HBSRCYBWZNDGRW-OALUTQOASA-N 2 2 340.471 2.500 20 10 EECDLP CCc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCn2cc[nH+]c2)c(O)c1 ZINC001276804569 1298001303 /nfs/dbraw/zinc/00/13/03/1298001303.db2.gz HBSRCYBWZNDGRW-OALUTQOASA-N 2 2 340.471 2.500 20 10 EECDLP CCOc1ccc(N2CC[NH+](CC[C@H]3COC(C)(C)[NH2+]3)CC2)cc1 ZINC001236434795 1305578749 /nfs/dbraw/zinc/57/87/49/1305578749.db2.gz XBDJFMGDZVOYBG-INIZCTEOSA-N 2 2 333.476 2.322 20 10 EECDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(Cl)cc(F)c1O ZINC001237619068 1306009908 /nfs/dbraw/zinc/00/99/08/1306009908.db2.gz MLIOXLLJKUBUQC-JKSUJKDBSA-N 2 2 341.858 2.395 20 10 EECDLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(Cl)cc(F)c1O ZINC001237619068 1306009923 /nfs/dbraw/zinc/00/99/23/1306009923.db2.gz MLIOXLLJKUBUQC-JKSUJKDBSA-N 2 2 341.858 2.395 20 10 EECDLP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)cc12 ZINC000841041985 1315461332 /nfs/dbraw/zinc/46/13/32/1315461332.db2.gz GPFKOEQCQCTGGE-GOSISDBHSA-N 2 2 338.459 2.132 20 10 EECDLP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCn2cc[nH+]c2)cc1C ZINC001755598937 1407669587 /nfs/dbraw/zinc/66/95/87/1407669587.db2.gz PJGVOKAVPYBVRP-INIZCTEOSA-N 2 2 344.459 2.227 20 10 EECDLP C[NH+]1CCN(c2ccc(CNc3ccn4cc(N)[nH+]c4c3)cc2)CC1 ZINC001167431077 759340934 /nfs/dbraw/zinc/34/09/34/759340934.db2.gz GAJOMSUZUADMGI-UHFFFAOYSA-N 2 2 336.443 2.280 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC3(O)CCCC3)CC2)cc1 ZINC000818943357 785334495 /nfs/dbraw/zinc/33/44/95/785334495.db2.gz RENIPHXYCBLFEP-UHFFFAOYSA-N 2 2 347.503 2.102 20 10 EECDLP COCCC[NH+]1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172254564 796945993 /nfs/dbraw/zinc/94/59/93/796945993.db2.gz QREXNWUQRKWABY-UHFFFAOYSA-N 2 2 334.460 2.347 20 10 EECDLP COCCC[NH+]1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172254564 796945998 /nfs/dbraw/zinc/94/59/98/796945998.db2.gz QREXNWUQRKWABY-UHFFFAOYSA-N 2 2 334.460 2.347 20 10 EECDLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206189954 797235316 /nfs/dbraw/zinc/23/53/16/797235316.db2.gz YSEBYAYMMFQFHZ-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP COc1ccc(Br)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c1O ZINC001206189954 797235322 /nfs/dbraw/zinc/23/53/22/797235322.db2.gz YSEBYAYMMFQFHZ-VXGBXAGGSA-N 2 2 347.228 2.425 20 10 EECDLP CC[C@H]([NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000883369921 1202054693 /nfs/dbraw/zinc/05/46/93/1202054693.db2.gz CLVYRPXQSRXKQK-HKUYNNGSSA-N 2 2 347.503 2.230 20 10 EECDLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469049 1294126414 /nfs/dbraw/zinc/12/64/14/1294126414.db2.gz OEBZWWVISJWBLS-UBHSHLNASA-N 2 2 335.423 2.009 20 10 EECDLP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469049 1294126417 /nfs/dbraw/zinc/12/64/17/1294126417.db2.gz OEBZWWVISJWBLS-UBHSHLNASA-N 2 2 335.423 2.009 20 10 EECDLP Oc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1O ZINC001233483656 1304476972 /nfs/dbraw/zinc/47/69/72/1304476972.db2.gz HETULRHEIYNSKQ-ZIAGYGMSSA-N 2 2 346.452 2.429 20 10 EECDLP COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000841042441 1315461242 /nfs/dbraw/zinc/46/12/42/1315461242.db2.gz JPWPCNDSHWLSBS-MRXNPFEDSA-N 2 2 344.415 2.459 20 10 EECDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001205016188 1322264920 /nfs/dbraw/zinc/26/49/20/1322264920.db2.gz GLWOPVKHXGUKIK-CQSZACIVSA-N 2 2 329.444 2.396 20 10 EECDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c3ccccc3n(C)c2C(=O)OC)C1 ZINC001205016188 1322264923 /nfs/dbraw/zinc/26/49/23/1322264923.db2.gz GLWOPVKHXGUKIK-CQSZACIVSA-N 2 2 329.444 2.396 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(F)cn3)cc2F)CC1 ZINC001319166672 1332659333 /nfs/dbraw/zinc/65/93/33/1332659333.db2.gz WFWLGNWIKCYQIG-UHFFFAOYSA-N 2 2 332.398 2.401 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001752905146 1406532766 /nfs/dbraw/zinc/53/27/66/1406532766.db2.gz OKCDCPQNSFYLCU-HUUCEWRRSA-N 2 2 344.459 2.200 20 10 EECDLP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001752905146 1406532771 /nfs/dbraw/zinc/53/27/71/1406532771.db2.gz OKCDCPQNSFYLCU-HUUCEWRRSA-N 2 2 344.459 2.200 20 10 EECDLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206163533 796937239 /nfs/dbraw/zinc/93/72/39/796937239.db2.gz DGWXXJFXBWRLKZ-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206163533 796937246 /nfs/dbraw/zinc/93/72/46/796937246.db2.gz DGWXXJFXBWRLKZ-NWDGAFQWSA-N 2 2 347.228 2.425 20 10 EECDLP CCN(C)c1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000773783791 577364428 /nfs/dbraw/zinc/36/44/28/577364428.db2.gz DXJIZKUFKHMGAX-LJQANCHMSA-N 2 2 344.503 2.057 20 10 EECDLP CCN(C)c1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000773783791 577364432 /nfs/dbraw/zinc/36/44/32/577364432.db2.gz DXJIZKUFKHMGAX-LJQANCHMSA-N 2 2 344.503 2.057 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](N4CCCCC4)C3)cc2)CC1 ZINC000775677823 577442563 /nfs/dbraw/zinc/44/25/63/577442563.db2.gz RSESKUSSUZQRHP-NRFANRHFSA-N 2 2 342.531 2.499 20 10 EECDLP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N4CCCCC4)C3)cc2)CC1 ZINC000775677823 577442564 /nfs/dbraw/zinc/44/25/64/577442564.db2.gz RSESKUSSUZQRHP-NRFANRHFSA-N 2 2 342.531 2.499 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H]3COCC3(C)C)CC2)cc1 ZINC000894152735 681791031 /nfs/dbraw/zinc/79/10/31/681791031.db2.gz BOIDHIRTLCXTMF-IBGZPJMESA-N 2 2 347.503 2.222 20 10 EECDLP CN(C)C(=O)c1cccc(C[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000904354488 694368343 /nfs/dbraw/zinc/36/83/43/694368343.db2.gz ZYXOAMYUEKXSFN-IBGZPJMESA-N 2 2 340.471 2.244 20 10 EECDLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000841099553 1315475044 /nfs/dbraw/zinc/47/50/44/1315475044.db2.gz LUENMGUYUMLDCL-CYBMUJFWSA-N 2 2 339.802 2.072 20 10 EECDLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)nn1 ZINC000841099553 1315475046 /nfs/dbraw/zinc/47/50/46/1315475046.db2.gz LUENMGUYUMLDCL-CYBMUJFWSA-N 2 2 339.802 2.072 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CCO)c3ccco3)cc2F)CC1 ZINC001320584022 1332915398 /nfs/dbraw/zinc/91/53/98/1332915398.db2.gz OTWJPFNRULZJNM-QGZVFWFLSA-N 2 2 347.434 2.384 20 10 EECDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323738567 1333528777 /nfs/dbraw/zinc/52/87/77/1333528777.db2.gz AWVGAFWYLVRDAI-GOSISDBHSA-N 3 2 348.510 2.397 20 10 EECDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001323738567 1333528781 /nfs/dbraw/zinc/52/87/81/1333528781.db2.gz AWVGAFWYLVRDAI-GOSISDBHSA-N 3 2 348.510 2.397 20 10 EECDLP COCCC[NH+]1CCC([NH+]2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC001172249281 796942699 /nfs/dbraw/zinc/94/26/99/796942699.db2.gz INKJECJDNMXXRL-UHFFFAOYSA-N 2 2 347.503 2.318 20 10 EECDLP CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000076074336 462801675 /nfs/dbraw/zinc/80/16/75/462801675.db2.gz SYXHRAANXINREA-MRXNPFEDSA-N 2 2 333.476 2.157 20 10 EECDLP CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000076074336 462801686 /nfs/dbraw/zinc/80/16/86/462801686.db2.gz SYXHRAANXINREA-MRXNPFEDSA-N 2 2 333.476 2.157 20 10 EECDLP COCC(C)(C)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000755179722 577821360 /nfs/dbraw/zinc/82/13/60/577821360.db2.gz JMXRSEVOATWYEX-UHFFFAOYSA-N 2 2 349.519 2.470 20 10 EECDLP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)cc1C ZINC000989613790 692087408 /nfs/dbraw/zinc/08/74/08/692087408.db2.gz WEEIDNWCVIEKJC-HOCLYGCPSA-N 2 2 342.443 2.048 20 10 EECDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883288628 1202040661 /nfs/dbraw/zinc/04/06/61/1202040661.db2.gz LWYHURODCKTATA-UHFFFAOYSA-N 3 2 330.520 2.401 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000783592668 1304306238 /nfs/dbraw/zinc/30/62/38/1304306238.db2.gz KFNGCWAYDNFCTJ-SFHVURJKSA-N 2 2 347.503 2.224 20 10 EECDLP CCOC(=O)c1c(C[N@@H+]2CC[C@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001236068303 1305490665 /nfs/dbraw/zinc/49/06/65/1305490665.db2.gz XQLRMGKNYJQOSZ-CQSZACIVSA-N 2 2 329.444 2.396 20 10 EECDLP CCOC(=O)c1c(C[N@H+]2CC[C@H](C[NH2+]C)C2)c2ccccc2n1C ZINC001236068303 1305490672 /nfs/dbraw/zinc/49/06/72/1305490672.db2.gz XQLRMGKNYJQOSZ-CQSZACIVSA-N 2 2 329.444 2.396 20 10 EECDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc(C[NH+](C)C)c1O ZINC001139257474 1314722291 /nfs/dbraw/zinc/72/22/91/1314722291.db2.gz CBDXFFBXEZNIRK-UHFFFAOYSA-N 3 2 344.459 2.496 20 10 EECDLP COC(=O)Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c1 ZINC001249208560 1317022710 /nfs/dbraw/zinc/02/27/10/1317022710.db2.gz WFUIOAJDAZVJSV-UHFFFAOYSA-N 2 2 329.400 2.141 20 10 EECDLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001204321281 1322111733 /nfs/dbraw/zinc/11/17/33/1322111733.db2.gz BKWJPRZGQWKYRS-AZUAARDMSA-N 2 2 329.488 2.439 20 10 EECDLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001204321281 1322111741 /nfs/dbraw/zinc/11/17/41/1322111741.db2.gz BKWJPRZGQWKYRS-AZUAARDMSA-N 2 2 329.488 2.439 20 10 EECDLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001204321281 1322111747 /nfs/dbraw/zinc/11/17/47/1322111747.db2.gz BKWJPRZGQWKYRS-AZUAARDMSA-N 2 2 329.488 2.439 20 10 EECDLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@@H]2C1 ZINC001204321281 1322111753 /nfs/dbraw/zinc/11/17/53/1322111753.db2.gz BKWJPRZGQWKYRS-AZUAARDMSA-N 2 2 329.488 2.439 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369683986 466745347 /nfs/dbraw/zinc/74/53/47/466745347.db2.gz QZEUFJVQNFJOOG-CYBMUJFWSA-N 2 2 346.387 2.422 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000369683986 466745351 /nfs/dbraw/zinc/74/53/51/466745351.db2.gz QZEUFJVQNFJOOG-CYBMUJFWSA-N 2 2 346.387 2.422 20 10 EECDLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C1 ZINC000775685756 577442880 /nfs/dbraw/zinc/44/28/80/577442880.db2.gz VLWUKURLJQGCLA-HNNXBMFYSA-N 2 2 341.858 2.397 20 10 EECDLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)C1 ZINC000775685756 577442881 /nfs/dbraw/zinc/44/28/81/577442881.db2.gz VLWUKURLJQGCLA-HNNXBMFYSA-N 2 2 341.858 2.397 20 10 EECDLP CC[NH+]1CCN(c2ccc(CNc3cc(CO)cc[nH+]3)cc2F)CC1 ZINC000881951564 1201793573 /nfs/dbraw/zinc/79/35/73/1201793573.db2.gz ALDHSIWTLQPAAX-UHFFFAOYSA-N 2 2 344.434 2.467 20 10 EECDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000883049153 1202003375 /nfs/dbraw/zinc/00/33/75/1202003375.db2.gz FZVPBVHPQPKIJH-CVEARBPZSA-N 2 2 326.387 2.138 20 10 EECDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c1O ZINC000779024466 1208447390 /nfs/dbraw/zinc/44/73/90/1208447390.db2.gz MSXNFMDBGXGJDC-ZYHUDNBSSA-N 2 2 331.254 2.036 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237407002 1305922461 /nfs/dbraw/zinc/92/24/61/1305922461.db2.gz WMFZCFYOSSWMRV-VQIMIIECSA-N 2 2 333.451 2.236 20 10 EECDLP Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237407002 1305922465 /nfs/dbraw/zinc/92/24/65/1305922465.db2.gz WMFZCFYOSSWMRV-VQIMIIECSA-N 2 2 333.451 2.236 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241851 1306325429 /nfs/dbraw/zinc/32/54/29/1306325429.db2.gz PKUPYOYIFLDPRD-AEFFLSMTSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241851 1306325437 /nfs/dbraw/zinc/32/54/37/1306325437.db2.gz PKUPYOYIFLDPRD-AEFFLSMTSA-N 3 2 334.483 2.137 20 10 EECDLP CC[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241851 1306325448 /nfs/dbraw/zinc/32/54/48/1306325448.db2.gz PKUPYOYIFLDPRD-AEFFLSMTSA-N 2 2 334.483 2.137 20 10 EECDLP CC[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC[C@@H]1[NH3+] ZINC001118241851 1306325461 /nfs/dbraw/zinc/32/54/61/1306325461.db2.gz PKUPYOYIFLDPRD-AEFFLSMTSA-N 2 2 334.483 2.137 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cc2F)CC1 ZINC001118803869 1308944092 /nfs/dbraw/zinc/94/40/92/1308944092.db2.gz QKSPSTRCRNIQOF-GOSISDBHSA-N 3 2 348.510 2.399 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)cc2F)CC1 ZINC001118803869 1308944099 /nfs/dbraw/zinc/94/40/99/1308944099.db2.gz QKSPSTRCRNIQOF-GOSISDBHSA-N 3 2 348.510 2.399 20 10 EECDLP COCC1(C[NH2+]Cc2cccc(Br)c2O)CC[NH2+]CC1 ZINC000841068572 1315466573 /nfs/dbraw/zinc/46/65/73/1315466573.db2.gz REDOZOPFCLKHDB-UHFFFAOYSA-N 2 2 343.265 2.261 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2)CC1 ZINC001205832035 1323312997 /nfs/dbraw/zinc/31/29/97/1323312997.db2.gz YZBJRFCNNCBBNQ-YLJYHZDGSA-N 3 2 330.520 2.388 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)CC[C@@H]3C[NH3+])cc2)CC1 ZINC001205832035 1323313005 /nfs/dbraw/zinc/31/30/05/1323313005.db2.gz YZBJRFCNNCBBNQ-YLJYHZDGSA-N 3 2 330.520 2.388 20 10 EECDLP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cn1cc[nH+]c1 ZINC001321649629 1333138117 /nfs/dbraw/zinc/13/81/17/1333138117.db2.gz ABVOWQBSDUCVFI-INIZCTEOSA-N 3 2 345.466 2.200 20 10 EECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@@H](O)C[N@@H+](C)CC ZINC000846808929 790634909 /nfs/dbraw/zinc/63/49/09/790634909.db2.gz VILMBDZHQNGCNR-AWEZNQCLSA-N 2 2 345.281 2.289 20 10 EECDLP CC[NH+](Cc1cc(Br)ccc1O)C[C@@H](O)C[N@H+](C)CC ZINC000846808929 790634915 /nfs/dbraw/zinc/63/49/15/790634915.db2.gz VILMBDZHQNGCNR-AWEZNQCLSA-N 2 2 345.281 2.289 20 10 EECDLP CC[NH+](C)C[C@H](O)C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000846808929 790634920 /nfs/dbraw/zinc/63/49/20/790634920.db2.gz VILMBDZHQNGCNR-AWEZNQCLSA-N 2 2 345.281 2.289 20 10 EECDLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)Cc1cc(Br)ccc1O ZINC000846808929 790634924 /nfs/dbraw/zinc/63/49/24/790634924.db2.gz VILMBDZHQNGCNR-AWEZNQCLSA-N 2 2 345.281 2.289 20 10 EECDLP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c[nH+]ccc1N ZINC000817889776 785024292 /nfs/dbraw/zinc/02/42/92/785024292.db2.gz VODLYURWDUKBNM-ZDUSSCGKSA-N 2 2 330.407 2.321 20 10 EECDLP C[N@H+](CCN1CCCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846114416 790055428 /nfs/dbraw/zinc/05/54/28/790055428.db2.gz KUFMBHJFQSNQEH-UHFFFAOYSA-N 2 2 330.520 2.356 20 10 EECDLP C[N@@H+](CCN1CCCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846114416 790055431 /nfs/dbraw/zinc/05/54/31/790055431.db2.gz KUFMBHJFQSNQEH-UHFFFAOYSA-N 2 2 330.520 2.356 20 10 EECDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113329315 529778575 /nfs/dbraw/zinc/77/85/75/529778575.db2.gz LYVGXQBXUYGGKZ-UHFFFAOYSA-N 2 2 346.862 2.482 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3[nH]ncc3C)cc2F)CC1 ZINC000289478977 464080440 /nfs/dbraw/zinc/08/04/40/464080440.db2.gz JVBJFKAINRFSGT-UHFFFAOYSA-N 2 2 331.439 2.289 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3n[nH]cc3C)cc2F)CC1 ZINC000289478977 464080461 /nfs/dbraw/zinc/08/04/61/464080461.db2.gz JVBJFKAINRFSGT-UHFFFAOYSA-N 2 2 331.439 2.289 20 10 EECDLP Cc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1C ZINC000285488690 464582908 /nfs/dbraw/zinc/58/29/08/464582908.db2.gz LXBYDUZXIZNNRI-AYHJJNSGSA-N 2 2 345.487 2.182 20 10 EECDLP Cc1cc(O)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1C ZINC000285488690 464582915 /nfs/dbraw/zinc/58/29/15/464582915.db2.gz LXBYDUZXIZNNRI-AYHJJNSGSA-N 2 2 345.487 2.182 20 10 EECDLP COc1ccc([NH+]2CCC(Nc3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000302030495 466082295 /nfs/dbraw/zinc/08/22/95/466082295.db2.gz NBVAATBZWCFSBA-UHFFFAOYSA-N 2 2 326.400 2.270 20 10 EECDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790398 577707789 /nfs/dbraw/zinc/70/77/89/577707789.db2.gz ZDNIQBDKVFYIFQ-XPTSAGLGSA-N 2 2 347.228 2.011 20 10 EECDLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)c(F)cc1O ZINC000762790398 577707790 /nfs/dbraw/zinc/70/77/90/577707790.db2.gz ZDNIQBDKVFYIFQ-XPTSAGLGSA-N 2 2 347.228 2.011 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)[C@H](C)C(C)C)CC2)cc1 ZINC000754001095 577798338 /nfs/dbraw/zinc/79/83/38/577798338.db2.gz XYGZAOLBXWNVHU-MJGOQNOKSA-N 2 2 349.519 2.154 20 10 EECDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)C)CC2)cc1 ZINC000754001095 577798339 /nfs/dbraw/zinc/79/83/39/577798339.db2.gz XYGZAOLBXWNVHU-MJGOQNOKSA-N 2 2 349.519 2.154 20 10 EECDLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169001 1205811296 /nfs/dbraw/zinc/81/12/96/1205811296.db2.gz MKOMEARNWYJPBY-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169001 1205811297 /nfs/dbraw/zinc/81/12/97/1205811297.db2.gz MKOMEARNWYJPBY-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169001 1205811298 /nfs/dbraw/zinc/81/12/98/1205811298.db2.gz MKOMEARNWYJPBY-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC(=O)N(C)C)C3)C2)c(O)c1 ZINC001276169001 1205811300 /nfs/dbraw/zinc/81/13/00/1205811300.db2.gz MKOMEARNWYJPBY-FQEVSTJZSA-N 2 2 345.487 2.077 20 10 EECDLP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC1=O ZINC001236930587 1305733568 /nfs/dbraw/zinc/73/35/68/1305733568.db2.gz DPYIQYDEVHNSTF-OAHLLOKOSA-N 2 2 333.451 2.379 20 10 EECDLP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC1=O ZINC001236930587 1305733574 /nfs/dbraw/zinc/73/35/74/1305733574.db2.gz DPYIQYDEVHNSTF-OAHLLOKOSA-N 2 2 333.451 2.379 20 10 EECDLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)n(C)n3)cc2F)CC1 ZINC000840895759 1315429567 /nfs/dbraw/zinc/42/95/67/1315429567.db2.gz VPEYLEQKNUFEPQ-UHFFFAOYSA-N 2 2 345.466 2.299 20 10 EECDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1N1CCCCC1 ZINC000841087279 1315471537 /nfs/dbraw/zinc/47/15/37/1315471537.db2.gz TUCGYAARMNSSEI-INIZCTEOSA-N 2 2 348.447 2.053 20 10 EECDLP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1N1CCOCC1 ZINC000843129720 1315849750 /nfs/dbraw/zinc/84/97/50/1315849750.db2.gz YSIYQTDGBXPRED-GOSISDBHSA-N 2 2 333.451 2.427 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000691461519 1371205709 /nfs/dbraw/zinc/20/57/09/1371205709.db2.gz IQJFRDZNCKVRHY-KBPBESRZSA-N 2 2 341.249 2.108 20 10 EECDLP Oc1cc(Br)ccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000691461519 1371205704 /nfs/dbraw/zinc/20/57/04/1371205704.db2.gz IQJFRDZNCKVRHY-KBPBESRZSA-N 2 2 341.249 2.108 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273601769 464722042 /nfs/dbraw/zinc/72/20/42/464722042.db2.gz SBUYLJBXMFTERG-RDJZCZTQSA-N 2 2 333.476 2.294 20 10 EECDLP Cc1ccc(O)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000273601769 464722046 /nfs/dbraw/zinc/72/20/46/464722046.db2.gz SBUYLJBXMFTERG-RDJZCZTQSA-N 2 2 333.476 2.294 20 10 EECDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000774145304 577385640 /nfs/dbraw/zinc/38/56/40/577385640.db2.gz XCFVBQWKRIZQJD-SNVBAGLBSA-N 2 2 346.258 2.124 20 10 EECDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787960 577707733 /nfs/dbraw/zinc/70/77/33/577707733.db2.gz OUJOGOJNTDNGBU-YMTOWFKASA-N 2 2 347.228 2.011 20 10 EECDLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)cc(F)c1O ZINC000762787960 577707734 /nfs/dbraw/zinc/70/77/34/577707734.db2.gz OUJOGOJNTDNGBU-YMTOWFKASA-N 2 2 347.228 2.011 20 10 EECDLP COC[C@H]([NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1)C1CC1 ZINC000162836742 694418345 /nfs/dbraw/zinc/41/83/45/694418345.db2.gz SBVBTNOSSYEREN-FQEVSTJZSA-N 2 2 347.503 2.222 20 10 EECDLP C[NH+]1CCN(c2ccc(CNC(=O)c3cccc4[nH+]ccn43)cc2)CC1 ZINC000881851638 1201774688 /nfs/dbraw/zinc/77/46/88/1201774688.db2.gz XQJOVOQYYNWOQM-UHFFFAOYSA-N 2 2 349.438 2.016 20 10 EECDLP Oc1c(F)cc(F)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000883014729 1201996328 /nfs/dbraw/zinc/99/63/28/1201996328.db2.gz ZDERSQMUUMEWTK-LBPRGKRZSA-N 2 2 326.387 2.261 20 10 EECDLP CN1CC2(C1)CCC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001276791121 1297736093 /nfs/dbraw/zinc/73/60/93/1297736093.db2.gz YBGSIXQFFBZNIL-UHFFFAOYSA-N 2 2 346.494 2.105 20 10 EECDLP CN1CC2(C1)CCC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001276791121 1297736100 /nfs/dbraw/zinc/73/61/00/1297736100.db2.gz YBGSIXQFFBZNIL-UHFFFAOYSA-N 2 2 346.494 2.105 20 10 EECDLP OC1CCN(c2ccc(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235118468 1305119228 /nfs/dbraw/zinc/11/92/28/1305119228.db2.gz FSJCZYXICAAWPZ-HXUWFJFHSA-N 2 2 329.488 2.366 20 10 EECDLP OC1CCN(c2ccc(C[N@H+]3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235118468 1305119231 /nfs/dbraw/zinc/11/92/31/1305119231.db2.gz FSJCZYXICAAWPZ-HXUWFJFHSA-N 2 2 329.488 2.366 20 10 EECDLP Oc1c(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235208905 1305149264 /nfs/dbraw/zinc/14/92/64/1305149264.db2.gz AQTCYRXAYOCHAR-QAPCUYQASA-N 2 2 327.472 2.275 20 10 EECDLP Oc1c(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235208905 1305149266 /nfs/dbraw/zinc/14/92/66/1305149266.db2.gz AQTCYRXAYOCHAR-QAPCUYQASA-N 2 2 327.472 2.275 20 10 EECDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316750 463961171 /nfs/dbraw/zinc/96/11/71/463961171.db2.gz XLZUKXIWDQBHSL-CYBMUJFWSA-N 2 2 337.420 2.473 20 10 EECDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316750 463961176 /nfs/dbraw/zinc/96/11/76/463961176.db2.gz XLZUKXIWDQBHSL-CYBMUJFWSA-N 2 2 337.420 2.473 20 10 EECDLP COc1c(O)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120977 /nfs/dbraw/zinc/12/09/77/464120977.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120979 /nfs/dbraw/zinc/12/09/79/464120979.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120983 /nfs/dbraw/zinc/12/09/83/464120983.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP COc1c(O)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120987 /nfs/dbraw/zinc/12/09/87/464120987.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 2 2 335.404 2.225 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(O)(c4ccccc4)C3)cc2)CC1 ZINC000811509142 1200116940 /nfs/dbraw/zinc/11/69/40/1200116940.db2.gz PNFYNJQASBYVJA-UHFFFAOYSA-N 2 2 337.467 2.142 20 10 EECDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000883370252 1202054499 /nfs/dbraw/zinc/05/44/99/1202054499.db2.gz INTBKJBRVYQRAL-MSOLQXFVSA-N 2 2 347.503 2.148 20 10 EECDLP Oc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952766 1205600306 /nfs/dbraw/zinc/60/03/06/1205600306.db2.gz MRMHBUIXSXBFJT-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952766 1205600307 /nfs/dbraw/zinc/60/03/07/1205600307.db2.gz MRMHBUIXSXBFJT-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952766 1205600308 /nfs/dbraw/zinc/60/03/08/1205600308.db2.gz MRMHBUIXSXBFJT-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP Oc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cn[nH]c4)C3)C2)c(O)c1 ZINC001275952766 1205600309 /nfs/dbraw/zinc/60/03/09/1205600309.db2.gz MRMHBUIXSXBFJT-IBGZPJMESA-N 2 2 342.443 2.309 20 10 EECDLP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCCC1=O ZINC001236933040 1305735995 /nfs/dbraw/zinc/73/59/95/1305735995.db2.gz SXKGOQWGIJFDCN-HNNXBMFYSA-N 2 2 333.451 2.379 20 10 EECDLP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCCC1=O ZINC001236933040 1305736005 /nfs/dbraw/zinc/73/60/05/1305736005.db2.gz SXKGOQWGIJFDCN-HNNXBMFYSA-N 2 2 333.451 2.379 20 10 EECDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000841044576 1315462142 /nfs/dbraw/zinc/46/21/42/1315462142.db2.gz DJAQYFFKDPMLHE-INIZCTEOSA-N 2 2 344.425 2.369 20 10 EECDLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCO)c3ccco3)cc2F)CC1 ZINC001320584021 1332915472 /nfs/dbraw/zinc/91/54/72/1332915472.db2.gz OTWJPFNRULZJNM-KRWDZBQOSA-N 2 2 347.434 2.384 20 10 EECDLP C[NH+]1CCN(c2ccc(CNc3[nH+]cnc4[nH]cc(F)c43)cc2)CC1 ZINC001167423097 758343785 /nfs/dbraw/zinc/34/37/85/758343785.db2.gz NAJOCHOIVYSAOQ-UHFFFAOYSA-N 2 2 340.406 2.413 20 10 EECDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1(C(=O)OC)CCC1 ZINC000817939445 785087220 /nfs/dbraw/zinc/08/72/20/785087220.db2.gz BFVNOUUHFPDHDK-IAGOWNOFSA-N 2 2 333.476 2.464 20 10 EECDLP COc1c(O)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000368136290 466582104 /nfs/dbraw/zinc/58/21/04/466582104.db2.gz UPIYJXXGEUGGSD-GFCCVEGCSA-N 2 2 332.360 2.032 20 10 EECDLP COc1c(O)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1[N+](=O)[O-] ZINC000368136290 466582109 /nfs/dbraw/zinc/58/21/09/466582109.db2.gz UPIYJXXGEUGGSD-GFCCVEGCSA-N 2 2 332.360 2.032 20 10 EECDLP COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)[C@H]3CCCO3)CC2)cc1 ZINC000753609750 577790657 /nfs/dbraw/zinc/79/06/57/577790657.db2.gz GZEDLHJJEZHHRN-YLJYHZDGSA-N 2 2 347.503 2.364 20 10 EECDLP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)cc1C ZINC000987070734 689307381 /nfs/dbraw/zinc/30/73/81/689307381.db2.gz SKFGQTWOTNVNSI-WMLDXEAASA-N 2 2 342.443 2.048 20 10 EECDLP Cc1ccc(C)c(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)c1O ZINC001275968604 1205607836 /nfs/dbraw/zinc/60/78/36/1205607836.db2.gz FEHUVGIGOUSKNY-UHFFFAOYSA-N 2 2 326.444 2.166 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000858468526 1294125745 /nfs/dbraw/zinc/12/57/45/1294125745.db2.gz IIULCLXKTXIURF-CABCVRRESA-N 2 2 339.867 2.426 20 10 EECDLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc(Cl)ccc1O ZINC000858468526 1294125747 /nfs/dbraw/zinc/12/57/47/1294125747.db2.gz IIULCLXKTXIURF-CABCVRRESA-N 2 2 339.867 2.426 20 10 EECDLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469051 1294126115 /nfs/dbraw/zinc/12/61/15/1294126115.db2.gz OEBZWWVISJWBLS-YUTCNCBUSA-N 2 2 335.423 2.009 20 10 EECDLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2c1c(F)ccc2O ZINC000858469051 1294126119 /nfs/dbraw/zinc/12/61/19/1294126119.db2.gz OEBZWWVISJWBLS-YUTCNCBUSA-N 2 2 335.423 2.009 20 10 EECDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222389870 1299532939 /nfs/dbraw/zinc/53/29/39/1299532939.db2.gz HTECNIYPQMGRBT-FQEVSTJZSA-N 3 2 328.504 2.204 20 10 EECDLP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222389870 1299532946 /nfs/dbraw/zinc/53/29/46/1299532946.db2.gz HTECNIYPQMGRBT-FQEVSTJZSA-N 3 2 328.504 2.204 20 10 EECDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(I)cc1O ZINC001232974224 1304312076 /nfs/dbraw/zinc/31/20/76/1304312076.db2.gz IRFNQZJLRVQZQO-UHFFFAOYSA-N 2 2 348.228 2.380 20 10 EECDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(I)cc1O ZINC001232974224 1304312084 /nfs/dbraw/zinc/31/20/84/1304312084.db2.gz IRFNQZJLRVQZQO-UHFFFAOYSA-N 2 2 348.228 2.380 20 10 EECDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccccc2-n2cncn2)cc1 ZINC000841041444 1315461458 /nfs/dbraw/zinc/46/14/58/1315461458.db2.gz CHOSUJYNPDVJNY-GOSISDBHSA-N 2 2 336.443 2.123 20 10 EECDLP COC(=O)Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c(O)c1 ZINC001249216564 1317024228 /nfs/dbraw/zinc/02/42/28/1317024228.db2.gz DNHGSNMHPRBTBM-UHFFFAOYSA-N 2 2 334.460 2.412 20 10 EECDLP COC(=O)Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c(O)c1 ZINC001249216564 1317024238 /nfs/dbraw/zinc/02/42/38/1317024238.db2.gz DNHGSNMHPRBTBM-UHFFFAOYSA-N 2 2 334.460 2.412 20 10 EECDLP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]2C1 ZINC001140667159 1372630289 /nfs/dbraw/zinc/63/02/89/1372630289.db2.gz JICWOBHCPBGGIX-QZTJIDSGSA-N 2 2 347.478 2.436 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001167979089 781350806 /nfs/dbraw/zinc/35/08/06/781350806.db2.gz PWKMYYPAVAYRTQ-HNNXBMFYSA-N 2 2 344.459 2.201 20 10 EECDLP COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001167979089 781350811 /nfs/dbraw/zinc/35/08/11/781350811.db2.gz PWKMYYPAVAYRTQ-HNNXBMFYSA-N 2 2 344.459 2.201 20 10 EECDLP COc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(O)cc1Br ZINC001205124379 795387179 /nfs/dbraw/zinc/38/71/79/795387179.db2.gz POVYSFOMIPRWCJ-NSHDSACASA-N 2 2 329.238 2.477 20 10 EECDLP COc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(O)cc1Br ZINC001205124379 795387184 /nfs/dbraw/zinc/38/71/84/795387184.db2.gz POVYSFOMIPRWCJ-NSHDSACASA-N 2 2 329.238 2.477 20 10 EECDLP