smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CC[N@@H+]1CC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616612110 349477629 /nfs/dbraw/zinc/47/76/29/349477629.db2.gz NTNPMNWFRFUGPK-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616612110 349477631 /nfs/dbraw/zinc/47/76/31/349477631.db2.gz NTNPMNWFRFUGPK-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C2)c(C)n1C ZINC000052790449 178039537 /nfs/dbraw/zinc/03/95/37/178039537.db2.gz GBTJWYPKRDPXRS-ZDUSSCGKSA-N 2 2 221.348 1.436 10 0 BDAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)C2)c(C)n1C ZINC000052790449 178039539 /nfs/dbraw/zinc/03/95/39/178039539.db2.gz GBTJWYPKRDPXRS-ZDUSSCGKSA-N 2 2 221.348 1.436 10 0 BDAELP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCS[C@@H](C)C1 ZINC000123486401 187326521 /nfs/dbraw/zinc/32/65/21/187326521.db2.gz ZZINLQPUJPNSSQ-WDEREUQCSA-N 2 2 216.394 1.797 10 0 BDAELP CC(C)C[C@@H]([NH3+])C[N@H+]1CCS[C@@H](C)C1 ZINC000123486401 187326523 /nfs/dbraw/zinc/32/65/23/187326523.db2.gz ZZINLQPUJPNSSQ-WDEREUQCSA-N 2 2 216.394 1.797 10 0 BDAELP Cc1cc(N(C)CC[NH+]2CCCC2)[nH+]cc1N ZINC000077369977 178098689 /nfs/dbraw/zinc/09/86/89/178098689.db2.gz PHJAKAIFXZDHLI-UHFFFAOYSA-N 2 2 234.347 1.504 10 0 BDAELP Cc1cc(N(CC[NH3+])C2CCCCC2)nc[nH+]1 ZINC000104318274 178102427 /nfs/dbraw/zinc/10/24/27/178102427.db2.gz PTVLOMQCKLXTDG-UHFFFAOYSA-N 2 2 234.347 1.883 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc(CO)c2)C1 ZINC000616622035 398207088 /nfs/dbraw/zinc/20/70/88/398207088.db2.gz ZBQOIUBLIVAECL-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc(CO)c2)C1 ZINC000616622035 398207092 /nfs/dbraw/zinc/20/70/92/398207092.db2.gz ZBQOIUBLIVAECL-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc[nH+]1 ZINC000119787439 178137566 /nfs/dbraw/zinc/13/75/66/178137566.db2.gz PEAFGQASNCHIRY-LBPRGKRZSA-N 2 2 248.330 1.558 10 0 BDAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC)C2)C1(C)C ZINC000336894358 398218280 /nfs/dbraw/zinc/21/82/80/398218280.db2.gz LVPKOAAGURNIRL-YNEHKIRRSA-N 2 2 240.391 1.874 10 0 BDAELP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000336894358 398218283 /nfs/dbraw/zinc/21/82/83/398218283.db2.gz LVPKOAAGURNIRL-YNEHKIRRSA-N 2 2 240.391 1.874 10 0 BDAELP Cc1cc(N[C@H](C)CCCC[NH3+])nc[nH+]1 ZINC000308834877 178185890 /nfs/dbraw/zinc/18/58/90/178185890.db2.gz KVKHEROOTUNLLP-SECBINFHSA-N 2 2 208.309 1.714 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccnc3ccccc32)C1 ZINC000616613114 349600360 /nfs/dbraw/zinc/60/03/60/349600360.db2.gz YHGRAMQAAROHDX-LBPRGKRZSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccnc3ccccc32)C1 ZINC000616613114 349600364 /nfs/dbraw/zinc/60/03/64/349600364.db2.gz YHGRAMQAAROHDX-LBPRGKRZSA-N 2 2 241.338 1.983 10 0 BDAELP c1ccc2c(c1)SC[C@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335517775 398290203 /nfs/dbraw/zinc/29/02/03/398290203.db2.gz YTTFTTXQRCKFQS-GHMZBOCLSA-N 2 2 234.368 1.827 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cocn2)c[nH+]1 ZINC000191976475 538993771 /nfs/dbraw/zinc/99/37/71/538993771.db2.gz KORNAGSXIGDZBZ-LBPRGKRZSA-N 2 2 232.287 1.536 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cocn2)c[nH+]1 ZINC000191976475 538993773 /nfs/dbraw/zinc/99/37/73/538993773.db2.gz KORNAGSXIGDZBZ-LBPRGKRZSA-N 2 2 232.287 1.536 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000072201040 343069799 /nfs/dbraw/zinc/06/97/99/343069799.db2.gz GGOORWITWKRVOO-QMMMGPOBSA-N 2 2 222.185 1.803 10 0 BDAELP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC(C)(C)O ZINC000049501469 343110575 /nfs/dbraw/zinc/11/05/75/343110575.db2.gz BUDHUZVTDWKRII-NSHDSACASA-N 2 2 214.353 1.221 10 0 BDAELP [NH3+]C[C@@H](c1c[nH+]c[nH]1)N1CCOc2ccccc21 ZINC000200227736 343275081 /nfs/dbraw/zinc/27/50/81/343275081.db2.gz FMJHMAJJRBJCCT-LBPRGKRZSA-N 2 2 244.298 1.309 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000070624206 343336030 /nfs/dbraw/zinc/33/60/30/343336030.db2.gz MGUQWTFCXPKLAE-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000070624206 343336031 /nfs/dbraw/zinc/33/60/31/343336031.db2.gz MGUQWTFCXPKLAE-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP Nc1ccc(SC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000043497565 187266967 /nfs/dbraw/zinc/26/69/67/187266967.db2.gz VXVHXOMIEHLZSR-MRVPVSSYSA-N 2 2 209.318 1.508 10 0 BDAELP C=Cc1ccc(C[NH2+]CCC[NH2+]CCC[NH3+])cc1 ZINC000167734948 343605437 /nfs/dbraw/zinc/60/54/37/343605437.db2.gz OTNNSZGRZKFGSL-UHFFFAOYSA-N 3 2 247.386 1.748 10 0 BDAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCF)CC2)CCO1 ZINC000178325600 346952494 /nfs/dbraw/zinc/95/24/94/346952494.db2.gz BJHBBZPRCGQXBS-GFCCVEGCSA-N 2 2 244.354 1.531 10 0 BDAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCF)CC2)CCO1 ZINC000178325600 346952498 /nfs/dbraw/zinc/95/24/98/346952498.db2.gz BJHBBZPRCGQXBS-GFCCVEGCSA-N 2 2 244.354 1.531 10 0 BDAELP CCCC[C@@H](C[NH3+])Nc1cc[nH+]c(C)n1 ZINC000087780243 343660502 /nfs/dbraw/zinc/66/05/02/343660502.db2.gz TXCFKPAQVYGSJI-JTQLQIEISA-N 2 2 208.309 1.714 10 0 BDAELP C[NH+](C)c1ccc(N2CCC[NH2+]CCC2)cc1 ZINC000049666431 187270309 /nfs/dbraw/zinc/27/03/09/187270309.db2.gz YMJKFTVBQZMFGN-UHFFFAOYSA-N 2 2 233.359 1.942 10 0 BDAELP CC(C)=Cc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000409427737 343801605 /nfs/dbraw/zinc/80/16/05/343801605.db2.gz CBGWAVOXYSBPOG-UHFFFAOYSA-N 2 2 232.331 1.618 10 0 BDAELP [NH3+]CC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409429598 343806205 /nfs/dbraw/zinc/80/62/05/343806205.db2.gz OTQJLZQOJWJNRS-IUCAKERBSA-N 2 2 204.264 1.312 10 0 BDAELP [NH3+]CC[N@H+]1C[C@@H]2CCCC(F)(F)[C@H]2C1 ZINC000409429598 343806206 /nfs/dbraw/zinc/80/62/06/343806206.db2.gz OTQJLZQOJWJNRS-IUCAKERBSA-N 2 2 204.264 1.312 10 0 BDAELP C[N@@H+]1CCSC[C@H]1[C@@H]([NH3+])C(C)(C)C ZINC000234349472 343943733 /nfs/dbraw/zinc/94/37/33/343943733.db2.gz LQQWGSUQSARKGW-DTWKUNHWSA-N 2 2 202.367 1.407 10 0 BDAELP C[N@H+]1CCSC[C@H]1[C@@H]([NH3+])C(C)(C)C ZINC000234349472 343943734 /nfs/dbraw/zinc/94/37/34/343943734.db2.gz LQQWGSUQSARKGW-DTWKUNHWSA-N 2 2 202.367 1.407 10 0 BDAELP C[C@@]1(C[NH+]2CCSCC2)CCCC[NH2+]1 ZINC000127331937 344140996 /nfs/dbraw/zinc/14/09/96/344140996.db2.gz OJQJKUYXDZPNGJ-NSHDSACASA-N 2 2 214.378 1.567 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCOC)C1 ZINC000045037655 344554534 /nfs/dbraw/zinc/55/45/34/344554534.db2.gz NAWOLJLYZKUKOG-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCOC)C1 ZINC000045037655 344554536 /nfs/dbraw/zinc/55/45/36/344554536.db2.gz NAWOLJLYZKUKOG-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP C[C@H]1CCc2[nH+]c([C@@H]3CCC[NH2+]C3)cn2C1 ZINC000258230884 345780573 /nfs/dbraw/zinc/78/05/73/345780573.db2.gz GXITXCLQXGHBAP-WDEREUQCSA-N 2 2 219.332 1.932 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@]2(CC[NH2+]C2)O1 ZINC000669371690 537948322 /nfs/dbraw/zinc/94/83/22/537948322.db2.gz QEFGLKSVHNKOKI-DZGCQCFKSA-N 2 2 246.354 1.639 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CC[NH2+]C2)O1 ZINC000669371690 537948327 /nfs/dbraw/zinc/94/83/27/537948327.db2.gz QEFGLKSVHNKOKI-DZGCQCFKSA-N 2 2 246.354 1.639 10 0 BDAELP C[NH+]1CCN(Nc2ccc(Cl)c[nH+]2)CC1 ZINC000148455474 346147162 /nfs/dbraw/zinc/14/71/62/346147162.db2.gz VNZJSOKMEGQSMW-UHFFFAOYSA-N 2 2 226.711 1.309 10 0 BDAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061917326 346180271 /nfs/dbraw/zinc/18/02/71/346180271.db2.gz XYTDBFGQTNJVBH-AXFHLTTASA-N 2 2 200.326 1.094 10 0 BDAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000061917326 346180273 /nfs/dbraw/zinc/18/02/73/346180273.db2.gz XYTDBFGQTNJVBH-AXFHLTTASA-N 2 2 200.326 1.094 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378411 537966183 /nfs/dbraw/zinc/96/61/83/537966183.db2.gz DMZJLPXVXFRWJC-AGIUHOORSA-N 3 2 225.380 1.045 10 0 BDAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378411 537966189 /nfs/dbraw/zinc/96/61/89/537966189.db2.gz DMZJLPXVXFRWJC-AGIUHOORSA-N 3 2 225.380 1.045 10 0 BDAELP C[C@@H]1CCS[C@]2(CC[NH2+]C[C@@H]2C)[NH2+]1 ZINC000229565585 346437809 /nfs/dbraw/zinc/43/78/09/346437809.db2.gz RQEGCTUXWWQDLD-AEJSXWLSSA-N 2 2 200.351 1.427 10 0 BDAELP c1csc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)n1 ZINC000309624198 347123203 /nfs/dbraw/zinc/12/32/03/347123203.db2.gz PURYPGOSKPJCDL-VIFPVBQESA-N 2 2 234.328 1.444 10 0 BDAELP [NH3+]CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)o1 ZINC000038525134 347165202 /nfs/dbraw/zinc/16/52/02/347165202.db2.gz BVLCIEXDCSICGJ-UHFFFAOYSA-N 3 2 237.347 1.314 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@H+](CCO)C2CC2)c1 ZINC000042967505 179184336 /nfs/dbraw/zinc/18/43/36/179184336.db2.gz ZWVNYFBKUHYLDB-CQSZACIVSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](CCO)C2CC2)c1 ZINC000042967505 179184337 /nfs/dbraw/zinc/18/43/37/179184337.db2.gz ZWVNYFBKUHYLDB-CQSZACIVSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[NH+]2CCC(O)CC2)c1 ZINC000042965533 179188836 /nfs/dbraw/zinc/18/88/36/179188836.db2.gz ULPGOYGYUWCLID-IUODEOHRSA-N 2 2 248.370 1.840 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2cccs2)C[C@H]1[NH3+] ZINC000251675818 362896973 /nfs/dbraw/zinc/89/69/73/362896973.db2.gz LZZFYDANFIDSRD-MWLCHTKSSA-N 2 2 210.346 1.917 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2cccs2)C[C@H]1[NH3+] ZINC000251675818 362896977 /nfs/dbraw/zinc/89/69/77/362896977.db2.gz LZZFYDANFIDSRD-MWLCHTKSSA-N 2 2 210.346 1.917 10 0 BDAELP Cc1[nH+]c2cc(N)ccc2n1Cc1[nH+]ccn1C ZINC000071275904 180082557 /nfs/dbraw/zinc/08/25/57/180082557.db2.gz GRAPFVOTMCGDIF-UHFFFAOYSA-N 2 2 241.298 1.709 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)[C@H]1CCOC1 ZINC000133057105 191036598 /nfs/dbraw/zinc/03/65/98/191036598.db2.gz ZOPFOLRNHQGBIC-MJBXVCDLSA-N 2 2 240.391 1.875 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)[C@H]1CCOC1 ZINC000133057105 191036601 /nfs/dbraw/zinc/03/66/01/191036601.db2.gz ZOPFOLRNHQGBIC-MJBXVCDLSA-N 2 2 240.391 1.875 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC1 ZINC000053649489 180250708 /nfs/dbraw/zinc/25/07/08/180250708.db2.gz FSEPRUVQAVFKLY-AWEZNQCLSA-N 3 2 248.374 1.408 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[NH2+]C1CC1 ZINC000053649489 180250710 /nfs/dbraw/zinc/25/07/10/180250710.db2.gz FSEPRUVQAVFKLY-AWEZNQCLSA-N 3 2 248.374 1.408 10 0 BDAELP Cc1[nH+]cn(-c2ccc(C[NH2+]C3CC3)nn2)c1C ZINC000051928448 180284941 /nfs/dbraw/zinc/28/49/41/180284941.db2.gz JKYINXCGYRJQEO-UHFFFAOYSA-N 2 2 243.314 1.531 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336654075 350597669 /nfs/dbraw/zinc/59/76/69/350597669.db2.gz JYAZMTBJFHXYCZ-OLZOCXBDSA-N 3 2 227.396 1.578 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336654075 350597671 /nfs/dbraw/zinc/59/76/71/350597671.db2.gz JYAZMTBJFHXYCZ-OLZOCXBDSA-N 3 2 227.396 1.578 10 0 BDAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000251921043 362986291 /nfs/dbraw/zinc/98/62/91/362986291.db2.gz XYTDBFGQTNJVBH-GMTAPVOTSA-N 2 2 200.326 1.094 10 0 BDAELP C[NH2+][C@H](C)[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000251921043 362986292 /nfs/dbraw/zinc/98/62/92/362986292.db2.gz XYTDBFGQTNJVBH-GMTAPVOTSA-N 2 2 200.326 1.094 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000252784529 350915583 /nfs/dbraw/zinc/91/55/83/350915583.db2.gz ONVHVXHCFDWNBS-NXEZZACHSA-N 2 2 221.304 1.264 10 0 BDAELP [NH2+]=C(NCc1c[nH+]c[nH]1)NCc1ccccc1 ZINC000306726502 350896735 /nfs/dbraw/zinc/89/67/35/350896735.db2.gz LZTSOLJXTLMTCH-UHFFFAOYSA-N 2 2 229.287 1.224 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ncco2)CC1 ZINC000616627060 351107821 /nfs/dbraw/zinc/10/78/21/351107821.db2.gz BTARPEVRMGBQQI-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ncco2)CC1 ZINC000616627060 351107826 /nfs/dbraw/zinc/10/78/26/351107826.db2.gz BTARPEVRMGBQQI-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP CNc1cccc([C@@H]2COCCC[N@@H+]2CC[NH3+])c1 ZINC000616645201 351166790 /nfs/dbraw/zinc/16/67/90/351166790.db2.gz MEQYHPZKBLKYST-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1cccc([C@@H]2COCCC[N@H+]2CC[NH3+])c1 ZINC000616645201 351166793 /nfs/dbraw/zinc/16/67/93/351166793.db2.gz MEQYHPZKBLKYST-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP [NH3+]CCN1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616674131 351238039 /nfs/dbraw/zinc/23/80/39/351238039.db2.gz XVIZCKNOWGQBPN-CYBMUJFWSA-N 2 2 242.326 1.446 10 0 BDAELP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CSCC[NH2+]2)C1 ZINC000129365061 351346411 /nfs/dbraw/zinc/34/64/11/351346411.db2.gz XMVATCYKQJRGSV-GMTAPVOTSA-N 2 2 214.378 1.470 10 0 BDAELP COc1ccc([C@H]([C@H](C)[NH3+])n2cc[nH+]c2)cc1 ZINC000042962231 187948248 /nfs/dbraw/zinc/94/82/48/187948248.db2.gz NXUADRIVWJVLBY-GWCFXTLKSA-N 2 2 231.299 1.828 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223180460 353318358 /nfs/dbraw/zinc/31/83/58/353318358.db2.gz RNNMLPMFMPAYGE-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223180460 353318359 /nfs/dbraw/zinc/31/83/59/353318359.db2.gz RNNMLPMFMPAYGE-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP C[C@H]1C[N@H+](Cc2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630078433 363279317 /nfs/dbraw/zinc/27/93/17/363279317.db2.gz UKPVXFWPXOJACA-UWVGGRQHSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630078433 363279321 /nfs/dbraw/zinc/27/93/21/363279321.db2.gz UKPVXFWPXOJACA-UWVGGRQHSA-N 2 2 239.750 1.762 10 0 BDAELP CCN1CCC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000040502074 358492794 /nfs/dbraw/zinc/49/27/94/358492794.db2.gz LNYUDHTWTDOXCO-AWEZNQCLSA-N 2 2 239.407 1.545 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639268382 355328504 /nfs/dbraw/zinc/32/85/04/355328504.db2.gz ZUSCWSQHPIBTRH-YVECIDJPSA-N 2 2 208.349 1.716 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639268382 355328508 /nfs/dbraw/zinc/32/85/08/355328508.db2.gz ZUSCWSQHPIBTRH-YVECIDJPSA-N 2 2 208.349 1.716 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000335788330 355439460 /nfs/dbraw/zinc/43/94/60/355439460.db2.gz GVIBIGBJHIQNGP-RYUDHWBXSA-N 2 2 236.363 1.646 10 0 BDAELP NC(=[NH2+])c1cccc(Cn2cc[nH+]c2)c1 ZINC000019473772 181196403 /nfs/dbraw/zinc/19/64/03/181196403.db2.gz DDKWFOODEYUIQQ-UHFFFAOYSA-N 2 2 200.245 1.215 10 0 BDAELP NC(=[NH2+])c1cnc(C[NH+]2CCCC2)s1 ZINC000082417951 181197964 /nfs/dbraw/zinc/19/79/64/181197964.db2.gz YBVFWJZACYQTHB-UHFFFAOYSA-N 2 2 210.306 1.023 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000389139832 355730657 /nfs/dbraw/zinc/73/06/57/355730657.db2.gz GUKJVMRTDQAHTR-QWRGUYRKSA-N 2 2 214.353 1.484 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)C1 ZINC000389139832 355730658 /nfs/dbraw/zinc/73/06/58/355730658.db2.gz GUKJVMRTDQAHTR-QWRGUYRKSA-N 2 2 214.353 1.484 10 0 BDAELP CCn1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cn1 ZINC000389148977 355731238 /nfs/dbraw/zinc/73/12/38/355731238.db2.gz IYYCBWKSHASQFR-DGCLKSJQSA-N 2 2 236.363 1.648 10 0 BDAELP CCn1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cn1 ZINC000389148977 355731239 /nfs/dbraw/zinc/73/12/39/355731239.db2.gz IYYCBWKSHASQFR-DGCLKSJQSA-N 2 2 236.363 1.648 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000389142886 355731461 /nfs/dbraw/zinc/73/14/61/355731461.db2.gz HODAIQODDNGFDF-RDBSUJKOSA-N 2 2 240.391 1.874 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)C)C2)C1 ZINC000389142886 355731464 /nfs/dbraw/zinc/73/14/64/355731464.db2.gz HODAIQODDNGFDF-RDBSUJKOSA-N 2 2 240.391 1.874 10 0 BDAELP CC[NH2+][C@H](C)CNc1[nH+]c2ccccc2n1C ZINC000395709256 356380720 /nfs/dbraw/zinc/38/07/20/356380720.db2.gz FPOZEDSJQLZJSP-SNVBAGLBSA-N 2 2 232.331 1.405 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000675076648 538511747 /nfs/dbraw/zinc/51/17/47/538511747.db2.gz FMHQUNHIORPYCO-LLVKDONJSA-N 2 2 208.692 1.654 10 0 BDAELP Cc1cc(F)cc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675077981 538515369 /nfs/dbraw/zinc/51/53/69/538515369.db2.gz LRNNVYMXTBOEFH-GFCCVEGCSA-N 2 2 206.264 1.448 10 0 BDAELP Cc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)cnc1C ZINC000675078586 538516006 /nfs/dbraw/zinc/51/60/06/538516006.db2.gz RBFRIGIYCCHJSB-GFCCVEGCSA-N 2 2 203.289 1.012 10 0 BDAELP CCC[NH+](CCC)[C@H]1CC[NH2+]C[C@H]1F ZINC000685948980 538892102 /nfs/dbraw/zinc/89/21/02/538892102.db2.gz ZCZXOBFBZPGXBK-MNOVXSKESA-N 2 2 202.317 1.808 10 0 BDAELP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000130664895 358639852 /nfs/dbraw/zinc/63/98/52/358639852.db2.gz BJZUYLRETWYTEY-XQHKEYJVSA-N 2 2 228.380 1.728 10 0 BDAELP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000130664895 358639855 /nfs/dbraw/zinc/63/98/55/358639855.db2.gz BJZUYLRETWYTEY-XQHKEYJVSA-N 2 2 228.380 1.728 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]CC2(F)CC2)[C@@H](C)C1 ZINC000308570106 491137088 /nfs/dbraw/zinc/13/70/88/491137088.db2.gz BTAWDDOGPBGJHA-UWVGGRQHSA-N 2 2 200.301 1.418 10 0 BDAELP CCCc1cc(N2CCC[NH2+]CC2)nc(C)[nH+]1 ZINC000045951108 359745589 /nfs/dbraw/zinc/74/55/89/359745589.db2.gz ISWIWGHYKPFREF-UHFFFAOYSA-N 2 2 234.347 1.537 10 0 BDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000094449760 360308578 /nfs/dbraw/zinc/30/85/78/360308578.db2.gz MQZCTMQXPIZJRB-CHWSQXEVSA-N 2 2 248.374 1.479 10 0 BDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000094449760 360308583 /nfs/dbraw/zinc/30/85/83/360308583.db2.gz MQZCTMQXPIZJRB-CHWSQXEVSA-N 2 2 248.374 1.479 10 0 BDAELP CC1(C)CS[C@](C)([C@@H]2CCC[NH2+]2)[NH2+]1 ZINC000306573340 360463094 /nfs/dbraw/zinc/46/30/94/360463094.db2.gz HLBQQDCZNJRHRJ-WCBMZHEXSA-N 2 2 200.351 1.570 10 0 BDAELP CSC1CC[NH+]([C@H]2CC[NH2+]C2)CC1 ZINC000300808430 360512998 /nfs/dbraw/zinc/51/29/98/360512998.db2.gz GTENDERFPAIJFE-VIFPVBQESA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@H](C)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000069910059 361016926 /nfs/dbraw/zinc/01/69/26/361016926.db2.gz WKPVACLGJXLSQV-UTLUCORTSA-N 2 2 202.367 1.420 10 0 BDAELP CO[C@@H]1C[N@H+](CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630368090 364084995 /nfs/dbraw/zinc/08/49/95/364084995.db2.gz QGNMQXIMOVUNMS-UONOGXRCSA-N 2 2 249.358 1.062 10 0 BDAELP CO[C@@H]1C[N@@H+](CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630368090 364085003 /nfs/dbraw/zinc/08/50/03/364085003.db2.gz QGNMQXIMOVUNMS-UONOGXRCSA-N 2 2 249.358 1.062 10 0 BDAELP COc1ccc[nH+]c1NCC[C@@H]([NH3+])C(C)C ZINC000630519279 364202003 /nfs/dbraw/zinc/20/20/03/364202003.db2.gz PDUMRSSBDFRQKR-SNVBAGLBSA-N 2 2 223.320 1.876 10 0 BDAELP Cc1cc(N[C@H]2CC[C@H](C[NH3+])CC2)nc[nH+]1 ZINC000630556850 364257695 /nfs/dbraw/zinc/25/76/95/364257695.db2.gz LGXHSGWBSQNQMB-XYPYZODXSA-N 2 2 220.320 1.714 10 0 BDAELP [NH3+]CCCSc1cccc2[nH+]ccn21 ZINC000089201298 181385060 /nfs/dbraw/zinc/38/50/60/181385060.db2.gz OFCKDAWYUGSYHF-UHFFFAOYSA-N 2 2 207.302 1.775 10 0 BDAELP [NH3+]CC[NH2+][C@H]1CSCc2ccccc21 ZINC000037713023 181396862 /nfs/dbraw/zinc/39/68/62/181396862.db2.gz GLQZMDVJUFKQJV-NSHDSACASA-N 2 2 208.330 1.523 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@@H](COC)C(C)C)[C@@H](C)C1 ZINC000381406562 541460978 /nfs/dbraw/zinc/46/09/78/541460978.db2.gz SMOWRADQXYCIQW-AVGNSLFASA-N 2 2 228.380 1.587 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](COC)C(C)C)[C@@H](C)C1 ZINC000381406562 541460985 /nfs/dbraw/zinc/46/09/85/541460985.db2.gz SMOWRADQXYCIQW-AVGNSLFASA-N 2 2 228.380 1.587 10 0 BDAELP CC[C@]1(C[NH+]2CCSCC2)CCC[NH2+]1 ZINC000215393558 370858983 /nfs/dbraw/zinc/85/89/83/370858983.db2.gz OSSWPIRDHRMFQA-LLVKDONJSA-N 2 2 214.378 1.567 10 0 BDAELP CC[C@@]1(C[NH+]2CCSCC2)CCC[NH2+]1 ZINC000215393603 370859239 /nfs/dbraw/zinc/85/92/39/370859239.db2.gz OSSWPIRDHRMFQA-NSHDSACASA-N 2 2 214.378 1.567 10 0 BDAELP CC(C)[NH2+]C[C@H](O)COc1ccc([NH2+]O)cc1 ZINC000033902519 368321940 /nfs/dbraw/zinc/32/19/40/368321940.db2.gz UCGFOKKVSOLRAB-NSHDSACASA-N 2 2 240.303 1.225 10 0 BDAELP FC(F)Cn1c[nH+]cc1[C@H]1CC[NH2+]C1 ZINC000131440555 371605168 /nfs/dbraw/zinc/60/51/68/371605168.db2.gz XPPWFVSGVOYVGD-ZETCQYMHSA-N 2 2 201.220 1.225 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](C[Si](C)(C)C)C1 ZINC000401807141 371820158 /nfs/dbraw/zinc/82/01/58/371820158.db2.gz QZACIXDIFIGWCJ-SNVBAGLBSA-N 2 2 200.402 1.405 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](C[Si](C)(C)C)C1 ZINC000401807141 371820167 /nfs/dbraw/zinc/82/01/67/371820167.db2.gz QZACIXDIFIGWCJ-SNVBAGLBSA-N 2 2 200.402 1.405 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000132490485 371838069 /nfs/dbraw/zinc/83/80/69/371838069.db2.gz JVDWBMOZCXWAAW-ZJUUUORDSA-N 2 2 216.394 1.810 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000132490485 371838077 /nfs/dbraw/zinc/83/80/77/371838077.db2.gz JVDWBMOZCXWAAW-ZJUUUORDSA-N 2 2 216.394 1.810 10 0 BDAELP CC[C@H]([NH3+])[C@H](CO)[N@H+](C)Cc1ccccc1 ZINC000163211803 371953573 /nfs/dbraw/zinc/95/35/73/371953573.db2.gz RFVXHHBFPMCKHD-STQMWFEESA-N 2 2 222.332 1.217 10 0 BDAELP CC[C@H]([NH3+])[C@H](CO)[N@@H+](C)Cc1ccccc1 ZINC000163211803 371953576 /nfs/dbraw/zinc/95/35/76/371953576.db2.gz RFVXHHBFPMCKHD-STQMWFEESA-N 2 2 222.332 1.217 10 0 BDAELP O[C@@]12CCCC[C@@H]1C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000160823854 183217995 /nfs/dbraw/zinc/21/79/95/183217995.db2.gz JTMVGIDWAWFNEJ-ZIAGYGMSSA-N 2 2 249.358 1.510 10 0 BDAELP O[C@@]12CCCC[C@@H]1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000160823854 183217998 /nfs/dbraw/zinc/21/79/98/183217998.db2.gz JTMVGIDWAWFNEJ-ZIAGYGMSSA-N 2 2 249.358 1.510 10 0 BDAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042972426 169166193 /nfs/dbraw/zinc/16/61/93/169166193.db2.gz NFNDRDVIJRRCFJ-ZDUSSCGKSA-N 2 2 240.322 1.530 10 0 BDAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042972426 169166195 /nfs/dbraw/zinc/16/61/95/169166195.db2.gz NFNDRDVIJRRCFJ-ZDUSSCGKSA-N 2 2 240.322 1.530 10 0 BDAELP c1c[nH+]c(CN2CCC[C@H]([NH+]3CCCCC3)C2)[nH]1 ZINC000111232420 183325286 /nfs/dbraw/zinc/32/52/86/183325286.db2.gz DNLNLLVCDKFTHX-ZDUSSCGKSA-N 2 2 248.374 1.860 10 0 BDAELP c1[nH]cc(CC[NH2+]Cc2ccncc2)[nH+]1 ZINC000083142085 183350841 /nfs/dbraw/zinc/35/08/41/183350841.db2.gz MHTADEFBDKQWFE-UHFFFAOYSA-N 2 2 202.261 1.137 10 0 BDAELP c1[nH]c(CC[NH2+]Cc2ccncc2)c[nH+]1 ZINC000083142085 183350843 /nfs/dbraw/zinc/35/08/43/183350843.db2.gz MHTADEFBDKQWFE-UHFFFAOYSA-N 2 2 202.261 1.137 10 0 BDAELP CCC[NH2+]C1CC[NH+](C[C@H]2CC[N@H+](C)C2)CC1 ZINC000037647606 169255809 /nfs/dbraw/zinc/25/58/09/169255809.db2.gz FEHQXKJVHFKRRU-ZDUSSCGKSA-N 3 2 239.407 1.402 10 0 BDAELP CCC[NH2+]C1CC[NH+](C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037647606 169255810 /nfs/dbraw/zinc/25/58/10/169255810.db2.gz FEHQXKJVHFKRRU-ZDUSSCGKSA-N 3 2 239.407 1.402 10 0 BDAELP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC000082369452 183398220 /nfs/dbraw/zinc/39/82/20/183398220.db2.gz ONQYKAILSLKZLP-ZIAGYGMSSA-N 2 2 216.328 1.870 10 0 BDAELP c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC000082369452 183398222 /nfs/dbraw/zinc/39/82/22/183398222.db2.gz ONQYKAILSLKZLP-ZIAGYGMSSA-N 2 2 216.328 1.870 10 0 BDAELP CCC[NH2+][C@@H](C[NH3+])c1cccc(OC)c1OC ZINC000050270518 169279723 /nfs/dbraw/zinc/27/97/23/169279723.db2.gz QQPUGVLAJBDAHY-NSHDSACASA-N 2 2 238.331 1.703 10 0 BDAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425196 169283412 /nfs/dbraw/zinc/28/34/12/169283412.db2.gz YRXPLDNTSCBESJ-IGQOVBAYSA-N 2 2 240.391 1.731 10 0 BDAELP CCC[NH2+][C@@H]1CCOC[C@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425196 169283414 /nfs/dbraw/zinc/28/34/14/169283414.db2.gz YRXPLDNTSCBESJ-IGQOVBAYSA-N 2 2 240.391 1.731 10 0 BDAELP [NH3+]C[C@@H]1[NH2+]CCc2cc(Br)ccc21 ZINC000097757605 384277744 /nfs/dbraw/zinc/27/77/44/384277744.db2.gz GZGHFWYCOLUXKN-JTQLQIEISA-N 2 2 241.132 1.595 10 0 BDAELP O=C1CC[NH2+]C[C@@H]1c1[nH+]ccc2[nH]ccc21 ZINC000074115640 384273682 /nfs/dbraw/zinc/27/36/82/384273682.db2.gz UIQQIDHETBLJQP-VIFPVBQESA-N 2 2 215.256 1.209 10 0 BDAELP O=C(C[NH2+]C[C@H]1CC[NH2+]C1)c1cccs1 ZINC000095072808 384344810 /nfs/dbraw/zinc/34/48/10/384344810.db2.gz NCCSURUIXNEFSZ-VIFPVBQESA-N 2 2 224.329 1.130 10 0 BDAELP C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095074231 384351199 /nfs/dbraw/zinc/35/11/99/384351199.db2.gz MGWVTGRKKDEHIA-HUUCEWRRSA-N 2 2 248.370 1.431 10 0 BDAELP C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095074231 384351204 /nfs/dbraw/zinc/35/12/04/384351204.db2.gz MGWVTGRKKDEHIA-HUUCEWRRSA-N 2 2 248.370 1.431 10 0 BDAELP Cn1cc(Cl)c(C[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000335615168 384389813 /nfs/dbraw/zinc/38/98/13/384389813.db2.gz CLGMXLVYTWFOEK-SECBINFHSA-N 2 2 242.754 1.305 10 0 BDAELP C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000020285701 384609750 /nfs/dbraw/zinc/60/97/50/384609750.db2.gz QEZGAANBMURYQX-XBFCOCLRSA-N 2 2 216.328 1.869 10 0 BDAELP C[C@@H]1C[C@H]2C[NH2+]C[C@@H]2[N@H+]1Cc1ccccc1 ZINC000020285701 384609758 /nfs/dbraw/zinc/60/97/58/384609758.db2.gz QEZGAANBMURYQX-XBFCOCLRSA-N 2 2 216.328 1.869 10 0 BDAELP C[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000106885698 384941955 /nfs/dbraw/zinc/94/19/55/384941955.db2.gz KNLGKCPOEVVTDY-UHFFFAOYSA-N 2 2 205.305 1.480 10 0 BDAELP COC[C@]12C[N@H+](CC(=[NH2+])NO)C[C@H]1CCCC2 ZINC000409428911 385327384 /nfs/dbraw/zinc/32/73/84/385327384.db2.gz GYSWKIOTPULINP-PWSUYJOCSA-N 2 2 241.335 1.081 10 0 BDAELP COC[C@]12C[N@@H+](CC(=[NH2+])NO)C[C@H]1CCCC2 ZINC000409428911 385327393 /nfs/dbraw/zinc/32/73/93/385327393.db2.gz GYSWKIOTPULINP-PWSUYJOCSA-N 2 2 241.335 1.081 10 0 BDAELP Cn1c2ccccc2[nH+]c1N1CCC(C)([NH3+])CC1 ZINC000643028528 385523831 /nfs/dbraw/zinc/52/38/31/385523831.db2.gz NMENANKSDGDBNI-UHFFFAOYSA-N 2 2 244.342 1.891 10 0 BDAELP CCSCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000308550288 385578872 /nfs/dbraw/zinc/57/88/72/385578872.db2.gz XFLDXOBCRVUNQY-MNOVXSKESA-N 2 2 216.394 1.669 10 0 BDAELP CCSCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000308550288 385578873 /nfs/dbraw/zinc/57/88/73/385578873.db2.gz XFLDXOBCRVUNQY-MNOVXSKESA-N 2 2 216.394 1.669 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336725008 385824148 /nfs/dbraw/zinc/82/41/48/385824148.db2.gz BOJKISBOHQHVIZ-LBPRGKRZSA-N 2 2 228.380 1.733 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336725008 385824154 /nfs/dbraw/zinc/82/41/54/385824154.db2.gz BOJKISBOHQHVIZ-LBPRGKRZSA-N 2 2 228.380 1.733 10 0 BDAELP COC[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000397228909 386054657 /nfs/dbraw/zinc/05/46/57/386054657.db2.gz DQMNKBRHHDRHPN-DLOVCJGASA-N 2 2 212.337 1.142 10 0 BDAELP CC[N@@H+]1CCC[C@@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519427007 386442998 /nfs/dbraw/zinc/44/29/98/386442998.db2.gz VTVXGRVFNXQXOA-GFCCVEGCSA-N 2 2 236.363 1.600 10 0 BDAELP CC[N@H+]1CCC[C@@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519427007 386443003 /nfs/dbraw/zinc/44/30/03/386443003.db2.gz VTVXGRVFNXQXOA-GFCCVEGCSA-N 2 2 236.363 1.600 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@]12[NH2+]C(C)(C)CS2 ZINC000307506213 386698388 /nfs/dbraw/zinc/69/83/88/386698388.db2.gz QLYVNHWPYVNYGW-WCBMZHEXSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248656579 386786610 /nfs/dbraw/zinc/78/66/10/386786610.db2.gz RSLKIZCDQVTOQZ-NEPJUHHUSA-N 2 2 235.331 1.196 10 0 BDAELP C[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248656579 386786614 /nfs/dbraw/zinc/78/66/14/386786614.db2.gz RSLKIZCDQVTOQZ-NEPJUHHUSA-N 2 2 235.331 1.196 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000165982904 387041656 /nfs/dbraw/zinc/04/16/56/387041656.db2.gz GFOIEJFWQJSVJS-RDBSUJKOSA-N 2 2 242.407 1.976 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)C(C)C ZINC000165982904 387041658 /nfs/dbraw/zinc/04/16/58/387041658.db2.gz GFOIEJFWQJSVJS-RDBSUJKOSA-N 2 2 242.407 1.976 10 0 BDAELP C/C(=C/Cl)C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC000575484535 387200196 /nfs/dbraw/zinc/20/01/96/387200196.db2.gz YQUTWMCKWNAYNY-MMIMJOASSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC000575484535 387200198 /nfs/dbraw/zinc/20/01/98/387200198.db2.gz YQUTWMCKWNAYNY-MMIMJOASSA-N 2 2 202.729 1.941 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccccc1OC(F)F ZINC000035677013 387437455 /nfs/dbraw/zinc/43/74/55/387437455.db2.gz GCVAABMEBLQOKV-SSDOTTSWSA-N 2 2 202.204 1.247 10 0 BDAELP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422742045 387648328 /nfs/dbraw/zinc/64/83/28/387648328.db2.gz QYUKBKLFXLNFMH-OLZOCXBDSA-N 2 2 220.316 1.326 10 0 BDAELP CC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000151016171 387791932 /nfs/dbraw/zinc/79/19/32/387791932.db2.gz SXRMZESPJNFIHC-MWLCHTKSSA-N 2 2 207.321 1.894 10 0 BDAELP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CSCC[NH2+]2)C1 ZINC000253628437 388622226 /nfs/dbraw/zinc/62/22/26/388622226.db2.gz XMVATCYKQJRGSV-MXWKQRLJSA-N 2 2 214.378 1.470 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCCOC)C1 ZINC000246903969 388655174 /nfs/dbraw/zinc/65/51/74/388655174.db2.gz GAIAFLNSZPSTFJ-CHWSQXEVSA-N 2 2 228.380 1.875 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCCOC)C1 ZINC000246903969 388655176 /nfs/dbraw/zinc/65/51/76/388655176.db2.gz GAIAFLNSZPSTFJ-CHWSQXEVSA-N 2 2 228.380 1.875 10 0 BDAELP C[NH2+]C[C@@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000053706812 132363473 /nfs/dbraw/zinc/36/34/73/132363473.db2.gz XCNNIAGDOZHYSO-NSHDSACASA-N 2 2 220.320 1.363 10 0 BDAELP CC[C@@H](C[NH3+])[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000019274384 132324445 /nfs/dbraw/zinc/32/44/45/132324445.db2.gz AFBRKZKQMPFHDY-AWEZNQCLSA-N 2 2 247.386 1.854 10 0 BDAELP [NH3+]Cc1cc(N2CCO[C@H]3CCC[C@@H]32)cc[nH+]1 ZINC000051397582 132360286 /nfs/dbraw/zinc/36/02/86/132360286.db2.gz UNSILLKUBCPZIS-STQMWFEESA-N 2 2 233.315 1.298 10 0 BDAELP CC1(C)COCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051397844 132360293 /nfs/dbraw/zinc/36/02/93/132360293.db2.gz VLFISJVQCNUZHB-UHFFFAOYSA-N 2 2 221.304 1.156 10 0 BDAELP COCC[NH2+]C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000053703287 132363213 /nfs/dbraw/zinc/36/32/13/132363213.db2.gz JRIDGUQIGBHDQB-ZDUSSCGKSA-N 2 2 249.358 1.534 10 0 BDAELP CC[NH2+]C[C@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054937584 132365144 /nfs/dbraw/zinc/36/51/44/132365144.db2.gz VDEMESAQMDQBEC-GFCCVEGCSA-N 2 2 234.347 1.611 10 0 BDAELP Cc1nc(N2C[C@H](C[NH3+])CC[C@@H]2C)cc[nH+]1 ZINC000054937685 132365365 /nfs/dbraw/zinc/36/53/65/132365365.db2.gz NOTYCRGONVEYMG-ONGXEEELSA-N 2 2 220.320 1.349 10 0 BDAELP Cn1c[nH+]cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000177077738 134297057 /nfs/dbraw/zinc/29/70/57/134297057.db2.gz MHHIHGPQDURYRN-UHFFFAOYSA-N 2 2 234.347 1.090 10 0 BDAELP Cn1c[nH+]cc1CN1CCC[N@H+](C2CC2)CC1 ZINC000177077738 134297058 /nfs/dbraw/zinc/29/70/58/134297058.db2.gz MHHIHGPQDURYRN-UHFFFAOYSA-N 2 2 234.347 1.090 10 0 BDAELP C([C@H]1CC[N@@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179580092 134322273 /nfs/dbraw/zinc/32/22/73/134322273.db2.gz QKCHZJWJRJDTHH-GFCCVEGCSA-N 2 2 224.348 1.193 10 0 BDAELP C([C@H]1CC[N@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179580092 134322274 /nfs/dbraw/zinc/32/22/74/134322274.db2.gz QKCHZJWJRJDTHH-GFCCVEGCSA-N 2 2 224.348 1.193 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000222228633 134330861 /nfs/dbraw/zinc/33/08/61/134330861.db2.gz DXWBJGJNMXZQAV-CMPLNLGQSA-N 2 2 234.347 1.357 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000222228633 134330862 /nfs/dbraw/zinc/33/08/62/134330862.db2.gz DXWBJGJNMXZQAV-CMPLNLGQSA-N 2 2 234.347 1.357 10 0 BDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1sccc1Cl ZINC000261539237 135178175 /nfs/dbraw/zinc/17/81/75/135178175.db2.gz BWXDUPABKDANRM-IONNQARKSA-N 2 2 246.763 1.071 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261546227 135238151 /nfs/dbraw/zinc/23/81/51/135238151.db2.gz GRJAONUVJPJRNO-NEPJUHHUSA-N 2 2 235.306 1.262 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261546227 135238153 /nfs/dbraw/zinc/23/81/53/135238153.db2.gz GRJAONUVJPJRNO-NEPJUHHUSA-N 2 2 235.306 1.262 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000262948749 135325150 /nfs/dbraw/zinc/32/51/50/135325150.db2.gz JIRFDMZEZFKWNY-WDEREUQCSA-N 2 2 240.372 1.595 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000262948749 135325151 /nfs/dbraw/zinc/32/51/51/135325151.db2.gz JIRFDMZEZFKWNY-WDEREUQCSA-N 2 2 240.372 1.595 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000335335862 136055822 /nfs/dbraw/zinc/05/58/22/136055822.db2.gz VARAGGMYZBVUPP-LBPRGKRZSA-N 2 2 230.315 1.486 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000335335862 136055823 /nfs/dbraw/zinc/05/58/23/136055823.db2.gz VARAGGMYZBVUPP-LBPRGKRZSA-N 2 2 230.315 1.486 10 0 BDAELP CC(C)OCCC[NH2+]CC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000053432619 167220698 /nfs/dbraw/zinc/22/06/98/167220698.db2.gz QNCDHPHGIOSXFJ-UONOGXRCSA-N 2 2 240.391 1.875 10 0 BDAELP CC(C)OCCC[NH2+]CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000053432619 167220701 /nfs/dbraw/zinc/22/07/01/167220701.db2.gz QNCDHPHGIOSXFJ-UONOGXRCSA-N 2 2 240.391 1.875 10 0 BDAELP COc1ccc[nH+]c1N[C@H](CC[NH3+])C(F)F ZINC000383465400 487588815 /nfs/dbraw/zinc/58/88/15/487588815.db2.gz KRJLPJIHHLTLHB-SSDOTTSWSA-N 2 2 231.246 1.485 10 0 BDAELP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000662264350 409561963 /nfs/dbraw/zinc/56/19/63/409561963.db2.gz JELOKKDCRRKWCN-VXGBXAGGSA-N 2 2 212.337 1.143 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000309302480 410793355 /nfs/dbraw/zinc/79/33/55/410793355.db2.gz YVPQKEYJAHRNHJ-NWDGAFQWSA-N 2 2 246.420 1.125 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)C1 ZINC000309302480 410793365 /nfs/dbraw/zinc/79/33/65/410793365.db2.gz YVPQKEYJAHRNHJ-NWDGAFQWSA-N 2 2 246.420 1.125 10 0 BDAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@@H](C)C1 ZINC000309302480 410793372 /nfs/dbraw/zinc/79/33/72/410793372.db2.gz YVPQKEYJAHRNHJ-NWDGAFQWSA-N 2 2 246.420 1.125 10 0 BDAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@@H](C)C1 ZINC000309302480 410793378 /nfs/dbraw/zinc/79/33/78/410793378.db2.gz YVPQKEYJAHRNHJ-NWDGAFQWSA-N 2 2 246.420 1.125 10 0 BDAELP CC(C)C[NH2+]C[C@@H]1CC[C@@H](Cn2cc[nH+]c2)O1 ZINC000052575511 167006562 /nfs/dbraw/zinc/00/65/62/167006562.db2.gz CIJZUAFYHCEXOE-STQMWFEESA-N 2 2 237.347 1.676 10 0 BDAELP CC(C)[N@@H+]1CCc2nc(C[NH3+])sc2C1 ZINC000019817790 167026971 /nfs/dbraw/zinc/02/69/71/167026971.db2.gz QDFVVNVOTUQEJK-UHFFFAOYSA-N 2 2 211.334 1.368 10 0 BDAELP CC(C)[N@H+]1CCc2nc(C[NH3+])sc2C1 ZINC000019817790 167026974 /nfs/dbraw/zinc/02/69/74/167026974.db2.gz QDFVVNVOTUQEJK-UHFFFAOYSA-N 2 2 211.334 1.368 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931201 167027345 /nfs/dbraw/zinc/02/73/45/167027345.db2.gz FJRXQUXPICMBKK-LPWJVIDDSA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931201 167027346 /nfs/dbraw/zinc/02/73/46/167027346.db2.gz FJRXQUXPICMBKK-LPWJVIDDSA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCc1ccncc1 ZINC000049205052 167394712 /nfs/dbraw/zinc/39/47/12/167394712.db2.gz UHIPBJLQWSTXGQ-CQSZACIVSA-N 2 2 235.375 1.800 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461421 167396940 /nfs/dbraw/zinc/39/69/40/167396940.db2.gz AXRNFOKXAXAVLK-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461421 167396943 /nfs/dbraw/zinc/39/69/43/167396943.db2.gz AXRNFOKXAXAVLK-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP CO[C@@H]1C[NH2+][C@](C)(C[NH2+]Cc2ccccc2)C1 ZINC000536958766 411265787 /nfs/dbraw/zinc/26/57/87/411265787.db2.gz IAGHOEJFPKEIBJ-KBPBESRZSA-N 2 2 234.343 1.543 10 0 BDAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C(C)(C)C ZINC000304263096 411356360 /nfs/dbraw/zinc/35/63/60/411356360.db2.gz UGYZWKQMASWHIL-QWRGUYRKSA-N 2 2 225.336 1.268 10 0 BDAELP CC[C@@H]1CN(c2cc(C)[nH+]cn2)CC[C@@H]1[NH3+] ZINC000122951094 411436360 /nfs/dbraw/zinc/43/63/60/411436360.db2.gz RKTUSLJEHNPDHE-MNOVXSKESA-N 2 2 220.320 1.349 10 0 BDAELP C[C@H]([NH3+])CC[NH2+]Cc1ncc(Cl)s1 ZINC000414823014 411448401 /nfs/dbraw/zinc/44/84/01/411448401.db2.gz OBLSCONBSQLTNK-LURJTMIESA-N 2 2 219.741 1.623 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000127496586 411492663 /nfs/dbraw/zinc/49/26/63/411492663.db2.gz MRSCMVSLXGKLCE-WDEREUQCSA-N 2 2 235.331 1.654 10 0 BDAELP C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657422330 411502753 /nfs/dbraw/zinc/50/27/53/411502753.db2.gz WDLONJOKVIJASD-GXSJLCMTSA-N 2 2 221.304 1.096 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCOCC2)C1 ZINC000309031348 170031260 /nfs/dbraw/zinc/03/12/60/170031260.db2.gz DYPXRPRAHOHIJZ-ZYHUDNBSSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCOCC2)C1 ZINC000309031348 170031261 /nfs/dbraw/zinc/03/12/61/170031261.db2.gz DYPXRPRAHOHIJZ-ZYHUDNBSSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(SC)CC2)C1 ZINC000336760136 170032089 /nfs/dbraw/zinc/03/20/89/170032089.db2.gz LMWXYLYVYIWLNU-GHMZBOCLSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(SC)CC2)C1 ZINC000336760136 170032091 /nfs/dbraw/zinc/03/20/91/170032091.db2.gz LMWXYLYVYIWLNU-GHMZBOCLSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@H](COC)C2CC2)[C@@H](C)C1 ZINC000309835932 170037382 /nfs/dbraw/zinc/03/73/82/170037382.db2.gz BBRVPIPVZRUAOV-WCFLWFBJSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@H](COC)C2CC2)[C@@H](C)C1 ZINC000309835932 170037385 /nfs/dbraw/zinc/03/73/85/170037385.db2.gz BBRVPIPVZRUAOV-WCFLWFBJSA-N 2 2 226.364 1.341 10 0 BDAELP CCNC(=O)[C@@H](C)[N@H+](CC[NH3+])C1CCCCC1 ZINC000104312972 170086409 /nfs/dbraw/zinc/08/64/09/170086409.db2.gz RTHQSUFTPNKDHN-LLVKDONJSA-N 2 2 241.379 1.104 10 0 BDAELP CCNC(=O)[C@@H](C)[N@@H+](CC[NH3+])C1CCCCC1 ZINC000104312972 170086410 /nfs/dbraw/zinc/08/64/10/170086410.db2.gz RTHQSUFTPNKDHN-LLVKDONJSA-N 2 2 241.379 1.104 10 0 BDAELP CC[NH2+]C(C)(C)CN1CCn2cc[nH+]c2C1 ZINC000062321374 170107853 /nfs/dbraw/zinc/10/78/53/170107853.db2.gz RKEXQFRAWPVWCG-UHFFFAOYSA-N 2 2 222.336 1.087 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000053031032 170119961 /nfs/dbraw/zinc/11/99/61/170119961.db2.gz PHLABUXXOSTNRY-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000053031032 170119962 /nfs/dbraw/zinc/11/99/62/170119962.db2.gz PHLABUXXOSTNRY-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]C[C@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000053650953 170123075 /nfs/dbraw/zinc/12/30/75/170123075.db2.gz LYUXVFMFZBGQQE-CYBMUJFWSA-N 2 2 236.363 1.347 10 0 BDAELP CC[NH2+]C[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000053650953 170123076 /nfs/dbraw/zinc/12/30/76/170123076.db2.gz LYUXVFMFZBGQQE-CYBMUJFWSA-N 2 2 236.363 1.347 10 0 BDAELP CC[N@@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616592797 411858475 /nfs/dbraw/zinc/85/84/75/411858475.db2.gz GHHYEXODBURBIU-NSHDSACASA-N 2 2 221.304 1.447 10 0 BDAELP CC[N@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616592797 411858478 /nfs/dbraw/zinc/85/84/78/411858478.db2.gz GHHYEXODBURBIU-NSHDSACASA-N 2 2 221.304 1.447 10 0 BDAELP Nc1[nH+]ccn1-c1cc[nH+]cc1Br ZINC000575470164 411971093 /nfs/dbraw/zinc/97/10/93/411971093.db2.gz PHRHDBRAQUOXHC-UHFFFAOYSA-N 2 2 239.076 1.612 10 0 BDAELP Nc1ccc([C@H]2CCCCC[N@@H+]2CC[NH3+])cn1 ZINC000616623389 411976863 /nfs/dbraw/zinc/97/68/63/411976863.db2.gz FDHQLMHOSCOANK-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1ccc([C@H]2CCCCC[N@H+]2CC[NH3+])cn1 ZINC000616623389 411976866 /nfs/dbraw/zinc/97/68/66/411976866.db2.gz FDHQLMHOSCOANK-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C ZINC000036326192 171106458 /nfs/dbraw/zinc/10/64/58/171106458.db2.gz VWVKYTVPTSAAQV-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1COCC[N@H+]1C[C@H]([NH3+])C(C)(C)C ZINC000036326192 171106460 /nfs/dbraw/zinc/10/64/60/171106460.db2.gz VWVKYTVPTSAAQV-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@]1(C[N@@H+]2CCCN(C)CC2)CCC[NH2+]C1 ZINC000062861836 171211186 /nfs/dbraw/zinc/21/11/86/171211186.db2.gz RGKMNDUHEFTQNO-CQSZACIVSA-N 2 2 239.407 1.404 10 0 BDAELP CC[C@@]1(C[N@H+]2CCCN(C)CC2)CCC[NH2+]C1 ZINC000062861836 171211187 /nfs/dbraw/zinc/21/11/87/171211187.db2.gz RGKMNDUHEFTQNO-CQSZACIVSA-N 2 2 239.407 1.404 10 0 BDAELP CCn1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])c(C)n1 ZINC000020315830 172164015 /nfs/dbraw/zinc/16/40/15/172164015.db2.gz LNCVDERXRFTSGU-GFCCVEGCSA-N 2 2 222.336 1.135 10 0 BDAELP CCn1cc(C[N@H+]2CCC[C@@H]2C[NH3+])c(C)n1 ZINC000020315830 172164017 /nfs/dbraw/zinc/16/40/17/172164017.db2.gz LNCVDERXRFTSGU-GFCCVEGCSA-N 2 2 222.336 1.135 10 0 BDAELP CCn1cc[nH+]c1N[C@H](C)C[NH+]1CCOCC1 ZINC000050614220 172228183 /nfs/dbraw/zinc/22/81/83/172228183.db2.gz CJMZCPYSSOKOCW-LLVKDONJSA-N 2 2 238.335 1.036 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1CNc1[nH+]cccc1N ZINC000044563693 173004807 /nfs/dbraw/zinc/00/48/07/173004807.db2.gz VAJPDIIXXSHKQN-SNVBAGLBSA-N 2 2 220.320 1.560 10 0 BDAELP C[N@H+]1CCCC[C@@H]1CNc1[nH+]cccc1N ZINC000044563693 173004812 /nfs/dbraw/zinc/00/48/12/173004812.db2.gz VAJPDIIXXSHKQN-SNVBAGLBSA-N 2 2 220.320 1.560 10 0 BDAELP C[N@@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069796447 173100036 /nfs/dbraw/zinc/10/00/36/173100036.db2.gz HFCLSNXNNDZCMZ-RYUDHWBXSA-N 2 2 206.289 1.017 10 0 BDAELP C[N@H+]1CCO[C@@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069796447 173100038 /nfs/dbraw/zinc/10/00/38/173100038.db2.gz HFCLSNXNNDZCMZ-RYUDHWBXSA-N 2 2 206.289 1.017 10 0 BDAELP C[N@@H+]1CC[C@@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000037648103 173112149 /nfs/dbraw/zinc/11/21/49/173112149.db2.gz WCDPHBMOHBAIIR-LLVKDONJSA-N 2 2 231.343 1.536 10 0 BDAELP C[N@H+]1CC[C@@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000037648103 173112152 /nfs/dbraw/zinc/11/21/52/173112152.db2.gz WCDPHBMOHBAIIR-LLVKDONJSA-N 2 2 231.343 1.536 10 0 BDAELP C[NH+]1CC[C@@H](C[N@@H+]2Cc3cccc(N)c3C2)C1 ZINC000037648103 173112155 /nfs/dbraw/zinc/11/21/55/173112155.db2.gz WCDPHBMOHBAIIR-LLVKDONJSA-N 2 2 231.343 1.536 10 0 BDAELP C[NH+]1CC[C@@H](C[N@H+]2Cc3cccc(N)c3C2)C1 ZINC000037648103 173112158 /nfs/dbraw/zinc/11/21/58/173112158.db2.gz WCDPHBMOHBAIIR-LLVKDONJSA-N 2 2 231.343 1.536 10 0 BDAELP C[N@@H+]1CCc2sc(CCC[NH3+])nc2C1 ZINC000075845712 173176207 /nfs/dbraw/zinc/17/62/07/173176207.db2.gz APNFWLNKJHWUDB-UHFFFAOYSA-N 2 2 211.334 1.022 10 0 BDAELP C[N@H+]1CCc2sc(CCC[NH3+])nc2C1 ZINC000075845712 173176208 /nfs/dbraw/zinc/17/62/08/173176208.db2.gz APNFWLNKJHWUDB-UHFFFAOYSA-N 2 2 211.334 1.022 10 0 BDAELP C[NH2+]C(C)(C)C[NH+]1CCC(OC)CC1 ZINC000061319572 173319192 /nfs/dbraw/zinc/31/91/92/173319192.db2.gz LYTBKYVUVODJQW-UHFFFAOYSA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1cc(C)n(C)c1C ZINC000077336254 173352718 /nfs/dbraw/zinc/35/27/18/173352718.db2.gz QJEWMBAQEWVZLU-UHFFFAOYSA-N 2 2 223.364 1.336 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1cc(C)n(C)c1C ZINC000077336254 173352720 /nfs/dbraw/zinc/35/27/20/173352720.db2.gz QJEWMBAQEWVZLU-UHFFFAOYSA-N 2 2 223.364 1.336 10 0 BDAELP C[NH2+]CC[C@H](C)[N@@H+]1CCOCC1(C)C ZINC000052546100 173358407 /nfs/dbraw/zinc/35/84/07/173358407.db2.gz LTCBLTVFMNBEQW-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]CC[C@H](C)[N@H+]1CCOCC1(C)C ZINC000052546100 173358408 /nfs/dbraw/zinc/35/84/08/173358408.db2.gz LTCBLTVFMNBEQW-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]CCn1c[nH+]cc1-c1ccccc1 ZINC000082655861 173362189 /nfs/dbraw/zinc/36/21/89/173362189.db2.gz BHBCWKSYODVRKZ-UHFFFAOYSA-N 2 2 201.273 1.770 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000049333946 173378852 /nfs/dbraw/zinc/37/88/52/173378852.db2.gz ABDOFVIUJQWJHW-CQSZACIVSA-N 3 2 239.407 1.404 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000049333946 173378854 /nfs/dbraw/zinc/37/88/54/173378854.db2.gz ABDOFVIUJQWJHW-CQSZACIVSA-N 3 2 239.407 1.404 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000049331254 173379124 /nfs/dbraw/zinc/37/91/24/173379124.db2.gz NCOMARBTTCFPTQ-CYBMUJFWSA-N 3 2 236.363 1.123 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000049331254 173379125 /nfs/dbraw/zinc/37/91/25/173379125.db2.gz NCOMARBTTCFPTQ-CYBMUJFWSA-N 3 2 236.363 1.123 10 0 BDAELP C[NH2+]Cc1cc(-n2c[nH+]c(C)c2C)ccn1 ZINC000051928506 173385983 /nfs/dbraw/zinc/38/59/83/173385983.db2.gz JSZDEIIHYYMTRY-UHFFFAOYSA-N 2 2 216.288 1.604 10 0 BDAELP C[NH2+]Cc1cc(C[N@@H+]2CCCO[C@@H](C)C2)on1 ZINC000061935416 173386658 /nfs/dbraw/zinc/38/66/58/173386658.db2.gz FRSDNNFEQGHZSH-JTQLQIEISA-N 2 2 239.319 1.005 10 0 BDAELP C[NH2+]Cc1cc(C[N@H+]2CCCO[C@@H](C)C2)on1 ZINC000061935416 173386659 /nfs/dbraw/zinc/38/66/59/173386659.db2.gz FRSDNNFEQGHZSH-JTQLQIEISA-N 2 2 239.319 1.005 10 0 BDAELP C[NH2+]Cc1coc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000052475972 173393620 /nfs/dbraw/zinc/39/36/20/173393620.db2.gz VETJOOOHAPHGHG-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1coc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000052475972 173393621 /nfs/dbraw/zinc/39/36/21/173393621.db2.gz VETJOOOHAPHGHG-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1nc(Cn2cc[nH+]c2)cs1 ZINC000052575575 173395927 /nfs/dbraw/zinc/39/59/27/173395927.db2.gz OXTFWGUYMHURQC-UHFFFAOYSA-N 2 2 208.290 1.107 10 0 BDAELP COCCC[NH2+]C[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061936440 174247163 /nfs/dbraw/zinc/24/71/63/174247163.db2.gz DLYQPSXGZPKMLO-QWHCGFSZSA-N 2 2 244.379 1.112 10 0 BDAELP COCCC[NH2+]C[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061936440 174247164 /nfs/dbraw/zinc/24/71/64/174247164.db2.gz DLYQPSXGZPKMLO-QWHCGFSZSA-N 2 2 244.379 1.112 10 0 BDAELP COCCC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000041227748 174247196 /nfs/dbraw/zinc/24/71/96/174247196.db2.gz UVJZGTKGBAFRGD-UHFFFAOYSA-N 2 2 214.353 1.344 10 0 BDAELP COCC[N@H+](C)[C@@H](C[NH3+])c1ccccc1 ZINC000041217881 174282612 /nfs/dbraw/zinc/28/26/12/174282612.db2.gz POGALNJFLLRSJB-LBPRGKRZSA-N 2 2 208.305 1.265 10 0 BDAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1ccccc1 ZINC000041217881 174282614 /nfs/dbraw/zinc/28/26/14/174282614.db2.gz POGALNJFLLRSJB-LBPRGKRZSA-N 2 2 208.305 1.265 10 0 BDAELP COCC[N@H+](C)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042458966 174283921 /nfs/dbraw/zinc/28/39/21/174283921.db2.gz KJNXCCUNWSAUTK-STQMWFEESA-N 2 2 220.316 1.189 10 0 BDAELP COCC[N@@H+](C)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042458966 174283923 /nfs/dbraw/zinc/28/39/23/174283923.db2.gz KJNXCCUNWSAUTK-STQMWFEESA-N 2 2 220.316 1.189 10 0 BDAELP COCC[N@H+](C[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000042519635 174297263 /nfs/dbraw/zinc/29/72/63/174297263.db2.gz IWTODOHSHDSANR-AWEZNQCLSA-N 2 2 248.370 1.667 10 0 BDAELP COCC[N@@H+](C[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000042519635 174297264 /nfs/dbraw/zinc/29/72/64/174297264.db2.gz IWTODOHSHDSANR-AWEZNQCLSA-N 2 2 248.370 1.667 10 0 BDAELP COCC[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000045035344 174385774 /nfs/dbraw/zinc/38/57/74/174385774.db2.gz HDVBGSWPZDCKKK-CHWSQXEVSA-N 2 2 230.396 1.977 10 0 BDAELP COc1ccc(F)c([C@@H]([NH3+])C[NH3+])c1Cl ZINC000044473181 175126562 /nfs/dbraw/zinc/12/65/62/175126562.db2.gz FYWWLTOIAYPNKA-LURJTMIESA-N 2 2 218.659 1.446 10 0 BDAELP COc1ccc([C@@H]([NH3+])CC[NH+](C)C)c(OC)c1 ZINC000020274061 175179351 /nfs/dbraw/zinc/17/93/51/175179351.db2.gz YHNDUYBQUDJAGY-LBPRGKRZSA-N 2 2 238.331 1.655 10 0 BDAELP COc1ccc([C@H]([NH3+])CC[NH+](C)C)c(OC)c1 ZINC000020274062 175191780 /nfs/dbraw/zinc/19/17/80/175191780.db2.gz YHNDUYBQUDJAGY-GFCCVEGCSA-N 2 2 238.331 1.655 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052378873 176074491 /nfs/dbraw/zinc/07/44/91/176074491.db2.gz WMDGWLFGAKXABK-SECBINFHSA-N 2 2 225.361 1.976 10 0 BDAELP C[C@@H]1CCCC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052378873 176074493 /nfs/dbraw/zinc/07/44/93/176074493.db2.gz WMDGWLFGAKXABK-SECBINFHSA-N 2 2 225.361 1.976 10 0 BDAELP C[C@@H]1CC[N@H+](CCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235278472 176168818 /nfs/dbraw/zinc/16/88/18/176168818.db2.gz RPTIFGVAPJKDJJ-RKDXNWHRSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@@H]1CC[N@@H+](CCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235278472 176168820 /nfs/dbraw/zinc/16/88/20/176168820.db2.gz RPTIFGVAPJKDJJ-RKDXNWHRSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000042278873 176180398 /nfs/dbraw/zinc/18/03/98/176180398.db2.gz XHCKCPMESZZPMT-PWSUYJOCSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000042278873 176180401 /nfs/dbraw/zinc/18/04/01/176180401.db2.gz XHCKCPMESZZPMT-PWSUYJOCSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]([NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045685346 176299137 /nfs/dbraw/zinc/29/91/37/176299137.db2.gz VAQJEEHDPTYJTF-MNOVXSKESA-N 2 2 228.380 1.859 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]([NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045685346 176299139 /nfs/dbraw/zinc/29/91/39/176299139.db2.gz VAQJEEHDPTYJTF-MNOVXSKESA-N 2 2 228.380 1.859 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664372 176315190 /nfs/dbraw/zinc/31/51/90/176315190.db2.gz VXMHWHSBFAQJCS-KOLCDFICSA-N 2 2 212.337 1.223 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664372 176315191 /nfs/dbraw/zinc/31/51/91/176315191.db2.gz VXMHWHSBFAQJCS-KOLCDFICSA-N 2 2 212.337 1.223 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccncc2)C1 ZINC000049662151 176325215 /nfs/dbraw/zinc/32/52/15/176325215.db2.gz YIZDWPXSVZVFOR-LLVKDONJSA-N 2 2 205.305 1.123 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccncc2)C1 ZINC000049662151 176325217 /nfs/dbraw/zinc/32/52/17/176325217.db2.gz YIZDWPXSVZVFOR-LLVKDONJSA-N 2 2 205.305 1.123 10 0 BDAELP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309134067 176397760 /nfs/dbraw/zinc/39/77/60/176397760.db2.gz RQYUVELDEMKLJB-BBBLOLIVSA-N 2 2 205.305 1.513 10 0 BDAELP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309134067 176397762 /nfs/dbraw/zinc/39/77/62/176397762.db2.gz RQYUVELDEMKLJB-BBBLOLIVSA-N 2 2 205.305 1.513 10 0 BDAELP C[C@H]([NH3+])Cc1ccc(OCCn2cc[nH+]c2)cc1 ZINC000037723728 176761730 /nfs/dbraw/zinc/76/17/30/176761730.db2.gz JPYMEPSYAGWYLT-LBPRGKRZSA-N 2 2 245.326 1.852 10 0 BDAELP C[C@H]1CC[N@H+](C[C@@H]2CC[NH+](C)C2)CCC[NH2+]1 ZINC000049666477 177162683 /nfs/dbraw/zinc/16/26/83/177162683.db2.gz GVICWVDNKZFEIQ-QWHCGFSZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](C)C2)CCC[NH2+]1 ZINC000049666477 177162685 /nfs/dbraw/zinc/16/26/85/177162685.db2.gz GVICWVDNKZFEIQ-QWHCGFSZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@H]1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000049666477 177162687 /nfs/dbraw/zinc/16/26/87/177162687.db2.gz GVICWVDNKZFEIQ-QWHCGFSZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000049666477 177162688 /nfs/dbraw/zinc/16/26/88/177162688.db2.gz GVICWVDNKZFEIQ-QWHCGFSZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000235672953 177165655 /nfs/dbraw/zinc/16/56/55/177165655.db2.gz YDZSYFWUFORZKW-WCQYABFASA-N 2 2 234.343 1.951 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000235672953 177165656 /nfs/dbraw/zinc/16/56/56/177165656.db2.gz YDZSYFWUFORZKW-WCQYABFASA-N 2 2 234.343 1.951 10 0 BDAELP C[C@H]1C[N@H+](CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000037115976 177254793 /nfs/dbraw/zinc/25/47/93/177254793.db2.gz RDOSZVGGOZMYMY-JSGCOSHPSA-N 2 2 234.343 1.797 10 0 BDAELP C[C@H]1C[N@@H+](CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000037115976 177254795 /nfs/dbraw/zinc/25/47/95/177254795.db2.gz RDOSZVGGOZMYMY-JSGCOSHPSA-N 2 2 234.343 1.797 10 0 BDAELP C[C@H]1C[NH+](Cc2cc(C[NH3+])co2)C[C@H](C)O1 ZINC000052380627 177260196 /nfs/dbraw/zinc/26/01/96/177260196.db2.gz IJYKEBMIVNADBH-UWVGGRQHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[N@@H+]([C@H](C[NH3+])CC(C)(C)C)CCO1 ZINC000061839652 177275847 /nfs/dbraw/zinc/27/58/47/177275847.db2.gz GJXJEWBGQQRXMM-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP C[C@H]1C[N@H+]([C@H](C[NH3+])CC(C)(C)C)CCO1 ZINC000061839652 177275848 /nfs/dbraw/zinc/27/58/48/177275848.db2.gz GJXJEWBGQQRXMM-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](Cc2cccnc2)C1 ZINC000049662134 177282523 /nfs/dbraw/zinc/28/25/23/177282523.db2.gz ALRCTSWTWKFFEL-NSHDSACASA-N 2 2 205.305 1.123 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccnc2)C1 ZINC000049662134 177282524 /nfs/dbraw/zinc/28/25/24/177282524.db2.gz ALRCTSWTWKFFEL-NSHDSACASA-N 2 2 205.305 1.123 10 0 BDAELP C[C@H]1COCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000035776434 177292738 /nfs/dbraw/zinc/29/27/38/177292738.db2.gz AKZZTTNBWQRZDH-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1COCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000035776434 177292740 /nfs/dbraw/zinc/29/27/40/177292740.db2.gz AKZZTTNBWQRZDH-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000314898620 487670223 /nfs/dbraw/zinc/67/02/23/487670223.db2.gz NCYHVXMNLDCDRG-YUTCNCBUSA-N 3 2 248.374 1.022 10 0 BDAELP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000314898620 487670228 /nfs/dbraw/zinc/67/02/28/487670228.db2.gz NCYHVXMNLDCDRG-YUTCNCBUSA-N 3 2 248.374 1.022 10 0 BDAELP CC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000389393776 488093402 /nfs/dbraw/zinc/09/34/02/488093402.db2.gz JNJGTCFKQMQXNK-NSHDSACASA-N 2 2 220.320 1.600 10 0 BDAELP CC[N@H+]1CC[C@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000389393776 488093406 /nfs/dbraw/zinc/09/34/06/488093406.db2.gz JNJGTCFKQMQXNK-NSHDSACASA-N 2 2 220.320 1.600 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667796676 488123591 /nfs/dbraw/zinc/12/35/91/488123591.db2.gz RNUBRSXBLOMKBY-MELADBBJSA-N 2 2 238.375 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667796676 488123594 /nfs/dbraw/zinc/12/35/94/488123594.db2.gz RNUBRSXBLOMKBY-MELADBBJSA-N 2 2 238.375 1.628 10 0 BDAELP CC[N@@H+]1CCO[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000125031699 490411795 /nfs/dbraw/zinc/41/17/95/490411795.db2.gz IMHGOMDFTBUYJZ-GFCCVEGCSA-N 2 2 235.331 1.523 10 0 BDAELP CC[N@H+]1CCO[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000125031699 490411802 /nfs/dbraw/zinc/41/18/02/490411802.db2.gz IMHGOMDFTBUYJZ-GFCCVEGCSA-N 2 2 235.331 1.523 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000222656105 490655256 /nfs/dbraw/zinc/65/52/56/490655256.db2.gz JOEITBPPUXFPNL-NRWUCQMLSA-N 2 2 238.375 1.505 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000222656105 490655259 /nfs/dbraw/zinc/65/52/59/490655259.db2.gz JOEITBPPUXFPNL-NRWUCQMLSA-N 2 2 238.375 1.505 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757134068 582510538 /nfs/dbraw/zinc/51/05/38/582510538.db2.gz WAMSSILPBQNZQR-SRVKXCTJSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757134068 582510541 /nfs/dbraw/zinc/51/05/41/582510541.db2.gz WAMSSILPBQNZQR-SRVKXCTJSA-N 2 2 214.328 1.951 10 0 BDAELP [NH3+]C[C@H]1CC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000757140935 582521362 /nfs/dbraw/zinc/52/13/62/582521362.db2.gz CYAWAEFMOATATM-VHSXEESVSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@H]1CC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000757140935 582521364 /nfs/dbraw/zinc/52/13/64/582521364.db2.gz CYAWAEFMOATATM-VHSXEESVSA-N 2 2 218.291 1.845 10 0 BDAELP CC(C)[C@@H]1[NH2+][C@]2(CC[NH2+]C2)OCC1(C)C ZINC000757143688 582523950 /nfs/dbraw/zinc/52/39/50/582523950.db2.gz DZEGVSNGRNJFEN-CMPLNLGQSA-N 2 2 212.337 1.347 10 0 BDAELP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400347427 533833637 /nfs/dbraw/zinc/83/36/37/533833637.db2.gz LAAGATNRUQTRIT-QWHCGFSZSA-N 3 2 239.407 1.448 10 0 BDAELP CCn1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261561444 536056160 /nfs/dbraw/zinc/05/61/60/536056160.db2.gz VLWZYUDISGJWDL-LBPRGKRZSA-N 2 2 236.363 1.462 10 0 BDAELP CCn1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261561444 536056169 /nfs/dbraw/zinc/05/61/69/536056169.db2.gz VLWZYUDISGJWDL-LBPRGKRZSA-N 2 2 236.363 1.462 10 0 BDAELP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)OCc1ccccc1 ZINC000002522680 527335065 /nfs/dbraw/zinc/33/50/65/527335065.db2.gz AXIQMEOYYYWDKF-LBPRGKRZSA-N 2 2 245.282 1.023 10 0 BDAELP C[NH2+][C@H](C)C[NH2+]Cc1sc(C)nc1C ZINC000261530227 536402084 /nfs/dbraw/zinc/40/20/84/536402084.db2.gz YIEZEGUKMAGAKY-SSDOTTSWSA-N 2 2 213.350 1.457 10 0 BDAELP CC(C)(C)[C@@H]1C[NH2+][C@]2(CCC[NH2+]C2)OC1 ZINC000757143766 582524198 /nfs/dbraw/zinc/52/41/98/582524198.db2.gz FFJZRDSTNKTANX-ZYHUDNBSSA-N 2 2 212.337 1.348 10 0 BDAELP CC1(C)CCC[C@H](C[N@@H+]2CC[C@@H]2C[NH3+])O1 ZINC000757145505 582528064 /nfs/dbraw/zinc/52/80/64/582528064.db2.gz MUUHQTRUBOSGAX-GHMZBOCLSA-N 2 2 212.337 1.367 10 0 BDAELP CC1(C)CCC[C@H](C[N@H+]2CC[C@@H]2C[NH3+])O1 ZINC000757145505 582528065 /nfs/dbraw/zinc/52/80/65/582528065.db2.gz MUUHQTRUBOSGAX-GHMZBOCLSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757218647 582562622 /nfs/dbraw/zinc/56/26/22/582562622.db2.gz VOZGDPVFICZDQJ-XLDPMVHQSA-N 2 2 224.329 1.558 10 0 BDAELP CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1[nH]cc[nH+]1 ZINC000757185839 586434176 /nfs/dbraw/zinc/43/41/76/586434176.db2.gz AXYWUFIVKNNREK-RKDXNWHRSA-N 2 2 237.303 1.054 10 0 BDAELP [NH3+]C[C@@H]1CC[C@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211647 586437119 /nfs/dbraw/zinc/43/71/19/586437119.db2.gz HZLOBHZNLCJRHN-IUCAKERBSA-N 2 2 224.329 1.355 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]CCC[C@H]2[NH3+])cc1 ZINC000757211006 586437405 /nfs/dbraw/zinc/43/74/05/586437405.db2.gz FFSUSPLQSQMTOG-OLZOCXBDSA-N 2 2 218.300 1.641 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2ccc(C=O)s2)[C@H]1[NH3+] ZINC000757207244 586437671 /nfs/dbraw/zinc/43/76/71/586437671.db2.gz BHDRYEKVERJLIK-PPKCKEKNSA-N 2 2 224.329 1.558 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]CC[C@H](C)[C@@H]2[NH3+])cc1 ZINC000757215899 586440766 /nfs/dbraw/zinc/44/07/66/586440766.db2.gz NZWDGFVQESJCOR-HERUPUMHSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cccc(C[NH3+])c2)[C@@H]1[NH3+] ZINC000757220253 586442435 /nfs/dbraw/zinc/44/24/35/586442435.db2.gz XPNMWCXEYJNJLV-OASPWFOLSA-N 3 2 219.332 1.143 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1cnn(C(C)(C)C)c1 ZINC000757229318 586442669 /nfs/dbraw/zinc/44/26/69/586442669.db2.gz DPEMLNDRVLDJIO-USWWRNFRSA-N 2 2 236.363 1.636 10 0 BDAELP CC(C)(C)n1cc([C@@H]2CC[C@@H]([NH3+])C[NH2+]2)cn1 ZINC000757231110 586443288 /nfs/dbraw/zinc/44/32/88/586443288.db2.gz GKBLHDPJTVFYOQ-MNOVXSKESA-N 2 2 222.336 1.390 10 0 BDAELP C(C[NH2+]C1CC1)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043427162 638317704 /nfs/dbraw/zinc/31/77/04/638317704.db2.gz HQPUSMQUEZYYLJ-KBPBESRZSA-N 2 2 238.375 1.772 10 0 BDAELP C(C[NH2+]C1CC1)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000043427162 638317710 /nfs/dbraw/zinc/31/77/10/638317710.db2.gz HQPUSMQUEZYYLJ-KBPBESRZSA-N 2 2 238.375 1.772 10 0 BDAELP Cc1cccc(C)c1C[N@@H+]1CC[C@H]1C[NH3+] ZINC000757144229 643315369 /nfs/dbraw/zinc/31/53/69/643315369.db2.gz IHOWOUOJIMFVIG-LBPRGKRZSA-N 2 2 204.317 1.836 10 0 BDAELP Cc1cccc(C)c1C[N@H+]1CC[C@H]1C[NH3+] ZINC000757144229 643315373 /nfs/dbraw/zinc/31/53/73/643315373.db2.gz IHOWOUOJIMFVIG-LBPRGKRZSA-N 2 2 204.317 1.836 10 0 BDAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000757149100 643333774 /nfs/dbraw/zinc/33/37/74/643333774.db2.gz XKFTXZGWUPZNFT-UWVGGRQHSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000757149100 643333781 /nfs/dbraw/zinc/33/37/81/643333781.db2.gz XKFTXZGWUPZNFT-UWVGGRQHSA-N 2 2 218.291 1.845 10 0 BDAELP C([C@@H]1CCCO1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257656255 711723152 /nfs/dbraw/zinc/72/31/52/711723152.db2.gz FKBMSEIBDIIWCL-STQMWFEESA-N 2 2 224.348 1.383 10 0 BDAELP C([C@@H]1CCCO1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257656255 711723154 /nfs/dbraw/zinc/72/31/54/711723154.db2.gz FKBMSEIBDIIWCL-STQMWFEESA-N 2 2 224.348 1.383 10 0 BDAELP FC1(F)CC[NH2+]C[C@H]1CNc1cccc[nH+]1 ZINC000717008060 712604003 /nfs/dbraw/zinc/60/40/03/712604003.db2.gz AVYITBKRCXKOOU-VIFPVBQESA-N 2 2 227.258 1.738 10 0 BDAELP Cc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC000257653121 349470320 /nfs/dbraw/zinc/47/03/20/349470320.db2.gz ALNMFJYEWNEKAQ-CYBMUJFWSA-N 2 2 232.331 1.365 10 0 BDAELP Cc1cccc(Cc2[nH]c(C[NH3+])c[nH+]2)c1 ZINC000062820775 187323525 /nfs/dbraw/zinc/32/35/25/187323525.db2.gz FNRFQARKCQYTNU-UHFFFAOYSA-N 2 2 201.273 1.768 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccccc1CO ZINC000616615339 398174457 /nfs/dbraw/zinc/17/44/57/398174457.db2.gz VUZNRMKNQICFNC-CQSZACIVSA-N 2 2 234.343 1.665 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccccc1CO ZINC000616615339 398174463 /nfs/dbraw/zinc/17/44/63/398174463.db2.gz VUZNRMKNQICFNC-CQSZACIVSA-N 2 2 234.343 1.665 10 0 BDAELP Cc1cc(N2CC[C@@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000050249596 178117095 /nfs/dbraw/zinc/11/70/95/178117095.db2.gz VZEPNHYUKONAMA-NSHDSACASA-N 2 2 234.347 1.693 10 0 BDAELP Cc1cc(N2C[C@H]3C[NH2+][C@H]3C2)c[nH+]c1C ZINC000028866035 178122208 /nfs/dbraw/zinc/12/22/08/178122208.db2.gz QEYUSQRGGVRBMY-PWSUYJOCSA-N 2 2 203.289 1.106 10 0 BDAELP CCC(CC)N(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000036788866 168369446 /nfs/dbraw/zinc/36/94/46/168369446.db2.gz WHJSYZYYHWSWRN-CQSZACIVSA-N 2 2 239.407 1.530 10 0 BDAELP CCC(CC)N(C)[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000036788867 168369478 /nfs/dbraw/zinc/36/94/78/168369478.db2.gz WHJSYZYYHWSWRN-AWEZNQCLSA-N 2 2 239.407 1.530 10 0 BDAELP CCC(CC)[N@H+](CC[NH3+])[C@@H]1CCCCNC1=O ZINC000104318459 168373198 /nfs/dbraw/zinc/37/31/98/168373198.db2.gz BJHVYWARYDINKZ-GFCCVEGCSA-N 2 2 241.379 1.104 10 0 BDAELP CCC(CC)[N@@H+](CC[NH3+])[C@@H]1CCCCNC1=O ZINC000104318459 168373201 /nfs/dbraw/zinc/37/32/01/168373201.db2.gz BJHVYWARYDINKZ-GFCCVEGCSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[NH+](CCC)C[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040637317 538971775 /nfs/dbraw/zinc/97/17/75/538971775.db2.gz LMFKKIQIJHHNCQ-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000305984394 259337314 /nfs/dbraw/zinc/33/73/14/259337314.db2.gz GAKAMPWGHNRZSY-OLZOCXBDSA-N 2 2 244.423 1.959 10 0 BDAELP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235340220 187229466 /nfs/dbraw/zinc/22/94/66/187229466.db2.gz ZMCAAROCGYLHHB-ZWNOBZJWSA-N 2 2 236.363 1.288 10 0 BDAELP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235340220 187229468 /nfs/dbraw/zinc/22/94/68/187229468.db2.gz ZMCAAROCGYLHHB-ZWNOBZJWSA-N 2 2 236.363 1.288 10 0 BDAELP CC[C@H]([NH3+])c1cn(Cc2[nH+]ccn2C(C)C)nn1 ZINC000641051788 362161212 /nfs/dbraw/zinc/16/12/12/362161212.db2.gz RUKYZLOZAHQDAJ-JTQLQIEISA-N 2 2 248.334 1.514 10 0 BDAELP C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671393 343408505 /nfs/dbraw/zinc/40/85/05/343408505.db2.gz YVZVBESUFXMARG-HIFRSBDPSA-N 2 2 248.370 1.274 10 0 BDAELP C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671393 343408506 /nfs/dbraw/zinc/40/85/06/343408506.db2.gz YVZVBESUFXMARG-HIFRSBDPSA-N 2 2 248.370 1.274 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)[C@@H](C)[NH3+] ZINC000042450650 343438906 /nfs/dbraw/zinc/43/89/06/343438906.db2.gz QBBMKSDBACKGMZ-CHWFTXMASA-N 2 2 200.326 1.221 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C)[C@@H](C)[NH3+] ZINC000042450650 343438910 /nfs/dbraw/zinc/43/89/10/343438910.db2.gz QBBMKSDBACKGMZ-CHWFTXMASA-N 2 2 200.326 1.221 10 0 BDAELP Cc1nc(N[C@@H](C[NH3+])CC(C)C)cc[nH+]1 ZINC000082593022 343450291 /nfs/dbraw/zinc/45/02/91/343450291.db2.gz IKLYZZTUWUJTTE-SNVBAGLBSA-N 2 2 208.309 1.570 10 0 BDAELP Cc1nccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)n1 ZINC000054790646 136373135 /nfs/dbraw/zinc/37/31/35/136373135.db2.gz UOHCDIPFEZLWFB-JTQLQIEISA-N 2 2 231.303 1.160 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccc2CCO)C1 ZINC000616621980 343525107 /nfs/dbraw/zinc/52/51/07/343525107.db2.gz XAJJNGPDMMZTSF-AWEZNQCLSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccccc2CCO)C1 ZINC000616621980 343525110 /nfs/dbraw/zinc/52/51/10/343525110.db2.gz XAJJNGPDMMZTSF-AWEZNQCLSA-N 2 2 248.370 1.360 10 0 BDAELP C[NH2+][C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000409442624 343858434 /nfs/dbraw/zinc/85/84/34/343858434.db2.gz YGVOCONEHPTSEX-QWHCGFSZSA-N 2 2 204.317 1.917 10 0 BDAELP C[C@H]1C[C@@H]([NH3+])C[N@H+](C[Si](C)(C)C)C1 ZINC000401868962 343917178 /nfs/dbraw/zinc/91/71/78/343917178.db2.gz VBSWPIJILSGIHJ-VHSXEESVSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@H]1C[C@@H]([NH3+])C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868962 343917179 /nfs/dbraw/zinc/91/71/79/343917179.db2.gz VBSWPIJILSGIHJ-VHSXEESVSA-N 2 2 200.402 1.533 10 0 BDAELP CN(C)c1c(C[NH3+])c[nH+]cc1OC1CC1 ZINC000095738167 187288118 /nfs/dbraw/zinc/28/81/18/187288118.db2.gz YGJRZPAAVKHRJR-UHFFFAOYSA-N 2 2 207.277 1.148 10 0 BDAELP Cc1cnccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000385029690 344300671 /nfs/dbraw/zinc/30/06/71/344300671.db2.gz KIJIYRBEGZJRIW-CMPLNLGQSA-N 2 2 205.305 1.312 10 0 BDAELP Cc1cnccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000385029690 344300673 /nfs/dbraw/zinc/30/06/73/344300673.db2.gz KIJIYRBEGZJRIW-CMPLNLGQSA-N 2 2 205.305 1.312 10 0 BDAELP CCSCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600886927 344386228 /nfs/dbraw/zinc/38/62/28/344386228.db2.gz UPXORAGGYDOBHP-QWRGUYRKSA-N 2 2 232.393 1.178 10 0 BDAELP CCSCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000600886927 344386230 /nfs/dbraw/zinc/38/62/30/344386230.db2.gz UPXORAGGYDOBHP-QWRGUYRKSA-N 2 2 232.393 1.178 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000050269884 344667096 /nfs/dbraw/zinc/66/70/96/344667096.db2.gz NZUIVJRPPWUUIJ-VIFPVBQESA-N 2 2 234.221 1.804 10 0 BDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000049555765 187293604 /nfs/dbraw/zinc/29/36/04/187293604.db2.gz OXFRIYSXWLNRGV-MJBXVCDLSA-N 2 2 242.407 1.856 10 0 BDAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccc(O)cc1 ZINC000011848843 345031454 /nfs/dbraw/zinc/03/14/54/345031454.db2.gz NXDNPWVEDFFOKB-NSHDSACASA-N 2 2 203.245 1.289 10 0 BDAELP CCOc1ccc([C@@H]([NH3+])C[NH3+])cc1OC ZINC000044469088 345085109 /nfs/dbraw/zinc/08/51/09/345085109.db2.gz XXMIULXHLXDBIY-VIFPVBQESA-N 2 2 210.277 1.052 10 0 BDAELP CC(C)c1nc(N2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000212412026 345734197 /nfs/dbraw/zinc/73/41/97/345734197.db2.gz FBDHHSBKPUZPFM-SNVBAGLBSA-N 2 2 220.320 1.528 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC000381765888 346025577 /nfs/dbraw/zinc/02/55/77/346025577.db2.gz PFDXUTDXUYUUPD-VCNAMUQVSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC000381765888 346025579 /nfs/dbraw/zinc/02/55/79/346025579.db2.gz PFDXUTDXUYUUPD-VCNAMUQVSA-N 2 2 202.729 1.941 10 0 BDAELP Cc1[nH]c(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)[nH+]c1C ZINC000628279771 346290959 /nfs/dbraw/zinc/29/09/59/346290959.db2.gz YONDPUBERPTBOF-BXKDBHETSA-N 2 2 236.363 1.408 10 0 BDAELP C[C@@H]1CCS[C@@]2(CC[NH2+]C[C@@H]2C)[NH2+]1 ZINC000229565571 346437558 /nfs/dbraw/zinc/43/75/58/346437558.db2.gz RQEGCTUXWWQDLD-IVZWLZJFSA-N 2 2 200.351 1.427 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222011899 349969955 /nfs/dbraw/zinc/96/99/55/349969955.db2.gz RUHKFWIASUNFBN-RNJXMRFFSA-N 2 2 201.339 1.137 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000222011899 349969960 /nfs/dbraw/zinc/96/99/60/349969960.db2.gz RUHKFWIASUNFBN-RNJXMRFFSA-N 2 2 201.339 1.137 10 0 BDAELP Cc1cccc(Cn2cc[nH+]c2CC[NH3+])c1 ZINC000052304145 179109334 /nfs/dbraw/zinc/10/93/34/179109334.db2.gz SFHZHENDSCHMTD-UHFFFAOYSA-N 2 2 215.300 1.741 10 0 BDAELP Cc1cccc(OCC[N@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000044418298 179165791 /nfs/dbraw/zinc/16/57/91/179165791.db2.gz DWHUXNHFTZWJRS-AWEZNQCLSA-N 2 2 248.370 1.915 10 0 BDAELP Cc1cccc(OCC[N@@H+]2CC[NH2+]C[C@H](C)C2)c1 ZINC000044418298 179165793 /nfs/dbraw/zinc/16/57/93/179165793.db2.gz DWHUXNHFTZWJRS-AWEZNQCLSA-N 2 2 248.370 1.915 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](O)C2)c1 ZINC000042966412 179198663 /nfs/dbraw/zinc/19/86/63/179198663.db2.gz WFDIHJMXMOTTJM-KBPBESRZSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@H](O)C2)c1 ZINC000042966412 179198666 /nfs/dbraw/zinc/19/86/66/179198666.db2.gz WFDIHJMXMOTTJM-KBPBESRZSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+](CCO)C2CC2)c1 ZINC000042967510 179203786 /nfs/dbraw/zinc/20/37/86/179203786.db2.gz KMMNIXKRVIBONT-WFASDCNBSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](CCO)C2CC2)c1 ZINC000042967510 179203788 /nfs/dbraw/zinc/20/37/88/179203788.db2.gz KMMNIXKRVIBONT-WFASDCNBSA-N 2 2 248.370 1.840 10 0 BDAELP C[NH2+][C@H]1CCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000250762323 362819699 /nfs/dbraw/zinc/81/96/99/362819699.db2.gz ROTLVPOVCGAQPS-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+][C@H]1CCC[N@H+]([C@H]2CCCSC2)C1 ZINC000250762323 362819706 /nfs/dbraw/zinc/81/97/06/362819706.db2.gz ROTLVPOVCGAQPS-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP Cc1ccccc1C[N@@H+](C)[C@@]1(C[NH3+])CCOC1 ZINC000104070776 179269282 /nfs/dbraw/zinc/26/92/82/179269282.db2.gz QVFQKUBXALBMOZ-CQSZACIVSA-N 2 2 234.343 1.545 10 0 BDAELP Cc1ccccc1C[N@H+](C)[C@@]1(C[NH3+])CCOC1 ZINC000104070776 179269283 /nfs/dbraw/zinc/26/92/83/179269283.db2.gz QVFQKUBXALBMOZ-CQSZACIVSA-N 2 2 234.343 1.545 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCCC[C@@H]1CO ZINC000043036008 179342784 /nfs/dbraw/zinc/34/27/84/179342784.db2.gz XQQPSIGRLGNIFY-HIFRSBDPSA-N 2 2 248.370 1.842 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCCC[C@@H]1CO ZINC000043036008 179342786 /nfs/dbraw/zinc/34/27/86/179342786.db2.gz XQQPSIGRLGNIFY-HIFRSBDPSA-N 2 2 248.370 1.842 10 0 BDAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[NH+]1CCC(O)CC1 ZINC000043033643 179346301 /nfs/dbraw/zinc/34/63/01/179346301.db2.gz XXEGIDCOVRQDOD-WFASDCNBSA-N 2 2 248.370 1.840 10 0 BDAELP c1cc(N[C@H]2CCC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC000212229664 349310104 /nfs/dbraw/zinc/31/01/04/349310104.db2.gz QRYUGFTUAUFBDA-JTQLQIEISA-N 2 2 218.304 1.518 10 0 BDAELP Cc1[nH]c2cc(CCOC(=O)CC[NH3+])ccc2[nH+]1 ZINC000077417168 180091493 /nfs/dbraw/zinc/09/14/93/180091493.db2.gz CFNDVCQJHCCKHE-UHFFFAOYSA-N 2 2 247.298 1.306 10 0 BDAELP Cc1[nH]c2ccc(CCOC(=O)CC[NH3+])cc2[nH+]1 ZINC000077417168 180091496 /nfs/dbraw/zinc/09/14/96/180091496.db2.gz CFNDVCQJHCCKHE-UHFFFAOYSA-N 2 2 247.298 1.306 10 0 BDAELP Cc1nccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038037592 180191898 /nfs/dbraw/zinc/19/18/98/180191898.db2.gz USYMWIPUKKRWSB-WCQYABFASA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000038037592 180191900 /nfs/dbraw/zinc/19/19/00/180191900.db2.gz USYMWIPUKKRWSB-WCQYABFASA-N 2 2 248.374 1.605 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104159226 180254533 /nfs/dbraw/zinc/25/45/33/180254533.db2.gz AVSFVSXBAUYPKX-DGCLKSJQSA-N 3 2 236.363 1.393 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)CCC[C@@H]1C[NH3+] ZINC000104159226 180254534 /nfs/dbraw/zinc/25/45/34/180254534.db2.gz AVSFVSXBAUYPKX-DGCLKSJQSA-N 3 2 236.363 1.393 10 0 BDAELP Cc1[nH+]cn(C[C@H]([NH3+])c2ccco2)c1C ZINC000040544028 180287909 /nfs/dbraw/zinc/28/79/09/180287909.db2.gz PUTWFFZOMGPWIX-JTQLQIEISA-N 2 2 205.261 1.793 10 0 BDAELP Cc1[nH+]cn(-c2ncc(C[NH3+])cc2Cl)c1C ZINC000051928484 180285396 /nfs/dbraw/zinc/28/53/96/180285396.db2.gz GWJRGCNVEGZBKD-UHFFFAOYSA-N 2 2 236.706 1.996 10 0 BDAELP Cc1ncsc1CN(C)c1cc[nH+]c(C[NH3+])c1 ZINC000104435895 180315549 /nfs/dbraw/zinc/31/55/49/180315549.db2.gz RTVMOVHMNLKGQK-UHFFFAOYSA-N 2 2 248.355 1.942 10 0 BDAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CSC1(C)C ZINC000393857169 259415199 /nfs/dbraw/zinc/41/51/99/259415199.db2.gz VRGMOVKIZZLYNG-MXWKQRLJSA-N 2 2 244.404 1.237 10 0 BDAELP CNc1cccc([C@H]2CCOCC[N@@H+]2CC[NH3+])c1 ZINC000616598177 350657346 /nfs/dbraw/zinc/65/73/46/350657346.db2.gz HRUXQCPZOYDEOL-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1cccc([C@H]2CCOCC[N@H+]2CC[NH3+])c1 ZINC000616598177 350657349 /nfs/dbraw/zinc/65/73/49/350657349.db2.gz HRUXQCPZOYDEOL-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CC[N@@H+]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339132786 350736141 /nfs/dbraw/zinc/73/61/41/350736141.db2.gz KWTUXAXWMFZMFB-SNVBAGLBSA-N 2 2 245.330 1.854 10 0 BDAELP CC[N@H+]1CCC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339132786 350736144 /nfs/dbraw/zinc/73/61/44/350736144.db2.gz KWTUXAXWMFZMFB-SNVBAGLBSA-N 2 2 245.330 1.854 10 0 BDAELP CC[C@](C)(C[NH3+])[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000034679262 350783795 /nfs/dbraw/zinc/78/37/95/350783795.db2.gz ZTQLZCGGCMFWER-GMTAPVOTSA-N 2 2 200.326 1.223 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616603095 350789240 /nfs/dbraw/zinc/78/92/40/350789240.db2.gz AUGTXRDRIKUIFG-ZDUSSCGKSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616603095 350789242 /nfs/dbraw/zinc/78/92/42/350789242.db2.gz AUGTXRDRIKUIFG-ZDUSSCGKSA-N 2 2 219.332 1.610 10 0 BDAELP CNc1ccccc1[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000616614868 350841401 /nfs/dbraw/zinc/84/14/01/350841401.db2.gz YRBLUJROQWBJAS-LLVKDONJSA-N 2 2 219.332 1.476 10 0 BDAELP CNc1ccccc1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616614868 350841404 /nfs/dbraw/zinc/84/14/04/350841404.db2.gz YRBLUJROQWBJAS-LLVKDONJSA-N 2 2 219.332 1.476 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000616620669 350945274 /nfs/dbraw/zinc/94/52/74/350945274.db2.gz JYVZTKWMEBJKIA-LBPRGKRZSA-N 2 2 205.305 1.220 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000616620669 350945275 /nfs/dbraw/zinc/94/52/75/350945275.db2.gz JYVZTKWMEBJKIA-LBPRGKRZSA-N 2 2 205.305 1.220 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCS[C@@H](C)CC1 ZINC000306776778 351017613 /nfs/dbraw/zinc/01/76/13/351017613.db2.gz ZVBNPBAYTFWRKL-JGVFFNPUSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@H+]1CCS[C@@H](C)CC1 ZINC000306776778 351017615 /nfs/dbraw/zinc/01/76/15/351017615.db2.gz ZVBNPBAYTFWRKL-JGVFFNPUSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCS[C@@H](C)CC1 ZINC000306776780 351018011 /nfs/dbraw/zinc/01/80/11/351018011.db2.gz ZVBNPBAYTFWRKL-YUMQZZPRSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCS[C@@H](C)CC1 ZINC000306776780 351018017 /nfs/dbraw/zinc/01/80/17/351018017.db2.gz ZVBNPBAYTFWRKL-YUMQZZPRSA-N 2 2 201.339 1.138 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000616621638 351043606 /nfs/dbraw/zinc/04/36/06/351043606.db2.gz UJIZUNLJCHXASA-GFCCVEGCSA-N 2 2 205.305 1.220 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000616621638 351043609 /nfs/dbraw/zinc/04/36/09/351043609.db2.gz UJIZUNLJCHXASA-GFCCVEGCSA-N 2 2 205.305 1.220 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616627399 351094676 /nfs/dbraw/zinc/09/46/76/351094676.db2.gz AUGTXRDRIKUIFG-CYBMUJFWSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616627399 351094678 /nfs/dbraw/zinc/09/46/78/351094678.db2.gz AUGTXRDRIKUIFG-CYBMUJFWSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CCN1C[C@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616686163 351256154 /nfs/dbraw/zinc/25/61/54/351256154.db2.gz XUXLHUBDLQAUJW-GFCCVEGCSA-N 2 2 243.314 1.342 10 0 BDAELP [NH3+]CCN1C[C@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616686163 351256159 /nfs/dbraw/zinc/25/61/59/351256159.db2.gz XUXLHUBDLQAUJW-GFCCVEGCSA-N 2 2 243.314 1.342 10 0 BDAELP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616662962 351214738 /nfs/dbraw/zinc/21/47/38/351214738.db2.gz FTKCJNPLAALKOC-LBPRGKRZSA-N 2 2 206.289 1.194 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616662962 351214742 /nfs/dbraw/zinc/21/47/42/351214742.db2.gz FTKCJNPLAALKOC-LBPRGKRZSA-N 2 2 206.289 1.194 10 0 BDAELP [NH3+]C[C@@H]1CC[C@@H]1[N@@H+]1CCC=C(Br)C1 ZINC000404537171 351498278 /nfs/dbraw/zinc/49/82/78/351498278.db2.gz HIYPDWFSUPBEAB-WPRPVWTQSA-N 2 2 245.164 1.708 10 0 BDAELP [NH3+]C[C@@H]1CC[C@@H]1[N@H+]1CCC=C(Br)C1 ZINC000404537171 351498282 /nfs/dbraw/zinc/49/82/82/351498282.db2.gz HIYPDWFSUPBEAB-WPRPVWTQSA-N 2 2 245.164 1.708 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000232004811 351507300 /nfs/dbraw/zinc/50/73/00/351507300.db2.gz WZXQPJWYQRGATC-ABRRARGCSA-N 2 2 202.729 1.942 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000232004811 351507301 /nfs/dbraw/zinc/50/73/01/351507301.db2.gz WZXQPJWYQRGATC-ABRRARGCSA-N 2 2 202.729 1.942 10 0 BDAELP CC[C@@H]1CS[C@@]2(CCC[NH2+][C@@H]2C)[NH2+]1 ZINC000307201124 351602154 /nfs/dbraw/zinc/60/21/54/351602154.db2.gz ZMPJTPYBOBUCFU-OPRDCNLKSA-N 2 2 200.351 1.570 10 0 BDAELP Cc1nc(N[C@H]2C[NH2+]CC[C@@H]2C)cc[nH+]1 ZINC000389734550 352552466 /nfs/dbraw/zinc/55/24/66/352552466.db2.gz SUKGDDCRZXDPJI-WPRPVWTQSA-N 2 2 206.293 1.195 10 0 BDAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@@H+]1C1CSC1 ZINC000307663075 352748439 /nfs/dbraw/zinc/74/84/39/352748439.db2.gz IKXWFDBYQSLAQG-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1CCC[C@@H](C[NH3+])[N@H+]1C1CSC1 ZINC000307663075 352748441 /nfs/dbraw/zinc/74/84/41/352748441.db2.gz IKXWFDBYQSLAQG-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP Cn1c[nH+]cc1CN(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000328637224 187907988 /nfs/dbraw/zinc/90/79/88/187907988.db2.gz OMPHJIMPUBORTO-LLVKDONJSA-N 2 2 234.347 1.137 10 0 BDAELP FC(F)Cn1c[nH+]cc1[C@@H]1CC[NH2+]C1 ZINC000131440375 353001174 /nfs/dbraw/zinc/00/11/74/353001174.db2.gz XPPWFVSGVOYVGD-SSDOTTSWSA-N 2 2 201.220 1.225 10 0 BDAELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCO ZINC000306815320 353041178 /nfs/dbraw/zinc/04/11/78/353041178.db2.gz BVGRUPHDNCVYRS-GFCCVEGCSA-N 2 2 222.332 1.089 10 0 BDAELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCO ZINC000306815320 353041182 /nfs/dbraw/zinc/04/11/82/353041182.db2.gz BVGRUPHDNCVYRS-GFCCVEGCSA-N 2 2 222.332 1.089 10 0 BDAELP CC[C@H]1C[NH2+]CC[C@]12[NH2+]CCCS2 ZINC000229823280 355419655 /nfs/dbraw/zinc/41/96/55/355419655.db2.gz PIEFSPJPZJWQET-VHSXEESVSA-N 2 2 200.351 1.429 10 0 BDAELP C[N@H+]1C[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1 ZINC000308431000 355578050 /nfs/dbraw/zinc/57/80/50/355578050.db2.gz TVIXOVYFPSBSAY-CSGBJPQYSA-N 2 2 200.713 1.232 10 0 BDAELP C[N@@H+]1C[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1 ZINC000308431000 355578052 /nfs/dbraw/zinc/57/80/52/355578052.db2.gz TVIXOVYFPSBSAY-CSGBJPQYSA-N 2 2 200.713 1.232 10 0 BDAELP C[NH+]1C[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2C1 ZINC000308431000 355578054 /nfs/dbraw/zinc/57/80/54/355578054.db2.gz TVIXOVYFPSBSAY-CSGBJPQYSA-N 2 2 200.713 1.232 10 0 BDAELP C[NH+]1C[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2C1 ZINC000308431000 355578057 /nfs/dbraw/zinc/57/80/57/355578057.db2.gz TVIXOVYFPSBSAY-CSGBJPQYSA-N 2 2 200.713 1.232 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000389142884 355731567 /nfs/dbraw/zinc/73/15/67/355731567.db2.gz HODAIQODDNGFDF-MELADBBJSA-N 2 2 240.391 1.874 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000389142884 355731568 /nfs/dbraw/zinc/73/15/68/355731568.db2.gz HODAIQODDNGFDF-MELADBBJSA-N 2 2 240.391 1.874 10 0 BDAELP Cc1ccc(C[NH2+]C2CC[NH+](CCO)CC2)o1 ZINC000399160965 355777188 /nfs/dbraw/zinc/77/71/88/355777188.db2.gz FGJHXHQJTGBUHQ-UHFFFAOYSA-N 2 2 238.331 1.134 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000336192995 134124117 /nfs/dbraw/zinc/12/41/17/134124117.db2.gz HPJGSGXIZRRSQN-NWDGAFQWSA-N 2 2 236.363 1.646 10 0 BDAELP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)c1 ZINC000384362861 356621392 /nfs/dbraw/zinc/62/13/92/356621392.db2.gz HZEFWPMLNOFESU-HNNXBMFYSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)c1 ZINC000384362861 356621394 /nfs/dbraw/zinc/62/13/94/356621394.db2.gz HZEFWPMLNOFESU-HNNXBMFYSA-N 2 2 248.370 1.541 10 0 BDAELP [NH3+][C@@H]1C=C(c2cccc(F)c2F)C[NH2+]C1 ZINC000675077911 538513608 /nfs/dbraw/zinc/51/36/08/538513608.db2.gz JXFZRIWNIJPGQZ-MRVPVSSYSA-N 2 2 210.227 1.279 10 0 BDAELP [NH3+][C@H]1C=C(c2cccc(F)c2F)C[NH2+]C1 ZINC000675077915 538514090 /nfs/dbraw/zinc/51/40/90/538514090.db2.gz JXFZRIWNIJPGQZ-QMMMGPOBSA-N 2 2 210.227 1.279 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccc(Cl)s2)C[NH2+]C1 ZINC000675079404 538517862 /nfs/dbraw/zinc/51/78/62/538517862.db2.gz YIRSLBFIUOSNRE-SSDOTTSWSA-N 2 2 214.721 1.715 10 0 BDAELP CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)[C@H]1CCOC1 ZINC000389515646 356889372 /nfs/dbraw/zinc/88/93/72/356889372.db2.gz FYEGWIZDWLBBLA-AVGNSLFASA-N 2 2 226.364 1.485 10 0 BDAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)[C@H]1CCOC1 ZINC000389515646 356889375 /nfs/dbraw/zinc/88/93/75/356889375.db2.gz FYEGWIZDWLBBLA-AVGNSLFASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000389531724 356969814 /nfs/dbraw/zinc/96/98/14/356969814.db2.gz INRYWCKOXZQXIW-FRRDWIJNSA-N 2 2 237.391 1.295 10 0 BDAELP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000389531724 356969817 /nfs/dbraw/zinc/96/98/17/356969817.db2.gz INRYWCKOXZQXIW-FRRDWIJNSA-N 2 2 237.391 1.295 10 0 BDAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000389531724 356969820 /nfs/dbraw/zinc/96/98/20/356969820.db2.gz INRYWCKOXZQXIW-FRRDWIJNSA-N 2 2 237.391 1.295 10 0 BDAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000389531724 356969824 /nfs/dbraw/zinc/96/98/24/356969824.db2.gz INRYWCKOXZQXIW-FRRDWIJNSA-N 2 2 237.391 1.295 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](OC)C1 ZINC000300042108 357176726 /nfs/dbraw/zinc/17/67/26/357176726.db2.gz NFDVMFDQXZDFEW-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](OC)C1 ZINC000300042108 357176727 /nfs/dbraw/zinc/17/67/27/357176727.db2.gz NFDVMFDQXZDFEW-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP CC(C)[NH+](C(C)C)[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948681 538891003 /nfs/dbraw/zinc/89/10/03/538891003.db2.gz TVDTXPOWZOBRGI-QWRGUYRKSA-N 2 2 202.317 1.805 10 0 BDAELP F[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000584649677 358304035 /nfs/dbraw/zinc/30/40/35/358304035.db2.gz IDLREJYJULHSPE-CHWSQXEVSA-N 2 2 220.291 1.430 10 0 BDAELP F[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000584649677 358304037 /nfs/dbraw/zinc/30/40/37/358304037.db2.gz IDLREJYJULHSPE-CHWSQXEVSA-N 2 2 220.291 1.430 10 0 BDAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227824 358335575 /nfs/dbraw/zinc/33/55/75/358335575.db2.gz MLBSJZRQNXPEAE-MGPQQGTHSA-N 2 2 240.391 1.754 10 0 BDAELP OCCC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000052762780 358793606 /nfs/dbraw/zinc/79/36/06/358793606.db2.gz LQRKRJVALMWLLP-LBPRGKRZSA-N 2 2 223.320 1.120 10 0 BDAELP OCCC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000052762780 358793609 /nfs/dbraw/zinc/79/36/09/358793609.db2.gz LQRKRJVALMWLLP-LBPRGKRZSA-N 2 2 223.320 1.120 10 0 BDAELP c1cn(CC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000246683797 359157341 /nfs/dbraw/zinc/15/73/41/359157341.db2.gz VZJIRAXQBIIDAD-OLZOCXBDSA-N 2 2 235.331 1.527 10 0 BDAELP c1cn(CC[N@H+]2CCO[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000246683797 359157345 /nfs/dbraw/zinc/15/73/45/359157345.db2.gz VZJIRAXQBIIDAD-OLZOCXBDSA-N 2 2 235.331 1.527 10 0 BDAELP CC(C)([NH3+])C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000306304714 359587555 /nfs/dbraw/zinc/58/75/55/359587555.db2.gz BVQQWNPARVIFOC-ZETCQYMHSA-N 2 2 210.243 1.608 10 0 BDAELP CC(C)([NH3+])C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000306304714 359587557 /nfs/dbraw/zinc/58/75/57/359587557.db2.gz BVQQWNPARVIFOC-ZETCQYMHSA-N 2 2 210.243 1.608 10 0 BDAELP CC[C@H]([NH3+])C[N@H+](CCOC)Cc1ccccc1 ZINC000306523868 360361966 /nfs/dbraw/zinc/36/19/66/360361966.db2.gz VPXSSJVVGDSGAH-AWEZNQCLSA-N 2 2 236.359 1.872 10 0 BDAELP CC[C@H]([NH3+])C[N@@H+](CCOC)Cc1ccccc1 ZINC000306523868 360361971 /nfs/dbraw/zinc/36/19/71/360361971.db2.gz VPXSSJVVGDSGAH-AWEZNQCLSA-N 2 2 236.359 1.872 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@@H](C[NH3+])C1CC1 ZINC000069760802 360408026 /nfs/dbraw/zinc/40/80/26/360408026.db2.gz ZWMUOWDNLSFFBD-SCZZXKLOSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CSCC[N@H+]1[C@@H](C[NH3+])C1CC1 ZINC000069760802 360408030 /nfs/dbraw/zinc/40/80/30/360408030.db2.gz ZWMUOWDNLSFFBD-SCZZXKLOSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]([C@H]1C[NH2+]CCO1)[N@H+](C)C(C)(C)C ZINC000306638402 361586086 /nfs/dbraw/zinc/58/60/86/361586086.db2.gz BZXCDJWTMPTCOO-NXEZZACHSA-N 2 2 200.326 1.094 10 0 BDAELP C[C@H]([C@H]1C[NH2+]CCO1)[N@@H+](C)C(C)(C)C ZINC000306638402 361586092 /nfs/dbraw/zinc/58/60/92/361586092.db2.gz BZXCDJWTMPTCOO-NXEZZACHSA-N 2 2 200.326 1.094 10 0 BDAELP [NH3+]C1CCC(Nc2[nH+]cccc2O)CC1 ZINC000095072124 181342455 /nfs/dbraw/zinc/34/24/55/181342455.db2.gz MEHZSQBYJVIZNF-UHFFFAOYSA-N 2 2 207.277 1.469 10 0 BDAELP CO[C@H]1C[N@H+](CCOCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364655 364083293 /nfs/dbraw/zinc/08/32/93/364083293.db2.gz FXQGTXFHVLXLCB-CHWSQXEVSA-N 2 2 244.379 1.097 10 0 BDAELP CO[C@H]1C[N@@H+](CCOCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364655 364083299 /nfs/dbraw/zinc/08/32/99/364083299.db2.gz FXQGTXFHVLXLCB-CHWSQXEVSA-N 2 2 244.379 1.097 10 0 BDAELP C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000630555010 364252783 /nfs/dbraw/zinc/25/27/83/364252783.db2.gz XZSFWANMSZWGMR-MNOVXSKESA-N 2 2 244.342 1.604 10 0 BDAELP C[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@@H]1C[NH3+] ZINC000630555011 364253529 /nfs/dbraw/zinc/25/35/29/364253529.db2.gz XZSFWANMSZWGMR-QWRGUYRKSA-N 2 2 244.342 1.604 10 0 BDAELP C[C@H]1C[C@H]([NH3+])CN1c1[nH]c2ccccc2[nH+]1 ZINC000630558282 364256841 /nfs/dbraw/zinc/25/68/41/364256841.db2.gz SULGJANQALTODA-IUCAKERBSA-N 2 2 216.288 1.489 10 0 BDAELP Cc1nc(N[C@H]2CC[C@H](C[NH3+])CC2)cc[nH+]1 ZINC000630557271 364258695 /nfs/dbraw/zinc/25/86/95/364258695.db2.gz OLZRITJOWQJFIA-XYPYZODXSA-N 2 2 220.320 1.714 10 0 BDAELP [NH3+]CCCn1c[nH+]c2cc(F)c(F)cc21 ZINC000019408119 181389544 /nfs/dbraw/zinc/38/95/44/181389544.db2.gz PLLJISVZNZTGSF-UHFFFAOYSA-N 2 2 211.215 1.663 10 0 BDAELP [NH3+]CC[NH2+]Cc1cc(Br)ccc1F ZINC000037712252 181396760 /nfs/dbraw/zinc/39/67/60/181396760.db2.gz SSZRIFDITUILHN-UHFFFAOYSA-N 2 2 247.111 1.637 10 0 BDAELP CC[N@@H+]1CC[C@@H](C[NH3+])[C@H]1c1nccs1 ZINC000252776396 368061897 /nfs/dbraw/zinc/06/18/97/368061897.db2.gz XYBSUGHLHWQOEO-IUCAKERBSA-N 2 2 211.334 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H](C[NH3+])[C@H]1c1nccs1 ZINC000252776396 368061901 /nfs/dbraw/zinc/06/19/01/368061901.db2.gz XYBSUGHLHWQOEO-IUCAKERBSA-N 2 2 211.334 1.485 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161388345 368141468 /nfs/dbraw/zinc/14/14/68/368141468.db2.gz ZUMWLCGNDNBBNM-VIFPVBQESA-N 2 2 247.111 1.807 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000308570088 326135601 /nfs/dbraw/zinc/13/56/01/326135601.db2.gz BRYRXRLHEPHYJF-JTQLQIEISA-N 2 2 200.301 1.562 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000308570088 326135608 /nfs/dbraw/zinc/13/56/08/326135608.db2.gz BRYRXRLHEPHYJF-JTQLQIEISA-N 2 2 200.301 1.562 10 0 BDAELP CC[N@@H+]1CCO[C@H](CNc2cccc[nH+]2)C1 ZINC000123040390 369217053 /nfs/dbraw/zinc/21/70/53/369217053.db2.gz VXQKYTBWYGQPTN-LLVKDONJSA-N 2 2 221.304 1.214 10 0 BDAELP CC[N@H+]1CCO[C@H](CNc2cccc[nH+]2)C1 ZINC000123040390 369217058 /nfs/dbraw/zinc/21/70/58/369217058.db2.gz VXQKYTBWYGQPTN-LLVKDONJSA-N 2 2 221.304 1.214 10 0 BDAELP [NH3+]Cc1ccc([C@H](O)Cn2cc[nH+]c2)cc1 ZINC000035727629 181486966 /nfs/dbraw/zinc/48/69/66/181486966.db2.gz SCOJAVWUAYCCIC-GFCCVEGCSA-N 2 2 217.272 1.075 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2SC)C1 ZINC000389853834 371178087 /nfs/dbraw/zinc/17/80/87/371178087.db2.gz ZJWHCXYBUMTQMD-NNYUYHANSA-N 2 2 228.405 1.810 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@H]2SC)C1 ZINC000389853834 371178090 /nfs/dbraw/zinc/17/80/90/371178090.db2.gz ZJWHCXYBUMTQMD-NNYUYHANSA-N 2 2 228.405 1.810 10 0 BDAELP CC[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133028593 371974340 /nfs/dbraw/zinc/97/43/40/371974340.db2.gz INXUJPYUDHLMIN-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133028593 371974347 /nfs/dbraw/zinc/97/43/47/371974347.db2.gz INXUJPYUDHLMIN-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1CCSC(N[C@@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000133524151 372069124 /nfs/dbraw/zinc/06/91/24/372069124.db2.gz FTJQSJPZZGCTDX-DTWKUNHWSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@H]1CCSC(N[C@@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000133524151 372069125 /nfs/dbraw/zinc/06/91/25/372069125.db2.gz FTJQSJPZZGCTDX-DTWKUNHWSA-N 2 2 213.350 1.162 10 0 BDAELP Cc1nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)oc1C ZINC000631840016 372635603 /nfs/dbraw/zinc/63/56/03/372635603.db2.gz OHFOFPPZTQAWFJ-KCJUWKMLSA-N 2 2 223.320 1.318 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)oc1C ZINC000631840016 372635610 /nfs/dbraw/zinc/63/56/10/372635610.db2.gz OHFOFPPZTQAWFJ-KCJUWKMLSA-N 2 2 223.320 1.318 10 0 BDAELP CCc1nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000631839983 372636930 /nfs/dbraw/zinc/63/69/30/372636930.db2.gz NQLVHZRQJKEQLO-VHSXEESVSA-N 2 2 239.388 1.732 10 0 BDAELP CCc1nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cs1 ZINC000631839983 372636934 /nfs/dbraw/zinc/63/69/34/372636934.db2.gz NQLVHZRQJKEQLO-VHSXEESVSA-N 2 2 239.388 1.732 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000040502651 373360111 /nfs/dbraw/zinc/36/01/11/373360111.db2.gz JCMNPWKVKPKLDN-LBPRGKRZSA-N 2 2 228.405 1.956 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCSCC2)C1 ZINC000040502651 373360120 /nfs/dbraw/zinc/36/01/20/373360120.db2.gz JCMNPWKVKPKLDN-LBPRGKRZSA-N 2 2 228.405 1.956 10 0 BDAELP CCOCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178296240 134305919 /nfs/dbraw/zinc/30/59/19/134305919.db2.gz OGUHBTZYROCFQD-CYBMUJFWSA-N 2 2 237.347 1.692 10 0 BDAELP CCOCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178296240 134305920 /nfs/dbraw/zinc/30/59/20/134305920.db2.gz OGUHBTZYROCFQD-CYBMUJFWSA-N 2 2 237.347 1.692 10 0 BDAELP [NH3+][C@@H]1CCCC[C@@H]1[NH+]1CCSCC1 ZINC000040989025 373977699 /nfs/dbraw/zinc/97/76/99/373977699.db2.gz XKYOTIQTLDCPEJ-ZJUUUORDSA-N 2 2 200.351 1.305 10 0 BDAELP CCC[N@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226431 169088648 /nfs/dbraw/zinc/08/86/48/169088648.db2.gz VILUGXIUAPHXBI-LLVKDONJSA-N 2 2 236.315 1.757 10 0 BDAELP CCC[N@@H+](C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226431 169088650 /nfs/dbraw/zinc/08/86/50/169088650.db2.gz VILUGXIUAPHXBI-LLVKDONJSA-N 2 2 236.315 1.757 10 0 BDAELP O[C@H]1CCCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575088 183231931 /nfs/dbraw/zinc/23/19/31/183231931.db2.gz MWVJBBIPPPNWED-KGLIPLIRSA-N 2 2 240.391 1.756 10 0 BDAELP Oc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1F ZINC000083362118 183270418 /nfs/dbraw/zinc/27/04/18/183270418.db2.gz IUJIBOAVRBBNAP-UHFFFAOYSA-N 2 2 235.262 1.587 10 0 BDAELP Oc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1F ZINC000083362118 183270420 /nfs/dbraw/zinc/27/04/20/183270420.db2.gz IUJIBOAVRBBNAP-UHFFFAOYSA-N 2 2 235.262 1.587 10 0 BDAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906518 169166390 /nfs/dbraw/zinc/16/63/90/169166390.db2.gz OQCUGKSIUZGWBE-CQSZACIVSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000042906518 169166394 /nfs/dbraw/zinc/16/63/94/169166394.db2.gz OQCUGKSIUZGWBE-CQSZACIVSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[NH+]1CCC([NH2+][C@H](C)c2cc[nH]n2)CC1 ZINC000037906950 169189381 /nfs/dbraw/zinc/18/93/81/169189381.db2.gz OHRNWQWGUMCMHC-LLVKDONJSA-N 2 2 236.363 1.935 10 0 BDAELP CCC[NH+]1CCC(Nc2ccc(N)c[nH+]2)CC1 ZINC000049554977 169190355 /nfs/dbraw/zinc/19/03/55/169190355.db2.gz VXVNFXAVGCZTOS-UHFFFAOYSA-N 2 2 234.347 1.950 10 0 BDAELP c1cc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c[nH]1 ZINC000128420647 183347136 /nfs/dbraw/zinc/34/71/36/183347136.db2.gz BMOBNLMHCBCDEI-NWDGAFQWSA-N 2 2 205.305 1.199 10 0 BDAELP c1cc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c[nH]1 ZINC000128420647 183347138 /nfs/dbraw/zinc/34/71/38/183347138.db2.gz BMOBNLMHCBCDEI-NWDGAFQWSA-N 2 2 205.305 1.199 10 0 BDAELP CCC[NH2+]C1CC[NH+]([C@H](C)CC[NH+](C)C)CC1 ZINC000049557911 169255777 /nfs/dbraw/zinc/25/57/77/169255777.db2.gz PSMZDQWLJSAXCH-CYBMUJFWSA-N 3 2 241.423 1.791 10 0 BDAELP c1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000041262967 183368237 /nfs/dbraw/zinc/36/82/37/183368237.db2.gz UPVKYKOQQRLVKQ-LLVKDONJSA-N 2 2 234.299 1.257 10 0 BDAELP CCC[NH2+]CC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419955 169260961 /nfs/dbraw/zinc/26/09/61/169260961.db2.gz QKIHXFHDFULWBV-ZDUSSCGKSA-N 3 2 241.423 1.791 10 0 BDAELP CCC[NH2+]CC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419955 169260963 /nfs/dbraw/zinc/26/09/63/169260963.db2.gz QKIHXFHDFULWBV-ZDUSSCGKSA-N 3 2 241.423 1.791 10 0 BDAELP CCC[C@@H](C)N(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000036790392 169366487 /nfs/dbraw/zinc/36/64/87/169366487.db2.gz YKNQDFJHLPTUAH-TZMCWYRMSA-N 2 2 239.407 1.530 10 0 BDAELP CCC[C@@H](C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461493 169383723 /nfs/dbraw/zinc/38/37/23/169383723.db2.gz LWJXHXXQSZLANI-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP CCC[C@@H](C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461493 169383725 /nfs/dbraw/zinc/38/37/25/169383725.db2.gz LWJXHXXQSZLANI-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP [NH3+]CC[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000035269782 383845906 /nfs/dbraw/zinc/84/59/06/383845906.db2.gz AJZPMIZIBQXAOS-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]CC[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000035269782 383845910 /nfs/dbraw/zinc/84/59/10/383845910.db2.gz AJZPMIZIBQXAOS-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP Cc1cc(C)c(C[NH3+])c(N2CCCC2)[nH+]1 ZINC000036379947 383901381 /nfs/dbraw/zinc/90/13/81/383901381.db2.gz ORPXQUBSCPPHOR-UHFFFAOYSA-N 2 2 205.305 1.757 10 0 BDAELP C([C@@H]1CSCCC[NH2+]1)[NH+]1CCCC1 ZINC000077101494 384395856 /nfs/dbraw/zinc/39/58/56/384395856.db2.gz MVRQYXDJZGVVRQ-SNVBAGLBSA-N 2 2 200.351 1.177 10 0 BDAELP CN(c1cc[nH+]c(C2CC2)n1)[C@H]1CC[NH2+]C1 ZINC000212221299 384563054 /nfs/dbraw/zinc/56/30/54/384563054.db2.gz RUQTXKBVIBNSPC-JTQLQIEISA-N 2 2 218.304 1.152 10 0 BDAELP C[C@@H](C[NH3+])N(C)c1[nH+]c2ccccc2n1C ZINC000212220192 384562287 /nfs/dbraw/zinc/56/22/87/384562287.db2.gz BBBRINZIHIIGMZ-VIFPVBQESA-N 2 2 218.304 1.357 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc2c(cc1Cl)OCO2 ZINC000044472617 384741393 /nfs/dbraw/zinc/74/13/93/384741393.db2.gz DJDIORMDEMZRNT-ZETCQYMHSA-N 2 2 214.652 1.027 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1c(F)cccc1C(F)(F)F ZINC000072201028 384816311 /nfs/dbraw/zinc/81/63/11/384816311.db2.gz PVMVSSVWEBABDP-ZETCQYMHSA-N 2 2 222.185 1.803 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cccc(F)c1Br ZINC000072201278 384814514 /nfs/dbraw/zinc/81/45/14/384814514.db2.gz OFRLYVPJMIWMDJ-ZETCQYMHSA-N 2 2 233.084 1.547 10 0 BDAELP C([N@@H+]1CCO[C@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992583 384895644 /nfs/dbraw/zinc/89/56/44/384895644.db2.gz USLSCUCRKJVHNE-QPPOZKHWSA-N 2 2 236.359 1.382 10 0 BDAELP C([N@H+]1CCO[C@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992583 384895655 /nfs/dbraw/zinc/89/56/55/384895655.db2.gz USLSCUCRKJVHNE-QPPOZKHWSA-N 2 2 236.359 1.382 10 0 BDAELP C[C@H](CC[NH3+])Nc1cc(NC2CC2)nc[nH+]1 ZINC000258674521 384934437 /nfs/dbraw/zinc/93/44/37/384934437.db2.gz OTZUWEGKWTVRFB-MRVPVSSYSA-N 2 2 221.308 1.200 10 0 BDAELP C[C@H](CC[NH3+])Nc1cc(NC2CC2)[nH+]cn1 ZINC000258674521 384934444 /nfs/dbraw/zinc/93/44/44/384934444.db2.gz OTZUWEGKWTVRFB-MRVPVSSYSA-N 2 2 221.308 1.200 10 0 BDAELP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC[NH+](C)C)C12CCC2 ZINC000365122949 385091736 /nfs/dbraw/zinc/09/17/36/385091736.db2.gz FLCYVJVGAYLYAV-SDDRHHMPSA-N 2 2 226.364 1.341 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000309031359 385379625 /nfs/dbraw/zinc/37/96/25/385379625.db2.gz DYUYJXVYCZBFSX-IJLUTSLNSA-N 2 2 214.353 1.341 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000309031359 385379629 /nfs/dbraw/zinc/37/96/29/385379629.db2.gz DYUYJXVYCZBFSX-IJLUTSLNSA-N 2 2 214.353 1.341 10 0 BDAELP Cc1c[nH+]c(C2C[NH2+]C2)n1Cc1cccnc1 ZINC000169676705 385417242 /nfs/dbraw/zinc/41/72/42/385417242.db2.gz KBYBKDRALKLOCR-UHFFFAOYSA-N 2 2 228.299 1.322 10 0 BDAELP Cc1ccc(O)c(C[NH+](C)C[C@H]2CC[N@H+](C)C2)n1 ZINC000156017876 385428024 /nfs/dbraw/zinc/42/80/24/385428024.db2.gz SHYQWUOTDLSMSP-LBPRGKRZSA-N 2 2 249.358 1.479 10 0 BDAELP Cc1ccc(O)c(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)n1 ZINC000156017876 385428029 /nfs/dbraw/zinc/42/80/29/385428029.db2.gz SHYQWUOTDLSMSP-LBPRGKRZSA-N 2 2 249.358 1.479 10 0 BDAELP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000250644064 385603265 /nfs/dbraw/zinc/60/32/65/385603265.db2.gz IKSVZAZIOXSKBR-CHWSQXEVSA-N 2 2 202.301 1.480 10 0 BDAELP c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000250644064 385603267 /nfs/dbraw/zinc/60/32/67/385603267.db2.gz IKSVZAZIOXSKBR-CHWSQXEVSA-N 2 2 202.301 1.480 10 0 BDAELP CCSCC[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000309644629 385768139 /nfs/dbraw/zinc/76/81/39/385768139.db2.gz LWKWHQLHKBEWMI-NSHDSACASA-N 2 2 239.388 1.849 10 0 BDAELP CCc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000272811167 385937464 /nfs/dbraw/zinc/93/74/64/385937464.db2.gz CKWHEHOIPOYYEE-GXFFZTMASA-N 2 2 248.374 1.734 10 0 BDAELP C[NH+](C)[C@H]1CCC[C@@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401299 386455809 /nfs/dbraw/zinc/45/58/09/386455809.db2.gz JILWGYSCRUUVRA-ONGXEEELSA-N 2 2 208.309 1.068 10 0 BDAELP Fc1cccc(F)c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398384590 386816493 /nfs/dbraw/zinc/81/64/93/386816493.db2.gz VXWVJVPAYOQDLG-VIFPVBQESA-N 2 2 226.270 1.664 10 0 BDAELP C[C@H]1CCS[C@@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575577373 387035118 /nfs/dbraw/zinc/03/51/18/387035118.db2.gz XABWOSJVWHCABH-VHSXEESVSA-N 2 2 200.351 1.571 10 0 BDAELP C[N@@H+]1CCO[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000250368160 387041422 /nfs/dbraw/zinc/04/14/22/387041422.db2.gz HFCLSNXNNDZCMZ-NWDGAFQWSA-N 2 2 206.289 1.017 10 0 BDAELP C[N@H+]1CCO[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000250368160 387041424 /nfs/dbraw/zinc/04/14/24/387041424.db2.gz HFCLSNXNNDZCMZ-NWDGAFQWSA-N 2 2 206.289 1.017 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C[C@H]1F ZINC000575458649 387028581 /nfs/dbraw/zinc/02/85/81/387028581.db2.gz KMNKVEKMMUFWDN-OLZOCXBDSA-N 2 2 222.307 1.818 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C[C@H]1F ZINC000575458649 387028585 /nfs/dbraw/zinc/02/85/85/387028585.db2.gz KMNKVEKMMUFWDN-OLZOCXBDSA-N 2 2 222.307 1.818 10 0 BDAELP CC(C)(C)c1[nH+]c2n(c1C[NH3+])CCCC2 ZINC000083986887 387155242 /nfs/dbraw/zinc/15/52/42/387155242.db2.gz FKQGLCXAOLCXCX-UHFFFAOYSA-N 2 2 207.321 1.976 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000571980946 387214292 /nfs/dbraw/zinc/21/42/92/387214292.db2.gz IOUUZYDMMJCZQR-QNWHQSFQSA-N 2 2 226.364 1.626 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000571980946 387214297 /nfs/dbraw/zinc/21/42/97/387214297.db2.gz IOUUZYDMMJCZQR-QNWHQSFQSA-N 2 2 226.364 1.626 10 0 BDAELP CC1(C)CC[N@@H+]1C[C@@H]1CSCC[NH2+]1 ZINC000575594076 387226687 /nfs/dbraw/zinc/22/66/87/387226687.db2.gz CZLPZKVQQNYUGZ-SECBINFHSA-N 2 2 200.351 1.176 10 0 BDAELP CC1(C)CC[N@H+]1C[C@@H]1CSCC[NH2+]1 ZINC000575594076 387226691 /nfs/dbraw/zinc/22/66/91/387226691.db2.gz CZLPZKVQQNYUGZ-SECBINFHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1C[C@@]2(CC[NH2+]1)[NH2+][C@@H](C)CCS2 ZINC000575512942 387385449 /nfs/dbraw/zinc/38/54/49/387385449.db2.gz VWDIYHPDRIHIQS-AEJSXWLSSA-N 2 2 200.351 1.570 10 0 BDAELP [NH3+][C@@H]1CCCCC[N@@H+](C2CSC2)C1 ZINC000575547021 387636647 /nfs/dbraw/zinc/63/66/47/387636647.db2.gz WGIPXQSWNSNWFZ-SECBINFHSA-N 2 2 200.351 1.305 10 0 BDAELP [NH3+][C@@H]1CCCCC[N@H+](C2CSC2)C1 ZINC000575547021 387636651 /nfs/dbraw/zinc/63/66/51/387636651.db2.gz WGIPXQSWNSNWFZ-SECBINFHSA-N 2 2 200.351 1.305 10 0 BDAELP COC[C@@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000126356300 387679419 /nfs/dbraw/zinc/67/94/19/387679419.db2.gz NAFVCNBVTVYHJQ-ZIAGYGMSSA-N 2 2 242.407 1.977 10 0 BDAELP C[C@@H](C[NH3+])[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575561960 387702559 /nfs/dbraw/zinc/70/25/59/387702559.db2.gz XPIPDBSWUFUVGA-AEJSXWLSSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H](C[NH3+])[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575561960 387702566 /nfs/dbraw/zinc/70/25/66/387702566.db2.gz XPIPDBSWUFUVGA-AEJSXWLSSA-N 2 2 200.351 1.304 10 0 BDAELP COCC[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000045035337 387703793 /nfs/dbraw/zinc/70/37/93/387703793.db2.gz HDVBGSWPZDCKKK-QWHCGFSZSA-N 2 2 230.396 1.977 10 0 BDAELP COCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515975 387923137 /nfs/dbraw/zinc/92/31/37/387923137.db2.gz ZOJKGTHRXNJWBT-ZDUSSCGKSA-N 2 2 249.358 1.852 10 0 BDAELP COCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515975 387923142 /nfs/dbraw/zinc/92/31/42/387923142.db2.gz ZOJKGTHRXNJWBT-ZDUSSCGKSA-N 2 2 249.358 1.852 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCOCC1(C)C ZINC000042463160 388093978 /nfs/dbraw/zinc/09/39/78/388093978.db2.gz VBRYXCSUCRPWIW-JTQLQIEISA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCOCC1(C)C ZINC000042463160 388093980 /nfs/dbraw/zinc/09/39/80/388093980.db2.gz VBRYXCSUCRPWIW-JTQLQIEISA-N 2 2 200.326 1.081 10 0 BDAELP O[C@H](C[NH2+]Cc1ccco1)C[NH+]1CCCCC1 ZINC000195422449 388163623 /nfs/dbraw/zinc/16/36/23/388163623.db2.gz NAXYQPKFLXWCOB-GFCCVEGCSA-N 2 2 238.331 1.216 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)C[C@@H]1[NH3+] ZINC000300050045 388346926 /nfs/dbraw/zinc/34/69/26/388346926.db2.gz WSKBEZAVJABCJB-UPJWGTAASA-N 2 2 238.375 1.757 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)C[C@@H]1[NH3+] ZINC000300050045 388346929 /nfs/dbraw/zinc/34/69/29/388346929.db2.gz WSKBEZAVJABCJB-UPJWGTAASA-N 2 2 238.375 1.757 10 0 BDAELP C[C@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000082944221 256748633 /nfs/dbraw/zinc/74/86/33/256748633.db2.gz JOJXIZGFYNPMLN-RHYQMDGZSA-N 2 2 226.364 1.340 10 0 BDAELP c1ccc2c(c1)CCN2CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000067868480 388407170 /nfs/dbraw/zinc/40/71/70/388407170.db2.gz LCWBOBXWMYISQX-CQSZACIVSA-N 2 2 245.370 1.391 10 0 BDAELP c1ccc2[nH+]c(N3CC[C@H]4C[NH2+]C[C@H]43)[nH]c2c1 ZINC000037757010 388647354 /nfs/dbraw/zinc/64/73/54/388647354.db2.gz WESCRKAPQQMDLF-JOYOIKCWSA-N 2 2 228.299 1.361 10 0 BDAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1C[Si](C)(C)C ZINC000575455492 388777136 /nfs/dbraw/zinc/77/71/36/388777136.db2.gz JPQCVHFKDRISPQ-VHSXEESVSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1C[Si](C)(C)C ZINC000575455492 388777138 /nfs/dbraw/zinc/77/71/38/388777138.db2.gz JPQCVHFKDRISPQ-VHSXEESVSA-N 2 2 200.402 1.675 10 0 BDAELP CCc1nc(N2CC[NH2+]CC2)c(CC)c(C)[nH+]1 ZINC000045950796 132299247 /nfs/dbraw/zinc/29/92/47/132299247.db2.gz AGGFBSBYBVLZCB-UHFFFAOYSA-N 2 2 234.347 1.319 10 0 BDAELP c1ccc2c(c1)[nH+]ncc2N1CC[NH2+]CC1 ZINC000041227633 132349451 /nfs/dbraw/zinc/34/94/51/132349451.db2.gz WNOQDSSKTAOGHI-UHFFFAOYSA-N 2 2 214.272 1.039 10 0 BDAELP C[C@H]1CCCN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051396206 132360054 /nfs/dbraw/zinc/36/00/54/132360054.db2.gz MOFRNFVVIIPPPL-JTQLQIEISA-N 2 2 205.305 1.777 10 0 BDAELP Cc1cc(N)c[nH+]c1N1CC[NH+](C(C)(C)C)CC1 ZINC000052813026 132362510 /nfs/dbraw/zinc/36/25/10/132362510.db2.gz KSGQMWFVYAHQJR-UHFFFAOYSA-N 2 2 248.374 1.893 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCCO ZINC000178317564 134308384 /nfs/dbraw/zinc/30/83/84/134308384.db2.gz LXGLNOAMXPZMES-CYBMUJFWSA-N 2 2 237.347 1.428 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCCO ZINC000178317564 134308385 /nfs/dbraw/zinc/30/83/85/134308385.db2.gz LXGLNOAMXPZMES-CYBMUJFWSA-N 2 2 237.347 1.428 10 0 BDAELP CCCC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226858837 134370561 /nfs/dbraw/zinc/37/05/61/134370561.db2.gz 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/nfs/dbraw/zinc/15/77/96/135157796.db2.gz YIEZEGUKMAGAKY-ZETCQYMHSA-N 2 2 213.350 1.457 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cccnc2)[C@H](C[NH3+])C1 ZINC000261535193 135168688 /nfs/dbraw/zinc/16/86/88/135168688.db2.gz WDPTYYMRGLFVFQ-AAEUAGOBSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cccnc2)[C@H](C[NH3+])C1 ZINC000261535193 135168689 /nfs/dbraw/zinc/16/86/89/135168689.db2.gz WDPTYYMRGLFVFQ-AAEUAGOBSA-N 2 2 219.332 1.641 10 0 BDAELP CC1(C)C[N@H+](Cc2cncs2)CC[C@@H]1[NH3+] ZINC000261538023 135175905 /nfs/dbraw/zinc/17/59/05/135175905.db2.gz XERZSOQQDFQBNY-JTQLQIEISA-N 2 2 225.361 1.702 10 0 BDAELP CC1(C)C[N@@H+](Cc2cncs2)CC[C@@H]1[NH3+] ZINC000261538023 135175907 /nfs/dbraw/zinc/17/59/07/135175907.db2.gz XERZSOQQDFQBNY-JTQLQIEISA-N 2 2 225.361 1.702 10 0 BDAELP Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)nc(C(C)C)[nH+]1 ZINC000261552200 135191378 /nfs/dbraw/zinc/19/13/78/135191378.db2.gz MPWQXUIBWJFULE-MNOVXSKESA-N 2 2 234.347 1.834 10 0 BDAELP CCc1nc(N2CCC[C@@H](C)[C@H]2C[NH3+])cc(C)[nH+]1 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Cc1cc(C)cc(OCC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300086666 411081909 /nfs/dbraw/zinc/08/19/09/411081909.db2.gz LRCYZSDRMSVZTP-DZGCQCFKSA-N 2 2 248.370 1.961 10 0 BDAELP Cc1cc(C)cc(OCC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300086666 411081914 /nfs/dbraw/zinc/08/19/14/411081914.db2.gz LRCYZSDRMSVZTP-DZGCQCFKSA-N 2 2 248.370 1.961 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658033986 411209556 /nfs/dbraw/zinc/20/95/56/411209556.db2.gz FMJQUHCPUTZBFS-RYUDHWBXSA-N 2 2 224.348 1.382 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658033986 411209558 /nfs/dbraw/zinc/20/95/58/411209558.db2.gz FMJQUHCPUTZBFS-RYUDHWBXSA-N 2 2 224.348 1.382 10 0 BDAELP OC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657371631 411484836 /nfs/dbraw/zinc/48/48/36/411484836.db2.gz XSYLNRWIZZCOOO-DGCLKSJQSA-N 2 2 249.358 1.470 10 0 BDAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(C)n2)C1 ZINC000054790673 170008479 /nfs/dbraw/zinc/00/84/79/170008479.db2.gz JLFLODOZEAHLFF-LBPRGKRZSA-N 2 2 234.347 1.216 10 0 BDAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(C)n2)C1 ZINC000054790673 170008480 /nfs/dbraw/zinc/00/84/80/170008480.db2.gz JLFLODOZEAHLFF-LBPRGKRZSA-N 2 2 234.347 1.216 10 0 BDAELP CC[N@@H+]1CC[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000040727243 170009710 /nfs/dbraw/zinc/00/97/10/170009710.db2.gz FQTGIAHNYXXMNP-NSHDSACASA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@H+]1CC[C@@H](CNc2cc(C)[nH+]cn2)C1 ZINC000040727243 170009712 /nfs/dbraw/zinc/00/97/12/170009712.db2.gz FQTGIAHNYXXMNP-NSHDSACASA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@@H+]1CC[C@H](CNc2cc(C)[nH+]cn2)C1 ZINC000040727241 170017326 /nfs/dbraw/zinc/01/73/26/170017326.db2.gz FQTGIAHNYXXMNP-LLVKDONJSA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@H+]1CC[C@H](CNc2cc(C)[nH+]cn2)C1 ZINC000040727241 170017327 /nfs/dbraw/zinc/01/73/27/170017327.db2.gz FQTGIAHNYXXMNP-LLVKDONJSA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328219992 170021435 /nfs/dbraw/zinc/02/14/35/170021435.db2.gz YDKCLSITISTFDM-LBPRGKRZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328219992 170021436 /nfs/dbraw/zinc/02/14/36/170021436.db2.gz YDKCLSITISTFDM-LBPRGKRZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCCCO)[C@@H](C)C1 ZINC000309942303 170037679 /nfs/dbraw/zinc/03/76/79/170037679.db2.gz BZYRNICTPNMGTK-AVGNSLFASA-N 2 2 228.380 1.467 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCCCO)[C@@H](C)C1 ZINC000309942303 170037680 /nfs/dbraw/zinc/03/76/80/170037680.db2.gz BZYRNICTPNMGTK-AVGNSLFASA-N 2 2 228.380 1.467 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000309950055 170039419 /nfs/dbraw/zinc/03/94/19/170039419.db2.gz FSCPLAQIWOMCEO-RWMBFGLXSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000309950055 170039420 /nfs/dbraw/zinc/03/94/20/170039420.db2.gz FSCPLAQIWOMCEO-RWMBFGLXSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000336769307 170040227 /nfs/dbraw/zinc/04/02/27/170040227.db2.gz USYBSEHLQDEFFB-SDDRHHMPSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000336769307 170040228 /nfs/dbraw/zinc/04/02/28/170040228.db2.gz USYBSEHLQDEFFB-SDDRHHMPSA-N 2 2 228.405 1.812 10 0 BDAELP CC[NH2+]CC[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052544076 170117446 /nfs/dbraw/zinc/11/74/46/170117446.db2.gz WIFFJOLZODQELI-ZDUSSCGKSA-N 3 2 241.423 1.791 10 0 BDAELP CC[NH2+]CC[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052544076 170117448 /nfs/dbraw/zinc/11/74/48/170117448.db2.gz WIFFJOLZODQELI-ZDUSSCGKSA-N 3 2 241.423 1.791 10 0 BDAELP CC[NH2+]C[C@@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000053696958 170120221 /nfs/dbraw/zinc/12/02/21/170120221.db2.gz RWYACXLIHMEFKG-NSHDSACASA-N 2 2 220.320 1.363 10 0 BDAELP CC[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382332 170129281 /nfs/dbraw/zinc/12/92/81/170129281.db2.gz CJXZIVNJYPJVLU-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1ccoc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382332 170129283 /nfs/dbraw/zinc/12/92/83/170129283.db2.gz CJXZIVNJYPJVLU-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382334 170129737 /nfs/dbraw/zinc/12/97/37/170129737.db2.gz CJXZIVNJYPJVLU-NSHDSACASA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1ccoc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382334 170129738 /nfs/dbraw/zinc/12/97/38/170129738.db2.gz CJXZIVNJYPJVLU-NSHDSACASA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000042821655 170151228 /nfs/dbraw/zinc/15/12/28/170151228.db2.gz UYRHPHZYMHFWBP-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000042821655 170151230 /nfs/dbraw/zinc/15/12/30/170151230.db2.gz UYRHPHZYMHFWBP-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CCOCCC[NH2+]C[C@@H](C)[N@@H+]1CCCOCC1 ZINC000061936640 170380645 /nfs/dbraw/zinc/38/06/45/170380645.db2.gz JOBYPVPABWGWLH-CYBMUJFWSA-N 2 2 244.379 1.113 10 0 BDAELP CCOCCC[NH2+]C[C@@H](C)[N@H+]1CCCOCC1 ZINC000061936640 170380646 /nfs/dbraw/zinc/38/06/46/170380646.db2.gz JOBYPVPABWGWLH-CYBMUJFWSA-N 2 2 244.379 1.113 10 0 BDAELP CC(C)[N@@H+]1CCO[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616684039 411872485 /nfs/dbraw/zinc/87/24/85/411872485.db2.gz AMRZVGSTAYGPQT-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCO[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616684039 411872490 /nfs/dbraw/zinc/87/24/90/411872490.db2.gz AMRZVGSTAYGPQT-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP CC[C@@H]1CC[N@@H+]([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000049667793 171014609 /nfs/dbraw/zinc/01/46/09/171014609.db2.gz LFXSKNWDIBFGFL-UONOGXRCSA-N 3 2 241.423 1.791 10 0 BDAELP CC[C@@H]1CC[N@H+]([C@@H](C)CC[NH+](C)C)CCC[NH2+]1 ZINC000049667793 171014611 /nfs/dbraw/zinc/01/46/11/171014611.db2.gz LFXSKNWDIBFGFL-UONOGXRCSA-N 3 2 241.423 1.791 10 0 BDAELP CC[C@@H]1C[NH2+][C@@H](C)CN1CCCn1cc[nH+]c1 ZINC000083364160 171101580 /nfs/dbraw/zinc/10/15/80/171101580.db2.gz YVSWLSUWXDHLDQ-QWHCGFSZSA-N 2 2 236.363 1.346 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCOC(C)(C)C1 ZINC000036232701 171372174 /nfs/dbraw/zinc/37/21/74/171372174.db2.gz NPLJBTRORFUSPC-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCOC(C)(C)C1 ZINC000036232701 171372175 /nfs/dbraw/zinc/37/21/75/171372175.db2.gz NPLJBTRORFUSPC-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP CCn1ncc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1C ZINC000020315839 172255415 /nfs/dbraw/zinc/25/54/15/172255415.db2.gz BNRXXYSKZABPDZ-GFCCVEGCSA-N 2 2 222.336 1.135 10 0 BDAELP CCn1ncc(C[N@H+]2CCC[C@@H]2C[NH3+])c1C ZINC000020315839 172255418 /nfs/dbraw/zinc/25/54/18/172255418.db2.gz BNRXXYSKZABPDZ-GFCCVEGCSA-N 2 2 222.336 1.135 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000044562751 173010695 /nfs/dbraw/zinc/01/06/95/173010695.db2.gz JSGCQCZTIWFMGU-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000044562751 173010697 /nfs/dbraw/zinc/01/06/97/173010697.db2.gz JSGCQCZTIWFMGU-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[N@@H+]1CCC[C@@H]1c1nc2c(s1)C[NH2+]C2 ZINC000082374816 173036408 /nfs/dbraw/zinc/03/64/08/173036408.db2.gz NYRPZUUBEKQORT-MRVPVSSYSA-N 2 2 209.318 1.513 10 0 BDAELP C[N@H+]1CCC[C@@H]1c1nc2c(s1)C[NH2+]C2 ZINC000082374816 173036410 /nfs/dbraw/zinc/03/64/10/173036410.db2.gz NYRPZUUBEKQORT-MRVPVSSYSA-N 2 2 209.318 1.513 10 0 BDAELP CN1CC[NH+]([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000019936467 173094751 /nfs/dbraw/zinc/09/47/51/173094751.db2.gz VNBJZMAYOIGXKA-CQSZACIVSA-N 2 2 233.359 1.324 10 0 BDAELP C[N@@H+]1CCc2nc(C3([NH3+])CC3)sc2C1 ZINC000083346044 173174444 /nfs/dbraw/zinc/17/44/44/173174444.db2.gz XABBJJQAQRZPGV-UHFFFAOYSA-N 2 2 209.318 1.079 10 0 BDAELP C[N@H+]1CCc2nc(C3([NH3+])CC3)sc2C1 ZINC000083346044 173174445 /nfs/dbraw/zinc/17/44/45/173174445.db2.gz XABBJJQAQRZPGV-UHFFFAOYSA-N 2 2 209.318 1.079 10 0 BDAELP C[N@H+]1Cc2cccc(Cl)c2[C@@H](C[NH3+])C1 ZINC000057496440 173201026 /nfs/dbraw/zinc/20/10/26/173201026.db2.gz MAGSEYSWBIYISI-VIFPVBQESA-N 2 2 210.708 1.828 10 0 BDAELP C[N@@H+]1Cc2cccc(Cl)c2[C@@H](C[NH3+])C1 ZINC000057496440 173201029 /nfs/dbraw/zinc/20/10/29/173201029.db2.gz MAGSEYSWBIYISI-VIFPVBQESA-N 2 2 210.708 1.828 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000061319774 173319340 /nfs/dbraw/zinc/31/93/40/173319340.db2.gz JOZUECYQKRSMLD-RYUDHWBXSA-N 2 2 226.364 1.628 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000061319774 173319342 /nfs/dbraw/zinc/31/93/42/173319342.db2.gz JOZUECYQKRSMLD-RYUDHWBXSA-N 2 2 226.364 1.628 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000061319800 173319619 /nfs/dbraw/zinc/31/96/19/173319619.db2.gz NEFIVFZJBGBRAF-JTQLQIEISA-N 2 2 214.353 1.484 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000061319800 173319620 /nfs/dbraw/zinc/31/96/20/173319620.db2.gz NEFIVFZJBGBRAF-JTQLQIEISA-N 2 2 214.353 1.484 10 0 BDAELP C[NH2+]CC1(C[NH+]2CCN(C)CC2)CCCC1 ZINC000051209084 173337611 /nfs/dbraw/zinc/33/76/11/173337611.db2.gz HAKFQNZBMRACQW-UHFFFAOYSA-N 2 2 225.380 1.014 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1cn(C)c2ccccc12 ZINC000077400204 173353164 /nfs/dbraw/zinc/35/31/64/173353164.db2.gz PMGNAFKVEDSYRT-UHFFFAOYSA-N 2 2 245.370 1.872 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1cn(C)c2ccccc12 ZINC000077400204 173353166 /nfs/dbraw/zinc/35/31/66/173353166.db2.gz PMGNAFKVEDSYRT-UHFFFAOYSA-N 2 2 245.370 1.872 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000049331256 173368253 /nfs/dbraw/zinc/36/82/53/173368253.db2.gz NCOMARBTTCFPTQ-ZDUSSCGKSA-N 3 2 236.363 1.123 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000049331256 173368254 /nfs/dbraw/zinc/36/82/54/173368254.db2.gz NCOMARBTTCFPTQ-ZDUSSCGKSA-N 3 2 236.363 1.123 10 0 BDAELP C[NH2+]C[C@@H]1CCN(c2ccc([NH+](C)C)cc2)C1 ZINC000053031310 173370902 /nfs/dbraw/zinc/37/09/02/173370902.db2.gz YFHBNZOGPYXGPL-LBPRGKRZSA-N 2 2 233.359 1.798 10 0 BDAELP C[NH2+]C[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)CCO1 ZINC000071544612 173372038 /nfs/dbraw/zinc/37/20/38/173372038.db2.gz YLWQAWONTGOQKL-TZMCWYRMSA-N 2 2 234.343 1.668 10 0 BDAELP C[NH2+]C[C@@H]1C[N@H+]([C@H](C)c2ccccc2)CCO1 ZINC000071544612 173372041 /nfs/dbraw/zinc/37/20/41/173372041.db2.gz YLWQAWONTGOQKL-TZMCWYRMSA-N 2 2 234.343 1.668 10 0 BDAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCOCC1(C)C ZINC000052546005 173373084 /nfs/dbraw/zinc/37/30/84/173373084.db2.gz VAQJJCQUJNMHIC-LLVKDONJSA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCOCC1(C)C ZINC000052546005 173373085 /nfs/dbraw/zinc/37/30/85/173373085.db2.gz VAQJJCQUJNMHIC-LLVKDONJSA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@H]1CC[N@H+](C[C@H](C)C[NH+]2CCCC2)C1 ZINC000062073956 173381497 /nfs/dbraw/zinc/38/14/97/173381497.db2.gz KTQPFAJNBVMPNW-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](C)C[NH+]2CCCC2)C1 ZINC000062073956 173381498 /nfs/dbraw/zinc/38/14/98/173381498.db2.gz KTQPFAJNBVMPNW-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH2+]Cc1oc(Cn2cc[nH+]c2)cc1C ZINC000052575568 173399765 /nfs/dbraw/zinc/39/97/65/173399765.db2.gz KDYHHADNJQGCHE-UHFFFAOYSA-N 2 2 205.261 1.552 10 0 BDAELP COCCC[NH2+]C[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061936441 174247176 /nfs/dbraw/zinc/24/71/76/174247176.db2.gz DLYQPSXGZPKMLO-STQMWFEESA-N 2 2 244.379 1.112 10 0 BDAELP COCCC[NH2+]C[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000061936441 174247177 /nfs/dbraw/zinc/24/71/77/174247177.db2.gz DLYQPSXGZPKMLO-STQMWFEESA-N 2 2 244.379 1.112 10 0 BDAELP COCC[N@H+](C1CC1)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042518165 174284516 /nfs/dbraw/zinc/28/45/16/174284516.db2.gz DXVZPNCYMMKSNT-GJZGRUSLSA-N 2 2 246.354 1.722 10 0 BDAELP COCC[N@@H+](C1CC1)[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042518165 174284517 /nfs/dbraw/zinc/28/45/17/174284517.db2.gz DXVZPNCYMMKSNT-GJZGRUSLSA-N 2 2 246.354 1.722 10 0 BDAELP COCC[N@H+]([C@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000042517943 174284774 /nfs/dbraw/zinc/28/47/74/174284774.db2.gz LICPBINOVUBIJZ-HNNXBMFYSA-N 2 2 248.370 1.667 10 0 BDAELP COCC[N@@H+]([C@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000042517943 174284776 /nfs/dbraw/zinc/28/47/76/174284776.db2.gz LICPBINOVUBIJZ-HNNXBMFYSA-N 2 2 248.370 1.667 10 0 BDAELP COc1ccc(-n2c[nH+]cc2CC[NH3+])cc1OC ZINC000076691643 175044841 /nfs/dbraw/zinc/04/48/41/175044841.db2.gz ZOGDCZGPHZMYFN-UHFFFAOYSA-N 2 2 247.298 1.391 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324569766 487629860 /nfs/dbraw/zinc/62/98/60/487629860.db2.gz WFWJHUVCBHXBMB-VXGBXAGGSA-N 2 2 228.380 1.467 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324569766 487629864 /nfs/dbraw/zinc/62/98/64/487629864.db2.gz WFWJHUVCBHXBMB-VXGBXAGGSA-N 2 2 228.380 1.467 10 0 BDAELP COc1ccc(C[C@@H](C[NH3+])[NH+](C)C)c(OC)c1 ZINC000041280512 175115913 /nfs/dbraw/zinc/11/59/13/175115913.db2.gz CLEUYIFMLDSMIZ-NSHDSACASA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc(Cl)cc1[C@H]([NH3+])C[NH3+] ZINC000044473309 175123391 /nfs/dbraw/zinc/12/33/91/175123391.db2.gz WHTIQRCJFKJJST-MRVPVSSYSA-N 2 2 200.669 1.307 10 0 BDAELP COc1ccc2c(c1)[nH+]c(CC[NH3+])n2C1CC1 ZINC000075975694 175218751 /nfs/dbraw/zinc/21/87/51/175218751.db2.gz WMGQMKZRRDNUBB-UHFFFAOYSA-N 2 2 231.299 1.881 10 0 BDAELP COc1cccc(C[C@H]([NH3+])C[NH+](C)C)c1 ZINC000071511247 175272217 /nfs/dbraw/zinc/27/22/17/175272217.db2.gz XVKKTQMMAWSPJH-NSHDSACASA-N 2 2 208.305 1.127 10 0 BDAELP COc1cccc([C@H]([C@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000043028751 175296174 /nfs/dbraw/zinc/29/61/74/175296174.db2.gz GKWRMOWNVPNADO-GWCFXTLKSA-N 2 2 231.299 1.828 10 0 BDAELP COc1cccc2[nH+]cn([C@H]3CCC[NH2+]C3)c21 ZINC000215835239 175308212 /nfs/dbraw/zinc/30/82/12/175308212.db2.gz KCCKOXGRCYIIBY-JTQLQIEISA-N 2 2 231.299 1.969 10 0 BDAELP COc1ccccc1[C@@H]([NH3+])Cn1cc[nH+]c1 ZINC000038808999 175347762 /nfs/dbraw/zinc/34/77/62/175347762.db2.gz BVGDTEVVTJOUNI-NSHDSACASA-N 2 2 217.272 1.592 10 0 BDAELP C[C@@H]1CCC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052375938 176110841 /nfs/dbraw/zinc/11/08/41/176110841.db2.gz HUENTIQXFBBDGA-MRVPVSSYSA-N 2 2 211.334 1.586 10 0 BDAELP C[C@@H]1CCC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052375938 176110842 /nfs/dbraw/zinc/11/08/42/176110842.db2.gz HUENTIQXFBBDGA-MRVPVSSYSA-N 2 2 211.334 1.586 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561784 176271943 /nfs/dbraw/zinc/27/19/43/176271943.db2.gz BZDAPBXJNLWRRT-APPZFPTMSA-N 2 2 204.264 1.324 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561784 176271945 /nfs/dbraw/zinc/27/19/45/176271945.db2.gz BZDAPBXJNLWRRT-APPZFPTMSA-N 2 2 204.264 1.324 10 0 BDAELP C[C@H]1CCC[C@@](C[NH3+])([NH+]2CCOCC2)C1 ZINC000019511839 177127521 /nfs/dbraw/zinc/12/75/21/177127521.db2.gz ZGOOFFOWCCIXBX-NWDGAFQWSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000042278876 177170687 /nfs/dbraw/zinc/17/06/87/177170687.db2.gz XHCKCPMESZZPMT-JQWIXIFHSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000042278876 177170688 /nfs/dbraw/zinc/17/06/88/177170688.db2.gz XHCKCPMESZZPMT-JQWIXIFHSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@H]1C[NH+](C2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000019513907 177240262 /nfs/dbraw/zinc/24/02/62/177240262.db2.gz WQHVZTWNRVYWGI-RYUDHWBXSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H](c1cccnc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662163 177283439 /nfs/dbraw/zinc/28/34/39/177283439.db2.gz VDEBNCSLNUVWGL-RYUDHWBXSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H](c1cccnc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662163 177283442 /nfs/dbraw/zinc/28/34/42/177283442.db2.gz VDEBNCSLNUVWGL-RYUDHWBXSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361771 226341676 /nfs/dbraw/zinc/34/16/76/226341676.db2.gz QHEDAYRDLOOGHW-RDBSUJKOSA-N 3 2 239.407 1.448 10 0 BDAELP CC(C)n1cc[nH+]c1CN(C)[C@H]1CC[NH2+]C1 ZINC000570931673 323074695 /nfs/dbraw/zinc/07/46/95/323074695.db2.gz ZLUCGUOKWYNTMD-NSHDSACASA-N 2 2 222.336 1.258 10 0 BDAELP CCC[C@H]([NH3+])c1cn(Cc2[nH+]ccn2CC)nn1 ZINC000229954070 490372201 /nfs/dbraw/zinc/37/22/01/490372201.db2.gz DDWDDLOPNJJCNF-JTQLQIEISA-N 2 2 248.334 1.343 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cccnc2)c[nH+]1 ZINC000136080610 491052825 /nfs/dbraw/zinc/05/28/25/491052825.db2.gz PYESFAHLVQBOND-CQSZACIVSA-N 2 2 242.326 1.943 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cccnc2)c[nH+]1 ZINC000136080610 491052827 /nfs/dbraw/zinc/05/28/27/491052827.db2.gz PYESFAHLVQBOND-CQSZACIVSA-N 2 2 242.326 1.943 10 0 BDAELP CC(C)[C@@H]1[NH2+][C@]2(CCC[NH2+]C2)OCC1(C)C ZINC000757153423 582537401 /nfs/dbraw/zinc/53/74/01/582537401.db2.gz VQRREAZVNBFIDO-WCQYABFASA-N 2 2 226.364 1.737 10 0 BDAELP C[C@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400347429 533833134 /nfs/dbraw/zinc/83/31/34/533833134.db2.gz LAAGATNRUQTRIT-STQMWFEESA-N 3 2 239.407 1.448 10 0 BDAELP CC(C)[NH+](CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400423062 528907036 /nfs/dbraw/zinc/90/70/36/528907036.db2.gz XRTQPLKRUBHLIU-UONOGXRCSA-N 3 2 241.423 1.693 10 0 BDAELP Cn1ccnc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000097020581 537908491 /nfs/dbraw/zinc/90/84/91/537908491.db2.gz QEFWNSJNDFQOCO-GFCCVEGCSA-N 2 2 245.330 1.281 10 0 BDAELP Cn1ccnc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000097020581 537908495 /nfs/dbraw/zinc/90/84/95/537908495.db2.gz QEFWNSJNDFQOCO-GFCCVEGCSA-N 2 2 245.330 1.281 10 0 BDAELP C[C@@H](F)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757124888 582500150 /nfs/dbraw/zinc/50/01/50/582500150.db2.gz CLEGSSOTUQATHQ-MNOVXSKESA-N 2 2 200.301 1.562 10 0 BDAELP C[C@@H](F)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757124888 582500151 /nfs/dbraw/zinc/50/01/51/582500151.db2.gz CLEGSSOTUQATHQ-MNOVXSKESA-N 2 2 200.301 1.562 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCC[NH+](C)C ZINC000757134845 582513111 /nfs/dbraw/zinc/51/31/11/582513111.db2.gz XEWJGSKIJOWZDZ-UONOGXRCSA-N 3 2 239.407 1.545 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCC[NH+](C)C ZINC000757134845 582513113 /nfs/dbraw/zinc/51/31/13/582513113.db2.gz XEWJGSKIJOWZDZ-UONOGXRCSA-N 3 2 239.407 1.545 10 0 BDAELP Cc1cc(C)[nH+]c(CN2CC[C@H]2C[NH3+])c1 ZINC000757144311 582525480 /nfs/dbraw/zinc/52/54/80/582525480.db2.gz IXCOYCXTERAJTP-LBPRGKRZSA-N 2 2 205.305 1.231 10 0 BDAELP Cc1ccc(C[N@@H+]2CC[C@@H]2C[NH3+])cc1C ZINC000757147027 582530917 /nfs/dbraw/zinc/53/09/17/582530917.db2.gz SJYXKAWQLHMHOP-CYBMUJFWSA-N 2 2 204.317 1.836 10 0 BDAELP Cc1ccc(C[N@H+]2CC[C@@H]2C[NH3+])cc1C ZINC000757147027 582530919 /nfs/dbraw/zinc/53/09/19/582530919.db2.gz SJYXKAWQLHMHOP-CYBMUJFWSA-N 2 2 204.317 1.836 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214540 586440076 /nfs/dbraw/zinc/44/00/76/586440076.db2.gz MPKYWJCYNHTCOS-JIMOISOXSA-N 3 2 219.332 1.286 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]CC[C@H](C)[C@H]2[NH3+])cc1 ZINC000757215897 586440636 /nfs/dbraw/zinc/44/06/36/586440636.db2.gz NZWDGFVQESJCOR-FZZIBODNSA-N 2 2 232.327 1.887 10 0 BDAELP [NH3+]Cc1cc([C@@H]2[NH2+]CCC[C@H]2[NH3+])ccc1C1CC1 ZINC000757231373 586443396 /nfs/dbraw/zinc/44/33/96/586443396.db2.gz HRTBSQRFHITOCN-CABCVRRESA-N 3 2 245.370 1.775 10 0 BDAELP CC(C)(C)n1cc([C@H]2[NH2+]CCC[C@@H]2[NH3+])cn1 ZINC000757235853 586443587 /nfs/dbraw/zinc/44/35/87/586443587.db2.gz MXQAGOWHVHDLIH-WDEREUQCSA-N 2 2 222.336 1.390 10 0 BDAELP [NH3+]Cc1cc([C@H]2CC[C@H]([NH3+])C[NH2+]2)ccc1C1CC1 ZINC000757238179 586443914 /nfs/dbraw/zinc/44/39/14/586443914.db2.gz RQFQDJHTIWGZGP-DZGCQCFKSA-N 3 2 245.370 1.775 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@H](C[NH3+])C1 ZINC000127575762 590714366 /nfs/dbraw/zinc/71/43/66/590714366.db2.gz GKDXKEDGURAYSN-SNVBAGLBSA-N 2 2 221.304 1.265 10 0 BDAELP CCOC(=O)[C@](C)([NH3+])C[C@@H](C)n1cc[nH+]c1 ZINC000082800119 643382868 /nfs/dbraw/zinc/38/28/68/643382868.db2.gz ARYQAEGUGFLWIS-MWLCHTKSSA-N 2 2 225.292 1.115 10 0 BDAELP CO[C@H]1C[C@@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC000307364407 643455994 /nfs/dbraw/zinc/45/59/94/643455994.db2.gz KCFCMCLIRLTYQM-STQMWFEESA-N 2 2 220.316 1.235 10 0 BDAELP CO[C@H]1C[C@@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC000307364407 643455996 /nfs/dbraw/zinc/45/59/96/643455996.db2.gz KCFCMCLIRLTYQM-STQMWFEESA-N 2 2 220.316 1.235 10 0 BDAELP CC1(C)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)OC1 ZINC000711387330 712296866 /nfs/dbraw/zinc/29/68/66/712296866.db2.gz YHROGBJBGWVAHC-MNOVXSKESA-N 2 2 212.337 1.143 10 0 BDAELP CCc1nc(N2C3CCC2(C[NH3+])CC3)cc(C)[nH+]1 ZINC000722987543 710723910 /nfs/dbraw/zinc/72/39/10/710723910.db2.gz VYUXGEUUXWUQPE-UHFFFAOYSA-N 2 2 246.358 1.808 10 0 BDAELP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1CC[NH3+] ZINC000723882527 711543333 /nfs/dbraw/zinc/54/33/33/711543333.db2.gz JEIBFPYBOSDWAB-GHMZBOCLSA-N 2 2 205.305 1.503 10 0 BDAELP [NH3+]C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(F)(F)F ZINC000709849462 712229921 /nfs/dbraw/zinc/22/99/21/712229921.db2.gz WSXQHPUXTQMZFY-RKDXNWHRSA-N 2 2 245.248 1.655 10 0 BDAELP COc1ccc[nH+]c1NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715123899 712511119 /nfs/dbraw/zinc/51/11/19/712511119.db2.gz UKQNJSOKDNMHBX-DTORHVGOSA-N 2 2 207.277 1.239 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788236 712865624 /nfs/dbraw/zinc/86/56/24/712865624.db2.gz IUZIJSBIPIDZJG-MROQNXINSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720788236 712865626 /nfs/dbraw/zinc/86/56/26/712865626.db2.gz IUZIJSBIPIDZJG-MROQNXINSA-N 2 2 224.348 1.367 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2CC ZINC000685955207 538900598 /nfs/dbraw/zinc/90/05/98/538900598.db2.gz WDHWSKYRWDIMJG-GFCCVEGCSA-N 3 2 225.380 1.284 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2CC ZINC000685955207 538900599 /nfs/dbraw/zinc/90/05/99/538900599.db2.gz WDHWSKYRWDIMJG-GFCCVEGCSA-N 3 2 225.380 1.284 10 0 BDAELP C[NH2+][C@H]([NH3+])CCCC(=O)OC(C)(C)C ZINC000071186623 398145030 /nfs/dbraw/zinc/14/50/30/398145030.db2.gz YIZDRRZCFNNKLB-QMMMGPOBSA-N 2 2 202.298 1.003 10 0 BDAELP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)c(C)n1C ZINC000052790425 178040354 /nfs/dbraw/zinc/04/03/54/178040354.db2.gz MOKMMNNTTIJTAW-AWEZNQCLSA-N 2 2 235.375 1.826 10 0 BDAELP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)n1C ZINC000052790425 178040356 /nfs/dbraw/zinc/04/03/56/178040356.db2.gz MOKMMNNTTIJTAW-AWEZNQCLSA-N 2 2 235.375 1.826 10 0 BDAELP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000379924526 398177286 /nfs/dbraw/zinc/17/72/86/398177286.db2.gz KHAQXRUQNVTCGS-GRYCIOLGSA-N 2 2 214.353 1.076 10 0 BDAELP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000379924526 398177290 /nfs/dbraw/zinc/17/72/90/398177290.db2.gz KHAQXRUQNVTCGS-GRYCIOLGSA-N 2 2 214.353 1.076 10 0 BDAELP Cc1cc([NH3+])ccc1N1CCC[N@@H+](C)CC1 ZINC000036950085 178106238 /nfs/dbraw/zinc/10/62/38/178106238.db2.gz RYHWWKMGZKNQKD-UHFFFAOYSA-N 2 2 219.332 1.719 10 0 BDAELP Cc1cc([NH3+])ccc1N1CCC[N@H+](C)CC1 ZINC000036950085 178106239 /nfs/dbraw/zinc/10/62/39/178106239.db2.gz RYHWWKMGZKNQKD-UHFFFAOYSA-N 2 2 219.332 1.719 10 0 BDAELP Cc1cc(N2CC[C@H]([NH+](C)C)C2)nc(C2CC2)[nH+]1 ZINC000116260866 178119004 /nfs/dbraw/zinc/11/90/04/178119004.db2.gz XWOOLBJDLMRMFN-LBPRGKRZSA-N 2 2 246.358 1.803 10 0 BDAELP CC(C)[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386375233 398207422 /nfs/dbraw/zinc/20/74/22/398207422.db2.gz ZMPPKLOPPQWGBX-NWDGAFQWSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)[C@@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386375233 398207427 /nfs/dbraw/zinc/20/74/27/398207427.db2.gz ZMPPKLOPPQWGBX-NWDGAFQWSA-N 2 2 214.353 1.077 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cc[nH+]c1 ZINC000161867919 349516974 /nfs/dbraw/zinc/51/69/74/349516974.db2.gz GAJWMAFGAXZBOK-QWHCGFSZSA-N 2 2 234.347 1.052 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCn1cc[nH+]c1 ZINC000161867919 349516975 /nfs/dbraw/zinc/51/69/75/349516975.db2.gz GAJWMAFGAXZBOK-QWHCGFSZSA-N 2 2 234.347 1.052 10 0 BDAELP Cc1cc(N[C@H]2CCCC[C@H]2[NH3+])nc[nH+]1 ZINC000040727556 178189093 /nfs/dbraw/zinc/18/90/93/178189093.db2.gz SGSVEVVQBYKOCN-ZJUUUORDSA-N 2 2 206.293 1.467 10 0 BDAELP Cc1cc(N[C@H]2CC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301919878 178189972 /nfs/dbraw/zinc/18/99/72/178189972.db2.gz IUBPGHABBFCBRF-WDEREUQCSA-N 2 2 220.320 1.680 10 0 BDAELP Cc1cc(OCC[N@H+](C)CC[NH3+])ccc1Cl ZINC000077391598 178211186 /nfs/dbraw/zinc/21/11/86/178211186.db2.gz HCWIVAAMIOWPBJ-UHFFFAOYSA-N 2 2 242.750 1.918 10 0 BDAELP Cc1cc(OCC[N@@H+](C)CC[NH3+])ccc1Cl ZINC000077391598 178211188 /nfs/dbraw/zinc/21/11/88/178211188.db2.gz HCWIVAAMIOWPBJ-UHFFFAOYSA-N 2 2 242.750 1.918 10 0 BDAELP CC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000379924527 398243375 /nfs/dbraw/zinc/24/33/75/398243375.db2.gz KHAQXRUQNVTCGS-SDDRHHMPSA-N 2 2 214.353 1.076 10 0 BDAELP CC[C@H](O)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000379924527 398243376 /nfs/dbraw/zinc/24/33/76/398243376.db2.gz KHAQXRUQNVTCGS-SDDRHHMPSA-N 2 2 214.353 1.076 10 0 BDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cscc1Cl ZINC000381583742 398264708 /nfs/dbraw/zinc/26/47/08/398264708.db2.gz GLDTWWPVILPBLV-OIBJUYFYSA-N 2 2 246.763 1.071 10 0 BDAELP CCC(CC)[N@H+](CC[NH3+])CC(=O)NC(C)(C)C ZINC000104318479 168372432 /nfs/dbraw/zinc/37/24/32/168372432.db2.gz PLSCLGPJYZBUEY-UHFFFAOYSA-N 2 2 243.395 1.350 10 0 BDAELP CCC(CC)[N@@H+](CC[NH3+])CC(=O)NC(C)(C)C ZINC000104318479 168372434 /nfs/dbraw/zinc/37/24/34/168372434.db2.gz PLSCLGPJYZBUEY-UHFFFAOYSA-N 2 2 243.395 1.350 10 0 BDAELP [NH3+]CCN1CC[C@H](n2cc[nH+]c2)c2ccccc21 ZINC000616589609 349559789 /nfs/dbraw/zinc/55/97/89/349559789.db2.gz RXZVBWIQSIEEFR-AWEZNQCLSA-N 2 2 242.326 1.641 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cncnc2)c[nH+]1 ZINC000188415984 538978574 /nfs/dbraw/zinc/97/85/74/538978574.db2.gz HKPPUYVICHWFKT-ZDUSSCGKSA-N 2 2 243.314 1.338 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cncnc2)c[nH+]1 ZINC000188415984 538978575 /nfs/dbraw/zinc/97/85/75/538978575.db2.gz HKPPUYVICHWFKT-ZDUSSCGKSA-N 2 2 243.314 1.338 10 0 BDAELP CC[C@H]1CO[C@H](C)C[N@@H+]1C(C)(C)C[NH3+] ZINC000042450408 362002508 /nfs/dbraw/zinc/00/25/08/362002508.db2.gz FRDOSWMIMKVVCK-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H]1CO[C@H](C)C[N@H+]1C(C)(C)C[NH3+] ZINC000042450408 362002511 /nfs/dbraw/zinc/00/25/11/362002511.db2.gz FRDOSWMIMKVVCK-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP Cc1cn(-c2ccc(NC(N)=[NH2+])cc2F)c[nH+]1 ZINC000116678773 342932404 /nfs/dbraw/zinc/93/24/04/342932404.db2.gz WXLPUWGPQHCVCP-UHFFFAOYSA-N 2 2 233.250 1.625 10 0 BDAELP C[C@@H](C[NH3+])[N@H+](Cc1ccccc1)C1CC1 ZINC000043513495 343116454 /nfs/dbraw/zinc/11/64/54/343116454.db2.gz ZLPBUFBEIDHBAR-NSHDSACASA-N 2 2 204.317 1.998 10 0 BDAELP C[C@@H](C[NH3+])[N@@H+](Cc1ccccc1)C1CC1 ZINC000043513495 343116455 /nfs/dbraw/zinc/11/64/55/343116455.db2.gz ZLPBUFBEIDHBAR-NSHDSACASA-N 2 2 204.317 1.998 10 0 BDAELP C[NH2+][C@@H]1Cc2ccccc2C[C@H]1[NH+](C)C ZINC000238349522 343255746 /nfs/dbraw/zinc/25/57/46/343255746.db2.gz WZIWHFKCBKPXFM-CHWSQXEVSA-N 2 2 204.317 1.303 10 0 BDAELP Cc1ccc(C)c(C[NH2+]CC[NH+](C)C)c1 ZINC000035717310 343302482 /nfs/dbraw/zinc/30/24/82/343302482.db2.gz ZBABLSILZHZSRG-UHFFFAOYSA-N 2 2 206.333 1.955 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712039947 537783879 /nfs/dbraw/zinc/78/38/79/537783879.db2.gz IGJQSSNTHVGPGC-CYBMUJFWSA-N 3 2 239.407 1.672 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C(C)C ZINC000712039947 537783885 /nfs/dbraw/zinc/78/38/85/537783885.db2.gz IGJQSSNTHVGPGC-CYBMUJFWSA-N 3 2 239.407 1.672 10 0 BDAELP C[C@H]1CC[N@H+](C[Si](C)(C)C)C[C@@H]1[NH3+] ZINC000401834542 343736045 /nfs/dbraw/zinc/73/60/45/343736045.db2.gz DKGROMFQRKJBTK-UWVGGRQHSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@H]1CC[N@@H+](C[Si](C)(C)C)C[C@@H]1[NH3+] ZINC000401834542 343736047 /nfs/dbraw/zinc/73/60/47/343736047.db2.gz DKGROMFQRKJBTK-UWVGGRQHSA-N 2 2 200.402 1.533 10 0 BDAELP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cscn1)C2 ZINC000309613566 343936747 /nfs/dbraw/zinc/93/67/47/343936747.db2.gz NFJFKRQXAJDZLV-VIFPVBQESA-N 2 2 234.328 1.444 10 0 BDAELP Cc1ccc(OCC[N@H+](C)CC[NH3+])cc1C ZINC000077334436 187280012 /nfs/dbraw/zinc/28/00/12/187280012.db2.gz MKFRFZQKZRABOF-UHFFFAOYSA-N 2 2 222.332 1.573 10 0 BDAELP Cc1ccc(OCC[N@@H+](C)CC[NH3+])cc1C ZINC000077334436 187280014 /nfs/dbraw/zinc/28/00/14/187280014.db2.gz MKFRFZQKZRABOF-UHFFFAOYSA-N 2 2 222.332 1.573 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCS[C@@H]2C)C1 ZINC000234463689 343971392 /nfs/dbraw/zinc/97/13/92/343971392.db2.gz ZYTKBFURDCHCKB-OPRDCNLKSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCS[C@@H]2C)C1 ZINC000234463689 343971393 /nfs/dbraw/zinc/97/13/93/343971393.db2.gz ZYTKBFURDCHCKB-OPRDCNLKSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H](C=C(C)C)[C@H]1CSCC[N@@H+]1C ZINC000234428342 343965846 /nfs/dbraw/zinc/96/58/46/343965846.db2.gz FTVLXXIBOGQCBL-WDEREUQCSA-N 2 2 214.378 1.588 10 0 BDAELP C[NH2+][C@@H](C=C(C)C)[C@H]1CSCC[N@H+]1C ZINC000234428342 343965848 /nfs/dbraw/zinc/96/58/48/343965848.db2.gz FTVLXXIBOGQCBL-WDEREUQCSA-N 2 2 214.378 1.588 10 0 BDAELP COc1ccc(CCn2c[nH+]c(CC[NH3+])c2)cc1 ZINC000094529522 187286745 /nfs/dbraw/zinc/28/67/45/187286745.db2.gz RFLLQHZITGCUGX-UHFFFAOYSA-N 2 2 245.326 1.636 10 0 BDAELP COC1CC([N@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000234604162 344155760 /nfs/dbraw/zinc/15/57/60/344155760.db2.gz PKKRVWAHGJFRBR-UHFFFAOYSA-N 2 2 234.343 1.625 10 0 BDAELP COC1CC([N@@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000234604162 344155763 /nfs/dbraw/zinc/15/57/63/344155763.db2.gz PKKRVWAHGJFRBR-UHFFFAOYSA-N 2 2 234.343 1.625 10 0 BDAELP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000104305814 187292302 /nfs/dbraw/zinc/29/23/02/187292302.db2.gz SZLUXKUCSLNACG-MELADBBJSA-N 2 2 238.375 1.629 10 0 BDAELP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000104305814 187292304 /nfs/dbraw/zinc/29/23/04/187292304.db2.gz SZLUXKUCSLNACG-MELADBBJSA-N 2 2 238.375 1.629 10 0 BDAELP CC(C)(C)Oc1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC000044472633 187293042 /nfs/dbraw/zinc/29/30/42/187293042.db2.gz NQQYIZSQLZTLCV-LLVKDONJSA-N 2 2 208.305 1.822 10 0 BDAELP Cc1ccc([C@H]([NH3+])C[NH3+])c(Br)c1 ZINC000044472394 345090215 /nfs/dbraw/zinc/09/02/15/345090215.db2.gz ZFCPVQHZXZPSHV-SECBINFHSA-N 2 2 229.121 1.716 10 0 BDAELP C([NH2+]C1CCCC1)[C@H]1CSCC[NH2+]1 ZINC000127079666 345155464 /nfs/dbraw/zinc/15/54/64/345155464.db2.gz QUEHZKOOTJLHNY-JTQLQIEISA-N 2 2 200.351 1.224 10 0 BDAELP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC000221224573 345863271 /nfs/dbraw/zinc/86/32/71/345863271.db2.gz JRNWPTBCYCKVRR-OLZOCXBDSA-N 2 2 202.301 1.480 10 0 BDAELP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC000221224573 345863275 /nfs/dbraw/zinc/86/32/75/345863275.db2.gz JRNWPTBCYCKVRR-OLZOCXBDSA-N 2 2 202.301 1.480 10 0 BDAELP Cc1cccc(C[C@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000052127820 179105392 /nfs/dbraw/zinc/10/53/92/179105392.db2.gz WBVGNLUVJCGPCG-LBPRGKRZSA-N 2 2 215.300 1.831 10 0 BDAELP Cc1cccc(NC[C@H](C)[N@@H+]2CCOC[C@H]2C)[nH+]1 ZINC000253369277 179149082 /nfs/dbraw/zinc/14/90/82/179149082.db2.gz AORQMIYKZJEEDU-QWHCGFSZSA-N 2 2 249.358 1.911 10 0 BDAELP Cc1cccc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)[nH+]1 ZINC000253369277 179149084 /nfs/dbraw/zinc/14/90/84/179149084.db2.gz AORQMIYKZJEEDU-QWHCGFSZSA-N 2 2 249.358 1.911 10 0 BDAELP [NH3+]C[C@@H]1CCCC[N@@H+]1[C@@H](CO)c1ccccc1 ZINC000039150822 347181296 /nfs/dbraw/zinc/18/12/96/347181296.db2.gz VRKHKCYJNHZJPT-KBPBESRZSA-N 2 2 234.343 1.533 10 0 BDAELP [NH3+]C[C@@H]1CCCC[N@H+]1[C@@H](CO)c1ccccc1 ZINC000039150822 347181300 /nfs/dbraw/zinc/18/13/00/347181300.db2.gz VRKHKCYJNHZJPT-KBPBESRZSA-N 2 2 234.343 1.533 10 0 BDAELP [NH3+]C[C@@H](n1cc[nH+]c1)C(F)(F)C(F)(F)F ZINC000616568665 347449967 /nfs/dbraw/zinc/44/99/67/347449967.db2.gz DKSOGNXLGMBKQO-RXMQYKEDSA-N 2 2 229.152 1.581 10 0 BDAELP Cc1ccccc1C[N@@H+](C)CCNCC[NH+](C)C ZINC000053440120 179270420 /nfs/dbraw/zinc/27/04/20/179270420.db2.gz IPDNTDDUZKKFNY-UHFFFAOYSA-N 2 2 249.402 1.578 10 0 BDAELP Cc1ccccc1C[N@H+](C)CCNCC[NH+](C)C ZINC000053440120 179270421 /nfs/dbraw/zinc/27/04/21/179270421.db2.gz IPDNTDDUZKKFNY-UHFFFAOYSA-N 2 2 249.402 1.578 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CC[C@H](O)C1 ZINC000061710042 179342810 /nfs/dbraw/zinc/34/28/10/179342810.db2.gz HICLEBBLRTUTQW-AAEUAGOBSA-N 2 2 220.316 1.061 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CC[C@H](O)C1 ZINC000061710042 179342812 /nfs/dbraw/zinc/34/28/12/179342812.db2.gz HICLEBBLRTUTQW-AAEUAGOBSA-N 2 2 220.316 1.061 10 0 BDAELP Cc1ccccc1[C@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000036946855 179343771 /nfs/dbraw/zinc/34/37/71/179343771.db2.gz XYKDDSFKKRQPNH-LLVKDONJSA-N 2 2 201.273 1.961 10 0 BDAELP Cc1cccnc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235618207 179375262 /nfs/dbraw/zinc/37/52/62/179375262.db2.gz XVZRLTPPYZDAFL-WCQYABFASA-N 2 2 233.359 1.949 10 0 BDAELP Cc1cccnc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000235618207 179375264 /nfs/dbraw/zinc/37/52/64/179375264.db2.gz XVZRLTPPYZDAFL-WCQYABFASA-N 2 2 233.359 1.949 10 0 BDAELP CCC(C)(C)[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669381981 538002500 /nfs/dbraw/zinc/00/25/00/538002500.db2.gz CSAWWFYYAYATDE-SNVBAGLBSA-N 2 2 236.306 1.124 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc(CO)c1 ZINC000616606477 350798256 /nfs/dbraw/zinc/79/82/56/350798256.db2.gz BHQCNZCOAFUPEU-CYBMUJFWSA-N 2 2 220.316 1.275 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc(CO)c1 ZINC000616606477 350798257 /nfs/dbraw/zinc/79/82/57/350798257.db2.gz BHQCNZCOAFUPEU-CYBMUJFWSA-N 2 2 220.316 1.275 10 0 BDAELP CC[NH+]1CCC(c2cccc(N)[nH+]2)CC1 ZINC000616619417 350927428 /nfs/dbraw/zinc/92/74/28/350927428.db2.gz MZABZTPIWQCQRG-UHFFFAOYSA-N 2 2 205.305 1.863 10 0 BDAELP CC(=O)Nc1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000616632166 351111000 /nfs/dbraw/zinc/11/10/00/351111000.db2.gz ISSRYTZDRBUAFC-CQSZACIVSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000616632166 351111003 /nfs/dbraw/zinc/11/10/03/351111003.db2.gz ISSRYTZDRBUAFC-CQSZACIVSA-N 2 2 247.342 1.741 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ncco2)C1 ZINC000616627411 351094583 /nfs/dbraw/zinc/09/45/83/351094583.db2.gz BJJBXMMUOJLZLF-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ncco2)C1 ZINC000616627411 351094584 /nfs/dbraw/zinc/09/45/84/351094584.db2.gz BJJBXMMUOJLZLF-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP CNc1ccc([C@H]2CCOCC[N@@H+]2CC[NH3+])cc1 ZINC000616656993 351197026 /nfs/dbraw/zinc/19/70/26/351197026.db2.gz GJZJEQDRQAKIDZ-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@H]2CCOCC[N@H+]2CC[NH3+])cc1 ZINC000616656993 351197030 /nfs/dbraw/zinc/19/70/30/351197030.db2.gz GJZJEQDRQAKIDZ-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccnc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630075860 363163217 /nfs/dbraw/zinc/16/32/17/363163217.db2.gz HEDHBBDIZJLOMA-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccnc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630075860 363163222 /nfs/dbraw/zinc/16/32/22/363163222.db2.gz HEDHBBDIZJLOMA-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP C[NH2+][C@@H](C)C[N@H+](CCOC)Cc1ccccc1 ZINC000307464006 352610473 /nfs/dbraw/zinc/61/04/73/352610473.db2.gz FYMONBHXWXZRGH-ZDUSSCGKSA-N 2 2 236.359 1.743 10 0 BDAELP C[NH2+][C@@H](C)C[N@@H+](CCOC)Cc1ccccc1 ZINC000307464006 352610477 /nfs/dbraw/zinc/61/04/77/352610477.db2.gz FYMONBHXWXZRGH-ZDUSSCGKSA-N 2 2 236.359 1.743 10 0 BDAELP CC[C@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@@H]1[NH3+] ZINC000398984926 353421045 /nfs/dbraw/zinc/42/10/45/353421045.db2.gz HPFXUYVBZSXGHM-AAEUAGOBSA-N 2 2 244.342 1.825 10 0 BDAELP CC[C@](C)(C[NH3+])[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000252448498 363255328 /nfs/dbraw/zinc/25/53/28/363255328.db2.gz XFRVCCYHDIGNSV-GMTAPVOTSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)(C[NH3+])[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000252448498 363255331 /nfs/dbraw/zinc/25/53/31/363255331.db2.gz XFRVCCYHDIGNSV-GMTAPVOTSA-N 2 2 200.326 1.223 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000308115324 354016067 /nfs/dbraw/zinc/01/60/67/354016067.db2.gz WZXQPJWYQRGATC-ZKXNXJMVSA-N 2 2 202.729 1.942 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000308115324 354016068 /nfs/dbraw/zinc/01/60/68/354016068.db2.gz WZXQPJWYQRGATC-ZKXNXJMVSA-N 2 2 202.729 1.942 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000389069139 355606532 /nfs/dbraw/zinc/60/65/32/355606532.db2.gz LWCMFWQSUDNILN-AGIUHOORSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)C1 ZINC000389069139 355606536 /nfs/dbraw/zinc/60/65/36/355606536.db2.gz LWCMFWQSUDNILN-AGIUHOORSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000389167032 355742353 /nfs/dbraw/zinc/74/23/53/355742353.db2.gz MUGCZAIIAOLZBE-LLVKDONJSA-N 2 2 222.336 1.210 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000389167032 355742355 /nfs/dbraw/zinc/74/23/55/355742355.db2.gz MUGCZAIIAOLZBE-LLVKDONJSA-N 2 2 222.336 1.210 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000191546544 355731974 /nfs/dbraw/zinc/73/19/74/355731974.db2.gz PNZNTRMFVUEUMC-LBPRGKRZSA-N 2 2 212.337 1.097 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@]2(CCOC2)C1 ZINC000191546544 355731976 /nfs/dbraw/zinc/73/19/76/355731976.db2.gz PNZNTRMFVUEUMC-LBPRGKRZSA-N 2 2 212.337 1.097 10 0 BDAELP CCc1cc(N[C@@H]2CC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000389215367 355884423 /nfs/dbraw/zinc/88/44/23/355884423.db2.gz CRJCVDWDSRBPEK-GFCCVEGCSA-N 2 2 234.347 1.854 10 0 BDAELP CCc1cc(N[C@@H]2CC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000389215367 355884426 /nfs/dbraw/zinc/88/44/26/355884426.db2.gz CRJCVDWDSRBPEK-GFCCVEGCSA-N 2 2 234.347 1.854 10 0 BDAELP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)c1 ZINC000384362862 356621817 /nfs/dbraw/zinc/62/18/17/356621817.db2.gz HZEFWPMLNOFESU-OAHLLOKOSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)c1 ZINC000384362862 356621821 /nfs/dbraw/zinc/62/18/21/356621821.db2.gz HZEFWPMLNOFESU-OAHLLOKOSA-N 2 2 248.370 1.541 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ccncc2Cl)C[NH2+]C1 ZINC000675077428 538513494 /nfs/dbraw/zinc/51/34/94/538513494.db2.gz FAFGBNPWMLJFLW-JTQLQIEISA-N 2 2 223.707 1.134 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccsc2Cl)C[NH2+]C1 ZINC000675077418 538513742 /nfs/dbraw/zinc/51/37/42/538513742.db2.gz DYFXETWSNPTFIF-SECBINFHSA-N 2 2 228.748 1.801 10 0 BDAELP [NH3+][C@H]1C=C(c2sccc2Cl)C[NH2+]C1 ZINC000675078015 538515140 /nfs/dbraw/zinc/51/51/40/538515140.db2.gz LXCWCCUZEIEBCV-ZETCQYMHSA-N 2 2 214.721 1.715 10 0 BDAELP [NH3+][C@H]1C=C(c2ccc(Cl)s2)C[NH2+]C1 ZINC000675079406 538517498 /nfs/dbraw/zinc/51/74/98/538517498.db2.gz YIRSLBFIUOSNRE-ZETCQYMHSA-N 2 2 214.721 1.715 10 0 BDAELP Cc1nc(C)c(C2=C[C@@H]([NH3+])C[NH2+]C2)s1 ZINC000675079333 538517792 /nfs/dbraw/zinc/51/77/92/538517792.db2.gz XSTNKWLTRFYOPG-SECBINFHSA-N 2 2 209.318 1.074 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389531879 356970656 /nfs/dbraw/zinc/97/06/56/356970656.db2.gz IOUUZYDMMJCZQR-RNJOBUHISA-N 2 2 226.364 1.626 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000389531879 356970659 /nfs/dbraw/zinc/97/06/59/356970659.db2.gz IOUUZYDMMJCZQR-RNJOBUHISA-N 2 2 226.364 1.626 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)OC)C1 ZINC000389537772 356982114 /nfs/dbraw/zinc/98/21/14/356982114.db2.gz JODBXVXWTFLSPK-VWYCJHECSA-N 2 2 200.326 1.094 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)OC)C1 ZINC000389537772 356982118 /nfs/dbraw/zinc/98/21/18/356982118.db2.gz JODBXVXWTFLSPK-VWYCJHECSA-N 2 2 200.326 1.094 10 0 BDAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCC[NH2+]2)CS1 ZINC000300055020 357180854 /nfs/dbraw/zinc/18/08/54/357180854.db2.gz GNZSMTUOYDKYAH-GMTAPVOTSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC[NH2+]2)CS1 ZINC000300055020 357180859 /nfs/dbraw/zinc/18/08/59/357180859.db2.gz GNZSMTUOYDKYAH-GMTAPVOTSA-N 2 2 214.378 1.564 10 0 BDAELP C[N@H+](C1CCCCC1)[C@H]1CC[NH2+]C[C@H]1F ZINC000685948372 538890279 /nfs/dbraw/zinc/89/02/79/538890279.db2.gz KZEKDVNQUXCRPN-NEPJUHHUSA-N 2 2 214.328 1.951 10 0 BDAELP C[N@@H+](C1CCCCC1)[C@H]1CC[NH2+]C[C@H]1F ZINC000685948372 538890281 /nfs/dbraw/zinc/89/02/81/538890281.db2.gz KZEKDVNQUXCRPN-NEPJUHHUSA-N 2 2 214.328 1.951 10 0 BDAELP CC[C@H]1CC[C@@H](CC[NH+]2CCOCC2)[NH2+]C1 ZINC000584607089 358267172 /nfs/dbraw/zinc/26/71/72/358267172.db2.gz AKXHKHXAAZWFKF-STQMWFEESA-N 2 2 226.364 1.487 10 0 BDAELP CC[C@@H]1CC[C@H](CC[NH+]2CCOCC2)[NH2+]C1 ZINC000584607086 358267409 /nfs/dbraw/zinc/26/74/09/358267409.db2.gz AKXHKHXAAZWFKF-CHWSQXEVSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000132946467 358740440 /nfs/dbraw/zinc/74/04/40/358740440.db2.gz YOWCJGXHTLYWGU-NEPJUHHUSA-N 2 2 212.337 1.238 10 0 BDAELP CC(C)[NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000132946467 358740443 /nfs/dbraw/zinc/74/04/43/358740443.db2.gz YOWCJGXHTLYWGU-NEPJUHHUSA-N 2 2 212.337 1.238 10 0 BDAELP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H]1CCCO ZINC000052762718 358793617 /nfs/dbraw/zinc/79/36/17/358793617.db2.gz MODHDUUIMOEIIZ-LBPRGKRZSA-N 2 2 228.380 1.611 10 0 BDAELP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H]1CCCO ZINC000052762718 358793621 /nfs/dbraw/zinc/79/36/21/358793621.db2.gz MODHDUUIMOEIIZ-LBPRGKRZSA-N 2 2 228.380 1.611 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000246747050 359161499 /nfs/dbraw/zinc/16/14/99/359161499.db2.gz HNZMBZMJZLAVPZ-FRRDWIJNSA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000246747050 359161502 /nfs/dbraw/zinc/16/15/02/359161502.db2.gz HNZMBZMJZLAVPZ-FRRDWIJNSA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000246747050 359161505 /nfs/dbraw/zinc/16/15/05/359161505.db2.gz HNZMBZMJZLAVPZ-FRRDWIJNSA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000246747050 359161508 /nfs/dbraw/zinc/16/15/08/359161508.db2.gz HNZMBZMJZLAVPZ-FRRDWIJNSA-N 2 2 226.364 1.580 10 0 BDAELP CC(C)C[C@H](C[NH2+]C1CCC([NH3+])CC1)[NH+](C)C ZINC000094075596 360295790 /nfs/dbraw/zinc/29/57/90/360295790.db2.gz WSNQVSNIYLRJMT-JXQTWKCFSA-N 3 2 241.423 1.822 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000309445686 491148388 /nfs/dbraw/zinc/14/83/88/491148388.db2.gz JRSXBEYYCYKATH-YPMHNXCESA-N 2 2 219.332 1.511 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccncc2)C1 ZINC000309445686 491148389 /nfs/dbraw/zinc/14/83/89/491148389.db2.gz JRSXBEYYCYKATH-YPMHNXCESA-N 2 2 219.332 1.511 10 0 BDAELP C[C@H]1CSCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC000069760979 360409473 /nfs/dbraw/zinc/40/94/73/360409473.db2.gz RUYPIHXIHKVZLY-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@H]1CSCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC000069760979 360409475 /nfs/dbraw/zinc/40/94/75/360409475.db2.gz RUYPIHXIHKVZLY-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@H](C)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910058 361016850 /nfs/dbraw/zinc/01/68/50/361016850.db2.gz WKPVACLGJXLSQV-BBBLOLIVSA-N 2 2 202.367 1.420 10 0 BDAELP C[NH2+][C@H](C)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069910058 361016853 /nfs/dbraw/zinc/01/68/53/361016853.db2.gz WKPVACLGJXLSQV-BBBLOLIVSA-N 2 2 202.367 1.420 10 0 BDAELP [NH3+]C1(C[NH2+]C2COC2)C2CC3CC(C2)CC1C3 ZINC000335069991 181330995 /nfs/dbraw/zinc/33/09/95/181330995.db2.gz ORECAYDIEJQWJS-UHFFFAOYSA-N 2 2 236.359 1.128 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccc(C)nc2)[C@](C)(C[NH3+])C1 ZINC000630366328 364086373 /nfs/dbraw/zinc/08/63/73/364086373.db2.gz KCXWXQYJUCFVCG-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccc(C)nc2)[C@](C)(C[NH3+])C1 ZINC000630366328 364086375 /nfs/dbraw/zinc/08/63/75/364086375.db2.gz KCXWXQYJUCFVCG-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP Cc1cc(N[C@H]2CC[C@@H](C)[NH2+]C2)nc[nH+]1 ZINC000630533801 364225730 /nfs/dbraw/zinc/22/57/30/364225730.db2.gz RMQADUKMCFGPEL-SCZZXKLOSA-N 2 2 206.293 1.337 10 0 BDAELP C[NH+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675144 364487426 /nfs/dbraw/zinc/48/74/26/364487426.db2.gz LAWBXEWQWCVIFC-NSHDSACASA-N 2 2 236.315 1.409 10 0 BDAELP CC[N@@H+]1CC[C@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000575816871 365373546 /nfs/dbraw/zinc/37/35/46/365373546.db2.gz YNHARFUDZGICDH-NSHDSACASA-N 2 2 222.336 1.210 10 0 BDAELP CC[N@H+]1CC[C@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000575816871 365373548 /nfs/dbraw/zinc/37/35/48/365373548.db2.gz YNHARFUDZGICDH-NSHDSACASA-N 2 2 222.336 1.210 10 0 BDAELP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H]1CO ZINC000382066852 367482789 /nfs/dbraw/zinc/48/27/89/367482789.db2.gz DVSPYOYSTDITPK-QWHCGFSZSA-N 2 2 220.316 1.293 10 0 BDAELP CCn1ccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000383680166 367648941 /nfs/dbraw/zinc/64/89/41/367648941.db2.gz ONZNRUFCONTDNJ-TUAOUCFPSA-N 2 2 234.347 1.072 10 0 BDAELP CCn1ccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000383680166 367648947 /nfs/dbraw/zinc/64/89/47/367648947.db2.gz ONZNRUFCONTDNJ-TUAOUCFPSA-N 2 2 234.347 1.072 10 0 BDAELP N#Cc1ccccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000034553161 368324146 /nfs/dbraw/zinc/32/41/46/368324146.db2.gz UVMIUADIUQEEKQ-UHFFFAOYSA-N 2 2 244.342 1.029 10 0 BDAELP Nc1[nH+]cccc1OCCOc1ccc[nH+]c1N ZINC000032106425 368374992 /nfs/dbraw/zinc/37/49/92/368374992.db2.gz WIQLIGYERKCLSH-UHFFFAOYSA-N 2 2 246.270 1.099 10 0 BDAELP C[C@@H]1CCS[C@@]2(CC[NH2+]C[C@H]2C)[NH2+]1 ZINC000253303437 368922995 /nfs/dbraw/zinc/92/29/95/368922995.db2.gz RQEGCTUXWWQDLD-OPRDCNLKSA-N 2 2 200.351 1.427 10 0 BDAELP Nc1cccc([C@@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616614350 369103133 /nfs/dbraw/zinc/10/31/33/369103133.db2.gz KEADXHLGCYXEBU-LLVKDONJSA-N 2 2 205.305 1.017 10 0 BDAELP Nc1cccc([C@@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616614350 369103138 /nfs/dbraw/zinc/10/31/38/369103138.db2.gz KEADXHLGCYXEBU-LLVKDONJSA-N 2 2 205.305 1.017 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cncc3ccccc32)C1 ZINC000616612258 369102048 /nfs/dbraw/zinc/10/20/48/369102048.db2.gz PBLMHXLAXOPECA-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cncc3ccccc32)C1 ZINC000616612258 369102054 /nfs/dbraw/zinc/10/20/54/369102054.db2.gz PBLMHXLAXOPECA-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP OCC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000108057253 369372933 /nfs/dbraw/zinc/37/29/33/369372933.db2.gz BPQBFYJPBDGSLS-CQSZACIVSA-N 2 2 234.343 1.233 10 0 BDAELP OCC[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000108057253 369372936 /nfs/dbraw/zinc/37/29/36/369372936.db2.gz BPQBFYJPBDGSLS-CQSZACIVSA-N 2 2 234.343 1.233 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000230068332 371646546 /nfs/dbraw/zinc/64/65/46/371646546.db2.gz FRRWEEKCNJSTFN-DGCLKSJQSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000230068332 371646550 /nfs/dbraw/zinc/64/65/50/371646550.db2.gz FRRWEEKCNJSTFN-DGCLKSJQSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1C[NH2+]C[C@@]2(C1)[NH2+]C(C)(C)CS2 ZINC000401697739 371800957 /nfs/dbraw/zinc/80/09/57/371800957.db2.gz MAWRYOGPOBWTBI-WPRPVWTQSA-N 2 2 200.351 1.427 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@H]([NH3+])C[C@@H]1C ZINC000631860782 372660549 /nfs/dbraw/zinc/66/05/49/372660549.db2.gz OYMAQGCXUPCANP-WDEREUQCSA-N 2 2 222.336 1.386 10 0 BDAELP CC(C)c1noc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842107 372640617 /nfs/dbraw/zinc/64/06/17/372640617.db2.gz VMXYRHQEODCUOG-ZJUUUORDSA-N 2 2 238.335 1.220 10 0 BDAELP CC(C)c1noc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842107 372640620 /nfs/dbraw/zinc/64/06/20/372640620.db2.gz VMXYRHQEODCUOG-ZJUUUORDSA-N 2 2 238.335 1.220 10 0 BDAELP [NH3+][C@@H]1CCCC[C@H]1[NH+]1CCSCC1 ZINC000040989028 373977614 /nfs/dbraw/zinc/97/76/14/373977614.db2.gz XKYOTIQTLDCPEJ-NXEZZACHSA-N 2 2 200.351 1.305 10 0 BDAELP OCCC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671289 183058418 /nfs/dbraw/zinc/05/84/18/183058418.db2.gz HGAJKVCISLCKGS-OAHLLOKOSA-N 2 2 248.370 1.275 10 0 BDAELP OCCC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671289 183058421 /nfs/dbraw/zinc/05/84/21/183058421.db2.gz HGAJKVCISLCKGS-OAHLLOKOSA-N 2 2 248.370 1.275 10 0 BDAELP CCC[N@H+](CCC(N)=O)C(CC)(CC)C[NH3+] ZINC000050092616 169139435 /nfs/dbraw/zinc/13/94/35/169139435.db2.gz IRVYWTOMFXEWIT-UHFFFAOYSA-N 2 2 229.368 1.091 10 0 BDAELP CCC[N@@H+](CCC(N)=O)C(CC)(CC)C[NH3+] ZINC000050092616 169139437 /nfs/dbraw/zinc/13/94/37/169139437.db2.gz IRVYWTOMFXEWIT-UHFFFAOYSA-N 2 2 229.368 1.091 10 0 BDAELP Oc1cccc2c1CC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000041119504 183295847 /nfs/dbraw/zinc/29/58/47/183295847.db2.gz CKIRGFUJQSPJJR-CYBMUJFWSA-N 2 2 243.310 1.866 10 0 BDAELP CCC[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000036319888 169291535 /nfs/dbraw/zinc/29/15/35/169291535.db2.gz YAGMOANCAOEEST-NSHDSACASA-N 2 2 212.337 1.239 10 0 BDAELP CCC[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000036319888 169291537 /nfs/dbraw/zinc/29/15/37/169291537.db2.gz YAGMOANCAOEEST-NSHDSACASA-N 2 2 212.337 1.239 10 0 BDAELP COC1CC([NH2+][C@H](CC(C)C)C[NH+](C)C)C1 ZINC000221106217 134317077 /nfs/dbraw/zinc/31/70/77/134317077.db2.gz FBODDRILYMIFKM-OTTFEQOBSA-N 2 2 228.380 1.730 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(Br)s1 ZINC000050269917 383991633 /nfs/dbraw/zinc/99/16/33/383991633.db2.gz AWXBYWAJCSEWEP-RXMQYKEDSA-N 2 2 235.150 1.730 10 0 BDAELP CN(CCOCC[NH3+])c1[nH+]ccc2ccccc21 ZINC000302290224 384132329 /nfs/dbraw/zinc/13/23/29/384132329.db2.gz CSNIMGHKXWSMRT-UHFFFAOYSA-N 2 2 245.326 1.646 10 0 BDAELP Cc1c(C[NH2+]CCCn2cc[nH+]c2)cnn1C ZINC000093649389 384256763 /nfs/dbraw/zinc/25/67/63/384256763.db2.gz GSHNMGZYGCIIFF-UHFFFAOYSA-N 2 2 233.319 1.105 10 0 BDAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000095072314 384343846 /nfs/dbraw/zinc/34/38/46/384343846.db2.gz MKYXLVKALSNTEO-ZJUUUORDSA-N 2 2 240.738 1.490 10 0 BDAELP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068373 384330589 /nfs/dbraw/zinc/33/05/89/384330589.db2.gz OPGHEEIQYQIDLS-GHMZBOCLSA-N 2 2 220.320 1.127 10 0 BDAELP CN(C)c1ccc(N[C@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000097053985 384491963 /nfs/dbraw/zinc/49/19/63/384491963.db2.gz WEEPSNPAXFSEPX-NSHDSACASA-N 2 2 234.347 1.702 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000309965424 384744363 /nfs/dbraw/zinc/74/43/63/384744363.db2.gz NFZKDXGVRUEQBF-ZDEQEGDKSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000309965424 384744367 /nfs/dbraw/zinc/74/43/67/384744367.db2.gz NFZKDXGVRUEQBF-ZDEQEGDKSA-N 2 2 226.364 1.341 10 0 BDAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccncc1 ZINC000335644669 384802428 /nfs/dbraw/zinc/80/24/28/384802428.db2.gz WUJCIZDTKAMEHS-ZYHUDNBSSA-N 2 2 205.305 1.312 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000072201279 384814930 /nfs/dbraw/zinc/81/49/30/384814930.db2.gz KPYUVYCUMYLLIX-MRVPVSSYSA-N 2 2 233.084 1.547 10 0 BDAELP c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000084238092 384852870 /nfs/dbraw/zinc/85/28/70/384852870.db2.gz IKSVZAZIOXSKBR-OLZOCXBDSA-N 2 2 202.301 1.480 10 0 BDAELP c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000084238092 384852877 /nfs/dbraw/zinc/85/28/77/384852877.db2.gz IKSVZAZIOXSKBR-OLZOCXBDSA-N 2 2 202.301 1.480 10 0 BDAELP CCSCC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000308600517 384860327 /nfs/dbraw/zinc/86/03/27/384860327.db2.gz OEMSVOCKSKKXMF-LLVKDONJSA-N 2 2 216.394 1.813 10 0 BDAELP CCSCC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000308600517 384860332 /nfs/dbraw/zinc/86/03/32/384860332.db2.gz OEMSVOCKSKKXMF-LLVKDONJSA-N 2 2 216.394 1.813 10 0 BDAELP [NH3+]CCc1c[nH+]c2ccc(Br)cn12 ZINC000033507404 385241416 /nfs/dbraw/zinc/24/14/16/385241416.db2.gz SKQPYGWMCWVVGC-UHFFFAOYSA-N 2 2 240.104 1.598 10 0 BDAELP C[C@@H]([NH3+])c1cccc(C[NH+]2CCOCC2)c1 ZINC000075845052 385691648 /nfs/dbraw/zinc/69/16/48/385691648.db2.gz AWJOEFPHBLIHQW-LLVKDONJSA-N 2 2 220.316 1.539 10 0 BDAELP CCSCC[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000309644628 385767595 /nfs/dbraw/zinc/76/75/95/385767595.db2.gz LWKWHQLHKBEWMI-LLVKDONJSA-N 2 2 239.388 1.849 10 0 BDAELP CC(C)c1nc(N2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000212411951 385721482 /nfs/dbraw/zinc/72/14/82/385721482.db2.gz FBDHHSBKPUZPFM-JTQLQIEISA-N 2 2 220.320 1.528 10 0 BDAELP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000336752094 386012604 /nfs/dbraw/zinc/01/26/04/386012604.db2.gz FUMAWWCNPJZQSH-GMTAPVOTSA-N 2 2 214.353 1.197 10 0 BDAELP [NH3+][C@H]1CCC[N@H+](CC2SCCS2)C1 ZINC000575469991 387110112 /nfs/dbraw/zinc/11/01/12/387110112.db2.gz LOMALYCXGQNTLE-QMMMGPOBSA-N 2 2 218.391 1.216 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+](CC2SCCS2)C1 ZINC000575469991 387110121 /nfs/dbraw/zinc/11/01/21/387110121.db2.gz LOMALYCXGQNTLE-QMMMGPOBSA-N 2 2 218.391 1.216 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000389485968 387515358 /nfs/dbraw/zinc/51/53/58/387515358.db2.gz YMDOCQKMWJJFTE-KBPBESRZSA-N 2 2 240.391 1.611 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000389485968 387515363 /nfs/dbraw/zinc/51/53/63/387515363.db2.gz YMDOCQKMWJJFTE-KBPBESRZSA-N 2 2 240.391 1.611 10 0 BDAELP Fc1cccc(F)c1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000422698190 387613593 /nfs/dbraw/zinc/61/35/93/387613593.db2.gz XYKWDFMDBNXVCV-SECBINFHSA-N 2 2 226.270 1.459 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc[nH+]c1 ZINC000245590364 387963294 /nfs/dbraw/zinc/96/32/94/387963294.db2.gz GAJWMAFGAXZBOK-STQMWFEESA-N 2 2 234.347 1.052 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCn1cc[nH+]c1 ZINC000245590364 387963299 /nfs/dbraw/zinc/96/32/99/387963299.db2.gz GAJWMAFGAXZBOK-STQMWFEESA-N 2 2 234.347 1.052 10 0 BDAELP c1cn(CCC[N@@H+]2CCO[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000245894841 387990835 /nfs/dbraw/zinc/99/08/35/387990835.db2.gz QWCFHZPSLGMZAS-KGLIPLIRSA-N 2 2 249.358 1.917 10 0 BDAELP c1cn(CCC[N@H+]2CCO[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000245894841 387990837 /nfs/dbraw/zinc/99/08/37/387990837.db2.gz QWCFHZPSLGMZAS-KGLIPLIRSA-N 2 2 249.358 1.917 10 0 BDAELP c1cn(CCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245894843 387991350 /nfs/dbraw/zinc/99/13/50/387991350.db2.gz QWCFHZPSLGMZAS-ZIAGYGMSSA-N 2 2 249.358 1.917 10 0 BDAELP c1cn(CCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245894843 387991353 /nfs/dbraw/zinc/99/13/53/387991353.db2.gz QWCFHZPSLGMZAS-ZIAGYGMSSA-N 2 2 249.358 1.917 10 0 BDAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324628840 388122325 /nfs/dbraw/zinc/12/23/25/388122325.db2.gz SFCWPFONDBHEBA-MNOVXSKESA-N 2 2 214.353 1.077 10 0 BDAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324628840 388122327 /nfs/dbraw/zinc/12/23/27/388122327.db2.gz SFCWPFONDBHEBA-MNOVXSKESA-N 2 2 214.353 1.077 10 0 BDAELP Cc1oncc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000128639072 388777486 /nfs/dbraw/zinc/77/74/86/388777486.db2.gz ZZRPLUMRNZWJQG-NSHDSACASA-N 2 2 223.320 1.367 10 0 BDAELP Cc1oncc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000128639072 388777490 /nfs/dbraw/zinc/77/74/90/388777490.db2.gz ZZRPLUMRNZWJQG-NSHDSACASA-N 2 2 223.320 1.367 10 0 BDAELP Cc1nc(N2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC000045950760 132299407 /nfs/dbraw/zinc/29/94/07/132299407.db2.gz ZLZKRURUIWOYCF-UHFFFAOYSA-N 2 2 220.320 1.318 10 0 BDAELP CCc1nc(N2CC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC000045950792 132299083 /nfs/dbraw/zinc/29/90/83/132299083.db2.gz TZAYAIVMEGYQKK-UHFFFAOYSA-N 2 2 220.320 1.065 10 0 BDAELP C[NH+]1CCN(c2nc(N)cc(C(C)(C)C)[nH+]2)CC1 ZINC000040431022 132347635 /nfs/dbraw/zinc/34/76/35/132347635.db2.gz HSRNCGXLIVAXQJ-UHFFFAOYSA-N 2 2 249.362 1.108 10 0 BDAELP C[C@@H]([NH3+])c1ccccc1N1CCn2cc[nH+]c2C1 ZINC000062252877 132387635 /nfs/dbraw/zinc/38/76/35/132387635.db2.gz LFKRCCVTSHAUHR-LLVKDONJSA-N 2 2 242.326 1.923 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000336036564 134059984 /nfs/dbraw/zinc/05/99/84/134059984.db2.gz SJOHRRYORCZSED-AWEZNQCLSA-N 2 2 248.374 1.649 10 0 BDAELP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000336056437 134066534 /nfs/dbraw/zinc/06/65/34/134066534.db2.gz YXELESUGWJBFSM-ZDUSSCGKSA-N 2 2 244.342 1.876 10 0 BDAELP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000336056437 134066535 /nfs/dbraw/zinc/06/65/35/134066535.db2.gz YXELESUGWJBFSM-ZDUSSCGKSA-N 2 2 244.342 1.876 10 0 BDAELP c1[nH]cc(CN2CCC[N@@H+](C3CC3)CC2)[nH+]1 ZINC000179730234 134320172 /nfs/dbraw/zinc/32/01/72/134320172.db2.gz LDDAEFAQIIEHCW-UHFFFAOYSA-N 2 2 220.320 1.080 10 0 BDAELP c1[nH]cc(CN2CCC[N@H+](C3CC3)CC2)[nH+]1 ZINC000179730234 134320173 /nfs/dbraw/zinc/32/01/73/134320173.db2.gz LDDAEFAQIIEHCW-UHFFFAOYSA-N 2 2 220.320 1.080 10 0 BDAELP c1[nH]c(CN2CCC[N@@H+](C3CC3)CC2)c[nH+]1 ZINC000179730234 134320174 /nfs/dbraw/zinc/32/01/74/134320174.db2.gz LDDAEFAQIIEHCW-UHFFFAOYSA-N 2 2 220.320 1.080 10 0 BDAELP c1[nH]c(CN2CCC[N@H+](C3CC3)CC2)c[nH+]1 ZINC000179730234 134320175 /nfs/dbraw/zinc/32/01/75/134320175.db2.gz LDDAEFAQIIEHCW-UHFFFAOYSA-N 2 2 220.320 1.080 10 0 BDAELP Cc1cc(N(C)CC[C@H]([NH3+])C(C)C)nc[nH+]1 ZINC000227739426 134385744 /nfs/dbraw/zinc/38/57/44/134385744.db2.gz KRLUTCORIOFILQ-NSHDSACASA-N 2 2 222.336 1.595 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)COC)C1 ZINC000249764225 135044619 /nfs/dbraw/zinc/04/46/19/135044619.db2.gz YINJXRTWRNMNGA-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)COC)C1 ZINC000249764225 135044621 /nfs/dbraw/zinc/04/46/21/135044621.db2.gz YINJXRTWRNMNGA-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H]1C ZINC000252689328 135096552 /nfs/dbraw/zinc/09/65/52/135096552.db2.gz QWDXHNGZDJWCBY-AAXDQBDMSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCO[C@@H]1C ZINC000252689328 135096554 /nfs/dbraw/zinc/09/65/54/135096554.db2.gz QWDXHNGZDJWCBY-AAXDQBDMSA-N 2 2 224.348 1.236 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252688978 135096680 /nfs/dbraw/zinc/09/66/80/135096680.db2.gz PVVIKSGTNLOUMM-SRVKXCTJSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000252688978 135096681 /nfs/dbraw/zinc/09/66/81/135096681.db2.gz PVVIKSGTNLOUMM-SRVKXCTJSA-N 2 2 212.337 1.238 10 0 BDAELP CC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000252729721 135104083 /nfs/dbraw/zinc/10/40/83/135104083.db2.gz HZOVGOKQYSCHJE-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000252729721 135104084 /nfs/dbraw/zinc/10/40/84/135104084.db2.gz HZOVGOKQYSCHJE-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP Cc1cccnc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261544408 135185125 /nfs/dbraw/zinc/18/51/25/135185125.db2.gz XVZRLTPPYZDAFL-AAEUAGOBSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1cccnc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261544408 135185126 /nfs/dbraw/zinc/18/51/26/135185126.db2.gz XVZRLTPPYZDAFL-AAEUAGOBSA-N 2 2 233.359 1.949 10 0 BDAELP CCC1(C[NH2+]CC[NH2+]CCOC)CCOCC1 ZINC000261556464 135196797 /nfs/dbraw/zinc/19/67/97/135196797.db2.gz QTBJDXXMMOYFND-UHFFFAOYSA-N 2 2 244.379 1.019 10 0 BDAELP C[C@H](c1cnn(C)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000261571254 135213010 /nfs/dbraw/zinc/21/30/10/135213010.db2.gz HJMALQHOQYOTSJ-SECBINFHSA-N 2 2 210.325 1.150 10 0 BDAELP C[C@H](c1cnn(C)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261571254 135213012 /nfs/dbraw/zinc/21/30/12/135213012.db2.gz HJMALQHOQYOTSJ-SECBINFHSA-N 2 2 210.325 1.150 10 0 BDAELP Cc1nc(N2CC[C@H]([NH3+])C(C)(C)C2)cc[nH+]1 ZINC000261575049 135216467 /nfs/dbraw/zinc/21/64/67/135216467.db2.gz JODMKHXDFOJBOT-JTQLQIEISA-N 2 2 220.320 1.349 10 0 BDAELP Cc1ccn2c(CN3C[C@H](C)[C@H]([NH3+])C3)c[nH+]c2c1 ZINC000261950970 135266322 /nfs/dbraw/zinc/26/63/22/135266322.db2.gz FZXPIXNHCALGMC-WCQYABFASA-N 2 2 244.342 1.422 10 0 BDAELP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000665236894 410727304 /nfs/dbraw/zinc/72/73/04/410727304.db2.gz WBQYVYXZFLNGLP-WXRRBKDZSA-N 3 2 239.407 1.719 10 0 BDAELP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000665236894 410727308 /nfs/dbraw/zinc/72/73/08/410727308.db2.gz WBQYVYXZFLNGLP-WXRRBKDZSA-N 3 2 239.407 1.719 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](CO)C1CCCC1 ZINC000395336295 410847362 /nfs/dbraw/zinc/84/73/62/410847362.db2.gz VEIUAKTZRSQCRF-QWHCGFSZSA-N 2 2 226.364 1.221 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H](CO)C1CCCC1 ZINC000395336295 410847368 /nfs/dbraw/zinc/84/73/68/410847368.db2.gz VEIUAKTZRSQCRF-QWHCGFSZSA-N 2 2 226.364 1.221 10 0 BDAELP CC(C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860298 167035010 /nfs/dbraw/zinc/03/50/10/167035010.db2.gz XBCGRLQOHFIJFO-ZDUSSCGKSA-N 2 2 204.317 1.780 10 0 BDAELP CC(C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860298 167035014 /nfs/dbraw/zinc/03/50/14/167035014.db2.gz XBCGRLQOHFIJFO-ZDUSSCGKSA-N 2 2 204.317 1.780 10 0 BDAELP CC(C)OCC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000049261224 167234189 /nfs/dbraw/zinc/23/41/89/167234189.db2.gz ANWZFXGZJJLOPG-QWRGUYRKSA-N 2 2 200.326 1.223 10 0 BDAELP CC(C)OCC[N@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC000049261224 167234191 /nfs/dbraw/zinc/23/41/91/167234191.db2.gz ANWZFXGZJJLOPG-QWRGUYRKSA-N 2 2 200.326 1.223 10 0 BDAELP COc1ccc[nH+]c1N(C)CC[C@@H]([NH3+])C(C)C ZINC000128509319 411101682 /nfs/dbraw/zinc/10/16/82/411101682.db2.gz AJXOIDBFPKCDLL-LLVKDONJSA-N 2 2 237.347 1.900 10 0 BDAELP Cc1cc(NC(=O)C[C@@H]([NH3+])C(C)C)cc[nH+]1 ZINC000129127338 411231500 /nfs/dbraw/zinc/23/15/00/411231500.db2.gz UWGOSYZEYINUCQ-LLVKDONJSA-N 2 2 221.304 1.702 10 0 BDAELP CN(CC(C)(C)[NH3+])c1[nH+]c2ccccc2n1C ZINC000656608969 411307543 /nfs/dbraw/zinc/30/75/43/411307543.db2.gz QMFHQFPMEWNQQK-UHFFFAOYSA-N 2 2 232.331 1.747 10 0 BDAELP C[C@@H]1C[C@@H](O)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000401832480 411347489 /nfs/dbraw/zinc/34/74/89/411347489.db2.gz MUTSUCITRGHWPL-DGCLKSJQSA-N 2 2 237.347 1.055 10 0 BDAELP C[C@@H]1C[C@@H](O)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000401832480 411347493 /nfs/dbraw/zinc/34/74/93/411347493.db2.gz MUTSUCITRGHWPL-DGCLKSJQSA-N 2 2 237.347 1.055 10 0 BDAELP CC1([NH2+]C[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000045047247 168062409 /nfs/dbraw/zinc/06/24/09/168062409.db2.gz PCQZHUVKAQLNLX-LLVKDONJSA-N 2 2 212.337 1.287 10 0 BDAELP CCC(C)(C)[NH2+]CCN(C)Cc1[nH+]ccn1C ZINC000062327403 168298020 /nfs/dbraw/zinc/29/80/20/168298020.db2.gz FGGHITWBKFYHBE-UHFFFAOYSA-N 2 2 238.379 1.630 10 0 BDAELP CC[C@H]1CN(c2cc(C)[nH+]cn2)CC[C@@H]1[NH3+] ZINC000122951348 411436580 /nfs/dbraw/zinc/43/65/80/411436580.db2.gz RKTUSLJEHNPDHE-QWRGUYRKSA-N 2 2 220.320 1.349 10 0 BDAELP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2CO)n1C ZINC000657369899 411483539 /nfs/dbraw/zinc/48/35/39/411483539.db2.gz IPCYSOTURYEMKN-AAEUAGOBSA-N 2 2 237.347 1.369 10 0 BDAELP O[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657327142 411465997 /nfs/dbraw/zinc/46/59/97/411465997.db2.gz UUIYHQGQBVTJPK-JQWIXIFHSA-N 2 2 235.331 1.222 10 0 BDAELP CC[N@@H+]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000054935893 170016180 /nfs/dbraw/zinc/01/61/80/170016180.db2.gz NALMKAFYXFQFLF-LLVKDONJSA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@H+]1CC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000054935893 170016181 /nfs/dbraw/zinc/01/61/81/170016181.db2.gz NALMKAFYXFQFLF-LLVKDONJSA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(C)n2)C1 ZINC000054790672 170017331 /nfs/dbraw/zinc/01/73/31/170017331.db2.gz JLFLODOZEAHLFF-GFCCVEGCSA-N 2 2 234.347 1.216 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(C)n2)C1 ZINC000054790672 170017334 /nfs/dbraw/zinc/01/73/34/170017334.db2.gz JLFLODOZEAHLFF-GFCCVEGCSA-N 2 2 234.347 1.216 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000328530503 170022604 /nfs/dbraw/zinc/02/26/04/170022604.db2.gz XEQBOOSXCLDOMK-SRVKXCTJSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000328530503 170022605 /nfs/dbraw/zinc/02/26/05/170022605.db2.gz XEQBOOSXCLDOMK-SRVKXCTJSA-N 2 2 212.337 1.095 10 0 BDAELP CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000328277856 170022939 /nfs/dbraw/zinc/02/29/39/170022939.db2.gz RDAVQLVGTWHWMT-AVGNSLFASA-N 2 2 225.380 1.153 10 0 BDAELP CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000328277856 170022940 /nfs/dbraw/zinc/02/29/40/170022940.db2.gz RDAVQLVGTWHWMT-AVGNSLFASA-N 2 2 225.380 1.153 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000336760139 170034534 /nfs/dbraw/zinc/03/45/34/170034534.db2.gz LMWXYLYVYIWLNU-QWRGUYRKSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000336760139 170034536 /nfs/dbraw/zinc/03/45/36/170034536.db2.gz LMWXYLYVYIWLNU-QWRGUYRKSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCSC2)[C@@H](C)C1 ZINC000336761635 170035788 /nfs/dbraw/zinc/03/57/88/170035788.db2.gz MWAUFLFAXRKJJG-SRVKXCTJSA-N 2 2 228.405 1.669 10 0 BDAELP CC[NH2+]C(C)(C)C[N@H+](C)CCc1ccccn1 ZINC000061299641 170107414 /nfs/dbraw/zinc/10/74/14/170107414.db2.gz ADTLURWTXCKHKJ-UHFFFAOYSA-N 2 2 235.375 1.944 10 0 BDAELP CC[NH2+]C(C)(C)C[N@@H+](C)CCc1ccccn1 ZINC000061299641 170107415 /nfs/dbraw/zinc/10/74/15/170107415.db2.gz ADTLURWTXCKHKJ-UHFFFAOYSA-N 2 2 235.375 1.944 10 0 BDAELP CC[NH2+]C1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000062053633 170108922 /nfs/dbraw/zinc/10/89/22/170108922.db2.gz YCFUAKSSIBCCTR-UHFFFAOYSA-N 2 2 233.359 1.964 10 0 BDAELP CC[NH2+]CC(CC)(CC)C[NH+]1CCN(C)CC1 ZINC000051209155 170110990 /nfs/dbraw/zinc/11/09/90/170110990.db2.gz DIUPOAPHEMMKJW-UHFFFAOYSA-N 2 2 241.423 1.650 10 0 BDAELP CC[NH2+]C[C@H](C(C)C)N1CCn2cc[nH+]c2C1 ZINC000062325629 170121337 /nfs/dbraw/zinc/12/13/37/170121337.db2.gz JZTWOFYJZAMAMV-GFCCVEGCSA-N 2 2 236.363 1.333 10 0 BDAELP CC[NH2+]Cc1occc1C[N@@H+]1CCOC[C@H]1C ZINC000052475856 170132597 /nfs/dbraw/zinc/13/25/97/170132597.db2.gz WZYBCIHURCMTLE-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1occc1C[N@H+]1CCOC[C@H]1C ZINC000052475856 170132599 /nfs/dbraw/zinc/13/25/99/170132599.db2.gz WZYBCIHURCMTLE-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+][C@H]1CCOC[C@H]1[NH+]1CCCCC1 ZINC000043814393 170168990 /nfs/dbraw/zinc/16/89/90/170168990.db2.gz STOSOBZYMKTUAN-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CC[N@@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616661329 411857775 /nfs/dbraw/zinc/85/77/75/411857775.db2.gz QEUWUGKWPABRSI-NSHDSACASA-N 2 2 221.304 1.100 10 0 BDAELP CC[N@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616661329 411857777 /nfs/dbraw/zinc/85/77/77/411857777.db2.gz QEUWUGKWPABRSI-NSHDSACASA-N 2 2 221.304 1.100 10 0 BDAELP CC[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](C)C2)CCC[NH2+]1 ZINC000049666472 171010802 /nfs/dbraw/zinc/01/08/02/171010802.db2.gz QTKNALSTOWCDPF-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](C)C2)CCC[NH2+]1 ZINC000049666472 171010803 /nfs/dbraw/zinc/01/08/03/171010803.db2.gz QTKNALSTOWCDPF-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000049666472 171010805 /nfs/dbraw/zinc/01/08/05/171010805.db2.gz QTKNALSTOWCDPF-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000049666472 171010807 /nfs/dbraw/zinc/01/08/07/171010807.db2.gz QTKNALSTOWCDPF-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC2CC1(C[NH3+])C2 ZINC000662304371 412088488 /nfs/dbraw/zinc/08/84/88/412088488.db2.gz PIUUNHVZZIHBPS-UHFFFAOYSA-N 2 2 234.347 1.387 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240774 412182762 /nfs/dbraw/zinc/18/27/62/412182762.db2.gz SCYXJLMADQPVLM-UWVGGRQHSA-N 2 2 225.361 1.936 10 0 BDAELP C[N@@H+]1CCCC[C@H]1CNc1[nH+]cccc1N ZINC000044563695 173010443 /nfs/dbraw/zinc/01/04/43/173010443.db2.gz VAJPDIIXXSHKQN-JTQLQIEISA-N 2 2 220.320 1.560 10 0 BDAELP C[N@H+]1CCCC[C@H]1CNc1[nH+]cccc1N ZINC000044563695 173010444 /nfs/dbraw/zinc/01/04/44/173010444.db2.gz VAJPDIIXXSHKQN-JTQLQIEISA-N 2 2 220.320 1.560 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000054239850 173010629 /nfs/dbraw/zinc/01/06/29/173010629.db2.gz DYADKOGVCSBPHK-CPCZMJQVSA-N 2 2 226.364 1.364 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000054239850 173010632 /nfs/dbraw/zinc/01/06/32/173010632.db2.gz DYADKOGVCSBPHK-CPCZMJQVSA-N 2 2 226.364 1.364 10 0 BDAELP C[N@@H+]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000061985441 173125253 /nfs/dbraw/zinc/12/52/53/173125253.db2.gz QTLWAYFYRRLNPI-CYBMUJFWSA-N 2 2 246.358 1.798 10 0 BDAELP C[N@H+]1CC[C@@H](Nc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000061985441 173125254 /nfs/dbraw/zinc/12/52/54/173125254.db2.gz QTLWAYFYRRLNPI-CYBMUJFWSA-N 2 2 246.358 1.798 10 0 BDAELP C[NH2+]C1(c2nc(C)c(C)s2)CC[NH2+]CC1 ZINC000041060634 173322097 /nfs/dbraw/zinc/32/20/97/173322097.db2.gz VKXKFHPXZDNSCY-UHFFFAOYSA-N 2 2 225.361 1.558 10 0 BDAELP C[NH2+]CC1(C[N@@H+]2CCO[C@H](C)C2)CCCC1 ZINC000051210492 173337961 /nfs/dbraw/zinc/33/79/61/173337961.db2.gz BRADTVXKQGCWOL-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]CC1(C[N@H+]2CCO[C@H](C)C2)CCCC1 ZINC000051210492 173337963 /nfs/dbraw/zinc/33/79/63/173337963.db2.gz BRADTVXKQGCWOL-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]CCCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000035412231 173351029 /nfs/dbraw/zinc/35/10/29/173351029.db2.gz GXMODEZFCVRZSE-UHFFFAOYSA-N 2 2 225.242 1.993 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000077342266 173352547 /nfs/dbraw/zinc/35/25/47/173352547.db2.gz BWYIJTQCWLRYLM-UHFFFAOYSA-N 2 2 228.286 1.659 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc(F)c(F)c1 ZINC000077342266 173352549 /nfs/dbraw/zinc/35/25/49/173352549.db2.gz BWYIJTQCWLRYLM-UHFFFAOYSA-N 2 2 228.286 1.659 10 0 BDAELP C[NH2+]CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599002 173354358 /nfs/dbraw/zinc/35/43/58/173354358.db2.gz YHMQMJNBJBRKFU-ZDUSSCGKSA-N 2 2 204.317 1.695 10 0 BDAELP C[NH2+]CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050599002 173354361 /nfs/dbraw/zinc/35/43/61/173354361.db2.gz YHMQMJNBJBRKFU-ZDUSSCGKSA-N 2 2 204.317 1.695 10 0 BDAELP C[NH2+]C[C@@H](O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000042747035 173364937 /nfs/dbraw/zinc/36/49/37/173364937.db2.gz IWOMURIBLODSLD-NXEZZACHSA-N 2 2 240.372 1.248 10 0 BDAELP C[NH2+]C[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000042747035 173364938 /nfs/dbraw/zinc/36/49/38/173364938.db2.gz IWOMURIBLODSLD-NXEZZACHSA-N 2 2 240.372 1.248 10 0 BDAELP C[NH2+]C[C@H](c1ccccc1)n1cc[nH+]c1 ZINC000052575543 173377768 /nfs/dbraw/zinc/37/77/68/173377768.db2.gz MHXOALQZQPNYQB-GFCCVEGCSA-N 2 2 201.273 1.692 10 0 BDAELP COCC[N@H+](CC(C)C)[C@@H](C[NH3+])c1ccco1 ZINC000042368586 174287741 /nfs/dbraw/zinc/28/77/41/174287741.db2.gz KKFRSPJACHVNKZ-LBPRGKRZSA-N 2 2 240.347 1.884 10 0 BDAELP COCC[N@@H+](CC(C)C)[C@@H](C[NH3+])c1ccco1 ZINC000042368586 174287743 /nfs/dbraw/zinc/28/77/43/174287743.db2.gz KKFRSPJACHVNKZ-LBPRGKRZSA-N 2 2 240.347 1.884 10 0 BDAELP COCC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)COC ZINC000042610882 174297877 /nfs/dbraw/zinc/29/78/77/174297877.db2.gz PCQSRSVLTYWFLW-STQMWFEESA-N 2 2 246.395 1.343 10 0 BDAELP COCC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)COC ZINC000042610882 174297879 /nfs/dbraw/zinc/29/78/79/174297879.db2.gz PCQSRSVLTYWFLW-STQMWFEESA-N 2 2 246.395 1.343 10 0 BDAELP COCC[N@@H+]1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000062617286 174306814 /nfs/dbraw/zinc/30/68/14/174306814.db2.gz FEBOJKKIQXVMNP-CQSZACIVSA-N 2 2 234.343 1.669 10 0 BDAELP COCC[N@H+]1CCC[NH2+][C@@H](c2ccccc2)C1 ZINC000062617286 174306815 /nfs/dbraw/zinc/30/68/15/174306815.db2.gz FEBOJKKIQXVMNP-CQSZACIVSA-N 2 2 234.343 1.669 10 0 BDAELP COc1ccc([C@@H](C[NH3+])[NH2+]C2CC2)c(OC)c1 ZINC000050271163 175178335 /nfs/dbraw/zinc/17/83/35/175178335.db2.gz HCNWLCOBNMHQRG-GFCCVEGCSA-N 2 2 236.315 1.456 10 0 BDAELP COc1ccc([C@@H](C[NH3+])n2cc[nH+]c2)cc1 ZINC000042962227 175178775 /nfs/dbraw/zinc/17/87/75/175178775.db2.gz YEWVGOVQRDMMCA-GFCCVEGCSA-N 2 2 217.272 1.440 10 0 BDAELP COc1cccc([C@H]([NH3+])C[NH3+])c1Cl ZINC000044472546 175294413 /nfs/dbraw/zinc/29/44/13/175294413.db2.gz MFRDCIXXMZNTMC-SSDOTTSWSA-N 2 2 200.669 1.307 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000095068166 176016911 /nfs/dbraw/zinc/01/69/11/176016911.db2.gz VAHGJVVJTPYPEC-WDEREUQCSA-N 2 2 207.321 1.760 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000095068166 176016912 /nfs/dbraw/zinc/01/69/12/176016912.db2.gz VAHGJVVJTPYPEC-WDEREUQCSA-N 2 2 207.321 1.760 10 0 BDAELP C[C@@H](c1cccc(O)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086986 176018813 /nfs/dbraw/zinc/01/88/13/176018813.db2.gz AYTZYZCATKSTTR-NSHDSACASA-N 2 2 220.316 1.749 10 0 BDAELP C[C@@H](c1cccc(O)c1)[N@H+]1CCC[NH2+]CC1 ZINC000038086986 176018814 /nfs/dbraw/zinc/01/88/14/176018814.db2.gz AYTZYZCATKSTTR-NSHDSACASA-N 2 2 220.316 1.749 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CC[C@H](C[NH3+])C1 ZINC000034651136 176070709 /nfs/dbraw/zinc/07/07/09/176070709.db2.gz MPYGIXBIYDOPJC-ZIAGYGMSSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1CCCC[N@H+]1CCC[NH+]1CC[C@H](C[NH3+])C1 ZINC000034651136 176070710 /nfs/dbraw/zinc/07/07/10/176070710.db2.gz MPYGIXBIYDOPJC-ZIAGYGMSSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1CCCC[NH+]1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000034651136 176070712 /nfs/dbraw/zinc/07/07/12/176070712.db2.gz MPYGIXBIYDOPJC-ZIAGYGMSSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1CCCC[NH+]1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000034651136 176070714 /nfs/dbraw/zinc/07/07/14/176070714.db2.gz MPYGIXBIYDOPJC-ZIAGYGMSSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCCCO1 ZINC000309400466 176274437 /nfs/dbraw/zinc/27/44/37/176274437.db2.gz HHKPKFWIVDQBOD-FVCCEPFGSA-N 2 2 226.364 1.484 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCCCO1 ZINC000309400466 176274438 /nfs/dbraw/zinc/27/44/38/176274438.db2.gz HHKPKFWIVDQBOD-FVCCEPFGSA-N 2 2 226.364 1.484 10 0 BDAELP C[C@@H]1C[N@H+](CC2([NH3+])CCCCC2)[C@H](C)CO1 ZINC000035787393 176285046 /nfs/dbraw/zinc/28/50/46/176285046.db2.gz XYHNCNYAHGDOBW-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCCCC2)[C@H](C)CO1 ZINC000035787393 176285047 /nfs/dbraw/zinc/28/50/47/176285047.db2.gz XYHNCNYAHGDOBW-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cc(C[NH3+])ccc2F)CCO1 ZINC000019401749 176301068 /nfs/dbraw/zinc/30/10/68/176301068.db2.gz SYSUWDPJRMAVQA-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH3+])ccc2F)CCO1 ZINC000019401749 176301070 /nfs/dbraw/zinc/30/10/70/176301070.db2.gz SYSUWDPJRMAVQA-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@@H]1C[NH+](Cc2cc(C[NH3+])co2)C[C@@H](C)O1 ZINC000052380629 176302152 /nfs/dbraw/zinc/30/21/52/176302152.db2.gz IJYKEBMIVNADBH-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045662585 176315030 /nfs/dbraw/zinc/31/50/30/176315030.db2.gz AZCZPTIVSKSKMN-MNOVXSKESA-N 2 2 228.380 1.859 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045662585 176315032 /nfs/dbraw/zinc/31/50/32/176315032.db2.gz AZCZPTIVSKSKMN-MNOVXSKESA-N 2 2 228.380 1.859 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](CCc2ccccc2)C1 ZINC000049661491 176325843 /nfs/dbraw/zinc/32/58/43/176325843.db2.gz MMKROIKCMLCVMP-CYBMUJFWSA-N 2 2 218.344 1.770 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](CCc2ccccc2)C1 ZINC000049661491 176325845 /nfs/dbraw/zinc/32/58/45/176325845.db2.gz MMKROIKCMLCVMP-CYBMUJFWSA-N 2 2 218.344 1.770 10 0 BDAELP C[C@@H]1C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCN12 ZINC000096984033 176328700 /nfs/dbraw/zinc/32/87/00/176328700.db2.gz SEYGKUIPYQGYRN-UKRRQHHQSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@@H]1C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCN12 ZINC000096984033 176328702 /nfs/dbraw/zinc/32/87/02/176328702.db2.gz SEYGKUIPYQGYRN-UKRRQHHQSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@@H]1COC[C@@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125252097 176347357 /nfs/dbraw/zinc/34/73/57/176347357.db2.gz HNZMBZMJZLAVPZ-UPJWGTAASA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125252097 176347358 /nfs/dbraw/zinc/34/73/58/176347358.db2.gz HNZMBZMJZLAVPZ-UPJWGTAASA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000019440566 177090795 /nfs/dbraw/zinc/09/07/95/177090795.db2.gz QDLLPNOWMYSAOP-YNEHKIRRSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000019440566 177090796 /nfs/dbraw/zinc/09/07/96/177090796.db2.gz QDLLPNOWMYSAOP-YNEHKIRRSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H](c1ccccn1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662176 177170673 /nfs/dbraw/zinc/17/06/73/177170673.db2.gz UPBCRYOKAMZKHR-RYUDHWBXSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@@H](c1ccccn1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662176 177170675 /nfs/dbraw/zinc/17/06/75/177170675.db2.gz UPBCRYOKAMZKHR-RYUDHWBXSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCC1 ZINC000042427528 177189683 /nfs/dbraw/zinc/18/96/83/177189683.db2.gz DZRMQCFSBVSNPN-KBPBESRZSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCC1 ZINC000042427528 177189685 /nfs/dbraw/zinc/18/96/85/177189685.db2.gz DZRMQCFSBVSNPN-KBPBESRZSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCC2)C[C@H](C)O1 ZINC000019434362 177241255 /nfs/dbraw/zinc/24/12/55/177241255.db2.gz PJDOVJXOBKETJS-PHIMTYICSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCC2)C[C@H](C)O1 ZINC000019434362 177241256 /nfs/dbraw/zinc/24/12/56/177241256.db2.gz PJDOVJXOBKETJS-PHIMTYICSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCCC2)CC(C)(C)O1 ZINC000045664743 177241342 /nfs/dbraw/zinc/24/13/42/177241342.db2.gz GZFSKVOQWGYZRX-NSHDSACASA-N 2 2 226.364 1.757 10 0 BDAELP C[C@H]1C[N@H+](C2(C[NH3+])CCCC2)CC(C)(C)O1 ZINC000045664743 177241344 /nfs/dbraw/zinc/24/13/44/177241344.db2.gz GZFSKVOQWGYZRX-NSHDSACASA-N 2 2 226.364 1.757 10 0 BDAELP C[C@H]1CN(Cc2cc[nH+]c(N)c2)C[C@@H]1[NH+](C)C ZINC000125107783 177268577 /nfs/dbraw/zinc/26/85/77/177268577.db2.gz XBZLLOZUQGSBNX-JQWIXIFHSA-N 2 2 234.347 1.046 10 0 BDAELP C[C@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000061936542 177275531 /nfs/dbraw/zinc/27/55/31/177275531.db2.gz URBWNWMABYPIFR-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000061936542 177275533 /nfs/dbraw/zinc/27/55/33/177275533.db2.gz URBWNWMABYPIFR-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](Cc2ccccn2)C1 ZINC000049662108 177283115 /nfs/dbraw/zinc/28/31/15/177283115.db2.gz NTKNXVXFUTYRIZ-NSHDSACASA-N 2 2 205.305 1.123 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccccn2)C1 ZINC000049662108 177283116 /nfs/dbraw/zinc/28/31/16/177283116.db2.gz NTKNXVXFUTYRIZ-NSHDSACASA-N 2 2 205.305 1.123 10 0 BDAELP C[C@H]1COCC[N@@H+]1C1(C[NH3+])CCCCCC1 ZINC000035774973 177291155 /nfs/dbraw/zinc/29/11/55/177291155.db2.gz PYZNAKZNZCUTAE-LBPRGKRZSA-N 2 2 226.364 1.759 10 0 BDAELP C[C@H]1COCC[N@H+]1C1(C[NH3+])CCCCCC1 ZINC000035774973 177291157 /nfs/dbraw/zinc/29/11/57/177291157.db2.gz PYZNAKZNZCUTAE-LBPRGKRZSA-N 2 2 226.364 1.759 10 0 BDAELP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000400350161 528532037 /nfs/dbraw/zinc/53/20/37/528532037.db2.gz JRFYCFGKHUAAIM-MELADBBJSA-N 3 2 241.423 1.550 10 0 BDAELP Cc1cncc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235679281 488003872 /nfs/dbraw/zinc/00/38/72/488003872.db2.gz XIZKWSCYUIOJBY-JQWIXIFHSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cncc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235679281 488003877 /nfs/dbraw/zinc/00/38/77/488003877.db2.gz XIZKWSCYUIOJBY-JQWIXIFHSA-N 2 2 205.305 1.169 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300233214 490552606 /nfs/dbraw/zinc/55/26/06/490552606.db2.gz PFIIXOHVFIYNQU-VXGBXAGGSA-N 2 2 244.404 1.050 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300233214 490552610 /nfs/dbraw/zinc/55/26/10/490552610.db2.gz PFIIXOHVFIYNQU-VXGBXAGGSA-N 2 2 244.404 1.050 10 0 BDAELP CCCC[N@@H+]1CC[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000252474794 520596264 /nfs/dbraw/zinc/59/62/64/520596264.db2.gz MLYZAFNHNCPFKM-KGLIPLIRSA-N 2 2 240.391 1.972 10 0 BDAELP CCCC[N@H+]1CC[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000252474794 520596269 /nfs/dbraw/zinc/59/62/69/520596269.db2.gz MLYZAFNHNCPFKM-KGLIPLIRSA-N 2 2 240.391 1.972 10 0 BDAELP CC(C)[C@H]([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000039141087 535067798 /nfs/dbraw/zinc/06/77/98/535067798.db2.gz DLDAMYDEQDJFOP-OAHLLOKOSA-N 2 2 247.386 1.792 10 0 BDAELP CCn1nccc1C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261565039 535870487 /nfs/dbraw/zinc/87/04/87/535870487.db2.gz YBCFIQDFGNNNCK-LBPRGKRZSA-N 2 2 236.363 1.462 10 0 BDAELP CCn1nccc1C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261565039 535870494 /nfs/dbraw/zinc/87/04/94/535870494.db2.gz YBCFIQDFGNNNCK-LBPRGKRZSA-N 2 2 236.363 1.462 10 0 BDAELP C[C@H]1[NH2+]CCC[C@@]12CCC[N@@H+]2CCC[NH+](C)C ZINC000757134850 582513358 /nfs/dbraw/zinc/51/33/58/582513358.db2.gz XEWJGSKIJOWZDZ-ZIAGYGMSSA-N 3 2 239.407 1.545 10 0 BDAELP C[C@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCC[NH+](C)C ZINC000757134850 582513359 /nfs/dbraw/zinc/51/33/59/582513359.db2.gz XEWJGSKIJOWZDZ-ZIAGYGMSSA-N 3 2 239.407 1.545 10 0 BDAELP CC(C)c1nc(N2CC[C@@H]2C[NH3+])cc[nH+]1 ZINC000757139156 582519902 /nfs/dbraw/zinc/51/99/02/582519902.db2.gz ACCZKBGRTFTMHV-SECBINFHSA-N 2 2 206.293 1.137 10 0 BDAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757217817 582561615 /nfs/dbraw/zinc/56/16/15/582561615.db2.gz SQEHKOFJMCHYHT-YPMHNXCESA-N 2 2 215.300 1.920 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cccc(N)c2)[C@@H]1[NH3+] ZINC000757218019 582562328 /nfs/dbraw/zinc/56/23/28/582562328.db2.gz USJVXNGEEJYDDB-FXAINCCUSA-N 2 2 205.305 1.267 10 0 BDAELP CCc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000180427117 585032937 /nfs/dbraw/zinc/03/29/37/585032937.db2.gz JPBBWGKMYFYFLI-CYBMUJFWSA-N 2 2 246.358 1.632 10 0 BDAELP CCc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000180427117 585032938 /nfs/dbraw/zinc/03/29/38/585032938.db2.gz JPBBWGKMYFYFLI-CYBMUJFWSA-N 2 2 246.358 1.632 10 0 BDAELP C[C@@H]1C[C@H](c2ccc(C=O)s2)[NH2+]C[C@H]1[NH3+] ZINC000757210652 586438498 /nfs/dbraw/zinc/43/84/98/586438498.db2.gz GMAQZPAKPPXIOM-SZEHBUNVSA-N 2 2 224.329 1.558 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](c2cccc(N)c2)[C@H]([NH3+])C1 ZINC000757215206 586440317 /nfs/dbraw/zinc/44/03/17/586440317.db2.gz MUHLVZWWCCQJLT-AXTRIDKLSA-N 2 2 205.305 1.267 10 0 BDAELP CC(=O)c1cccc([C@@H]2CC[C@H]([NH3+])C[NH2+]2)c1 ZINC000757217589 586441672 /nfs/dbraw/zinc/44/16/72/586441672.db2.gz SOSNSPIFZCNQKJ-STQMWFEESA-N 2 2 218.300 1.641 10 0 BDAELP [NH3+][C@H]1CC[C@@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757220805 586442154 /nfs/dbraw/zinc/44/21/54/586442154.db2.gz ZNUHAIHLLBYYAY-CBAPKCEASA-N 2 2 210.302 1.312 10 0 BDAELP [NH3+]Cc1cc([C@H]2[NH2+]CCC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757231401 586443068 /nfs/dbraw/zinc/44/30/68/586443068.db2.gz HRTBSQRFHITOCN-LSDHHAIUSA-N 3 2 245.370 1.775 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cnn(C(C)(C)C)c2)[C@@H]1[NH3+] ZINC000757239597 586444301 /nfs/dbraw/zinc/44/43/01/586444301.db2.gz UYIYLCSXZIXBOM-YUSALJHKSA-N 2 2 236.363 1.636 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CSC1(C)C ZINC000306950221 643299915 /nfs/dbraw/zinc/29/99/15/643299915.db2.gz YDSVYWFLBZATAV-GUBZILKMSA-N 2 2 214.378 1.611 10 0 BDAELP CC(C)OC(C)(C)C[N@@H+]1CC[C@H]1C[NH3+] ZINC000757144255 643315756 /nfs/dbraw/zinc/31/57/56/643315756.db2.gz IKXMTXFXBQSMNZ-JTQLQIEISA-N 2 2 200.326 1.223 10 0 BDAELP CC(C)OC(C)(C)C[N@H+]1CC[C@H]1C[NH3+] ZINC000757144255 643315762 /nfs/dbraw/zinc/31/57/62/643315762.db2.gz IKXMTXFXBQSMNZ-JTQLQIEISA-N 2 2 200.326 1.223 10 0 BDAELP Cc1nc(N2C[C@@H](C)[C@H](CC[NH3+])C2)cc[nH+]1 ZINC000723887051 711543464 /nfs/dbraw/zinc/54/34/64/711543464.db2.gz PQIVWUAKSHIASX-MWLCHTKSSA-N 2 2 220.320 1.206 10 0 BDAELP CC(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000700758738 712004631 /nfs/dbraw/zinc/00/46/31/712004631.db2.gz CCEZRRRXRNWTOF-TUAOUCFPSA-N 2 2 249.358 1.967 10 0 BDAELP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000700758738 712004633 /nfs/dbraw/zinc/00/46/33/712004633.db2.gz CCEZRRRXRNWTOF-TUAOUCFPSA-N 2 2 249.358 1.967 10 0 BDAELP C[C@H]1C[N@H+](Cc2nccn2C2CC2)C[C@@H]1C[NH3+] ZINC000711727456 712323031 /nfs/dbraw/zinc/32/30/31/712323031.db2.gz YBLDCBZWVALXHJ-QWRGUYRKSA-N 2 2 234.347 1.245 10 0 BDAELP C[C@H]1C[N@@H+](Cc2nccn2C2CC2)C[C@@H]1C[NH3+] ZINC000711727456 712323033 /nfs/dbraw/zinc/32/30/33/712323033.db2.gz YBLDCBZWVALXHJ-QWRGUYRKSA-N 2 2 234.347 1.245 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@@H]1[NH3+] ZINC000720871890 712872781 /nfs/dbraw/zinc/87/27/81/712872781.db2.gz NHCUBIJVAKIVFC-QNWJLWSRSA-N 2 2 224.348 1.223 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C[C@@H]1[NH3+] ZINC000720871890 712872782 /nfs/dbraw/zinc/87/27/82/712872782.db2.gz NHCUBIJVAKIVFC-QNWJLWSRSA-N 2 2 224.348 1.223 10 0 BDAELP CC(C)C[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C ZINC000685952729 538896686 /nfs/dbraw/zinc/89/66/86/538896686.db2.gz COJKWCLWBRGOEA-LBPRGKRZSA-N 3 2 225.380 1.140 10 0 BDAELP CC(C)C[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C ZINC000685952729 538896687 /nfs/dbraw/zinc/89/66/87/538896687.db2.gz COJKWCLWBRGOEA-LBPRGKRZSA-N 3 2 225.380 1.140 10 0 BDAELP Cc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC000257697063 349471705 /nfs/dbraw/zinc/47/17/05/349471705.db2.gz KKQQFGFJLASTMO-ZDUSSCGKSA-N 2 2 232.331 1.365 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000309732784 398149266 /nfs/dbraw/zinc/14/92/66/398149266.db2.gz BOISKBSEOCCNNE-BDAKNGLRSA-N 2 2 230.302 1.999 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000309732784 398149267 /nfs/dbraw/zinc/14/92/67/398149267.db2.gz BOISKBSEOCCNNE-BDAKNGLRSA-N 2 2 230.302 1.999 10 0 BDAELP COc1ccccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396715112 398167316 /nfs/dbraw/zinc/16/73/16/398167316.db2.gz SPGJTCMFDHMOEE-WCQYABFASA-N 2 2 234.343 1.925 10 0 BDAELP Cc1cc([NH3+])ccc1NC[C@H]1CC[N@@H+](C)C1 ZINC000037484562 178106730 /nfs/dbraw/zinc/10/67/30/178106730.db2.gz IHGIIWGGFMIMNS-LLVKDONJSA-N 2 2 219.332 1.941 10 0 BDAELP Cc1cc([NH3+])ccc1NC[C@H]1CC[N@H+](C)C1 ZINC000037484562 178106733 /nfs/dbraw/zinc/10/67/33/178106733.db2.gz IHGIIWGGFMIMNS-LLVKDONJSA-N 2 2 219.332 1.941 10 0 BDAELP Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)nc(C(C)C)[nH+]1 ZINC000261551922 178118488 /nfs/dbraw/zinc/11/84/88/178118488.db2.gz MPWQXUIBWJFULE-GHMZBOCLSA-N 2 2 234.347 1.834 10 0 BDAELP Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000092349750 178148351 /nfs/dbraw/zinc/14/83/51/178148351.db2.gz RMQQCKGSVJCCEH-QWRGUYRKSA-N 2 2 233.315 1.846 10 0 BDAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C1(C)C ZINC000336894355 398218178 /nfs/dbraw/zinc/21/81/78/398218178.db2.gz LVPKOAAGURNIRL-FRRDWIJNSA-N 2 2 240.391 1.874 10 0 BDAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000336894355 398218181 /nfs/dbraw/zinc/21/81/81/398218181.db2.gz LVPKOAAGURNIRL-FRRDWIJNSA-N 2 2 240.391 1.874 10 0 BDAELP CCC[C@H](C[NH2+][C@H]1CCC[N@H+](CC)C1)OC ZINC000386006077 398263037 /nfs/dbraw/zinc/26/30/37/398263037.db2.gz LPQUKBBERZZFPP-QWHCGFSZSA-N 2 2 228.380 1.875 10 0 BDAELP CCC[C@H](C[NH2+][C@H]1CCC[N@@H+](CC)C1)OC ZINC000386006077 398263040 /nfs/dbraw/zinc/26/30/40/398263040.db2.gz LPQUKBBERZZFPP-QWHCGFSZSA-N 2 2 228.380 1.875 10 0 BDAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1(F)CC1 ZINC000306657060 361867401 /nfs/dbraw/zinc/86/74/01/361867401.db2.gz HRFLBYWLAYPEML-ZJUUUORDSA-N 2 2 200.301 1.690 10 0 BDAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000306657060 361867408 /nfs/dbraw/zinc/86/74/08/361867408.db2.gz HRFLBYWLAYPEML-ZJUUUORDSA-N 2 2 200.301 1.690 10 0 BDAELP C[NH+](C)[C@]1([C@@H]([NH3+])c2ccccc2)CCOC1 ZINC000144433580 342737387 /nfs/dbraw/zinc/73/73/87/342737387.db2.gz ABTPSUXVLLEKGF-QWHCGFSZSA-N 2 2 220.316 1.407 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000381406570 539000135 /nfs/dbraw/zinc/00/01/35/539000135.db2.gz SMOWRADQXYCIQW-YNEHKIRRSA-N 2 2 228.380 1.587 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000381406570 539000136 /nfs/dbraw/zinc/00/01/36/539000136.db2.gz SMOWRADQXYCIQW-YNEHKIRRSA-N 2 2 228.380 1.587 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266047 539026948 /nfs/dbraw/zinc/02/69/48/539026948.db2.gz URBYGWQHWCGIDU-NSHDSACASA-N 3 2 239.407 1.719 10 0 BDAELP CC[N@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266047 539026949 /nfs/dbraw/zinc/02/69/49/539026949.db2.gz URBYGWQHWCGIDU-NSHDSACASA-N 3 2 239.407 1.719 10 0 BDAELP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000300804970 259327728 /nfs/dbraw/zinc/32/77/28/259327728.db2.gz BGTAWNSRWREEDW-RKDXNWHRSA-N 2 2 224.308 1.291 10 0 BDAELP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1noc(C[NH3+])n1 ZINC000300804970 259327730 /nfs/dbraw/zinc/32/77/30/259327730.db2.gz BGTAWNSRWREEDW-RKDXNWHRSA-N 2 2 224.308 1.291 10 0 BDAELP C[NH2+][C@@H](C)C[N@@H+]1CCSC(C)(C)C1 ZINC000133338705 398324371 /nfs/dbraw/zinc/32/43/71/398324371.db2.gz JTYOSQJJXWEPKU-VIFPVBQESA-N 2 2 202.367 1.422 10 0 BDAELP C[NH2+][C@@H](C)C[N@H+]1CCSC(C)(C)C1 ZINC000133338705 398324372 /nfs/dbraw/zinc/32/43/72/398324372.db2.gz JTYOSQJJXWEPKU-VIFPVBQESA-N 2 2 202.367 1.422 10 0 BDAELP C[C@H]([NH3+])[C@@H](c1ccsc1)n1cc[nH+]c1 ZINC000043124106 342928646 /nfs/dbraw/zinc/92/86/46/342928646.db2.gz QGTOEWALWLJAQS-WPRPVWTQSA-N 2 2 207.302 1.881 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000383429302 362023397 /nfs/dbraw/zinc/02/33/97/362023397.db2.gz BRJHQRKTBHYNBD-GARJFASQSA-N 2 2 233.315 1.264 10 0 BDAELP C=C=CC[NH2+]CCC[NH2+]CCC[NH2+]CC=C=C ZINC000028770127 187255610 /nfs/dbraw/zinc/25/56/10/187255610.db2.gz MXBZDDOCCZCAAJ-UHFFFAOYSA-N 3 2 235.375 1.218 10 0 BDAELP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc2c1COC2 ZINC000335643126 136303533 /nfs/dbraw/zinc/30/35/33/136303533.db2.gz OCQUDDYLTXKWPA-CYBMUJFWSA-N 2 2 218.300 1.168 10 0 BDAELP Cc1cc(N[C@@H](C[NH3+])CC(C)C)nc[nH+]1 ZINC000082593026 343450185 /nfs/dbraw/zinc/45/01/85/343450185.db2.gz FRSLJKXUGJBJSS-SNVBAGLBSA-N 2 2 208.309 1.570 10 0 BDAELP CNc1[nH+]cccc1Cn1c[nH+]c(C)c1C ZINC000052733963 187271452 /nfs/dbraw/zinc/27/14/52/187271452.db2.gz ALAGKTIQEWSWPI-UHFFFAOYSA-N 2 2 216.288 1.985 10 0 BDAELP CC1([NH2+]C[C@H]2CSCC[NH2+]2)CCCC1 ZINC000127163403 343884929 /nfs/dbraw/zinc/88/49/29/343884929.db2.gz PNXARJSWOUZWJB-JTQLQIEISA-N 2 2 214.378 1.614 10 0 BDAELP CC(C)c1nc(NC[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000212411014 344133197 /nfs/dbraw/zinc/13/31/97/344133197.db2.gz NKWNTIRPOMUEAH-SNVBAGLBSA-N 2 2 220.320 1.621 10 0 BDAELP CC(C)c1cccc([C@@]2([NH3+])CC[NH2+]C2)c1 ZINC000142442671 344329407 /nfs/dbraw/zinc/32/94/07/344329407.db2.gz HJPNHOYKLBQPCG-CYBMUJFWSA-N 2 2 204.317 1.957 10 0 BDAELP Cc1nc(C)c(CC2=C[C@@H]([NH3+])C[NH2+]C2)s1 ZINC000675077485 537893447 /nfs/dbraw/zinc/89/34/47/537893447.db2.gz FMWMKNANFQRQQJ-SNVBAGLBSA-N 2 2 223.345 1.159 10 0 BDAELP C[C@H](c1cnccn1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000253612741 345692880 /nfs/dbraw/zinc/69/28/80/345692880.db2.gz IXNUMGCTEHUPGX-MNOVXSKESA-N 2 2 220.320 1.079 10 0 BDAELP C[C@H](c1cnccn1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000253612741 345692882 /nfs/dbraw/zinc/69/28/82/345692882.db2.gz IXNUMGCTEHUPGX-MNOVXSKESA-N 2 2 220.320 1.079 10 0 BDAELP CC(C)C[C@](C)(C[NH3+])[NH+]1CCOCC1 ZINC000019438800 187313951 /nfs/dbraw/zinc/31/39/51/187313951.db2.gz OANYWVXDBLQPAS-LLVKDONJSA-N 2 2 200.326 1.082 10 0 BDAELP Cc1cccc(C[N@H+](CC[NH3+])C[C@@H]2CCCO2)c1 ZINC000032103943 179071978 /nfs/dbraw/zinc/07/19/78/179071978.db2.gz GLEHDFCKVDHPNN-HNNXBMFYSA-N 2 2 248.370 1.935 10 0 BDAELP Cc1cccc(C[N@@H+](CC[NH3+])C[C@@H]2CCCO2)c1 ZINC000032103943 179071979 /nfs/dbraw/zinc/07/19/79/179071979.db2.gz GLEHDFCKVDHPNN-HNNXBMFYSA-N 2 2 248.370 1.935 10 0 BDAELP Cc1cccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)n1 ZINC000051577682 179079429 /nfs/dbraw/zinc/07/94/29/179079429.db2.gz PUDCBASKJLEUJB-LLVKDONJSA-N 2 2 219.332 1.574 10 0 BDAELP Cc1cccc(C[N@H+]2CC[NH2+][C@H](C)CC2)n1 ZINC000051577682 179079431 /nfs/dbraw/zinc/07/94/31/179079431.db2.gz PUDCBASKJLEUJB-LLVKDONJSA-N 2 2 219.332 1.574 10 0 BDAELP CCC(F)(F)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000641798945 362746972 /nfs/dbraw/zinc/74/69/72/362746972.db2.gz RDTFOUKGDXPLBE-AEJSXWLSSA-N 2 2 218.291 1.701 10 0 BDAELP CCC(F)(F)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000641798945 362746978 /nfs/dbraw/zinc/74/69/78/362746978.db2.gz RDTFOUKGDXPLBE-AEJSXWLSSA-N 2 2 218.291 1.701 10 0 BDAELP C[C@H]([NH3+])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000059834942 347230665 /nfs/dbraw/zinc/23/06/65/347230665.db2.gz HYXVSPFIELVLJR-JTQLQIEISA-N 2 2 201.273 1.951 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@@H+](CCO)C(C)C)c1 ZINC000042967496 179198601 /nfs/dbraw/zinc/19/86/01/179198601.db2.gz KTJXMJHPTSFXKH-AWEZNQCLSA-N 2 2 236.359 1.698 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@H+](CCO)C(C)C)c1 ZINC000042967496 179198602 /nfs/dbraw/zinc/19/86/02/179198602.db2.gz KTJXMJHPTSFXKH-AWEZNQCLSA-N 2 2 236.359 1.698 10 0 BDAELP Cc1ccccc1-n1c[nH+]cc1CC[NH3+] ZINC000076638188 179243015 /nfs/dbraw/zinc/24/30/15/179243015.db2.gz WNESOQDJZVLILJ-UHFFFAOYSA-N 2 2 201.273 1.682 10 0 BDAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CCSC[C@H]1C ZINC000251197246 362844793 /nfs/dbraw/zinc/84/47/93/362844793.db2.gz FGWBPIZKBJROKJ-HTQZYQBOSA-N 2 2 201.339 1.138 10 0 BDAELP CC[C@H](C(N)=[NH2+])[N@H+]1CCSC[C@H]1C ZINC000251197246 362844796 /nfs/dbraw/zinc/84/47/96/362844796.db2.gz FGWBPIZKBJROKJ-HTQZYQBOSA-N 2 2 201.339 1.138 10 0 BDAELP Cc1ccccc1C[C@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000036946765 179291862 /nfs/dbraw/zinc/29/18/62/179291862.db2.gz HBSMMIPKRKWVLS-LBPRGKRZSA-N 2 2 215.300 1.831 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@H](O)C1 ZINC000043035254 179341527 /nfs/dbraw/zinc/34/15/27/179341527.db2.gz DCHQOBKKBIXCLY-JSGCOSHPSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@H](O)C1 ZINC000043035254 179341529 /nfs/dbraw/zinc/34/15/29/179341529.db2.gz DCHQOBKKBIXCLY-JSGCOSHPSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](CCO)C1CC1 ZINC000043037113 179342845 /nfs/dbraw/zinc/34/28/45/179342845.db2.gz FMRNYCXMTQHMRF-AWEZNQCLSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](CCO)C1CC1 ZINC000043037113 179342847 /nfs/dbraw/zinc/34/28/47/179342847.db2.gz FMRNYCXMTQHMRF-AWEZNQCLSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+](CCO)C1CC1 ZINC000043037118 179346367 /nfs/dbraw/zinc/34/63/67/179346367.db2.gz MFDFWDSDOIEKIJ-DOMZBBRYSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+](CCO)C1CC1 ZINC000043037118 179346369 /nfs/dbraw/zinc/34/63/69/179346369.db2.gz MFDFWDSDOIEKIJ-DOMZBBRYSA-N 2 2 248.370 1.840 10 0 BDAELP c1cc(NC[C@@H]2CC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC000212228767 349310078 /nfs/dbraw/zinc/31/00/78/349310078.db2.gz ZXLFDCUDCUGXQS-SECBINFHSA-N 2 2 218.304 1.375 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160723558 349313630 /nfs/dbraw/zinc/31/36/30/349313630.db2.gz DBFVJXTXONINMO-ZIAGYGMSSA-N 2 2 240.391 1.611 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160723558 349313631 /nfs/dbraw/zinc/31/36/31/349313631.db2.gz DBFVJXTXONINMO-ZIAGYGMSSA-N 2 2 240.391 1.611 10 0 BDAELP Cc1nc(NCCCC[NH3+])c2c([nH+]1)CCC2 ZINC000057328883 180071086 /nfs/dbraw/zinc/07/10/86/180071086.db2.gz JVDXRSWPOUJNBI-UHFFFAOYSA-N 2 2 220.320 1.425 10 0 BDAELP Cc1nc(N[C@@H]2CCCC[C@@H]2[NH3+])cc[nH+]1 ZINC000054936775 180202805 /nfs/dbraw/zinc/20/28/05/180202805.db2.gz HWXJZVMQDNLOOJ-VHSXEESVSA-N 2 2 206.293 1.467 10 0 BDAELP Cc1nccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)n1 ZINC000062079017 180189845 /nfs/dbraw/zinc/18/98/45/180189845.db2.gz SDBLDAYAUQMJON-GFCCVEGCSA-N 2 2 248.374 1.607 10 0 BDAELP Cc1[nH+]cnc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000045954935 180290737 /nfs/dbraw/zinc/29/07/37/180290737.db2.gz HXJIWEVNNUXMTK-NSHDSACASA-N 2 2 220.320 1.505 10 0 BDAELP Nc1cccc([C@@H]2CCCC[N@H+](CC[NH3+])C2)n1 ZINC000616605900 350795517 /nfs/dbraw/zinc/79/55/17/350795517.db2.gz YUCSPAFLSRVLGY-LLVKDONJSA-N 2 2 234.347 1.192 10 0 BDAELP Nc1cccc([C@@H]2CCCC[N@@H+](CC[NH3+])C2)n1 ZINC000616605900 350795521 /nfs/dbraw/zinc/79/55/21/350795521.db2.gz YUCSPAFLSRVLGY-LLVKDONJSA-N 2 2 234.347 1.192 10 0 BDAELP CNc1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616607564 350801273 /nfs/dbraw/zinc/80/12/73/350801273.db2.gz KKYIBOATDZIFDS-ZDUSSCGKSA-N 2 2 219.332 1.824 10 0 BDAELP CNc1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616607564 350801274 /nfs/dbraw/zinc/80/12/74/350801274.db2.gz KKYIBOATDZIFDS-ZDUSSCGKSA-N 2 2 219.332 1.824 10 0 BDAELP Nc1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616614282 350830426 /nfs/dbraw/zinc/83/04/26/350830426.db2.gz BNKCBYLYZWFHIF-CYBMUJFWSA-N 2 2 219.332 1.755 10 0 BDAELP Nc1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616614282 350830430 /nfs/dbraw/zinc/83/04/30/350830430.db2.gz BNKCBYLYZWFHIF-CYBMUJFWSA-N 2 2 219.332 1.755 10 0 BDAELP [NH3+]CC[NH+]1CCC(c2cccc(CCO)c2)CC1 ZINC000616619095 350926624 /nfs/dbraw/zinc/92/66/24/350926624.db2.gz BTUKODNWSSKRQH-UHFFFAOYSA-N 2 2 248.370 1.360 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000306720529 350879776 /nfs/dbraw/zinc/87/97/76/350879776.db2.gz ZPRBTQBALYYXKH-KGLIPLIRSA-N 2 2 234.343 1.231 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000306720529 350879778 /nfs/dbraw/zinc/87/97/78/350879778.db2.gz ZPRBTQBALYYXKH-KGLIPLIRSA-N 2 2 234.343 1.231 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ncco2)C1 ZINC000616626810 351106952 /nfs/dbraw/zinc/10/69/52/351106952.db2.gz BJJBXMMUOJLZLF-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ncco2)C1 ZINC000616626810 351106953 /nfs/dbraw/zinc/10/69/53/351106953.db2.gz BJJBXMMUOJLZLF-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cnoc2)C1 ZINC000616628380 351097680 /nfs/dbraw/zinc/09/76/80/351097680.db2.gz KIFVKEIGZYNZPA-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cnoc2)C1 ZINC000616628380 351097681 /nfs/dbraw/zinc/09/76/81/351097681.db2.gz KIFVKEIGZYNZPA-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CCN1CCc2ccccc2[C@H]1c1[nH]cc[nH+]1 ZINC000616681477 351249674 /nfs/dbraw/zinc/24/96/74/351249674.db2.gz YBCFXXGNHOZKEP-ZDUSSCGKSA-N 2 2 242.326 1.316 10 0 BDAELP CC(C)[N@@H+]1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616687432 351258128 /nfs/dbraw/zinc/25/81/28/351258128.db2.gz YKOQBJQFJRPOIZ-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616687432 351258130 /nfs/dbraw/zinc/25/81/30/351258130.db2.gz YKOQBJQFJRPOIZ-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP C[C@H]1CC[N@H+](C2CSC2)[C@@H](C[NH3+])C1 ZINC000306971678 351393563 /nfs/dbraw/zinc/39/35/63/351393563.db2.gz SUTXYLLYAGZQDR-DTWKUNHWSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1CC[N@@H+](C2CSC2)[C@@H](C[NH3+])C1 ZINC000306971678 351393565 /nfs/dbraw/zinc/39/35/65/351393565.db2.gz SUTXYLLYAGZQDR-DTWKUNHWSA-N 2 2 200.351 1.161 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@]1(C)CC[NH2+]C1 ZINC000306979379 351397442 /nfs/dbraw/zinc/39/74/42/351397442.db2.gz DRFLATJPMJDMNN-CYBMUJFWSA-N 2 2 204.317 1.870 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@]1(C)CC[NH2+]C1 ZINC000306979379 351397445 /nfs/dbraw/zinc/39/74/45/351397445.db2.gz DRFLATJPMJDMNN-CYBMUJFWSA-N 2 2 204.317 1.870 10 0 BDAELP [NH3+][C@@H]1CC[C@@H]([N@@H+]2CCC=C(Br)C2)C1 ZINC000404407172 351426444 /nfs/dbraw/zinc/42/64/44/351426444.db2.gz XQWOBPKTXZIMKY-NXEZZACHSA-N 2 2 245.164 1.851 10 0 BDAELP [NH3+][C@@H]1CC[C@@H]([N@H+]2CCC=C(Br)C2)C1 ZINC000404407172 351426448 /nfs/dbraw/zinc/42/64/48/351426448.db2.gz XQWOBPKTXZIMKY-NXEZZACHSA-N 2 2 245.164 1.851 10 0 BDAELP C[C@H]1[NH2+]CCC[C@H]1[NH+]1CCSCC1 ZINC000307009515 351416332 /nfs/dbraw/zinc/41/63/32/351416332.db2.gz INBUYJAGTQWDOS-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP CSC1CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 ZINC000300927463 363148398 /nfs/dbraw/zinc/14/83/98/363148398.db2.gz ZKWJYAZFYFHBFH-JTQLQIEISA-N 2 2 214.378 1.566 10 0 BDAELP C[C@]1([NH3+])CC=C(c2cccc(N)[nH+]2)CC1 ZINC000725272843 538104662 /nfs/dbraw/zinc/10/46/62/538104662.db2.gz SQORDPRDKPUMRZ-LBPRGKRZSA-N 2 2 203.289 1.949 10 0 BDAELP COCC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000052810551 352983447 /nfs/dbraw/zinc/98/34/47/352983447.db2.gz AXGXXMXZNILRSV-ZDUSSCGKSA-N 2 2 222.332 1.482 10 0 BDAELP COCC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000052810551 352983451 /nfs/dbraw/zinc/98/34/51/352983451.db2.gz AXGXXMXZNILRSV-ZDUSSCGKSA-N 2 2 222.332 1.482 10 0 BDAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C1CC1)C2 ZINC000165283040 353279937 /nfs/dbraw/zinc/27/99/37/353279937.db2.gz RQBHOOBQDGFPQT-JQWIXIFHSA-N 2 2 219.332 1.894 10 0 BDAELP Cc1cc[nH+]c(C[C@@H](O)C2CC[NH2+]CC2)c1 ZINC000167297434 355982633 /nfs/dbraw/zinc/98/26/33/355982633.db2.gz JUXFGTHBOBFWRJ-CYBMUJFWSA-N 2 2 220.316 1.293 10 0 BDAELP CN(CCC[NH3+])c1cc(C(F)(F)F)cc[nH+]1 ZINC000085486087 356477466 /nfs/dbraw/zinc/47/74/66/356477466.db2.gz HYLUWFDQFQALGX-UHFFFAOYSA-N 2 2 233.237 1.885 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000630093369 363526270 /nfs/dbraw/zinc/52/62/70/363526270.db2.gz NKJNJSUJAROGEC-NXEZZACHSA-N 2 2 221.304 1.121 10 0 BDAELP [NH3+][C@H]1C=C(c2ccc(Cl)cc2)C[NH2+]C1 ZINC000675076650 538511283 /nfs/dbraw/zinc/51/12/83/538511283.db2.gz FMHQUNHIORPYCO-NSHDSACASA-N 2 2 208.692 1.654 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccncc2Cl)C[NH2+]C1 ZINC000675077430 538514014 /nfs/dbraw/zinc/51/40/14/538514014.db2.gz FAFGBNPWMLJFLW-SNVBAGLBSA-N 2 2 223.707 1.134 10 0 BDAELP Cc1cnc([C@H](C)[NH2+]CCn2cc[nH+]c2C)o1 ZINC000230647189 357544722 /nfs/dbraw/zinc/54/47/22/357544722.db2.gz XKBVLKIPANRNLO-JTQLQIEISA-N 2 2 234.303 1.839 10 0 BDAELP CC1CC[NH+]([C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685948237 538890055 /nfs/dbraw/zinc/89/00/55/538890055.db2.gz CPSHMAPKZNDMOQ-GHMZBOCLSA-N 2 2 200.301 1.418 10 0 BDAELP CC1(C)CC[NH+]([C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948243 538890601 /nfs/dbraw/zinc/89/06/01/538890601.db2.gz CPXXKMIHTSUWHM-QWRGUYRKSA-N 2 2 214.328 1.808 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C[C@H]2F)[C@H]1C ZINC000685948584 538891351 /nfs/dbraw/zinc/89/13/51/538891351.db2.gz QNQSHILBZRIYJG-WRWGMCAJSA-N 2 2 214.328 1.807 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C[C@H]2F)[C@H]1C ZINC000685948584 538891353 /nfs/dbraw/zinc/89/13/53/538891353.db2.gz QNQSHILBZRIYJG-WRWGMCAJSA-N 2 2 214.328 1.807 10 0 BDAELP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227727 358335949 /nfs/dbraw/zinc/33/59/49/358335949.db2.gz PTDODWRRQPCQQD-IJLUTSLNSA-N 2 2 223.320 1.165 10 0 BDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227996 358335399 /nfs/dbraw/zinc/33/53/99/358335399.db2.gz OXFRIYSXWLNRGV-BFHYXJOUSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762717 358793729 /nfs/dbraw/zinc/79/37/29/358793729.db2.gz MODHDUUIMOEIIZ-GFCCVEGCSA-N 2 2 228.380 1.611 10 0 BDAELP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H]1CCCO ZINC000052762717 358793730 /nfs/dbraw/zinc/79/37/30/358793730.db2.gz MODHDUUIMOEIIZ-GFCCVEGCSA-N 2 2 228.380 1.611 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCS[C@H]2C)C1 ZINC000300353964 358971345 /nfs/dbraw/zinc/97/13/45/358971345.db2.gz ZYTKBFURDCHCKB-IVZWLZJFSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CCS[C@H]2C)C1 ZINC000300353964 358971348 /nfs/dbraw/zinc/97/13/48/358971348.db2.gz ZYTKBFURDCHCKB-IVZWLZJFSA-N 2 2 200.351 1.174 10 0 BDAELP [NH3+]C1(C[NH+]2CCC(C(F)F)CC2)CC1 ZINC000306251970 359465475 /nfs/dbraw/zinc/46/54/75/359465475.db2.gz ROUNBRJRZFUBBN-UHFFFAOYSA-N 2 2 204.264 1.455 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]Cc2cc[nH]c2)[C@@H](C)C1 ZINC000309049452 491143429 /nfs/dbraw/zinc/14/34/29/491143429.db2.gz QAHXJOFZPZOGKM-JQWIXIFHSA-N 2 2 207.321 1.445 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]Cc2cc[nH]c2)[C@@H](C)C1 ZINC000309049452 491143430 /nfs/dbraw/zinc/14/34/30/491143430.db2.gz QAHXJOFZPZOGKM-JQWIXIFHSA-N 2 2 207.321 1.445 10 0 BDAELP COC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000306545904 360414761 /nfs/dbraw/zinc/41/47/61/360414761.db2.gz WIJYMVHEMHUECR-LBPRGKRZSA-N 2 2 222.332 1.529 10 0 BDAELP C[C@@H]1C[NH2+][C@](C)([C@H]2CC[NH2+]C2)SC1 ZINC000306580327 360470744 /nfs/dbraw/zinc/47/07/44/360470744.db2.gz OKLCNHVYDSXTNV-UTLUCORTSA-N 2 2 200.351 1.285 10 0 BDAELP CC(C)CCC[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000309603408 491152275 /nfs/dbraw/zinc/15/22/75/491152275.db2.gz KRCNKFUFVPBOHV-ZDUSSCGKSA-N 2 2 228.380 1.469 10 0 BDAELP CC(C)CCC[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000309603408 491152276 /nfs/dbraw/zinc/15/22/76/491152276.db2.gz KRCNKFUFVPBOHV-ZDUSSCGKSA-N 2 2 228.380 1.469 10 0 BDAELP C[C@H]1CO[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000038673979 364051969 /nfs/dbraw/zinc/05/19/69/364051969.db2.gz SEZNKYANPTZLKD-WCQYABFASA-N 2 2 220.316 1.235 10 0 BDAELP C[C@H]1CO[C@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000038673979 364051975 /nfs/dbraw/zinc/05/19/75/364051975.db2.gz SEZNKYANPTZLKD-WCQYABFASA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C[NH3+] ZINC000630575026 364273076 /nfs/dbraw/zinc/27/30/76/364273076.db2.gz WTIYIBPHOVUBCA-ZJUUUORDSA-N 2 2 230.315 1.594 10 0 BDAELP Cc1cc(N[C@@H]2CC[C@@H](C)[NH2+]C2)nc[nH+]1 ZINC000630533799 364226025 /nfs/dbraw/zinc/22/60/25/364226025.db2.gz RMQADUKMCFGPEL-PSASIEDQSA-N 2 2 206.293 1.337 10 0 BDAELP C[C@@H]1CC[NH2+][C@]2(CC[NH2+]C[C@H]2C)S1 ZINC000253286727 368913825 /nfs/dbraw/zinc/91/38/25/368913825.db2.gz OVFUFGNETQTYSZ-OPRDCNLKSA-N 2 2 200.351 1.427 10 0 BDAELP [NH3+]CCN1C[C@@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616692691 369115665 /nfs/dbraw/zinc/11/56/65/369115665.db2.gz MIMOYDRXRHJKMW-NSHDSACASA-N 2 2 243.314 1.342 10 0 BDAELP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccn1 ZINC000621774128 370520091 /nfs/dbraw/zinc/52/00/91/370520091.db2.gz LGYGVPDJUZXCKZ-LBPRGKRZSA-N 2 2 205.305 1.313 10 0 BDAELP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccn1 ZINC000621774128 370520097 /nfs/dbraw/zinc/52/00/97/370520097.db2.gz LGYGVPDJUZXCKZ-LBPRGKRZSA-N 2 2 205.305 1.313 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000230068335 371647497 /nfs/dbraw/zinc/64/74/97/371647497.db2.gz FRRWEEKCNJSTFN-WCQYABFASA-N 2 2 220.316 1.235 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000230068335 371647504 /nfs/dbraw/zinc/64/75/04/371647504.db2.gz FRRWEEKCNJSTFN-WCQYABFASA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1SCC[N@H+](CC2([NH3+])CC2)[C@H]1C ZINC000132489036 371836494 /nfs/dbraw/zinc/83/64/94/371836494.db2.gz NTNNFRURRBHVQK-IUCAKERBSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1SCC[N@@H+](CC2([NH3+])CC2)[C@H]1C ZINC000132489036 371836506 /nfs/dbraw/zinc/83/65/06/371836506.db2.gz NTNNFRURRBHVQK-IUCAKERBSA-N 2 2 200.351 1.304 10 0 BDAELP CC[C@@H]1C[N@@H+](C2(C[NH3+])CCC2)CCS1 ZINC000132960490 371957927 /nfs/dbraw/zinc/95/79/27/371957927.db2.gz JYPMFZSQVMWZOQ-SNVBAGLBSA-N 2 2 214.378 1.695 10 0 BDAELP CC[C@@H]1C[N@H+](C2(C[NH3+])CCC2)CCS1 ZINC000132960490 371957934 /nfs/dbraw/zinc/95/79/34/371957934.db2.gz JYPMFZSQVMWZOQ-SNVBAGLBSA-N 2 2 214.378 1.695 10 0 BDAELP Cc1nccnc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000631823428 372600293 /nfs/dbraw/zinc/60/02/93/372600293.db2.gz DKSYLYMKQWQCBO-LBPRGKRZSA-N 2 2 234.347 1.359 10 0 BDAELP Cc1nccnc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000631823428 372600299 /nfs/dbraw/zinc/60/02/99/372600299.db2.gz DKSYLYMKQWQCBO-LBPRGKRZSA-N 2 2 234.347 1.359 10 0 BDAELP Cc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631838072 372622567 /nfs/dbraw/zinc/62/25/67/372622567.db2.gz ZSTCOJOJHVNIGY-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631838072 372622574 /nfs/dbraw/zinc/62/25/74/372622574.db2.gz ZSTCOJOJHVNIGY-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP C[C@@H]1C[N@H+](Cc2nccs2)C[C@@H]1C[NH3+] ZINC000631838515 372631061 /nfs/dbraw/zinc/63/10/61/372631061.db2.gz PTHIOVDHWJHJEV-BDAKNGLRSA-N 2 2 211.334 1.170 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2nccs2)C[C@@H]1C[NH3+] ZINC000631838515 372631066 /nfs/dbraw/zinc/63/10/66/372631066.db2.gz PTHIOVDHWJHJEV-BDAKNGLRSA-N 2 2 211.334 1.170 10 0 BDAELP OC[C@H](c1ccsc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117359 183145046 /nfs/dbraw/zinc/14/50/46/183145046.db2.gz KDTGZDHWYUNDDE-LLVKDONJSA-N 2 2 226.345 1.077 10 0 BDAELP OC[C@H](c1ccsc1)[N@H+]1CCC[NH2+]CC1 ZINC000038117359 183145048 /nfs/dbraw/zinc/14/50/48/183145048.db2.gz KDTGZDHWYUNDDE-LLVKDONJSA-N 2 2 226.345 1.077 10 0 BDAELP CCC[N@H+](CC[NH3+])Cc1cccc(OC)c1 ZINC000032014351 169157242 /nfs/dbraw/zinc/15/72/42/169157242.db2.gz MUZLABVTSAVEDI-UHFFFAOYSA-N 2 2 222.332 1.866 10 0 BDAELP CCC[N@@H+](CC[NH3+])Cc1cccc(OC)c1 ZINC000032014351 169157243 /nfs/dbraw/zinc/15/72/43/169157243.db2.gz MUZLABVTSAVEDI-UHFFFAOYSA-N 2 2 222.332 1.866 10 0 BDAELP c1cc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000044722270 183338580 /nfs/dbraw/zinc/33/85/80/183338580.db2.gz MIPSZANEOSNRQG-ZDUSSCGKSA-N 2 2 231.343 1.450 10 0 BDAELP c1cc(CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000044722270 183338583 /nfs/dbraw/zinc/33/85/83/183338583.db2.gz MIPSZANEOSNRQG-ZDUSSCGKSA-N 2 2 231.343 1.450 10 0 BDAELP c1ccc(C[NH+]2CCC3(CC2)COCC[NH2+]3)cc1 ZINC000096964690 183396384 /nfs/dbraw/zinc/39/63/84/183396384.db2.gz CKGGHZHNOGPIHH-UHFFFAOYSA-N 2 2 246.354 1.641 10 0 BDAELP CCC[NH2+][C@H]1CC[N@H+](CCC[NH+](C)C)[C@H](C)C1 ZINC000049710849 169291925 /nfs/dbraw/zinc/29/19/25/169291925.db2.gz GSSSLCXXJMWANN-KGLIPLIRSA-N 3 2 241.423 1.791 10 0 BDAELP CCC[NH2+][C@H]1CC[N@@H+](CCC[NH+](C)C)[C@H](C)C1 ZINC000049710849 169291927 /nfs/dbraw/zinc/29/19/27/169291927.db2.gz GSSSLCXXJMWANN-KGLIPLIRSA-N 3 2 241.423 1.791 10 0 BDAELP CC(C)[N@H+](C)CCC[NH2+]C1CC[NH2+]CC1 ZINC000226338313 134360759 /nfs/dbraw/zinc/36/07/59/134360759.db2.gz ULLRITQUMQCRPV-UHFFFAOYSA-N 3 2 213.369 1.058 10 0 BDAELP CC(C)[N@@H+](C)CCC[NH2+]C1CC[NH2+]CC1 ZINC000226338313 134360760 /nfs/dbraw/zinc/36/07/60/134360760.db2.gz ULLRITQUMQCRPV-UHFFFAOYSA-N 3 2 213.369 1.058 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCOC1)C2 ZINC000309341527 383873269 /nfs/dbraw/zinc/87/32/69/383873269.db2.gz KKOWSVCSSNZOCM-ZJUUUORDSA-N 2 2 221.304 1.036 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000309341527 383873274 /nfs/dbraw/zinc/87/32/74/383873274.db2.gz KKOWSVCSSNZOCM-ZJUUUORDSA-N 2 2 221.304 1.036 10 0 BDAELP C[N@H+](C[C@@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000037175247 383955007 /nfs/dbraw/zinc/95/50/07/383955007.db2.gz MGAFKTCVJHEVQJ-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[N@@H+](C[C@@H]1CCCC[NH2+]1)[C@@H]1CCSC1 ZINC000037175247 383955011 /nfs/dbraw/zinc/95/50/11/383955011.db2.gz MGAFKTCVJHEVQJ-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCCCO1 ZINC000309400474 384032104 /nfs/dbraw/zinc/03/21/04/384032104.db2.gz HHKPKFWIVDQBOD-NDBYEHHHSA-N 2 2 226.364 1.484 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCCCO1 ZINC000309400474 384032109 /nfs/dbraw/zinc/03/21/09/384032109.db2.gz HHKPKFWIVDQBOD-NDBYEHHHSA-N 2 2 226.364 1.484 10 0 BDAELP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000070634494 384126540 /nfs/dbraw/zinc/12/65/40/384126540.db2.gz BRXGKRMKDTYYFJ-BDAKNGLRSA-N 2 2 211.334 1.403 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(F)cc1Cl ZINC000234447825 384174876 /nfs/dbraw/zinc/17/48/76/384174876.db2.gz GZUYGYHAUMQMEP-SECBINFHSA-N 2 2 202.660 1.698 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000121646180 384433813 /nfs/dbraw/zinc/43/38/13/384433813.db2.gz LIGLRWGLSQRCDO-LLVKDONJSA-N 2 2 248.330 1.558 10 0 BDAELP CN(c1[nH+]c2ccccc2n1C)C1CC([NH3+])C1 ZINC000335661938 384468406 /nfs/dbraw/zinc/46/84/06/384468406.db2.gz WTLNZJVBCNAHJT-UHFFFAOYSA-N 2 2 230.315 1.499 10 0 BDAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590689 384519193 /nfs/dbraw/zinc/51/91/93/384519193.db2.gz ROTLVPOVCGAQPS-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000061590689 384519194 /nfs/dbraw/zinc/51/91/94/384519194.db2.gz ROTLVPOVCGAQPS-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000072201034 384816723 /nfs/dbraw/zinc/81/67/23/384816723.db2.gz FWFMYGKUYQPYCO-QMMMGPOBSA-N 2 2 222.185 1.803 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000125384450 384836319 /nfs/dbraw/zinc/83/63/19/384836319.db2.gz QWDXHNGZDJWCBY-YGNMPJRFSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000125384450 384836324 /nfs/dbraw/zinc/83/63/24/384836324.db2.gz QWDXHNGZDJWCBY-YGNMPJRFSA-N 2 2 224.348 1.236 10 0 BDAELP COCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368002204 384944448 /nfs/dbraw/zinc/94/44/48/384944448.db2.gz USUQXVLKXAHIOX-VHSXEESVSA-N 2 2 223.320 1.282 10 0 BDAELP COCC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368002204 384944455 /nfs/dbraw/zinc/94/44/55/384944455.db2.gz USUQXVLKXAHIOX-VHSXEESVSA-N 2 2 223.320 1.282 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCCO1 ZINC000308986718 385332014 /nfs/dbraw/zinc/33/20/14/385332014.db2.gz JYJDLCXNOPMPBB-RHYQMDGZSA-N 2 2 212.337 1.094 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCCO1 ZINC000308986718 385332017 /nfs/dbraw/zinc/33/20/17/385332017.db2.gz JYJDLCXNOPMPBB-RHYQMDGZSA-N 2 2 212.337 1.094 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000299993185 385388391 /nfs/dbraw/zinc/38/83/91/385388391.db2.gz XKPFXWRWEXMJQE-QWHCGFSZSA-N 2 2 238.375 1.901 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CCCC2)O1 ZINC000299993185 385388392 /nfs/dbraw/zinc/38/83/92/385388392.db2.gz XKPFXWRWEXMJQE-QWHCGFSZSA-N 2 2 238.375 1.901 10 0 BDAELP Cc1cnc([C@@H](C)[NH2+]CCn2cc[nH+]c2)o1 ZINC000309390760 385558945 /nfs/dbraw/zinc/55/89/45/385558945.db2.gz FUIFBZZRVIEHFW-SNVBAGLBSA-N 2 2 220.276 1.530 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc(CO)c2)C1 ZINC000616621798 385806755 /nfs/dbraw/zinc/80/67/55/385806755.db2.gz ZBQOIUBLIVAECL-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc(CO)c2)C1 ZINC000616621798 385806759 /nfs/dbraw/zinc/80/67/59/385806759.db2.gz ZBQOIUBLIVAECL-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000336752101 386014079 /nfs/dbraw/zinc/01/40/79/386014079.db2.gz FUMAWWCNPJZQSH-HBNTYKKESA-N 2 2 214.353 1.197 10 0 BDAELP C[C@@H]1CC[NH2+][C@@]2(CCC[NH2+]CC2)S1 ZINC000575577488 386197479 /nfs/dbraw/zinc/19/74/79/386197479.db2.gz ZAGHNZMZBMKXBL-ZJUUUORDSA-N 2 2 200.351 1.571 10 0 BDAELP Cc1nc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)sc1C ZINC000415082506 386598286 /nfs/dbraw/zinc/59/82/86/386598286.db2.gz OMHULAOSKHUOSW-GXSJLCMTSA-N 2 2 239.388 1.848 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000396608672 386947355 /nfs/dbraw/zinc/94/73/55/386947355.db2.gz DALTUSMVXKMNLR-UHTWSYAYSA-N 2 2 248.374 1.528 10 0 BDAELP O[C@@H]1CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000398783189 386992050 /nfs/dbraw/zinc/99/20/50/386992050.db2.gz NYCVADWAFXAJRS-MGPQQGTHSA-N 2 2 249.358 1.366 10 0 BDAELP O[C@@H]1CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000398783189 386992060 /nfs/dbraw/zinc/99/20/60/386992060.db2.gz NYCVADWAFXAJRS-MGPQQGTHSA-N 2 2 249.358 1.366 10 0 BDAELP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000053201502 387020717 /nfs/dbraw/zinc/02/07/17/387020717.db2.gz XYJOZXAYBIBOIM-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000053201502 387020721 /nfs/dbraw/zinc/02/07/21/387020721.db2.gz XYJOZXAYBIBOIM-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@H]1C[NH2+][C@]2(CCC[NH2+]CC2)SC1 ZINC000575576859 387028569 /nfs/dbraw/zinc/02/85/69/387028569.db2.gz VYPXHASEMWSMNY-VHSXEESVSA-N 2 2 200.351 1.429 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000246382359 387081750 /nfs/dbraw/zinc/08/17/50/387081750.db2.gz JXNFIFMYFWDWHU-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000246382359 387081751 /nfs/dbraw/zinc/08/17/51/387081751.db2.gz JXNFIFMYFWDWHU-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](CC2SCCS2)C1 ZINC000575469987 387109849 /nfs/dbraw/zinc/10/98/49/387109849.db2.gz LOMALYCXGQNTLE-MRVPVSSYSA-N 2 2 218.391 1.216 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](CC2SCCS2)C1 ZINC000575469987 387109852 /nfs/dbraw/zinc/10/98/52/387109852.db2.gz LOMALYCXGQNTLE-MRVPVSSYSA-N 2 2 218.391 1.216 10 0 BDAELP C[C@@H]1C[NH2+][C@@]2(CC[NH2+][C@@H](C)C2)SC1 ZINC000575511374 387382908 /nfs/dbraw/zinc/38/29/08/387382908.db2.gz DHFSNLWNWWSTCG-UTLUCORTSA-N 2 2 200.351 1.427 10 0 BDAELP Cc1cnn(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000124106118 387605533 /nfs/dbraw/zinc/60/55/33/387605533.db2.gz CRHAVRLUMUVYKF-OLZOCXBDSA-N 2 2 248.374 1.406 10 0 BDAELP Cc1cnn(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000124106118 387605536 /nfs/dbraw/zinc/60/55/36/387605536.db2.gz CRHAVRLUMUVYKF-OLZOCXBDSA-N 2 2 248.374 1.406 10 0 BDAELP [NH3+][C@H]1CCCCC[N@@H+](C2CSC2)C1 ZINC000575547022 387636944 /nfs/dbraw/zinc/63/69/44/387636944.db2.gz WGIPXQSWNSNWFZ-VIFPVBQESA-N 2 2 200.351 1.305 10 0 BDAELP [NH3+][C@H]1CCCCC[N@H+](C2CSC2)C1 ZINC000575547022 387636946 /nfs/dbraw/zinc/63/69/46/387636946.db2.gz WGIPXQSWNSNWFZ-VIFPVBQESA-N 2 2 200.351 1.305 10 0 BDAELP c1cn(CCCN2CC[N@@H+]3CCCC[C@H]3C2)c[nH+]1 ZINC000245645108 387968873 /nfs/dbraw/zinc/96/88/73/387968873.db2.gz FNBJXDUATUOKJL-AWEZNQCLSA-N 2 2 248.374 1.443 10 0 BDAELP c1cn(CCCN2CC[N@H+]3CCCC[C@H]3C2)c[nH+]1 ZINC000245645108 387968876 /nfs/dbraw/zinc/96/88/76/387968876.db2.gz FNBJXDUATUOKJL-AWEZNQCLSA-N 2 2 248.374 1.443 10 0 BDAELP CC[C@@H]([NH3+])c1nc2c(s1)C[N@H+](C)CC2 ZINC000041059265 387984971 /nfs/dbraw/zinc/98/49/71/387984971.db2.gz KGONCQJJNGPCTH-SSDOTTSWSA-N 2 2 211.334 1.541 10 0 BDAELP CC[C@@H]([NH3+])c1nc2c(s1)C[N@@H+](C)CC2 ZINC000041059265 387984974 /nfs/dbraw/zinc/98/49/74/387984974.db2.gz KGONCQJJNGPCTH-SSDOTTSWSA-N 2 2 211.334 1.541 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630350 388093256 /nfs/dbraw/zinc/09/32/56/388093256.db2.gz ZDHITQDWNVBIEG-TUAOUCFPSA-N 2 2 240.391 1.730 10 0 BDAELP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)nc1 ZINC000334818858 388447535 /nfs/dbraw/zinc/44/75/35/388447535.db2.gz GZTJSDBQZALGMO-WCQYABFASA-N 2 2 219.332 1.620 10 0 BDAELP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000082949350 256750104 /nfs/dbraw/zinc/75/01/04/256750104.db2.gz JOJXIZGFYNPMLN-YFKTTZPYSA-N 2 2 226.364 1.340 10 0 BDAELP CCC[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C1)OC ZINC000378738192 388492569 /nfs/dbraw/zinc/49/25/69/388492569.db2.gz GRURFHJIZKZHKG-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C1)OC ZINC000378738192 388492572 /nfs/dbraw/zinc/49/25/72/388492572.db2.gz GRURFHJIZKZHKG-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[C@H](C[NH2+][C@H]1CC[NH2+]C1)OCC ZINC000530207322 388626498 /nfs/dbraw/zinc/62/64/98/388626498.db2.gz DDUJOKFSRVVSCN-WDEREUQCSA-N 2 2 200.326 1.143 10 0 BDAELP CCC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)OCC ZINC000530207316 388626879 /nfs/dbraw/zinc/62/68/79/388626879.db2.gz DDUJOKFSRVVSCN-GHMZBOCLSA-N 2 2 200.326 1.143 10 0 BDAELP CCCC[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035367753 132338136 /nfs/dbraw/zinc/33/81/36/132338136.db2.gz BXLJKFFGCNFTJG-UHFFFAOYSA-N 2 2 234.347 1.586 10 0 BDAELP CC[NH+]1CCN(c2[nH+]ccc(C)c2N)CC1 ZINC000036245167 132341261 /nfs/dbraw/zinc/34/12/61/132341261.db2.gz DWJVXTWOHWBBSZ-UHFFFAOYSA-N 2 2 220.320 1.114 10 0 BDAELP [NH3+][C@@H]1CCC[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040431800 132347728 /nfs/dbraw/zinc/34/77/28/132347728.db2.gz WYYOYWWJTSGFQN-HUUCEWRRSA-N 2 2 245.370 1.688 10 0 BDAELP [NH3+]CCC1CCN(c2cccc[nH+]2)CC1 ZINC000053705682 132363371 /nfs/dbraw/zinc/36/33/71/132363371.db2.gz HXPGMBDQUOVRIJ-UHFFFAOYSA-N 2 2 205.305 1.647 10 0 BDAELP Cc1nc(N2CCCC[C@H]2[C@@H](C)[NH3+])cc[nH+]1 ZINC000063196773 132389405 /nfs/dbraw/zinc/38/94/05/132389405.db2.gz WPFYDXHGNBJXPB-KOLCDFICSA-N 2 2 220.320 1.491 10 0 BDAELP C[C@@H]([NH3+])[C@@H](C)[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000336097133 134080721 /nfs/dbraw/zinc/08/07/21/134080721.db2.gz SOXJPYCZCCUBAS-HTQZYQBOSA-N 2 2 204.277 1.132 10 0 BDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]cn1C ZINC000179252294 134318939 /nfs/dbraw/zinc/31/89/39/134318939.db2.gz DKNHJPYAVYFDDJ-CHWSQXEVSA-N 2 2 248.374 1.479 10 0 BDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]cn1C ZINC000179252294 134318940 /nfs/dbraw/zinc/31/89/40/134318940.db2.gz DKNHJPYAVYFDDJ-CHWSQXEVSA-N 2 2 248.374 1.479 10 0 BDAELP CO[C@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000182216320 134343281 /nfs/dbraw/zinc/34/32/81/134343281.db2.gz XDRVYJYFKIYJGD-YPMHNXCESA-N 2 2 237.347 1.691 10 0 BDAELP CO[C@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000182216320 134343282 /nfs/dbraw/zinc/34/32/82/134343282.db2.gz XDRVYJYFKIYJGD-YPMHNXCESA-N 2 2 237.347 1.691 10 0 BDAELP [NH3+][C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC000261527271 135150758 /nfs/dbraw/zinc/15/07/58/135150758.db2.gz IYQVIYLVIGCNFX-UWVGGRQHSA-N 2 2 218.291 1.845 10 0 BDAELP Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000261552202 135191053 /nfs/dbraw/zinc/19/10/53/135191053.db2.gz MPWQXUIBWJFULE-WDEREUQCSA-N 2 2 234.347 1.834 10 0 BDAELP Cc1cnn(CC[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261556784 135197240 /nfs/dbraw/zinc/19/72/40/135197240.db2.gz RBRGEDCHGVXBNS-AAEUAGOBSA-N 2 2 236.363 1.251 10 0 BDAELP Cc1cnn(CC[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000261556784 135197241 /nfs/dbraw/zinc/19/72/41/135197241.db2.gz RBRGEDCHGVXBNS-AAEUAGOBSA-N 2 2 236.363 1.251 10 0 BDAELP Cc1cc(N2CC[C@H]([NH3+])C(C)(C)C2)nc[nH+]1 ZINC000261565655 135207489 /nfs/dbraw/zinc/20/74/89/135207489.db2.gz DCERXJSCGDGCGK-JTQLQIEISA-N 2 2 220.320 1.349 10 0 BDAELP Cc1[nH]c(CN(C)C[C@@H]2CC[N@H+](C)C2)[nH+]c1C ZINC000628243143 397732823 /nfs/dbraw/zinc/73/28/23/397732823.db2.gz FKOOXNMZGHKQFQ-GFCCVEGCSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1[nH]c(CN(C)C[C@@H]2CC[N@@H+](C)C2)[nH+]c1C ZINC000628243143 397732826 /nfs/dbraw/zinc/73/28/26/397732826.db2.gz FKOOXNMZGHKQFQ-GFCCVEGCSA-N 2 2 236.363 1.410 10 0 BDAELP CNc1ccc([C@H]2COCC[N@H+](CC[NH3+])C2)cc1 ZINC000616662658 397917160 /nfs/dbraw/zinc/91/71/60/397917160.db2.gz DDGRIFAKBUEACD-CYBMUJFWSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1ccc([C@H]2COCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616662658 397917163 /nfs/dbraw/zinc/91/71/63/397917163.db2.gz DDGRIFAKBUEACD-CYBMUJFWSA-N 2 2 249.358 1.103 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCCOCC1 ZINC000061935927 167112501 /nfs/dbraw/zinc/11/25/01/167112501.db2.gz SEGFTQNLFFKOCX-NSHDSACASA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@H+]1CCCOCC1 ZINC000061935927 167112503 /nfs/dbraw/zinc/11/25/03/167112503.db2.gz SEGFTQNLFFKOCX-NSHDSACASA-N 2 2 200.326 1.095 10 0 BDAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(CCO)CCCC1 ZINC000660684643 409549329 /nfs/dbraw/zinc/54/93/29/409549329.db2.gz YDYRYISLRGSFRD-GFCCVEGCSA-N 2 2 226.364 1.365 10 0 BDAELP C[N@H+]1CCC[C@@H]1C[NH2+]C1(CCO)CCCC1 ZINC000660684643 409549334 /nfs/dbraw/zinc/54/93/34/409549334.db2.gz YDYRYISLRGSFRD-GFCCVEGCSA-N 2 2 226.364 1.365 10 0 BDAELP C[C@H]([NH3+])[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000132887717 409978836 /nfs/dbraw/zinc/97/88/36/409978836.db2.gz ZALPXQFBOCFGQK-JOYOIKCWSA-N 2 2 246.314 1.115 10 0 BDAELP COc1ccc[nH+]c1N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000128325383 410249317 /nfs/dbraw/zinc/24/93/17/410249317.db2.gz JBPQFZCJCBLZGX-QWRGUYRKSA-N 2 2 235.331 1.890 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCOC[C@@H]1C ZINC000051216772 167003399 /nfs/dbraw/zinc/00/33/99/167003399.db2.gz PXQAIINAKZMBTB-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCOC[C@@H]1C ZINC000051216772 167003401 /nfs/dbraw/zinc/00/34/01/167003401.db2.gz PXQAIINAKZMBTB-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCCSCC1 ZINC000052370982 167112989 /nfs/dbraw/zinc/11/29/89/167112989.db2.gz OZRRFNWPJCZASN-NSHDSACASA-N 2 2 216.394 1.812 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@H+]1CCCSCC1 ZINC000052370982 167112994 /nfs/dbraw/zinc/11/29/94/167112994.db2.gz OZRRFNWPJCZASN-NSHDSACASA-N 2 2 216.394 1.812 10 0 BDAELP CC(C)[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000336678968 167133813 /nfs/dbraw/zinc/13/38/13/167133813.db2.gz QRYPZPSSFYDRGV-ZYHUDNBSSA-N 2 2 223.320 1.638 10 0 BDAELP CC(C)[C@@H](C)N(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000036787029 167370795 /nfs/dbraw/zinc/37/07/95/167370795.db2.gz RDRFRZZFXZIHTI-TZMCWYRMSA-N 2 2 239.407 1.386 10 0 BDAELP Cc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])cc[nH+]1 ZINC000069727474 411360041 /nfs/dbraw/zinc/36/00/41/411360041.db2.gz NQLMTYCOHHHFHY-ONGXEEELSA-N 2 2 220.320 1.349 10 0 BDAELP CC1CCC(C[NH3+])([NH+]2CCOCC2)CC1 ZINC000019428749 168153162 /nfs/dbraw/zinc/15/31/62/168153162.db2.gz ZIAVZVYQXFTILI-UHFFFAOYSA-N 2 2 212.337 1.226 10 0 BDAELP CC1CCC(C[NH3+])([N@@H+]2CCOC[C@H]2C)CC1 ZINC000035775017 168153457 /nfs/dbraw/zinc/15/34/57/168153457.db2.gz XOXMBQCSNVOWTH-OTTFEQOBSA-N 2 2 226.364 1.615 10 0 BDAELP CC1CCC(C[NH3+])([N@H+]2CCOC[C@H]2C)CC1 ZINC000035775017 168153460 /nfs/dbraw/zinc/15/34/60/168153460.db2.gz XOXMBQCSNVOWTH-OTTFEQOBSA-N 2 2 226.364 1.615 10 0 BDAELP CC[C@@H]1CN(c2cccc[nH+]2)CC[C@@H]1[NH3+] ZINC000122960755 411436676 /nfs/dbraw/zinc/43/66/76/411436676.db2.gz RWJJIOSJBZUGMA-MNOVXSKESA-N 2 2 205.305 1.645 10 0 BDAELP CC[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1[NH3+] ZINC000122923430 411436723 /nfs/dbraw/zinc/43/67/23/411436723.db2.gz KIQCTMDKZCHJAD-MNOVXSKESA-N 2 2 220.320 1.349 10 0 BDAELP O[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657327137 411466126 /nfs/dbraw/zinc/46/61/26/411466126.db2.gz UUIYHQGQBVTJPK-CMPLNLGQSA-N 2 2 235.331 1.222 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@@H](COC)C2CC2)[C@@H](C)C1 ZINC000309835928 170036685 /nfs/dbraw/zinc/03/66/85/170036685.db2.gz BBRVPIPVZRUAOV-DRZSPHRISA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](COC)C2CC2)[C@@H](C)C1 ZINC000309835928 170036686 /nfs/dbraw/zinc/03/66/86/170036686.db2.gz BBRVPIPVZRUAOV-DRZSPHRISA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCOCC2)[C@@H](C)C1 ZINC000309950056 170036771 /nfs/dbraw/zinc/03/67/71/170036771.db2.gz FSCPLAQIWOMCEO-XQQFMLRXSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCOCC2)[C@@H](C)C1 ZINC000309950056 170036772 /nfs/dbraw/zinc/03/67/72/170036772.db2.gz FSCPLAQIWOMCEO-XQQFMLRXSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000336775995 170038417 /nfs/dbraw/zinc/03/84/17/170038417.db2.gz DHVPLZVDJKQNKJ-YNEHKIRRSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000336775995 170038420 /nfs/dbraw/zinc/03/84/20/170038420.db2.gz DHVPLZVDJKQNKJ-YNEHKIRRSA-N 2 2 226.364 1.343 10 0 BDAELP CCNC(=O)C[N@H+](CC)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042370630 170057618 /nfs/dbraw/zinc/05/76/18/170057618.db2.gz YOCXEEIXBPQBDP-RYUDHWBXSA-N 2 2 241.379 1.104 10 0 BDAELP CCNC(=O)C[N@@H+](CC)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042370630 170057619 /nfs/dbraw/zinc/05/76/19/170057619.db2.gz YOCXEEIXBPQBDP-RYUDHWBXSA-N 2 2 241.379 1.104 10 0 BDAELP CC[NH2+]C[C@@H](C(C)C)N1CCn2cc[nH+]c2C1 ZINC000062325626 170118448 /nfs/dbraw/zinc/11/84/48/170118448.db2.gz JZTWOFYJZAMAMV-LBPRGKRZSA-N 2 2 236.363 1.333 10 0 BDAELP CC[NH2+]C[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061935561 170119436 /nfs/dbraw/zinc/11/94/36/170119436.db2.gz WIFVWYMVCIMFIM-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+]C[C@@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061935561 170119438 /nfs/dbraw/zinc/11/94/38/170119438.db2.gz WIFVWYMVCIMFIM-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+]C[C@H](C(C)C)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540084 170120629 /nfs/dbraw/zinc/12/06/29/170120629.db2.gz VJCOFXNQURVVOE-MJBXVCDLSA-N 2 2 240.391 1.874 10 0 BDAELP CC[NH2+]C[C@H](C(C)C)[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000052540084 170120631 /nfs/dbraw/zinc/12/06/31/170120631.db2.gz VJCOFXNQURVVOE-MJBXVCDLSA-N 2 2 240.391 1.874 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@@H+]1CCCOCC1 ZINC000061917859 170150592 /nfs/dbraw/zinc/15/05/92/170150592.db2.gz LLTFYPKGVYQEAF-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@@H]1[N@H+]1CCCOCC1 ZINC000061917859 170150593 /nfs/dbraw/zinc/15/05/93/170150593.db2.gz LLTFYPKGVYQEAF-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1CN1CCn2cc[nH+]c2C1 ZINC000062322308 170151031 /nfs/dbraw/zinc/15/10/31/170151031.db2.gz PXZLFBHJJARYDS-CHWSQXEVSA-N 2 2 248.374 1.477 10 0 BDAELP CC[NH2+][C@@]1(C[NH3+])CCCc2ccccc21 ZINC000050270258 170156138 /nfs/dbraw/zinc/15/61/38/170156138.db2.gz WRMVJVZHKJGZAM-CYBMUJFWSA-N 2 2 204.317 1.786 10 0 BDAELP CCNc1cc(Cn2cc[nH+]c2)cc[nH+]1 ZINC000052732304 170172814 /nfs/dbraw/zinc/17/28/14/170172814.db2.gz ICJVXFRPNZJHIQ-UHFFFAOYSA-N 2 2 202.261 1.758 10 0 BDAELP CCOCCC[NH2+]C[C@H](C)[N@@H+]1CCCOCC1 ZINC000061936641 170380522 /nfs/dbraw/zinc/38/05/22/170380522.db2.gz JOBYPVPABWGWLH-ZDUSSCGKSA-N 2 2 244.379 1.113 10 0 BDAELP CCOCCC[NH2+]C[C@H](C)[N@H+]1CCCOCC1 ZINC000061936641 170380523 /nfs/dbraw/zinc/38/05/23/170380523.db2.gz JOBYPVPABWGWLH-ZDUSSCGKSA-N 2 2 244.379 1.113 10 0 BDAELP CCOCCC[NH2+]CC[N@H+](CC)CCOCC ZINC000104195584 170380817 /nfs/dbraw/zinc/38/08/17/170380817.db2.gz XXYLUQNCLKZZRA-UHFFFAOYSA-N 2 2 246.395 1.361 10 0 BDAELP CCOCCC[NH2+]CC[N@@H+](CC)CCOCC ZINC000104195584 170380818 /nfs/dbraw/zinc/38/08/18/170380818.db2.gz XXYLUQNCLKZZRA-UHFFFAOYSA-N 2 2 246.395 1.361 10 0 BDAELP CC[N@@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616594639 411857850 /nfs/dbraw/zinc/85/78/50/411857850.db2.gz QWRGJABWRADNLN-LLVKDONJSA-N 2 2 221.304 1.447 10 0 BDAELP CC[N@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616594639 411857852 /nfs/dbraw/zinc/85/78/52/411857852.db2.gz QWRGJABWRADNLN-LLVKDONJSA-N 2 2 221.304 1.447 10 0 BDAELP CC(C)[N@@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616594621 411871780 /nfs/dbraw/zinc/87/17/80/411871780.db2.gz GTCLBTICFRVRPV-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616594621 411871783 /nfs/dbraw/zinc/87/17/83/411871783.db2.gz GTCLBTICFRVRPV-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CC[C@@H]1CC[N@H+](Cc2cnc(C)cn2)CCC[NH2+]1 ZINC000061322542 171011295 /nfs/dbraw/zinc/01/12/95/171011295.db2.gz AYJWPIUFOPFCOI-CYBMUJFWSA-N 2 2 248.374 1.749 10 0 BDAELP CC[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)CCC[NH2+]1 ZINC000061322542 171011301 /nfs/dbraw/zinc/01/13/01/171011301.db2.gz AYJWPIUFOPFCOI-CYBMUJFWSA-N 2 2 248.374 1.749 10 0 BDAELP CC[C@H](C)NC(=O)CC[NH2+]CC[NH+](CC)CC ZINC000038014774 171322432 /nfs/dbraw/zinc/32/24/32/171322432.db2.gz UPRGRJDEPJCSBW-LBPRGKRZSA-N 2 2 243.395 1.223 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020071792 171372752 /nfs/dbraw/zinc/37/27/52/171372752.db2.gz AEOMCVPJECVQNP-YFKTTZPYSA-N 2 2 214.353 1.469 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020071792 171372753 /nfs/dbraw/zinc/37/27/53/171372753.db2.gz AEOMCVPJECVQNP-YFKTTZPYSA-N 2 2 214.353 1.469 10 0 BDAELP c1ccc2[nH+]c(NCC34CC(C3)C[NH2+]4)[nH]c2c1 ZINC000663273896 412404425 /nfs/dbraw/zinc/40/44/25/412404425.db2.gz KLCQGIFSFMSASB-UHFFFAOYSA-N 2 2 228.299 1.727 10 0 BDAELP CCc1nc(N2CC[C@H]([NH3+])C2)c(C)c(C)[nH+]1 ZINC000045954739 171953238 /nfs/dbraw/zinc/95/32/38/171953238.db2.gz LEULPISDJGOTTK-JTQLQIEISA-N 2 2 220.320 1.193 10 0 BDAELP CCc1[nH+]c2ccccc2n1CC[NH2+]C ZINC000049474498 172013273 /nfs/dbraw/zinc/01/32/73/172013273.db2.gz GKULBOQWOQARNX-UHFFFAOYSA-N 2 2 203.289 1.818 10 0 BDAELP CCc1[nH+]ccn1Cc1cc[nH+]c(NC)c1 ZINC000052733956 172027342 /nfs/dbraw/zinc/02/73/42/172027342.db2.gz MREJIFRKSZKXER-UHFFFAOYSA-N 2 2 216.288 1.931 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC000044562234 173004177 /nfs/dbraw/zinc/00/41/77/173004177.db2.gz SBDGMNFUBQSUAZ-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC000044562234 173004179 /nfs/dbraw/zinc/00/41/79/173004179.db2.gz SBDGMNFUBQSUAZ-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1(CO)CCCC1 ZINC000054243953 173005840 /nfs/dbraw/zinc/00/58/40/173005840.db2.gz GZWYZKCGESGAKX-GFCCVEGCSA-N 2 2 226.364 1.365 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1(CO)CCCC1 ZINC000054243953 173005842 /nfs/dbraw/zinc/00/58/42/173005842.db2.gz GZWYZKCGESGAKX-GFCCVEGCSA-N 2 2 226.364 1.365 10 0 BDAELP C[NH2+]C1(c2nc(C)c(C)s2)CC[NH+](C)CC1 ZINC000041060614 173322244 /nfs/dbraw/zinc/32/22/44/173322244.db2.gz WEBRNSRRQQBTEZ-UHFFFAOYSA-N 2 2 239.388 1.900 10 0 BDAELP C[NH2+]Cc1coc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000052382576 173393097 /nfs/dbraw/zinc/39/30/97/173393097.db2.gz OFQKKWDXTIBBQK-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1coc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000052382576 173393099 /nfs/dbraw/zinc/39/30/99/173393099.db2.gz OFQKKWDXTIBBQK-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+][C@@H](Cc1[nH]cc[nH+]1)Cc1ccc(F)cc1 ZINC000035504039 173454093 /nfs/dbraw/zinc/45/40/93/173454093.db2.gz CVPCLIFCLBJVMR-GFCCVEGCSA-N 2 2 233.290 1.922 10 0 BDAELP COC1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC000037266523 174028470 /nfs/dbraw/zinc/02/84/70/174028470.db2.gz JPAPNNIXAGNPKC-LLVKDONJSA-N 2 2 212.337 1.239 10 0 BDAELP COC1CC[NH+](Cc2csc(C[NH3+])n2)CC1 ZINC000052455295 174031037 /nfs/dbraw/zinc/03/10/37/174031037.db2.gz IICRTWFZVSNZMJ-UHFFFAOYSA-N 2 2 241.360 1.213 10 0 BDAELP COCC[N@H+](C)[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966999 174283879 /nfs/dbraw/zinc/28/38/79/174283879.db2.gz GSCQXZZOGRFDJA-JSGCOSHPSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966999 174283882 /nfs/dbraw/zinc/28/38/82/174283882.db2.gz GSCQXZZOGRFDJA-JSGCOSHPSA-N 2 2 236.359 1.962 10 0 BDAELP COc1cc(OC)cc([C@@H](C[NH3+])[NH2+]C2CC2)c1 ZINC000050271279 175011408 /nfs/dbraw/zinc/01/14/08/175011408.db2.gz MYGWCJWIESJCLZ-CYBMUJFWSA-N 2 2 236.315 1.456 10 0 BDAELP COc1ccc(-c2cn3c([nH+]2)CC[C@@H]([NH3+])C3)cc1 ZINC000079776647 175035892 /nfs/dbraw/zinc/03/58/92/175035892.db2.gz WOZVMKDJPAJNQV-LLVKDONJSA-N 2 2 243.310 1.832 10 0 BDAELP COc1ccc(C[C@@H]([NH3+])C[NH+](C)C)c(OC)c1 ZINC000071548925 175115470 /nfs/dbraw/zinc/11/54/70/175115470.db2.gz QSJPUSVWNOEMNK-LLVKDONJSA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc(OC)c(C[C@H]([NH3+])C[NH+](C)C)c1 ZINC000071548924 175166167 /nfs/dbraw/zinc/16/61/67/175166167.db2.gz SQTVLGCQOFCVAM-NSHDSACASA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc([C@@H]([NH3+])C[NH3+])c(Cl)c1 ZINC000072200574 175179764 /nfs/dbraw/zinc/17/97/64/175179764.db2.gz RJWVZCSZSHXQQG-VIFPVBQESA-N 2 2 200.669 1.307 10 0 BDAELP COc1ccc([C@@H]([C@H](C)[NH3+])n2cc[nH+]c2)cc1 ZINC000042962235 175182052 /nfs/dbraw/zinc/18/20/52/175182052.db2.gz NXUADRIVWJVLBY-GXFFZTMASA-N 2 2 231.299 1.828 10 0 BDAELP COc1cccc(OC[C@@](C)(C[NH3+])[NH+](C)C)c1 ZINC000019667443 175284464 /nfs/dbraw/zinc/28/44/64/175284464.db2.gz CJWKJSIYCHAQTD-CYBMUJFWSA-N 2 2 238.331 1.353 10 0 BDAELP COc1cccc([C@@H]([C@H](C)[NH3+])[NH+](C)C)c1 ZINC000043025960 175289837 /nfs/dbraw/zinc/28/98/37/175289837.db2.gz GPWGPSVFBWKMIQ-JOYOIKCWSA-N 2 2 208.305 1.645 10 0 BDAELP COc1ccccc1C[N@H+](C)C(C)(C)C[NH3+] ZINC000020226821 175324103 /nfs/dbraw/zinc/32/41/03/175324103.db2.gz WDLQEVMMXGRHHO-UHFFFAOYSA-N 2 2 222.332 1.864 10 0 BDAELP COc1ccccc1C[N@@H+](C)C(C)(C)C[NH3+] ZINC000020226821 175324104 /nfs/dbraw/zinc/32/41/04/175324104.db2.gz WDLQEVMMXGRHHO-UHFFFAOYSA-N 2 2 222.332 1.864 10 0 BDAELP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000095068290 176028392 /nfs/dbraw/zinc/02/83/92/176028392.db2.gz GIMFWFPUAQUKAV-WDEREUQCSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC000095068290 176028393 /nfs/dbraw/zinc/02/83/93/176028393.db2.gz GIMFWFPUAQUKAV-WDEREUQCSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000044982848 176172453 /nfs/dbraw/zinc/17/24/53/176172453.db2.gz CQSSERRTPFLLFH-NEPJUHHUSA-N 2 2 212.337 1.097 10 0 BDAELP C[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000044982848 176172454 /nfs/dbraw/zinc/17/24/54/176172454.db2.gz CQSSERRTPFLLFH-NEPJUHHUSA-N 2 2 212.337 1.097 10 0 BDAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000044372466 176180937 /nfs/dbraw/zinc/18/09/37/176180937.db2.gz RZQZNVBJGOVWFA-PWSUYJOCSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000044372466 176180938 /nfs/dbraw/zinc/18/09/38/176180938.db2.gz RZQZNVBJGOVWFA-PWSUYJOCSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@@H]1CC[NH2+]C[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000335655998 176186380 /nfs/dbraw/zinc/18/63/80/176186380.db2.gz GWKNEEFVDVUEFM-ZYHUDNBSSA-N 2 2 244.342 1.983 10 0 BDAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ncccn1 ZINC000054460292 176224395 /nfs/dbraw/zinc/22/43/95/176224395.db2.gz AMZXIBDOSNOIKW-GHMZBOCLSA-N 2 2 220.320 1.036 10 0 BDAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ncccn1 ZINC000054460292 176224396 /nfs/dbraw/zinc/22/43/96/176224396.db2.gz AMZXIBDOSNOIKW-GHMZBOCLSA-N 2 2 220.320 1.036 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000309750804 176274302 /nfs/dbraw/zinc/27/43/02/176274302.db2.gz GQTDRISCAZHIJC-LPWJVIDDSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000309750804 176274303 /nfs/dbraw/zinc/27/43/03/176274303.db2.gz GQTDRISCAZHIJC-LPWJVIDDSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068372 176859838 /nfs/dbraw/zinc/85/98/38/176859838.db2.gz OPGHEEIQYQIDLS-WDEREUQCSA-N 2 2 220.320 1.127 10 0 BDAELP C[C@H]1CCC[C@](CO)([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054765356 177143391 /nfs/dbraw/zinc/14/33/91/177143391.db2.gz DRBFMKLTIBNZQG-JQWIXIFHSA-N 2 2 223.320 1.441 10 0 BDAELP C[C@H]1CC[NH2+]C[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000335655996 177174289 /nfs/dbraw/zinc/17/42/89/177174289.db2.gz GWKNEEFVDVUEFM-JQWIXIFHSA-N 2 2 244.342 1.983 10 0 BDAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561786 177237932 /nfs/dbraw/zinc/23/79/32/177237932.db2.gz BZDAPBXJNLWRRT-IONNQARKSA-N 2 2 204.264 1.324 10 0 BDAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561786 177237933 /nfs/dbraw/zinc/23/79/33/177237933.db2.gz BZDAPBXJNLWRRT-IONNQARKSA-N 2 2 204.264 1.324 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH3+])co2)C[C@H](C)O1 ZINC000052380625 177261047 /nfs/dbraw/zinc/26/10/47/177261047.db2.gz IJYKEBMIVNADBH-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cc(C[NH3+])co2)C[C@H](C)O1 ZINC000052380625 177261048 /nfs/dbraw/zinc/26/10/48/177261048.db2.gz IJYKEBMIVNADBH-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[N@@H+]([C@@](C)(C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664367 177275437 /nfs/dbraw/zinc/27/54/37/177275437.db2.gz FQSULXKBWHKRCU-GWCFXTLKSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@H]1C[N@H+]([C@@](C)(C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664367 177275438 /nfs/dbraw/zinc/27/54/38/177275438.db2.gz FQSULXKBWHKRCU-GWCFXTLKSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@H]1COCC[N@@H+]1CC1([NH3+])CCCCC1 ZINC000035776837 177291221 /nfs/dbraw/zinc/29/12/21/177291221.db2.gz CXHVZPHOWWCCNL-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H]1COCC[N@H+]1CC1([NH3+])CCCCC1 ZINC000035776837 177291222 /nfs/dbraw/zinc/29/12/22/177291222.db2.gz CXHVZPHOWWCCNL-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H](c1ccncc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360356 487945642 /nfs/dbraw/zinc/94/56/42/487945642.db2.gz DQRVGVNJBYKRBC-FOGDFJRCSA-N 2 2 205.305 1.422 10 0 BDAELP C[C@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360356 487945648 /nfs/dbraw/zinc/94/56/48/487945648.db2.gz DQRVGVNJBYKRBC-FOGDFJRCSA-N 2 2 205.305 1.422 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684504 323036767 /nfs/dbraw/zinc/03/67/67/323036767.db2.gz GWMBBIBUZAYBJV-RDBSUJKOSA-N 3 2 241.423 1.693 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684504 323036768 /nfs/dbraw/zinc/03/67/68/323036768.db2.gz GWMBBIBUZAYBJV-RDBSUJKOSA-N 3 2 241.423 1.693 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)co1 ZINC000310461066 488028705 /nfs/dbraw/zinc/02/87/05/488028705.db2.gz FHBPYVWWNPMGEB-WCQGTBRESA-N 2 2 221.304 1.152 10 0 BDAELP Cc1nc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)co1 ZINC000310461066 488028711 /nfs/dbraw/zinc/02/87/11/488028711.db2.gz FHBPYVWWNPMGEB-WCQGTBRESA-N 2 2 221.304 1.152 10 0 BDAELP Cc1c(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cnn1C ZINC000227566344 488032254 /nfs/dbraw/zinc/03/22/54/488032254.db2.gz GIENFDDOLXBUKV-GXFFZTMASA-N 2 2 236.363 1.288 10 0 BDAELP Cc1c(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cnn1C ZINC000227566344 488032257 /nfs/dbraw/zinc/03/22/57/488032257.db2.gz GIENFDDOLXBUKV-GXFFZTMASA-N 2 2 236.363 1.288 10 0 BDAELP Cc1nc(NCCC2CC[NH2+]CC2)cc[nH+]1 ZINC000257667155 488078001 /nfs/dbraw/zinc/07/80/01/488078001.db2.gz ZPKRJOUZORPGJW-UHFFFAOYSA-N 2 2 220.320 1.587 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500365 488099683 /nfs/dbraw/zinc/09/96/83/488099683.db2.gz BXFAXYYTXVQARX-NDBYEHHHSA-N 2 2 208.349 1.859 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500365 488099690 /nfs/dbraw/zinc/09/96/90/488099690.db2.gz BXFAXYYTXVQARX-NDBYEHHHSA-N 2 2 208.349 1.859 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000398549584 488221412 /nfs/dbraw/zinc/22/14/12/488221412.db2.gz YVJBFUPUBCQTBB-RYUDHWBXSA-N 2 2 214.353 1.221 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000398549584 488221414 /nfs/dbraw/zinc/22/14/14/488221414.db2.gz YVJBFUPUBCQTBB-RYUDHWBXSA-N 2 2 214.353 1.221 10 0 BDAELP Cc1nnc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615491 490176477 /nfs/dbraw/zinc/17/64/77/490176477.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 2 2 249.362 1.045 10 0 BDAELP Cc1nnc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615491 490176483 /nfs/dbraw/zinc/17/64/83/490176483.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 2 2 249.362 1.045 10 0 BDAELP Cc1n[nH]c([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n1 ZINC000584615491 490176487 /nfs/dbraw/zinc/17/64/87/490176487.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 2 2 249.362 1.045 10 0 BDAELP Cc1n[nH]c([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC000584615491 490176493 /nfs/dbraw/zinc/17/64/93/490176493.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 2 2 249.362 1.045 10 0 BDAELP Cc1nc([C@@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000584615491 490176498 /nfs/dbraw/zinc/17/64/98/490176498.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 2 2 249.362 1.045 10 0 BDAELP Cc1nc([C@@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000584615491 490176504 /nfs/dbraw/zinc/17/65/04/490176504.db2.gz XEWSXZGOOYPSSU-LLVKDONJSA-N 2 2 249.362 1.045 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000078642288 490205425 /nfs/dbraw/zinc/20/54/25/490205425.db2.gz VIWWLRPWHLXTGU-CQSZACIVSA-N 2 2 240.391 1.877 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2CCCCC2)C1 ZINC000078642288 490205430 /nfs/dbraw/zinc/20/54/30/490205430.db2.gz VIWWLRPWHLXTGU-CQSZACIVSA-N 2 2 240.391 1.877 10 0 BDAELP CC(C)c1nc(N2CC[C@H]2C[NH3+])cc[nH+]1 ZINC000757139161 582519438 /nfs/dbraw/zinc/51/94/38/582519438.db2.gz ACCZKBGRTFTMHV-VIFPVBQESA-N 2 2 206.293 1.137 10 0 BDAELP CCn1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261561443 536057124 /nfs/dbraw/zinc/05/71/24/536057124.db2.gz VLWZYUDISGJWDL-GFCCVEGCSA-N 2 2 236.363 1.462 10 0 BDAELP CCn1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261561443 536057127 /nfs/dbraw/zinc/05/71/27/536057127.db2.gz VLWZYUDISGJWDL-GFCCVEGCSA-N 2 2 236.363 1.462 10 0 BDAELP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000400350008 528531569 /nfs/dbraw/zinc/53/15/69/528531569.db2.gz JRFYCFGKHUAAIM-BFHYXJOUSA-N 3 2 241.423 1.550 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124917 582500067 /nfs/dbraw/zinc/50/00/67/582500067.db2.gz COTBLQBOZHRQSR-QJPTWQEYSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757124917 582500068 /nfs/dbraw/zinc/50/00/68/582500068.db2.gz COTBLQBOZHRQSR-QJPTWQEYSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757133895 582510484 /nfs/dbraw/zinc/51/04/84/582510484.db2.gz VMMPYNOTRYCLQZ-WOPDTQHZSA-N 2 2 214.328 1.808 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757133895 582510486 /nfs/dbraw/zinc/51/04/86/582510486.db2.gz VMMPYNOTRYCLQZ-WOPDTQHZSA-N 2 2 214.328 1.808 10 0 BDAELP [NH3+]C[C@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000757155943 582539647 /nfs/dbraw/zinc/53/96/47/582539647.db2.gz JDRQYOSDJRNKNY-RKDXNWHRSA-N 2 2 204.264 1.455 10 0 BDAELP [NH3+]C[C@H]1CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000757155943 582539649 /nfs/dbraw/zinc/53/96/49/582539649.db2.gz JDRQYOSDJRNKNY-RKDXNWHRSA-N 2 2 204.264 1.455 10 0 BDAELP CC(=O)c1cccc([C@H]2[NH2+]CCC[C@@H]2[NH3+])c1 ZINC000757218642 582562524 /nfs/dbraw/zinc/56/25/24/582562524.db2.gz WPAROQATXDJGCK-QWHCGFSZSA-N 2 2 218.300 1.641 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]C[C@H]([NH3+])C[C@H]2C)c1 ZINC000757218535 582562706 /nfs/dbraw/zinc/56/27/06/582562706.db2.gz VQYPNSVNZLEOLW-OWYVNGRQSA-N 2 2 232.327 1.887 10 0 BDAELP CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1c[nH+]c[nH]1 ZINC000757189390 586435122 /nfs/dbraw/zinc/43/51/22/586435122.db2.gz NOOKYKBOGJVRLT-BDAKNGLRSA-N 2 2 237.303 1.054 10 0 BDAELP C[C@@H]1C[C@@H](c2ccc(C=O)s2)[NH2+]C[C@@H]1[NH3+] ZINC000757210647 586438289 /nfs/dbraw/zinc/43/82/89/586438289.db2.gz GMAQZPAKPPXIOM-JEZHCXPESA-N 2 2 224.329 1.558 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@H]([NH3+])C1 ZINC000757213601 586439904 /nfs/dbraw/zinc/43/99/04/586439904.db2.gz LCZIXMTWAXAYFZ-BIMULSAOSA-N 3 2 219.332 1.143 10 0 BDAELP [NH3+][C@H]1CC[C@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757216090 586440905 /nfs/dbraw/zinc/44/09/05/586440905.db2.gz PEEHWQJLZIYPNI-NWDGAFQWSA-N 2 2 204.273 1.251 10 0 BDAELP CC(C)c1nc(NC2CC[NH2+]CC2)cc[nH+]1 ZINC000212411628 591394977 /nfs/dbraw/zinc/39/49/77/591394977.db2.gz JLTXNWUKYLERMO-UHFFFAOYSA-N 2 2 220.320 1.764 10 0 BDAELP Cc1[nH]c2ccc(NC(=O)C3CC([NH3+])C3)cc2[nH+]1 ZINC000258693534 631584839 /nfs/dbraw/zinc/58/48/39/631584839.db2.gz KHPDXUURSYYFKD-UHFFFAOYSA-N 2 2 244.298 1.547 10 0 BDAELP CCc1nc(N2CCCC[C@@H]2C[NH2+]C)cc(C)[nH+]1 ZINC000310646172 632839034 /nfs/dbraw/zinc/83/90/34/632839034.db2.gz DYRVWUSZLVFSLQ-GFCCVEGCSA-N 2 2 248.374 1.926 10 0 BDAELP CC[NH+](CC)CCn1cc[nH+]c1[C@@H]1CCOC1 ZINC000067489917 635191926 /nfs/dbraw/zinc/19/19/26/635191926.db2.gz UBNNQRGVBWCZNB-GFCCVEGCSA-N 2 2 237.347 1.729 10 0 BDAELP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(NC)[nH+]cn1 ZINC000156850409 640512721 /nfs/dbraw/zinc/51/27/21/640512721.db2.gz IATAHBBEEOSCNJ-NSHDSACASA-N 2 2 249.362 1.439 10 0 BDAELP CC[N@H+]1CCC[C@H]1CN(C)c1cc(NC)[nH+]cn1 ZINC000156850409 640512728 /nfs/dbraw/zinc/51/27/28/640512728.db2.gz IATAHBBEEOSCNJ-NSHDSACASA-N 2 2 249.362 1.439 10 0 BDAELP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]1C[NH3+] ZINC000757144222 643315774 /nfs/dbraw/zinc/31/57/74/643315774.db2.gz IHOWOUOJIMFVIG-GFCCVEGCSA-N 2 2 204.317 1.836 10 0 BDAELP Cc1cccc(C)c1C[N@H+]1CC[C@@H]1C[NH3+] ZINC000757144222 643315777 /nfs/dbraw/zinc/31/57/77/643315777.db2.gz IHOWOUOJIMFVIG-GFCCVEGCSA-N 2 2 204.317 1.836 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250820557 643376492 /nfs/dbraw/zinc/37/64/92/643376492.db2.gz RVVLAKYTNMYFKE-UPJWGTAASA-N 2 2 202.301 1.576 10 0 BDAELP [NH3+][C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000250820557 643376496 /nfs/dbraw/zinc/37/64/96/643376496.db2.gz RVVLAKYTNMYFKE-UPJWGTAASA-N 2 2 202.301 1.576 10 0 BDAELP CCOC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc[nH+]c1 ZINC000082800120 643381837 /nfs/dbraw/zinc/38/18/37/643381837.db2.gz ARYQAEGUGFLWIS-KOLCDFICSA-N 2 2 225.292 1.115 10 0 BDAELP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2)O1 ZINC000722387908 711753068 /nfs/dbraw/zinc/75/30/68/711753068.db2.gz ALWRZFJJRVBIBG-CIUDSAMLSA-N 2 2 238.253 1.048 10 0 BDAELP CC(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000700758735 712004558 /nfs/dbraw/zinc/00/45/58/712004558.db2.gz CCEZRRRXRNWTOF-QJPTWQEYSA-N 2 2 249.358 1.967 10 0 BDAELP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000700758735 712004560 /nfs/dbraw/zinc/00/45/60/712004560.db2.gz CCEZRRRXRNWTOF-QJPTWQEYSA-N 2 2 249.358 1.967 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1C[NH3+] ZINC000708894598 712202762 /nfs/dbraw/zinc/20/27/62/712202762.db2.gz YJDUCVNCKDMTSX-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1C[NH3+] ZINC000708894598 712202765 /nfs/dbraw/zinc/20/27/65/712202765.db2.gz YJDUCVNCKDMTSX-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nccn3C3CC3)C[C@@H]12 ZINC000711804090 712331652 /nfs/dbraw/zinc/33/16/52/712331652.db2.gz HUMYXPMPVCTKGI-RAIGVLPGSA-N 2 2 246.358 1.387 10 0 BDAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nccn3C3CC3)C[C@@H]12 ZINC000711804090 712331655 /nfs/dbraw/zinc/33/16/55/712331655.db2.gz HUMYXPMPVCTKGI-RAIGVLPGSA-N 2 2 246.358 1.387 10 0 BDAELP [NH3+]C[C@@H]1C[C@H](F)C[N@@H+]1CC1CCCCC1 ZINC000378804925 712362583 /nfs/dbraw/zinc/36/25/83/712362583.db2.gz WJCUJRBIMTXUBT-RYUDHWBXSA-N 2 2 214.328 1.938 10 0 BDAELP [NH3+]C[C@@H]1C[C@H](F)C[N@H+]1CC1CCCCC1 ZINC000378804925 712362585 /nfs/dbraw/zinc/36/25/85/712362585.db2.gz WJCUJRBIMTXUBT-RYUDHWBXSA-N 2 2 214.328 1.938 10 0 BDAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000250820530 712834842 /nfs/dbraw/zinc/83/48/42/712834842.db2.gz ZKNMXJOIOLOPBS-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000250820530 712834843 /nfs/dbraw/zinc/83/48/43/712834843.db2.gz ZKNMXJOIOLOPBS-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000250820530 712834845 /nfs/dbraw/zinc/83/48/45/712834845.db2.gz ZKNMXJOIOLOPBS-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000250820530 712834847 /nfs/dbraw/zinc/83/48/47/712834847.db2.gz ZKNMXJOIOLOPBS-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000035774915 168323308 /nfs/dbraw/zinc/32/33/08/168323308.db2.gz YQGJVIJDCKRRTM-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000035774915 168323311 /nfs/dbraw/zinc/32/33/11/168323311.db2.gz YQGJVIJDCKRRTM-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000616612054 349473692 /nfs/dbraw/zinc/47/36/92/349473692.db2.gz LALZZWXZBKGNJF-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cc3ccccc3cn2)C1 ZINC000616612054 349473695 /nfs/dbraw/zinc/47/36/95/349473695.db2.gz LALZZWXZBKGNJF-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP Cc1cc(N(C)C[C@@H](C)C[NH3+])nc(C(C)C)[nH+]1 ZINC000042455618 178099190 /nfs/dbraw/zinc/09/91/90/178099190.db2.gz UIXPMSGJBNNYDF-JTQLQIEISA-N 2 2 236.363 1.939 10 0 BDAELP Cc1cc([NH3+])ccc1N[C@@H]1CC[N@@H+](C)C1 ZINC000042544934 178107765 /nfs/dbraw/zinc/10/77/65/178107765.db2.gz YVSFVLAWRFXQDY-LLVKDONJSA-N 2 2 205.305 1.693 10 0 BDAELP Cc1cc([NH3+])ccc1N[C@@H]1CC[N@H+](C)C1 ZINC000042544934 178107767 /nfs/dbraw/zinc/10/77/67/178107767.db2.gz YVSFVLAWRFXQDY-LLVKDONJSA-N 2 2 205.305 1.693 10 0 BDAELP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1(C)C ZINC000386655739 398215360 /nfs/dbraw/zinc/21/53/60/398215360.db2.gz RKFMOGKHBVYLOI-QJPTWQEYSA-N 2 2 226.364 1.484 10 0 BDAELP CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1(C)C ZINC000386655739 398215366 /nfs/dbraw/zinc/21/53/66/398215366.db2.gz RKFMOGKHBVYLOI-QJPTWQEYSA-N 2 2 226.364 1.484 10 0 BDAELP CCC[C@]1([NH2+]C[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000386533003 398211600 /nfs/dbraw/zinc/21/16/00/398211600.db2.gz GPSXODWORLTVKP-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP CCC[C@]1([NH2+]C[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000386533003 398211603 /nfs/dbraw/zinc/21/16/03/398211603.db2.gz GPSXODWORLTVKP-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP Cc1cc(N[C@@H]2CC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301919875 178182409 /nfs/dbraw/zinc/18/24/09/178182409.db2.gz IUBPGHABBFCBRF-MNOVXSKESA-N 2 2 220.320 1.680 10 0 BDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cscc1Cl ZINC000381583740 398264679 /nfs/dbraw/zinc/26/46/79/398264679.db2.gz GLDTWWPVILPBLV-GMSGAONNSA-N 2 2 246.763 1.071 10 0 BDAELP CC(C)[C@H](CCO)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386374632 398264691 /nfs/dbraw/zinc/26/46/91/398264691.db2.gz ZMPPKLOPPQWGBX-NEPJUHHUSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)[C@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386374632 398264692 /nfs/dbraw/zinc/26/46/92/398264692.db2.gz ZMPPKLOPPQWGBX-NEPJUHHUSA-N 2 2 214.353 1.077 10 0 BDAELP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386355542 398264972 /nfs/dbraw/zinc/26/49/72/398264972.db2.gz VFCARUTYYHKXLI-SRVKXCTJSA-N 2 2 212.337 1.238 10 0 BDAELP C[C@@H]1OCC[C@]1(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386355542 398264973 /nfs/dbraw/zinc/26/49/73/398264973.db2.gz VFCARUTYYHKXLI-SRVKXCTJSA-N 2 2 212.337 1.238 10 0 BDAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)[C@H]1CCOC1 ZINC000305251327 529669690 /nfs/dbraw/zinc/66/96/90/529669690.db2.gz ZOPFOLRNHQGBIC-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)[C@H]1CCOC1 ZINC000305251327 529669693 /nfs/dbraw/zinc/66/96/93/529669693.db2.gz ZOPFOLRNHQGBIC-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cccc(C(F)(F)F)c1F ZINC000072201026 343069776 /nfs/dbraw/zinc/06/97/76/343069776.db2.gz IHHNLURTBDNCKE-ZETCQYMHSA-N 2 2 222.185 1.803 10 0 BDAELP C[C@H](O)C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671387 343408017 /nfs/dbraw/zinc/40/80/17/343408017.db2.gz YVZVBESUFXMARG-DZGCQCFKSA-N 2 2 248.370 1.274 10 0 BDAELP C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671387 343408018 /nfs/dbraw/zinc/40/80/18/343408018.db2.gz YVZVBESUFXMARG-DZGCQCFKSA-N 2 2 248.370 1.274 10 0 BDAELP CC(C)[N@H+](CCC[NH+]1CCCC1)CCC(N)=[NH2+] ZINC000042529805 187265929 /nfs/dbraw/zinc/26/59/29/187265929.db2.gz RYWOSXPGSIUOPK-UHFFFAOYSA-N 3 2 240.395 1.509 10 0 BDAELP CC(C)[N@@H+](CCC[NH+]1CCCC1)CCC(N)=[NH2+] ZINC000042529805 187265931 /nfs/dbraw/zinc/26/59/31/187265931.db2.gz RYWOSXPGSIUOPK-UHFFFAOYSA-N 3 2 240.395 1.509 10 0 BDAELP Cc1[nH+]ccn1CC[NH2+][C@@H](C[NH+](C)C)C(C)C ZINC000049330459 187269844 /nfs/dbraw/zinc/26/98/44/187269844.db2.gz HOWWXTUCOQXVDN-ZDUSSCGKSA-N 3 2 238.379 1.367 10 0 BDAELP C[NH2+][C@H](C=C(C)C)[C@@H]1CSCC[N@@H+]1C ZINC000234477612 343974080 /nfs/dbraw/zinc/97/40/80/343974080.db2.gz FTVLXXIBOGQCBL-MNOVXSKESA-N 2 2 214.378 1.588 10 0 BDAELP C[NH2+][C@H](C=C(C)C)[C@@H]1CSCC[N@H+]1C ZINC000234477612 343974083 /nfs/dbraw/zinc/97/40/83/343974083.db2.gz FTVLXXIBOGQCBL-MNOVXSKESA-N 2 2 214.378 1.588 10 0 BDAELP CC(C)[C@@H]1CN(CCCn2cc[nH+]c2)CC[NH2+]1 ZINC000083364150 187285102 /nfs/dbraw/zinc/28/51/02/187285102.db2.gz CCJUBVKYCLPSRW-ZDUSSCGKSA-N 2 2 236.363 1.203 10 0 BDAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000096033532 344365522 /nfs/dbraw/zinc/36/55/22/344365522.db2.gz VFNRRDNADBXIAO-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000096033532 344365526 /nfs/dbraw/zinc/36/55/26/344365526.db2.gz VFNRRDNADBXIAO-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP Cn1cc[nH+]c1CCNc1cccc[nH+]1 ZINC000041043336 187291051 /nfs/dbraw/zinc/29/10/51/187291051.db2.gz UPVRURYNUCAVHT-UHFFFAOYSA-N 2 2 202.261 1.470 10 0 BDAELP CCc1[nH+]ccn1-c1cc(C[NH3+])ccn1 ZINC000042419576 187291101 /nfs/dbraw/zinc/29/11/01/187291101.db2.gz MTNUBLJTXOIWIO-UHFFFAOYSA-N 2 2 202.261 1.288 10 0 BDAELP C([C@@H]1CCCOC1)[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000104305810 187292109 /nfs/dbraw/zinc/29/21/09/187292109.db2.gz SZLUXKUCSLNACG-BFHYXJOUSA-N 2 2 238.375 1.629 10 0 BDAELP C([C@@H]1CCCOC1)[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000104305810 187292111 /nfs/dbraw/zinc/29/21/11/187292111.db2.gz SZLUXKUCSLNACG-BFHYXJOUSA-N 2 2 238.375 1.629 10 0 BDAELP CC(C)(C)Oc1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC000044472636 187293083 /nfs/dbraw/zinc/29/30/83/187293083.db2.gz NQQYIZSQLZTLCV-NSHDSACASA-N 2 2 208.305 1.822 10 0 BDAELP Cc1[nH]c(CN2CC[N@@H+]3CCCC[C@@H]3C2)[nH+]c1C ZINC000628156899 344849481 /nfs/dbraw/zinc/84/94/81/344849481.db2.gz KYCZLGYSNTVZQJ-CYBMUJFWSA-N 2 2 248.374 1.697 10 0 BDAELP Cc1[nH]c(CN2CC[N@H+]3CCCC[C@@H]3C2)[nH+]c1C ZINC000628156899 344849484 /nfs/dbraw/zinc/84/94/84/344849484.db2.gz KYCZLGYSNTVZQJ-CYBMUJFWSA-N 2 2 248.374 1.697 10 0 BDAELP CCOc1c(F)cc([C@@H]([NH3+])C[NH3+])cc1Cl ZINC000044475067 345090635 /nfs/dbraw/zinc/09/06/35/345090635.db2.gz KRVCNQLWQHLZBG-VIFPVBQESA-N 2 2 232.686 1.836 10 0 BDAELP Cc1c(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cnn1C ZINC000634997780 345195301 /nfs/dbraw/zinc/19/53/01/345195301.db2.gz SJHIAOYPHNUAIL-ZDUSSCGKSA-N 2 2 236.363 1.432 10 0 BDAELP Cc1c(C[N@H+]2CCCCC[C@H]([NH3+])C2)cnn1C ZINC000634997780 345195303 /nfs/dbraw/zinc/19/53/03/345195303.db2.gz SJHIAOYPHNUAIL-ZDUSSCGKSA-N 2 2 236.363 1.432 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998458 345198139 /nfs/dbraw/zinc/19/81/39/345198139.db2.gz FZBFDZLBJQDTSG-UWVGGRQHSA-N 2 2 239.388 1.732 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998458 345198141 /nfs/dbraw/zinc/19/81/41/345198141.db2.gz FZBFDZLBJQDTSG-UWVGGRQHSA-N 2 2 239.388 1.732 10 0 BDAELP CNc1ccc([C@@H]2C[N@H+](CC[NH3+])CCCO2)cc1 ZINC000616678014 345326318 /nfs/dbraw/zinc/32/63/18/345326318.db2.gz CBEAHCSOBDOLHK-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@@H]2C[N@@H+](CC[NH3+])CCCO2)cc1 ZINC000616678014 345326320 /nfs/dbraw/zinc/32/63/20/345326320.db2.gz CBEAHCSOBDOLHK-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CC[N@H+](CC(C)C)C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378612 537968115 /nfs/dbraw/zinc/96/81/15/537968115.db2.gz JFHFPWIHLQGPPO-CHWSQXEVSA-N 3 2 227.396 1.149 10 0 BDAELP CC[N@@H+](CC(C)C)C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378612 537968120 /nfs/dbraw/zinc/96/81/20/537968120.db2.gz JFHFPWIHLQGPPO-CHWSQXEVSA-N 3 2 227.396 1.149 10 0 BDAELP C[C@@H]1CC[NH2+][C@]2(CC[NH2+]C[C@@H]2C)S1 ZINC000229565648 346437835 /nfs/dbraw/zinc/43/78/35/346437835.db2.gz OVFUFGNETQTYSZ-IVZWLZJFSA-N 2 2 200.351 1.427 10 0 BDAELP Cc1cccc(NC[C@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000114184535 179148239 /nfs/dbraw/zinc/14/82/39/179148239.db2.gz ZJWBXTKDYBSYKC-LBPRGKRZSA-N 2 2 235.331 1.523 10 0 BDAELP CCC(F)(F)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000641824675 362774298 /nfs/dbraw/zinc/77/42/98/362774298.db2.gz XDTNDQIXAIXNSH-DTWKUNHWSA-N 2 2 206.280 1.558 10 0 BDAELP CCC(F)(F)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000641824675 362774300 /nfs/dbraw/zinc/77/43/00/362774300.db2.gz XDTNDQIXAIXNSH-DTWKUNHWSA-N 2 2 206.280 1.558 10 0 BDAELP Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](C[NH3+])C1 ZINC000071544581 179277148 /nfs/dbraw/zinc/27/71/48/179277148.db2.gz VNVNXMCUGRFDMI-TZMCWYRMSA-N 2 2 234.343 1.543 10 0 BDAELP Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](C[NH3+])C1 ZINC000071544581 179277150 /nfs/dbraw/zinc/27/71/50/179277150.db2.gz VNVNXMCUGRFDMI-TZMCWYRMSA-N 2 2 234.343 1.543 10 0 BDAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CCC[C@H](O)C1 ZINC000043035260 179347521 /nfs/dbraw/zinc/34/75/21/179347521.db2.gz DKIWLJSPBDFUAQ-IPYPFGDCSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+]1CCC[C@H](O)C1 ZINC000043035260 179347523 /nfs/dbraw/zinc/34/75/23/179347523.db2.gz DKIWLJSPBDFUAQ-IPYPFGDCSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1nc(NCCC[NH3+])c2c([nH+]1)CCC2 ZINC000057328792 180069504 /nfs/dbraw/zinc/06/95/04/180069504.db2.gz XJDWQKNZSNLTIY-UHFFFAOYSA-N 2 2 206.293 1.034 10 0 BDAELP Cc1nc(N[C@@H]2c3ccccc3C[C@H]2[NH3+])cc[nH+]1 ZINC000104322560 180205744 /nfs/dbraw/zinc/20/57/44/180205744.db2.gz YVXWSOATTJLVDC-TZMCWYRMSA-N 2 2 240.310 1.822 10 0 BDAELP Cc1nc(N[C@H]2CCCC[C@H]2[NH3+])cc[nH+]1 ZINC000054936782 180206300 /nfs/dbraw/zinc/20/63/00/180206300.db2.gz HWXJZVMQDNLOOJ-ZJUUUORDSA-N 2 2 206.293 1.467 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049331258 180248310 /nfs/dbraw/zinc/24/83/10/180248310.db2.gz IDEICVOBUOGUTI-PBWFPOADSA-N 3 2 248.374 1.406 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000049331258 180248312 /nfs/dbraw/zinc/24/83/12/180248312.db2.gz IDEICVOBUOGUTI-PBWFPOADSA-N 3 2 248.374 1.406 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC000178302227 180264310 /nfs/dbraw/zinc/26/43/10/180264310.db2.gz HOHLZKJDAMXGOS-ZDUSSCGKSA-N 2 2 246.314 1.844 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC000178302227 180264313 /nfs/dbraw/zinc/26/43/13/180264313.db2.gz HOHLZKJDAMXGOS-ZDUSSCGKSA-N 2 2 246.314 1.844 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](C)O ZINC000194952126 180269631 /nfs/dbraw/zinc/26/96/31/180269631.db2.gz DUZIPQHNXQPPFF-ZYHUDNBSSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](C)O ZINC000194952126 180269632 /nfs/dbraw/zinc/26/96/32/180269632.db2.gz DUZIPQHNXQPPFF-ZYHUDNBSSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCO ZINC000178292873 180269947 /nfs/dbraw/zinc/26/99/47/180269947.db2.gz QIAQGWBYKRMFHM-GFCCVEGCSA-N 2 2 223.320 1.038 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCO ZINC000178292873 180269949 /nfs/dbraw/zinc/26/99/49/180269949.db2.gz QIAQGWBYKRMFHM-GFCCVEGCSA-N 2 2 223.320 1.038 10 0 BDAELP COc1ccc[nH+]c1NC[C@H]1CCC[NH2+]C1 ZINC000159439837 350532956 /nfs/dbraw/zinc/53/29/56/350532956.db2.gz KLOWXDQGYLWOTH-JTQLQIEISA-N 2 2 221.304 1.502 10 0 BDAELP COc1cccc(C[C@@H](C[NH3+])[NH+](C)C)c1 ZINC000041217888 350783770 /nfs/dbraw/zinc/78/37/70/350783770.db2.gz JQAJZFZKXBSTRD-NSHDSACASA-N 2 2 208.305 1.127 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cocn2)CC1 ZINC000616602291 350791160 /nfs/dbraw/zinc/79/11/60/350791160.db2.gz WZNHONMSQAPKJJ-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cocn2)CC1 ZINC000616602291 350791163 /nfs/dbraw/zinc/79/11/63/350791163.db2.gz WZNHONMSQAPKJJ-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP CC[C@@H]1CS[C@@]2(CC[C@H](C)[NH2+]C2)[NH2+]1 ZINC000306685807 350842799 /nfs/dbraw/zinc/84/27/99/350842799.db2.gz JJBMLSWYZUWZGY-IVZWLZJFSA-N 2 2 200.351 1.570 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@H](C)[C@H](C)[NH3+] ZINC000251832064 350905034 /nfs/dbraw/zinc/90/50/34/350905034.db2.gz QBBMKSDBACKGMZ-LMLFDSFASA-N 2 2 200.326 1.221 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@H](C)[C@H](C)[NH3+] ZINC000251832064 350905038 /nfs/dbraw/zinc/90/50/38/350905038.db2.gz QBBMKSDBACKGMZ-LMLFDSFASA-N 2 2 200.326 1.221 10 0 BDAELP COc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616619812 350928448 /nfs/dbraw/zinc/92/84/48/350928448.db2.gz AWYKKTNGUVAMLL-LBPRGKRZSA-N 2 2 234.343 1.833 10 0 BDAELP COc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616619812 350928451 /nfs/dbraw/zinc/92/84/51/350928451.db2.gz AWYKKTNGUVAMLL-LBPRGKRZSA-N 2 2 234.343 1.833 10 0 BDAELP [NH3+]CCN1c2ccccc2NC[C@H]1c1[nH]cc[nH+]1 ZINC000616685165 351254407 /nfs/dbraw/zinc/25/44/07/351254407.db2.gz BSCWCJHUXDMJKZ-LBPRGKRZSA-N 2 2 243.314 1.342 10 0 BDAELP CNc1ccc([C@@H]2COCC[N@H+](CC[NH3+])C2)cc1 ZINC000616659223 351206103 /nfs/dbraw/zinc/20/61/03/351206103.db2.gz DDGRIFAKBUEACD-ZDUSSCGKSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1ccc([C@@H]2COCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616659223 351206107 /nfs/dbraw/zinc/20/61/07/351206107.db2.gz DDGRIFAKBUEACD-ZDUSSCGKSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1ccccc1[C@@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616660744 351212935 /nfs/dbraw/zinc/21/29/35/351212935.db2.gz OEWRZIQSNLXJPJ-LBPRGKRZSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1ccccc1[C@@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616660744 351212937 /nfs/dbraw/zinc/21/29/37/351212937.db2.gz OEWRZIQSNLXJPJ-LBPRGKRZSA-N 2 2 249.358 1.103 10 0 BDAELP C[NH2+][C@H]1CC[N@@H+]([C@@H]2CSC2(C)C)C1 ZINC000306976809 351396411 /nfs/dbraw/zinc/39/64/11/351396411.db2.gz FZHSMWFIPPRKEC-DTWKUNHWSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@H]1CC[N@H+]([C@@H]2CSC2(C)C)C1 ZINC000306976809 351396413 /nfs/dbraw/zinc/39/64/13/351396413.db2.gz FZHSMWFIPPRKEC-DTWKUNHWSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@H]1CSC(NCc2c[nH+]cn2C)=[NH+]1 ZINC000307027235 351435370 /nfs/dbraw/zinc/43/53/70/351435370.db2.gz ZPJWHSTZVUUVGQ-ZETCQYMHSA-N 2 2 210.306 1.001 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH+]1CCSCC1 ZINC000307009517 351416565 /nfs/dbraw/zinc/41/65/65/351416565.db2.gz INBUYJAGTQWDOS-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP [NH3+][C@@H](Cc1[nH]cc[nH+]1)C1CC(F)(F)C1 ZINC000307147030 351499449 /nfs/dbraw/zinc/49/94/49/351499449.db2.gz HOMLNUUNWXPEQL-ZETCQYMHSA-N 2 2 201.220 1.325 10 0 BDAELP Clc1nccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)n1 ZINC000095070138 180602017 /nfs/dbraw/zinc/60/20/17/180602017.db2.gz HKGYMIDMXSFBAG-SECBINFHSA-N 2 2 240.738 1.219 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CS1 ZINC000307332167 352048033 /nfs/dbraw/zinc/04/80/33/352048033.db2.gz CEBWICPIKXPZKB-OPRDCNLKSA-N 2 2 200.351 1.222 10 0 BDAELP CC1(C)SC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000307326662 352019657 /nfs/dbraw/zinc/01/96/57/352019657.db2.gz JEDWYOPFOKEMOD-RKDXNWHRSA-N 2 2 200.351 1.222 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630076885 363173060 /nfs/dbraw/zinc/17/30/60/363173060.db2.gz LMZDGLHJIDHRME-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630076885 363173064 /nfs/dbraw/zinc/17/30/64/363173064.db2.gz LMZDGLHJIDHRME-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP CC1(C)C[NH+]([C@@]2(C[NH3+])CCSC2)C1 ZINC000307405158 352580785 /nfs/dbraw/zinc/58/07/85/352580785.db2.gz JQRYYNQODLFHDO-SNVBAGLBSA-N 2 2 200.351 1.163 10 0 BDAELP COCC[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000052810550 352983311 /nfs/dbraw/zinc/98/33/11/352983311.db2.gz AXGXXMXZNILRSV-CYBMUJFWSA-N 2 2 222.332 1.482 10 0 BDAELP COCC[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000052810550 352983315 /nfs/dbraw/zinc/98/33/15/352983315.db2.gz AXGXXMXZNILRSV-CYBMUJFWSA-N 2 2 222.332 1.482 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000336774978 353429070 /nfs/dbraw/zinc/42/90/70/353429070.db2.gz XRHZJXMVYQQRST-QWHCGFSZSA-N 2 2 228.380 1.874 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000336774978 353429072 /nfs/dbraw/zinc/42/90/72/353429072.db2.gz XRHZJXMVYQQRST-QWHCGFSZSA-N 2 2 228.380 1.874 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)COC(C)C)C1 ZINC000336774976 353429339 /nfs/dbraw/zinc/42/93/39/353429339.db2.gz XRHZJXMVYQQRST-CHWSQXEVSA-N 2 2 228.380 1.874 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)COC(C)C)C1 ZINC000336774976 353429342 /nfs/dbraw/zinc/42/93/42/353429342.db2.gz XRHZJXMVYQQRST-CHWSQXEVSA-N 2 2 228.380 1.874 10 0 BDAELP Cc1cc(NC[C@H]2CCCC[NH2+]2)c(C#N)c[nH+]1 ZINC000399031290 353715677 /nfs/dbraw/zinc/71/56/77/353715677.db2.gz JPHJEFGDMCGUHX-GFCCVEGCSA-N 2 2 230.315 1.238 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000335788331 355439552 /nfs/dbraw/zinc/43/95/52/355439552.db2.gz GVIBIGBJHIQNGP-TXEJJXNPSA-N 2 2 236.363 1.646 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000389117266 355693545 /nfs/dbraw/zinc/69/35/45/355693545.db2.gz BLRVBKSXYXYJDO-CMPLNLGQSA-N 2 2 236.363 1.473 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000389117266 355693547 /nfs/dbraw/zinc/69/35/47/355693547.db2.gz BLRVBKSXYXYJDO-CMPLNLGQSA-N 2 2 236.363 1.473 10 0 BDAELP [NH3+][C@H]1C=C(c2ccsc2Cl)C[NH2+]C1 ZINC000675078070 538515378 /nfs/dbraw/zinc/51/53/78/538515378.db2.gz MAVKGNJXYKYZNP-ZETCQYMHSA-N 2 2 214.721 1.715 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2sccc2Cl)C[NH2+]C1 ZINC000675077977 538515451 /nfs/dbraw/zinc/51/54/51/538515451.db2.gz LNFFMMLGMLKZDT-MRVPVSSYSA-N 2 2 228.748 1.801 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@H]1CCOC1 ZINC000389515650 356889211 /nfs/dbraw/zinc/88/92/11/356889211.db2.gz FYEGWIZDWLBBLA-XQQFMLRXSA-N 2 2 226.364 1.485 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@H]1CCOC1 ZINC000389515650 356889216 /nfs/dbraw/zinc/88/92/16/356889216.db2.gz FYEGWIZDWLBBLA-XQQFMLRXSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000389531725 356969877 /nfs/dbraw/zinc/96/98/77/356969877.db2.gz INRYWCKOXZQXIW-RWMBFGLXSA-N 2 2 237.391 1.295 10 0 BDAELP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000389531725 356969883 /nfs/dbraw/zinc/96/98/83/356969883.db2.gz INRYWCKOXZQXIW-RWMBFGLXSA-N 2 2 237.391 1.295 10 0 BDAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000389531725 356969889 /nfs/dbraw/zinc/96/98/89/356969889.db2.gz INRYWCKOXZQXIW-RWMBFGLXSA-N 2 2 237.391 1.295 10 0 BDAELP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000389531725 356969892 /nfs/dbraw/zinc/96/98/92/356969892.db2.gz INRYWCKOXZQXIW-RWMBFGLXSA-N 2 2 237.391 1.295 10 0 BDAELP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@@H+]1C ZINC000130073671 357177533 /nfs/dbraw/zinc/17/75/33/357177533.db2.gz VNXXBSCOBQSFPZ-ONGXEEELSA-N 2 2 210.346 1.930 10 0 BDAELP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@H+]1C ZINC000130073671 357177537 /nfs/dbraw/zinc/17/75/37/357177537.db2.gz VNXXBSCOBQSFPZ-ONGXEEELSA-N 2 2 210.346 1.930 10 0 BDAELP CC[N@@H+]1CCO[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000158835442 538868850 /nfs/dbraw/zinc/86/88/50/538868850.db2.gz ABKYQNQMUIOJIO-GFCCVEGCSA-N 2 2 235.331 1.523 10 0 BDAELP CC[N@H+]1CCO[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000158835442 538868853 /nfs/dbraw/zinc/86/88/53/538868853.db2.gz ABKYQNQMUIOJIO-GFCCVEGCSA-N 2 2 235.331 1.523 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC000685948869 538891546 /nfs/dbraw/zinc/89/15/46/538891546.db2.gz UTCGODNJOQXBRD-WRWGMCAJSA-N 2 2 214.328 1.664 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+]C[C@H]2F)C1 ZINC000685948869 538891549 /nfs/dbraw/zinc/89/15/49/538891549.db2.gz UTCGODNJOQXBRD-WRWGMCAJSA-N 2 2 214.328 1.664 10 0 BDAELP Nc1cccc(C2=CC[C@]3(C[C@H]3[NH3+])CC2)[nH+]1 ZINC000685950789 538894316 /nfs/dbraw/zinc/89/43/16/538894316.db2.gz ZDSOYLCFSNJZPT-DGCLKSJQSA-N 2 2 215.300 1.949 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000233490271 357725931 /nfs/dbraw/zinc/72/59/31/357725931.db2.gz JCGDPHAHTGFRBZ-OTTFEQOBSA-N 2 2 226.364 1.364 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000233490271 357725934 /nfs/dbraw/zinc/72/59/34/357725934.db2.gz JCGDPHAHTGFRBZ-OTTFEQOBSA-N 2 2 226.364 1.364 10 0 BDAELP COC[C@H](CCC[NH3+])Nc1ccc(C)[nH+]c1 ZINC000234716052 357819598 /nfs/dbraw/zinc/81/95/98/357819598.db2.gz XXDZADMBMCKQDV-LBPRGKRZSA-N 2 2 223.320 1.556 10 0 BDAELP C[C@@H]1SCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000300358848 358971978 /nfs/dbraw/zinc/97/19/78/358971978.db2.gz BTGXVPCMGZRSQM-HBNTYKKESA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1SCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000300358848 358971983 /nfs/dbraw/zinc/97/19/83/358971983.db2.gz BTGXVPCMGZRSQM-HBNTYKKESA-N 2 2 214.378 1.564 10 0 BDAELP CC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247147236 359197349 /nfs/dbraw/zinc/19/73/49/359197349.db2.gz UAWRLEGHAPFLPF-STQMWFEESA-N 2 2 237.347 1.427 10 0 BDAELP CC[C@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247147236 359197351 /nfs/dbraw/zinc/19/73/51/359197351.db2.gz UAWRLEGHAPFLPF-STQMWFEESA-N 2 2 237.347 1.427 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049454 491143365 /nfs/dbraw/zinc/14/33/65/491143365.db2.gz QAHXJOFZPZOGKM-ZYHUDNBSSA-N 2 2 207.321 1.445 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049454 491143366 /nfs/dbraw/zinc/14/33/66/491143366.db2.gz QAHXJOFZPZOGKM-ZYHUDNBSSA-N 2 2 207.321 1.445 10 0 BDAELP CC(C)(C[NH3+])[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000306436596 359944758 /nfs/dbraw/zinc/94/47/58/359944758.db2.gz LQOHAMSPSRUFNN-ZETCQYMHSA-N 2 2 210.243 1.608 10 0 BDAELP CC(C)(C[NH3+])[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000306436596 359944762 /nfs/dbraw/zinc/94/47/62/359944762.db2.gz LQOHAMSPSRUFNN-ZETCQYMHSA-N 2 2 210.243 1.608 10 0 BDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000094085904 360295840 /nfs/dbraw/zinc/29/58/40/360295840.db2.gz ZXAINMHJGDTPSN-RUXDESIVSA-N 3 2 241.423 1.822 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC000069760985 360409101 /nfs/dbraw/zinc/40/91/01/360409101.db2.gz BFLJVLHHOCAMRQ-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC000069760985 360409106 /nfs/dbraw/zinc/40/91/06/360409106.db2.gz BFLJVLHHOCAMRQ-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCSC[C@H]1C ZINC000069762420 360423467 /nfs/dbraw/zinc/42/34/67/360423467.db2.gz OPBGRSYPHXHKTQ-ZJUUUORDSA-N 2 2 202.367 1.407 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCSC[C@H]1C ZINC000069762420 360423468 /nfs/dbraw/zinc/42/34/68/360423468.db2.gz OPBGRSYPHXHKTQ-ZJUUUORDSA-N 2 2 202.367 1.407 10 0 BDAELP CC1(C)CS[C@@](C)([C@@H]2CCC[NH2+]2)[NH2+]1 ZINC000306573341 360462617 /nfs/dbraw/zinc/46/26/17/360462617.db2.gz HLBQQDCZNJRHRJ-WPRPVWTQSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@@H]1CC[NH2+][C@@](C)([C@@H]2CC[NH2+]C2)S1 ZINC000306578121 360467909 /nfs/dbraw/zinc/46/79/09/360467909.db2.gz LVYDCKGVRZJPIS-OPRDCNLKSA-N 2 2 200.351 1.427 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCSCC[C@@H]1C ZINC000306626347 361292298 /nfs/dbraw/zinc/29/22/98/361292298.db2.gz HPWFSEJBHNMVFZ-YUMQZZPRSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCSCC[C@@H]1C ZINC000306626347 361292303 /nfs/dbraw/zinc/29/23/03/361292303.db2.gz HPWFSEJBHNMVFZ-YUMQZZPRSA-N 2 2 201.339 1.138 10 0 BDAELP [NH3+]C1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000070459740 181344482 /nfs/dbraw/zinc/34/44/82/181344482.db2.gz YJCRYDJLNBLAPW-CYBMUJFWSA-N 2 2 238.306 1.282 10 0 BDAELP C[C@@H](C[NH2+]CC1CCOCC1)[N@H+](C)C1CC1 ZINC000155972119 201377486 /nfs/dbraw/zinc/37/74/86/201377486.db2.gz BNLNWAJFNFUMTC-NSHDSACASA-N 2 2 226.364 1.485 10 0 BDAELP C[C@@H](C[NH2+]CC1CCOCC1)[N@@H+](C)C1CC1 ZINC000155972119 201377489 /nfs/dbraw/zinc/37/74/89/201377489.db2.gz BNLNWAJFNFUMTC-NSHDSACASA-N 2 2 226.364 1.485 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630359660 364079771 /nfs/dbraw/zinc/07/97/71/364079771.db2.gz DHYBNUQUHXBHBD-CHWSQXEVSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630359660 364079775 /nfs/dbraw/zinc/07/97/75/364079775.db2.gz DHYBNUQUHXBHBD-CHWSQXEVSA-N 2 2 235.331 1.020 10 0 BDAELP C[C@H]1CO[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000038673983 364051670 /nfs/dbraw/zinc/05/16/70/364051670.db2.gz SEZNKYANPTZLKD-AAEUAGOBSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@H]1CO[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000038673983 364051676 /nfs/dbraw/zinc/05/16/76/364051676.db2.gz SEZNKYANPTZLKD-AAEUAGOBSA-N 2 2 220.316 1.235 10 0 BDAELP [NH3+]CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000037712740 364545029 /nfs/dbraw/zinc/54/50/29/364545029.db2.gz XZFZZKSQVNTABY-CQSZACIVSA-N 2 2 233.359 1.199 10 0 BDAELP CC[N@@H+]1CC[C@@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000575816869 365373448 /nfs/dbraw/zinc/37/34/48/365373448.db2.gz YNHARFUDZGICDH-LLVKDONJSA-N 2 2 222.336 1.210 10 0 BDAELP CC[N@H+]1CC[C@@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000575816869 365373450 /nfs/dbraw/zinc/37/34/50/365373450.db2.gz YNHARFUDZGICDH-LLVKDONJSA-N 2 2 222.336 1.210 10 0 BDAELP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000380758788 367299691 /nfs/dbraw/zinc/29/96/91/367299691.db2.gz VRFWMHBJEQRHDB-QWHCGFSZSA-N 3 2 227.396 1.447 10 0 BDAELP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000380758788 367299693 /nfs/dbraw/zinc/29/96/93/367299693.db2.gz VRFWMHBJEQRHDB-QWHCGFSZSA-N 3 2 227.396 1.447 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CS[C@H](C)C2)C1 ZINC000252692057 367597745 /nfs/dbraw/zinc/59/77/45/367597745.db2.gz ZWHJYKRSSUPPRO-BBBLOLIVSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CS[C@H](C)C2)C1 ZINC000252692057 367597750 /nfs/dbraw/zinc/59/77/50/367597750.db2.gz ZWHJYKRSSUPPRO-BBBLOLIVSA-N 2 2 200.351 1.174 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000384608652 367707677 /nfs/dbraw/zinc/70/76/77/367707677.db2.gz OQMWVJHORRKAOV-QNWHQSFQSA-N 2 2 226.364 1.626 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000384608652 367707681 /nfs/dbraw/zinc/70/76/81/367707681.db2.gz OQMWVJHORRKAOV-QNWHQSFQSA-N 2 2 226.364 1.626 10 0 BDAELP C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1nccs1 ZINC000252761078 368053683 /nfs/dbraw/zinc/05/36/83/368053683.db2.gz MTBQSRAYFWGPSK-RKDXNWHRSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1nccs1 ZINC000252761078 368053688 /nfs/dbraw/zinc/05/36/88/368053688.db2.gz MTBQSRAYFWGPSK-RKDXNWHRSA-N 2 2 211.334 1.355 10 0 BDAELP C(C[NH+]1CCCCC1)NCC[NH+]1CCCCC1 ZINC000038272634 368325155 /nfs/dbraw/zinc/32/51/55/368325155.db2.gz SLMNDIYPPRDYLT-UHFFFAOYSA-N 2 2 239.407 1.548 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccon2)CC1 ZINC000616600388 369100470 /nfs/dbraw/zinc/10/04/70/369100470.db2.gz DELWRCFALOZIHO-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccon2)CC1 ZINC000616600388 369100476 /nfs/dbraw/zinc/10/04/76/369100476.db2.gz DELWRCFALOZIHO-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843430 369375626 /nfs/dbraw/zinc/37/56/26/369375626.db2.gz NOLFNOZTHJEXBT-RYUDHWBXSA-N 2 2 247.342 1.152 10 0 BDAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843430 369375628 /nfs/dbraw/zinc/37/56/28/369375628.db2.gz NOLFNOZTHJEXBT-RYUDHWBXSA-N 2 2 247.342 1.152 10 0 BDAELP C[C@@H]1SCC[N@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000132418816 371817545 /nfs/dbraw/zinc/81/75/45/371817545.db2.gz VKYNELDQTNXFGW-DCAQKATOSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1SCC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000132418816 371817555 /nfs/dbraw/zinc/81/75/55/371817555.db2.gz VKYNELDQTNXFGW-DCAQKATOSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1CCSC(N[C@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000133524323 372069045 /nfs/dbraw/zinc/06/90/45/372069045.db2.gz FTJQSJPZZGCTDX-BDAKNGLRSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@@H]1CCSC(N[C@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000133524323 372069047 /nfs/dbraw/zinc/06/90/47/372069047.db2.gz FTJQSJPZZGCTDX-BDAKNGLRSA-N 2 2 213.350 1.162 10 0 BDAELP CC(C)(C)[C@H](C[NH3+])[N@@H+]1CCCC2(C1)OCCO2 ZINC000133695260 372088279 /nfs/dbraw/zinc/08/82/79/372088279.db2.gz GJMWXVUZRLEHKO-NSHDSACASA-N 2 2 242.363 1.199 10 0 BDAELP CC(C)(C)[C@H](C[NH3+])[N@H+]1CCCC2(C1)OCCO2 ZINC000133695260 372088282 /nfs/dbraw/zinc/08/82/82/372088282.db2.gz GJMWXVUZRLEHKO-NSHDSACASA-N 2 2 242.363 1.199 10 0 BDAELP CC1(C)C[N@@H+](C2(C[NH3+])CC2)CCS1 ZINC000232812991 372164316 /nfs/dbraw/zinc/16/43/16/372164316.db2.gz WVCCOCJKFHLOOV-UHFFFAOYSA-N 2 2 200.351 1.305 10 0 BDAELP CC1(C)C[N@H+](C2(C[NH3+])CC2)CCS1 ZINC000232812991 372164321 /nfs/dbraw/zinc/16/43/21/372164321.db2.gz WVCCOCJKFHLOOV-UHFFFAOYSA-N 2 2 200.351 1.305 10 0 BDAELP CC[N@H+](Cc1ccccc1)C[C@](C)([NH3+])CO ZINC000307593660 372130849 /nfs/dbraw/zinc/13/08/49/372130849.db2.gz JIVQZCXCDIUDBY-ZDUSSCGKSA-N 2 2 222.332 1.218 10 0 BDAELP CC[N@@H+](Cc1ccccc1)C[C@](C)([NH3+])CO ZINC000307593660 372130855 /nfs/dbraw/zinc/13/08/55/372130855.db2.gz JIVQZCXCDIUDBY-ZDUSSCGKSA-N 2 2 222.332 1.218 10 0 BDAELP C[C@H]1C[N@H+](Cc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000631837525 372627039 /nfs/dbraw/zinc/62/70/39/372627039.db2.gz CLFWAVYALUKCOT-UWVGGRQHSA-N 2 2 240.297 1.991 10 0 BDAELP C[C@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000631837525 372627045 /nfs/dbraw/zinc/62/70/45/372627045.db2.gz CLFWAVYALUKCOT-UWVGGRQHSA-N 2 2 240.297 1.991 10 0 BDAELP Cc1nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631838472 372631105 /nfs/dbraw/zinc/63/11/05/372631105.db2.gz OZRXUPDUZNNGFT-WPRPVWTQSA-N 2 2 225.361 1.478 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631838472 372631110 /nfs/dbraw/zinc/63/11/10/372631110.db2.gz OZRXUPDUZNNGFT-WPRPVWTQSA-N 2 2 225.361 1.478 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cccs2)C[C@@H]1[NH3+] ZINC000069718227 373641480 /nfs/dbraw/zinc/64/14/80/373641480.db2.gz LZZFYDANFIDSRD-ONGXEEELSA-N 2 2 210.346 1.917 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cccs2)C[C@@H]1[NH3+] ZINC000069718227 373641488 /nfs/dbraw/zinc/64/14/88/373641488.db2.gz LZZFYDANFIDSRD-ONGXEEELSA-N 2 2 210.346 1.917 10 0 BDAELP OC[C@H](c1cccs1)[N@@H+]1CCC[NH2+]CC1 ZINC000041673137 183145152 /nfs/dbraw/zinc/14/51/52/183145152.db2.gz WCWLHFZLGPKZJE-SNVBAGLBSA-N 2 2 226.345 1.077 10 0 BDAELP OC[C@H](c1cccs1)[N@H+]1CCC[NH2+]CC1 ZINC000041673137 183145154 /nfs/dbraw/zinc/14/51/54/183145154.db2.gz WCWLHFZLGPKZJE-SNVBAGLBSA-N 2 2 226.345 1.077 10 0 BDAELP O[C@@H]1CCCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000054126917 183187733 /nfs/dbraw/zinc/18/77/33/183187733.db2.gz OWQXDIMTOXFOCO-CHWSQXEVSA-N 2 2 226.364 1.365 10 0 BDAELP O[C@@H]1CCCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541196 183188390 /nfs/dbraw/zinc/18/83/90/183188390.db2.gz JKIYNILVZABBPJ-NWDGAFQWSA-N 2 2 223.320 1.166 10 0 BDAELP CCC[NH+]1CCC([C@@H](C)[NH2+]CC[NH+](C)C)CC1 ZINC000037208400 169191561 /nfs/dbraw/zinc/19/15/61/169191561.db2.gz LFXRQLOPCAQCTG-CYBMUJFWSA-N 3 2 241.423 1.648 10 0 BDAELP c1cc(C[NH+]2CCOCC2)oc1C[NH2+]C1CC1 ZINC000045205598 183345084 /nfs/dbraw/zinc/34/50/84/183345084.db2.gz AFZOWWIANCZJKA-UHFFFAOYSA-N 2 2 236.315 1.364 10 0 BDAELP CCC[NH2+]C1CC[NH+](CCn2cccn2)CC1 ZINC000049313412 169255434 /nfs/dbraw/zinc/25/54/34/169255434.db2.gz UPLMYPZOOAYHQL-UHFFFAOYSA-N 2 2 236.363 1.347 10 0 BDAELP CCC[NH2+]C[C@@H](CC)N1CCn2cc[nH+]c2C1 ZINC000062325524 169262265 /nfs/dbraw/zinc/26/22/65/169262265.db2.gz HQYUJFMNMWFSIG-GFCCVEGCSA-N 2 2 236.363 1.477 10 0 BDAELP CCC[NH2+][C@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000050270630 169289215 /nfs/dbraw/zinc/28/92/15/169289215.db2.gz YECRJZZQMLDWSK-LLVKDONJSA-N 2 2 236.315 1.457 10 0 BDAELP CCC[NH2+]C[C@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191999 169264017 /nfs/dbraw/zinc/26/40/17/169264017.db2.gz LTDGBCBASPJCNJ-UONOGXRCSA-N 3 2 241.423 1.506 10 0 BDAELP CCC[NH2+]C[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191999 169264020 /nfs/dbraw/zinc/26/40/20/169264020.db2.gz LTDGBCBASPJCNJ-UONOGXRCSA-N 3 2 241.423 1.506 10 0 BDAELP CCC[NH2+]C[C@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191999 169264021 /nfs/dbraw/zinc/26/40/21/169264021.db2.gz LTDGBCBASPJCNJ-UONOGXRCSA-N 3 2 241.423 1.506 10 0 BDAELP CCC[NH2+]C[C@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191999 169264023 /nfs/dbraw/zinc/26/40/23/169264023.db2.gz LTDGBCBASPJCNJ-UONOGXRCSA-N 3 2 241.423 1.506 10 0 BDAELP c1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000098181504 183399539 /nfs/dbraw/zinc/39/95/39/183399539.db2.gz ONQYKAILSLKZLP-KBPBESRZSA-N 2 2 216.328 1.870 10 0 BDAELP c1ccc(C[N@H+]2CCC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000098181504 183399542 /nfs/dbraw/zinc/39/95/42/183399542.db2.gz ONQYKAILSLKZLP-KBPBESRZSA-N 2 2 216.328 1.870 10 0 BDAELP CCC[NH2+][C@@H]1CC[N@H+](CCC[NH+](C)C)[C@H](C)C1 ZINC000049710847 169282512 /nfs/dbraw/zinc/28/25/12/169282512.db2.gz GSSSLCXXJMWANN-ZIAGYGMSSA-N 3 2 241.423 1.791 10 0 BDAELP CCC[NH2+][C@@H]1CC[N@@H+](CCC[NH+](C)C)[C@H](C)C1 ZINC000049710847 169282513 /nfs/dbraw/zinc/28/25/13/169282513.db2.gz GSSSLCXXJMWANN-ZIAGYGMSSA-N 3 2 241.423 1.791 10 0 BDAELP CCCOC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042533 169300285 /nfs/dbraw/zinc/30/02/85/169300285.db2.gz ICMGVXKXXXCXSJ-GFCCVEGCSA-N 2 2 240.347 1.156 10 0 BDAELP CCCOC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042533 169300287 /nfs/dbraw/zinc/30/02/87/169300287.db2.gz ICMGVXKXXXCXSJ-GFCCVEGCSA-N 2 2 240.347 1.156 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000069796680 383846013 /nfs/dbraw/zinc/84/60/13/383846013.db2.gz AWKWXITXBWLLJK-PWSUYJOCSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000069796680 383846016 /nfs/dbraw/zinc/84/60/16/383846016.db2.gz AWKWXITXBWLLJK-PWSUYJOCSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH+](C)Cc1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000050329876 383999130 /nfs/dbraw/zinc/99/91/30/383999130.db2.gz UWOMEEJKQBLETI-SSDOTTSWSA-N 2 2 211.334 1.541 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(Br)s1 ZINC000035677009 384089010 /nfs/dbraw/zinc/08/90/10/384089010.db2.gz QANOLTOLTKGRFP-SCSAIBSYSA-N 2 2 221.123 1.469 10 0 BDAELP O=C1CC[NH2+]C[C@H]1c1[nH+]ccc2[nH]ccc21 ZINC000074115639 384272371 /nfs/dbraw/zinc/27/23/71/384272371.db2.gz UIQQIDHETBLJQP-SECBINFHSA-N 2 2 215.256 1.209 10 0 BDAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000095072302 384343038 /nfs/dbraw/zinc/34/30/38/384343038.db2.gz LHGLULYPUPRVBK-ZJUUUORDSA-N 2 2 211.334 1.503 10 0 BDAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000095072311 384343726 /nfs/dbraw/zinc/34/37/26/384343726.db2.gz MKYXLVKALSNTEO-VHSXEESVSA-N 2 2 240.738 1.490 10 0 BDAELP Cc1cc(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)cc[nH+]1 ZINC000335598866 384364306 /nfs/dbraw/zinc/36/43/06/384364306.db2.gz YLFJGZAENGUQNJ-CMPLNLGQSA-N 2 2 233.315 1.139 10 0 BDAELP C[C@@H]([NH3+])[C@H](c1ccsc1)n1cc[nH+]c1 ZINC000043124109 384495280 /nfs/dbraw/zinc/49/52/80/384495280.db2.gz QGTOEWALWLJAQS-PSASIEDQSA-N 2 2 207.302 1.881 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000164006875 384506638 /nfs/dbraw/zinc/50/66/38/384506638.db2.gz MLPUMLQFUMUQPZ-MNOVXSKESA-N 2 2 235.331 1.511 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000306119801 384573586 /nfs/dbraw/zinc/57/35/86/384573586.db2.gz ZGQBFYWPCIRLSF-CYBMUJFWSA-N 2 2 233.315 1.280 10 0 BDAELP C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2[N@@H+]1Cc1ccccc1 ZINC000020285695 384611092 /nfs/dbraw/zinc/61/10/92/384611092.db2.gz QEZGAANBMURYQX-BNOWGMLFSA-N 2 2 216.328 1.869 10 0 BDAELP C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2[N@H+]1Cc1ccccc1 ZINC000020285695 384611095 /nfs/dbraw/zinc/61/10/95/384611095.db2.gz QEZGAANBMURYQX-BNOWGMLFSA-N 2 2 216.328 1.869 10 0 BDAELP [NH3+][C@H]1CC[C@H](Nc2[nH+]cccc2O)CC1 ZINC000100267886 384628302 /nfs/dbraw/zinc/62/83/02/384628302.db2.gz MEHZSQBYJVIZNF-DTORHVGOSA-N 2 2 207.277 1.469 10 0 BDAELP [NH3+][C@@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000100278746 384630761 /nfs/dbraw/zinc/63/07/61/384630761.db2.gz MGUFXDGIOHHUKA-GJZGRUSLSA-N 2 2 248.370 1.751 10 0 BDAELP [NH3+][C@@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000100278746 384630764 /nfs/dbraw/zinc/63/07/64/384630764.db2.gz MGUFXDGIOHHUKA-GJZGRUSLSA-N 2 2 248.370 1.751 10 0 BDAELP CC(C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637942 384957042 /nfs/dbraw/zinc/95/70/42/384957042.db2.gz OCQFVVQXXBUIAZ-XQQFMLRXSA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637942 384957050 /nfs/dbraw/zinc/95/70/50/384957050.db2.gz OCQFVVQXXBUIAZ-XQQFMLRXSA-N 2 2 240.391 1.730 10 0 BDAELP CCOCCn1c(CCC[NH3+])[nH+]c2ccccc21 ZINC000040163859 385683317 /nfs/dbraw/zinc/68/33/17/385683317.db2.gz SGFFCTKCWQSHGQ-UHFFFAOYSA-N 2 2 247.342 1.964 10 0 BDAELP c1c[nH+]c(N2CCCC2)c(O[C@@H]2CC[NH2+]C2)c1 ZINC000216638571 385870204 /nfs/dbraw/zinc/87/02/04/385870204.db2.gz JJXSETYGAHGFNR-LLVKDONJSA-N 2 2 233.315 1.423 10 0 BDAELP C[NH+](C)[C@@H]1CCC[C@@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401296 386455932 /nfs/dbraw/zinc/45/59/32/386455932.db2.gz JILWGYSCRUUVRA-KOLCDFICSA-N 2 2 208.309 1.068 10 0 BDAELP C[NH+](C)[C@H]1CCC[C@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401295 386456029 /nfs/dbraw/zinc/45/60/29/386456029.db2.gz JILWGYSCRUUVRA-GXSJLCMTSA-N 2 2 208.309 1.068 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccncc1 ZINC000396590361 386781398 /nfs/dbraw/zinc/78/13/98/386781398.db2.gz STTRIUWPSRRYKH-DMDPSCGWSA-N 2 2 219.332 1.873 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000246382374 387081662 /nfs/dbraw/zinc/08/16/62/387081662.db2.gz JXNFIFMYFWDWHU-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000246382374 387081669 /nfs/dbraw/zinc/08/16/69/387081669.db2.gz JXNFIFMYFWDWHU-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336268220 387101938 /nfs/dbraw/zinc/10/19/38/387101938.db2.gz PNLMLLRGHTUORO-OLZOCXBDSA-N 2 2 248.374 1.648 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000575587925 387181407 /nfs/dbraw/zinc/18/14/07/387181407.db2.gz ABTTVYQBNAVCAD-XFWSIPNHSA-N 2 2 200.351 1.030 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@@H](C)[C@@H]1C ZINC000575587925 387181410 /nfs/dbraw/zinc/18/14/10/387181410.db2.gz ABTTVYQBNAVCAD-XFWSIPNHSA-N 2 2 200.351 1.030 10 0 BDAELP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517918246 388597824 /nfs/dbraw/zinc/59/78/24/388597824.db2.gz ADYZANLHZWPYLT-BFHYXJOUSA-N 3 2 241.423 1.694 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000379291034 388605772 /nfs/dbraw/zinc/60/57/72/388605772.db2.gz JWVUDTRDXLWWSK-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCCO2)C1 ZINC000379291034 388605774 /nfs/dbraw/zinc/60/57/74/388605774.db2.gz JWVUDTRDXLWWSK-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP COCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246238741 388625773 /nfs/dbraw/zinc/62/57/73/388625773.db2.gz NSZDJLNJJSLDKS-FRRDWIJNSA-N 2 2 228.380 1.730 10 0 BDAELP COCC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246238741 388625776 /nfs/dbraw/zinc/62/57/76/388625776.db2.gz NSZDJLNJJSLDKS-FRRDWIJNSA-N 2 2 228.380 1.730 10 0 BDAELP C/C(=C\Cl)C[N@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC000575484537 388868495 /nfs/dbraw/zinc/86/84/95/388868495.db2.gz YQUTWMCKWNAYNY-STFJZOTBSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC000575484537 388868497 /nfs/dbraw/zinc/86/84/97/388868497.db2.gz YQUTWMCKWNAYNY-STFJZOTBSA-N 2 2 202.729 1.941 10 0 BDAELP C[C@@H]1C[NH2+][C@]2(CC[NH2+][C@@H](C)C2)SC1 ZINC000575511372 389009362 /nfs/dbraw/zinc/00/93/62/389009362.db2.gz DHFSNLWNWWSTCG-KXUCPTDWSA-N 2 2 200.351 1.427 10 0 BDAELP C[C@@H]1CCCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396143 132360018 /nfs/dbraw/zinc/36/00/18/132360018.db2.gz YXXRNGCSOVKQTC-SNVBAGLBSA-N 2 2 205.305 1.919 10 0 BDAELP CC[C@@H]([NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000036871982 132342823 /nfs/dbraw/zinc/34/28/23/132342823.db2.gz RHIHJKWJMDRKOM-CQSZACIVSA-N 2 2 247.386 1.854 10 0 BDAELP Cc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc[nH+]1 ZINC000235340867 132391234 /nfs/dbraw/zinc/39/12/34/132391234.db2.gz GNWSMICDAJWQRP-MWLCHTKSSA-N 2 2 220.320 1.349 10 0 BDAELP C[C@@H]([NH3+])C[NH+]1CCC(c2nccs2)CC1 ZINC000336170993 134115175 /nfs/dbraw/zinc/11/51/75/134115175.db2.gz UIYYPKXWAVQRRT-SECBINFHSA-N 2 2 225.361 1.670 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000180133180 134323649 /nfs/dbraw/zinc/32/36/49/134323649.db2.gz GIIIMIYOUVDXBP-CYBMUJFWSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000180133180 134323650 /nfs/dbraw/zinc/32/36/50/134323650.db2.gz GIIIMIYOUVDXBP-CYBMUJFWSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc[nH]n1 ZINC000180133166 134324029 /nfs/dbraw/zinc/32/40/29/134324029.db2.gz GIIIMIYOUVDXBP-ZDUSSCGKSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc[nH]n1 ZINC000180133166 134324030 /nfs/dbraw/zinc/32/40/30/134324030.db2.gz GIIIMIYOUVDXBP-ZDUSSCGKSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])nc[nH+]1 ZINC000261533064 135164377 /nfs/dbraw/zinc/16/43/77/135164377.db2.gz GNWSMICDAJWQRP-ONGXEEELSA-N 2 2 220.320 1.349 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261549590 135188342 /nfs/dbraw/zinc/18/83/42/135188342.db2.gz KRJAQMZWIPIDFJ-ZDUSSCGKSA-N 2 2 235.306 1.406 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261549590 135188344 /nfs/dbraw/zinc/18/83/44/135188344.db2.gz KRJAQMZWIPIDFJ-ZDUSSCGKSA-N 2 2 235.306 1.406 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261552678 135192448 /nfs/dbraw/zinc/19/24/48/135192448.db2.gz NELSVRCROAVNAI-DGCLKSJQSA-N 2 2 235.306 1.405 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261552678 135192449 /nfs/dbraw/zinc/19/24/49/135192449.db2.gz NELSVRCROAVNAI-DGCLKSJQSA-N 2 2 235.306 1.405 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000262964298 135325115 /nfs/dbraw/zinc/32/51/15/135325115.db2.gz LAKYMPCIIAQXNP-UONOGXRCSA-N 2 2 234.343 1.533 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000262964298 135325116 /nfs/dbraw/zinc/32/51/16/135325116.db2.gz LAKYMPCIIAQXNP-UONOGXRCSA-N 2 2 234.343 1.533 10 0 BDAELP Cn1cc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cn1 ZINC000162933514 397784339 /nfs/dbraw/zinc/78/43/39/397784339.db2.gz QGIQTMNREZESQR-CYBMUJFWSA-N 2 2 245.330 1.454 10 0 BDAELP Cn1cc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)cn1 ZINC000162933514 397784344 /nfs/dbraw/zinc/78/43/44/397784344.db2.gz QGIQTMNREZESQR-CYBMUJFWSA-N 2 2 245.330 1.454 10 0 BDAELP [NH3+][C@H]1CCC[N@H+](C[C@H](O)c2ccccc2)C1 ZINC000041030049 397941737 /nfs/dbraw/zinc/94/17/37/397941737.db2.gz FQEXLBOWSLGBSB-STQMWFEESA-N 2 2 220.316 1.143 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000041030049 397941742 /nfs/dbraw/zinc/94/17/42/397941742.db2.gz FQEXLBOWSLGBSB-STQMWFEESA-N 2 2 220.316 1.143 10 0 BDAELP C[NH2+]C1CC[NH+](C/C(C)=C/Cl)CC1 ZINC000231993630 397988193 /nfs/dbraw/zinc/98/81/93/397988193.db2.gz HRTHSUFWDHCALF-VQHVLOKHSA-N 2 2 202.729 1.813 10 0 BDAELP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000662264347 409561917 /nfs/dbraw/zinc/56/19/17/409561917.db2.gz JELOKKDCRRKWCN-RYUDHWBXSA-N 2 2 212.337 1.143 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](CO)C(C)(C)C ZINC000393982939 410549057 /nfs/dbraw/zinc/54/90/57/410549057.db2.gz SVKKEDZTTMPTOH-WDEREUQCSA-N 2 2 214.353 1.077 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H](CO)C(C)(C)C ZINC000393982939 410549063 /nfs/dbraw/zinc/54/90/63/410549063.db2.gz SVKKEDZTTMPTOH-WDEREUQCSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)[C@@H](C[NH3+])[NH+]1Cc2ccccc2C1 ZINC000050910617 167397678 /nfs/dbraw/zinc/39/76/78/167397678.db2.gz CCNYJLZWELBDKZ-CYBMUJFWSA-N 2 2 204.317 1.986 10 0 BDAELP COc1ccc[nH+]c1NC[C@H]1CC[NH2+]C1 ZINC000107203713 411132775 /nfs/dbraw/zinc/13/27/75/411132775.db2.gz BKVSHYTXYKMYGW-VIFPVBQESA-N 2 2 207.277 1.112 10 0 BDAELP [NH3+]C[C@]12CCC[C@H]1CN(c1cccc[nH+]1)C2 ZINC000309408861 411241643 /nfs/dbraw/zinc/24/16/43/411241643.db2.gz FSGYXBLPWXBGJP-AAEUAGOBSA-N 2 2 217.316 1.647 10 0 BDAELP CC1CC[NH+](Cc2csc(C[NH3+])n2)CC1 ZINC000032015106 168184338 /nfs/dbraw/zinc/18/43/38/168184338.db2.gz DIZOBUYOVPUVRO-UHFFFAOYSA-N 2 2 225.361 1.834 10 0 BDAELP C[NH2+]Cc1ccccc1CNc1cc[nH+]c(C)n1 ZINC000404628417 411402099 /nfs/dbraw/zinc/40/20/99/411402099.db2.gz DSKKPRBCCVLKSO-UHFFFAOYSA-N 2 2 242.326 1.538 10 0 BDAELP C[NH2+]Cc1ccccc1CNc1cc(C)[nH+]cn1 ZINC000404648952 411403623 /nfs/dbraw/zinc/40/36/23/411403623.db2.gz QFXLDCQJFYDBST-UHFFFAOYSA-N 2 2 242.326 1.538 10 0 BDAELP C[C@@H](O)C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000306150025 411436301 /nfs/dbraw/zinc/43/63/01/411436301.db2.gz CKHYGVPXDIJEPM-QWHCGFSZSA-N 2 2 236.359 1.477 10 0 BDAELP C[C@@H](O)C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000306150025 411436303 /nfs/dbraw/zinc/43/63/03/411436303.db2.gz CKHYGVPXDIJEPM-QWHCGFSZSA-N 2 2 236.359 1.477 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336654091 169967894 /nfs/dbraw/zinc/96/78/94/169967894.db2.gz JYAZMTBJFHXYCZ-QWHCGFSZSA-N 3 2 227.396 1.578 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336654091 169967897 /nfs/dbraw/zinc/96/78/97/169967897.db2.gz JYAZMTBJFHXYCZ-QWHCGFSZSA-N 3 2 227.396 1.578 10 0 BDAELP CC[N@@H+]1CC[C@@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666738 170006199 /nfs/dbraw/zinc/00/61/99/170006199.db2.gz HPAHYAHOXKAVIE-CYBMUJFWSA-N 3 2 225.380 1.014 10 0 BDAELP CC[N@H+]1CC[C@@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666738 170006201 /nfs/dbraw/zinc/00/62/01/170006201.db2.gz HPAHYAHOXKAVIE-CYBMUJFWSA-N 3 2 225.380 1.014 10 0 BDAELP O[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657327145 411466561 /nfs/dbraw/zinc/46/65/61/411466561.db2.gz UUIYHQGQBVTJPK-PWSUYJOCSA-N 2 2 235.331 1.222 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000328286475 170020620 /nfs/dbraw/zinc/02/06/20/170020620.db2.gz SZSOZZLZYSUFOQ-MNOVXSKESA-N 2 2 214.378 1.423 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000328286475 170020622 /nfs/dbraw/zinc/02/06/22/170020622.db2.gz SZSOZZLZYSUFOQ-MNOVXSKESA-N 2 2 214.378 1.423 10 0 BDAELP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000328277859 170021731 /nfs/dbraw/zinc/02/17/31/170021731.db2.gz RDAVQLVGTWHWMT-XQQFMLRXSA-N 2 2 225.380 1.153 10 0 BDAELP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000328277859 170021732 /nfs/dbraw/zinc/02/17/32/170021732.db2.gz RDAVQLVGTWHWMT-XQQFMLRXSA-N 2 2 225.380 1.153 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCOC)C1 ZINC000328143535 170022788 /nfs/dbraw/zinc/02/27/88/170022788.db2.gz BQHMZBXOKAXUOB-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCOC)C1 ZINC000328143535 170022789 /nfs/dbraw/zinc/02/27/89/170022789.db2.gz BQHMZBXOKAXUOB-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059479 170025780 /nfs/dbraw/zinc/02/57/80/170025780.db2.gz DWFGVHIDTDDUJN-UHFFFAOYSA-N 2 2 225.361 1.715 10 0 BDAELP CC[N@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059479 170025781 /nfs/dbraw/zinc/02/57/81/170025781.db2.gz DWFGVHIDTDDUJN-UHFFFAOYSA-N 2 2 225.361 1.715 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)COC)[C@@H](C)C1 ZINC000309049426 170035812 /nfs/dbraw/zinc/03/58/12/170035812.db2.gz PZPHDFKJRYWDSI-SRVKXCTJSA-N 2 2 214.353 1.199 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)COC)[C@@H](C)C1 ZINC000309049426 170035814 /nfs/dbraw/zinc/03/58/14/170035814.db2.gz PZPHDFKJRYWDSI-SRVKXCTJSA-N 2 2 214.353 1.199 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000336781205 170037076 /nfs/dbraw/zinc/03/70/76/170037076.db2.gz UBWADSKARBNFQO-AAEUAGOBSA-N 2 2 221.348 1.455 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]Cc2ccn(C)c2)[C@@H](C)C1 ZINC000336781205 170037077 /nfs/dbraw/zinc/03/70/77/170037077.db2.gz UBWADSKARBNFQO-AAEUAGOBSA-N 2 2 221.348 1.455 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000309959435 170039362 /nfs/dbraw/zinc/03/93/62/170039362.db2.gz KHIXCOIJICXYGL-LOWDOPEQSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000309959435 170039363 /nfs/dbraw/zinc/03/93/63/170039363.db2.gz KHIXCOIJICXYGL-LOWDOPEQSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000336778922 170039397 /nfs/dbraw/zinc/03/93/97/170039397.db2.gz MRYFIHMWVZEGGX-WUHRBBMRSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000336778922 170039398 /nfs/dbraw/zinc/03/93/98/170039398.db2.gz MRYFIHMWVZEGGX-WUHRBBMRSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336758797 170039932 /nfs/dbraw/zinc/03/99/32/170039932.db2.gz JXNQVIAOLGJVNU-QCNOEVLYSA-N 2 2 228.405 1.668 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@H]2C)C1 ZINC000336758797 170039933 /nfs/dbraw/zinc/03/99/33/170039933.db2.gz JXNQVIAOLGJVNU-QCNOEVLYSA-N 2 2 228.405 1.668 10 0 BDAELP CC[NH2+]CC(C)(C)CN1CCn2cc[nH+]c2C1 ZINC000062322253 170110438 /nfs/dbraw/zinc/11/04/38/170110438.db2.gz ODVIWYIXQYRQEH-UHFFFAOYSA-N 2 2 236.363 1.334 10 0 BDAELP CC[NH2+][C@@H](C)[C@H](C)[N@@H+]1CCCOCC1 ZINC000061917904 170141387 /nfs/dbraw/zinc/14/13/87/170141387.db2.gz PXUDGYZWDVEPJE-QWRGUYRKSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@@H](C)[C@H](C)[N@H+]1CCCOCC1 ZINC000061917904 170141388 /nfs/dbraw/zinc/14/13/88/170141388.db2.gz PXUDGYZWDVEPJE-QWRGUYRKSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000104194843 170150754 /nfs/dbraw/zinc/15/07/54/170150754.db2.gz 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/nfs/dbraw/zinc/94/59/48/411945948.db2.gz KHFNKHISMDFPNX-GFCCVEGCSA-N 2 2 235.331 1.226 10 0 BDAELP Nc1cc([C@@H]2CCCC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616654044 411945952 /nfs/dbraw/zinc/94/59/52/411945952.db2.gz KHFNKHISMDFPNX-GFCCVEGCSA-N 2 2 235.331 1.226 10 0 BDAELP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265931 412058630 /nfs/dbraw/zinc/05/86/30/412058630.db2.gz UNJNDJBHKWQUGW-QWHCGFSZSA-N 2 2 226.364 1.533 10 0 BDAELP CC[C@@](C)(C[NH2+]C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191476 171166389 /nfs/dbraw/zinc/16/63/89/171166389.db2.gz ZNRDXXVRSOGQDE-KGLIPLIRSA-N 3 2 241.423 1.506 10 0 BDAELP CC[C@@](C)(C[NH2+]C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191476 171166392 /nfs/dbraw/zinc/16/63/92/171166392.db2.gz ZNRDXXVRSOGQDE-KGLIPLIRSA-N 3 2 241.423 1.506 10 0 BDAELP CC[C@@](C)(C[NH2+]C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191476 171166395 /nfs/dbraw/zinc/16/63/95/171166395.db2.gz ZNRDXXVRSOGQDE-KGLIPLIRSA-N 3 2 241.423 1.506 10 0 BDAELP CC[C@@](C)(C[NH2+]C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191476 171166397 /nfs/dbraw/zinc/16/63/97/171166397.db2.gz ZNRDXXVRSOGQDE-KGLIPLIRSA-N 3 2 241.423 1.506 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCCOCC1 ZINC000061934789 171396531 /nfs/dbraw/zinc/39/65/31/171396531.db2.gz MQBMDBAEGGDGPN-WDEREUQCSA-N 2 2 200.326 1.082 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCCOCC1 ZINC000061934789 171396532 /nfs/dbraw/zinc/39/65/32/171396532.db2.gz MQBMDBAEGGDGPN-WDEREUQCSA-N 2 2 200.326 1.082 10 0 BDAELP C[NH2+]C[C@@H](C)Nc1[nH+]c2ccccc2n1C ZINC000663278605 412407447 /nfs/dbraw/zinc/40/74/47/412407447.db2.gz KSDSRNJAWPFDGX-SECBINFHSA-N 2 2 218.304 1.593 10 0 BDAELP CCn1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000051360265 172165611 /nfs/dbraw/zinc/16/56/11/172165611.db2.gz AKNVFSIYJUALNZ-KBPBESRZSA-N 2 2 248.374 1.619 10 0 BDAELP CCn1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000051360265 172165614 /nfs/dbraw/zinc/16/56/14/172165614.db2.gz AKNVFSIYJUALNZ-KBPBESRZSA-N 2 2 248.374 1.619 10 0 BDAELP C[N@H+]1CCC[C@H](NC2=[NH+]CCCS2)C1 ZINC000040715964 173046317 /nfs/dbraw/zinc/04/63/17/173046317.db2.gz BYUARESUNIWODL-VIFPVBQESA-N 2 2 213.350 1.163 10 0 BDAELP C[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086831280 173108676 /nfs/dbraw/zinc/10/86/76/173108676.db2.gz SZBPZEZKQGPSRT-SECBINFHSA-N 2 2 241.722 1.478 10 0 BDAELP C[N@H+]1CCO[C@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086831280 173108677 /nfs/dbraw/zinc/10/86/77/173108677.db2.gz SZBPZEZKQGPSRT-SECBINFHSA-N 2 2 241.722 1.478 10 0 BDAELP C[N@@H+]1CC[C@@H](Nc2ccc[nH+]c2N2CCCC2)C1 ZINC000061985052 173125301 /nfs/dbraw/zinc/12/53/01/173125301.db2.gz GYGCKLRSPKJLSE-GFCCVEGCSA-N 2 2 246.358 1.798 10 0 BDAELP C[N@H+]1CC[C@@H](Nc2ccc[nH+]c2N2CCCC2)C1 ZINC000061985052 173125303 /nfs/dbraw/zinc/12/53/03/173125303.db2.gz GYGCKLRSPKJLSE-GFCCVEGCSA-N 2 2 246.358 1.798 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccccc1C ZINC000077299972 173353137 /nfs/dbraw/zinc/35/31/37/173353137.db2.gz CNQCXJDEGRZBSB-UHFFFAOYSA-N 2 2 206.333 1.689 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccccc1C ZINC000077299972 173353138 /nfs/dbraw/zinc/35/31/38/173353138.db2.gz CNQCXJDEGRZBSB-UHFFFAOYSA-N 2 2 206.333 1.689 10 0 BDAELP C[NH2+]CCc1[nH+]c2cc(C)ccc2n1C ZINC000043598756 173360904 /nfs/dbraw/zinc/36/09/04/173360904.db2.gz KPPQUXADYLZWIE-UHFFFAOYSA-N 2 2 203.289 1.644 10 0 BDAELP C[NH2+]CCc1[nH+]c2cc(OC)ccc2n1C ZINC000074297958 173361111 /nfs/dbraw/zinc/36/11/11/173361111.db2.gz PFVUUMFJWOSZAM-UHFFFAOYSA-N 2 2 219.288 1.344 10 0 BDAELP C[NH2+]Cc1ccoc1C[NH+]1CCN(C2CC2)CC1 ZINC000052371291 173391515 /nfs/dbraw/zinc/39/15/15/173391515.db2.gz IFZMDEAALMBVSL-UHFFFAOYSA-N 2 2 249.358 1.279 10 0 BDAELP COC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000336773444 174019012 /nfs/dbraw/zinc/01/90/12/174019012.db2.gz WDFCKEDWUJVRGS-IKWCTNDRSA-N 2 2 226.364 1.482 10 0 BDAELP COC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000336773444 174019013 /nfs/dbraw/zinc/01/90/13/174019013.db2.gz WDFCKEDWUJVRGS-IKWCTNDRSA-N 2 2 226.364 1.482 10 0 BDAELP COC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000336773446 174020083 /nfs/dbraw/zinc/02/00/83/174020083.db2.gz WDFCKEDWUJVRGS-XVSSEFHLSA-N 2 2 226.364 1.482 10 0 BDAELP COC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000336773446 174020085 /nfs/dbraw/zinc/02/00/85/174020085.db2.gz WDFCKEDWUJVRGS-XVSSEFHLSA-N 2 2 226.364 1.482 10 0 BDAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)C ZINC000053649643 174308956 /nfs/dbraw/zinc/30/89/56/174308956.db2.gz PVHBHTUPHNIKHW-NSHDSACASA-N 2 2 214.353 1.485 10 0 BDAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)C ZINC000053649643 174308957 /nfs/dbraw/zinc/30/89/57/174308957.db2.gz PVHBHTUPHNIKHW-NSHDSACASA-N 2 2 214.353 1.485 10 0 BDAELP COc1ccc([NH2+]CCC[NH3+])c(OC)c1C ZINC000107287835 175150475 /nfs/dbraw/zinc/15/04/75/175150475.db2.gz ZSCCMGGFVZVBMM-UHFFFAOYSA-N 2 2 224.304 1.773 10 0 BDAELP COc1ccc([C@@H]([C@@H](C)[NH3+])n2cc[nH+]c2)cc1 ZINC000042962237 175181723 /nfs/dbraw/zinc/18/17/23/175181723.db2.gz NXUADRIVWJVLBY-ZWNOBZJWSA-N 2 2 231.299 1.828 10 0 BDAELP COc1cccc([C@@H]([NH3+])Cn2cc[nH+]c2)c1 ZINC000038827606 175288607 /nfs/dbraw/zinc/28/86/07/175288607.db2.gz UWTZXZMMVPLVJV-LBPRGKRZSA-N 2 2 217.272 1.592 10 0 BDAELP COc1ccccc1CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000057954320 175322569 /nfs/dbraw/zinc/32/25/69/175322569.db2.gz DISHLLBZEMOURI-ZDUSSCGKSA-N 2 2 234.343 1.661 10 0 BDAELP COc1ccccc1CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000057954320 175322572 /nfs/dbraw/zinc/32/25/72/175322572.db2.gz DISHLLBZEMOURI-ZDUSSCGKSA-N 2 2 234.343 1.661 10 0 BDAELP COc1nc(C)c(C[NH2+]CCC[NH+](C)C)s1 ZINC000045205514 175389264 /nfs/dbraw/zinc/38/92/64/175389264.db2.gz IGWGCFSKNVIFCQ-UHFFFAOYSA-N 2 2 243.376 1.501 10 0 BDAELP C[C@@H](c1ccc(O)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086839 176016348 /nfs/dbraw/zinc/01/63/48/176016348.db2.gz LGDOMGDBJVZOMZ-NSHDSACASA-N 2 2 220.316 1.749 10 0 BDAELP C[C@@H](c1ccc(O)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000038086839 176016350 /nfs/dbraw/zinc/01/63/50/176016350.db2.gz LGDOMGDBJVZOMZ-NSHDSACASA-N 2 2 220.316 1.749 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccnc1 ZINC000022220102 176075667 /nfs/dbraw/zinc/07/56/67/176075667.db2.gz UUSFDSHCVAQPRZ-YPMHNXCESA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccnc1 ZINC000022220102 176075668 /nfs/dbraw/zinc/07/56/68/176075668.db2.gz UUSFDSHCVAQPRZ-YPMHNXCESA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H]1CCC[C@@](C[NH3+])(N2CCn3cc[nH+]c3C2)C1 ZINC000062249332 176133905 /nfs/dbraw/zinc/13/39/05/176133905.db2.gz RCGZZURRNKIRLK-TZMCWYRMSA-N 2 2 248.374 1.606 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCC2)[C@H](C)CO1 ZINC000035783554 176280407 /nfs/dbraw/zinc/28/04/07/176280407.db2.gz MHUZOZIRJVELMG-GHMZBOCLSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCC2)[C@H](C)CO1 ZINC000035783554 176280409 /nfs/dbraw/zinc/28/04/09/176280409.db2.gz MHUZOZIRJVELMG-GHMZBOCLSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@H]([NH3+])CC[NH+]1CCN(c2nccs2)CC1 ZINC000037476690 176759417 /nfs/dbraw/zinc/75/94/17/176759417.db2.gz NFZKIQMKBPOMHZ-JTQLQIEISA-N 2 2 240.376 1.002 10 0 BDAELP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000070634491 176861104 /nfs/dbraw/zinc/86/11/04/176861104.db2.gz BRXGKRMKDTYYFJ-DTWKUNHWSA-N 2 2 211.334 1.403 10 0 BDAELP C[C@H](c1cccc(O)c1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027866 177038050 /nfs/dbraw/zinc/03/80/50/177038050.db2.gz GKPJBVUBJZRBSP-PWSUYJOCSA-N 2 2 220.316 1.876 10 0 BDAELP C[C@H](c1cccc(O)c1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027866 177038052 /nfs/dbraw/zinc/03/80/52/177038052.db2.gz GKPJBVUBJZRBSP-PWSUYJOCSA-N 2 2 220.316 1.876 10 0 BDAELP C[C@H]1CCC[C@](C[NH3+])([NH+]2CCOCC2)C1 ZINC000019511843 177143755 /nfs/dbraw/zinc/14/37/55/177143755.db2.gz ZGOOFFOWCCIXBX-RYUDHWBXSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@H]1C[N@H+](C/C=C/c2ccccc2)C[C@@H]1[NH3+] ZINC000235637436 177241262 /nfs/dbraw/zinc/24/12/62/177241262.db2.gz WXKQVEZFJJBEBQ-PDCFVHEKSA-N 2 2 216.328 1.979 10 0 BDAELP C[C@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@@H]1[NH3+] ZINC000235637436 177241263 /nfs/dbraw/zinc/24/12/63/177241263.db2.gz WXKQVEZFJJBEBQ-PDCFVHEKSA-N 2 2 216.328 1.979 10 0 BDAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000037479564 177244908 /nfs/dbraw/zinc/24/49/08/177244908.db2.gz NLEHIOXWNLRPGT-PHIMTYICSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1C[N@H+](CC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000037479564 177244911 /nfs/dbraw/zinc/24/49/11/177244911.db2.gz NLEHIOXWNLRPGT-PHIMTYICSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@H]1C[NH+](Cc2ccoc2C[NH3+])C[C@H](C)O1 ZINC000052380459 177267229 /nfs/dbraw/zinc/26/72/29/177267229.db2.gz GRODIIBMSQVSHC-UWVGGRQHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccoc2C[NH3+])C[C@H](C)O1 ZINC000052380457 177268502 /nfs/dbraw/zinc/26/85/02/177268502.db2.gz GRODIIBMSQVSHC-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccoc2C[NH3+])C[C@H](C)O1 ZINC000052380457 177268504 /nfs/dbraw/zinc/26/85/04/177268504.db2.gz GRODIIBMSQVSHC-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])c2cccs2)CCCO1 ZINC000061913350 177275186 /nfs/dbraw/zinc/27/51/86/177275186.db2.gz IIMJKWUTNCSCSD-QWRGUYRKSA-N 2 2 240.372 1.859 10 0 BDAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])c2cccs2)CCCO1 ZINC000061913350 177275188 /nfs/dbraw/zinc/27/51/88/177275188.db2.gz IIMJKWUTNCSCSD-QWRGUYRKSA-N 2 2 240.372 1.859 10 0 BDAELP Cc1ccccc1C[N@@H+]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC000503713131 226333339 /nfs/dbraw/zinc/33/33/39/226333339.db2.gz PFVIGWYJGUBRJO-ZIAGYGMSSA-N 2 2 216.328 1.789 10 0 BDAELP Cc1ccccc1C[N@H+]1C[C@H]2CC[NH2+][C@@H]2C1 ZINC000503713131 226333340 /nfs/dbraw/zinc/33/33/40/226333340.db2.gz PFVIGWYJGUBRJO-ZIAGYGMSSA-N 2 2 216.328 1.789 10 0 BDAELP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915102 487867509 /nfs/dbraw/zinc/86/75/09/487867509.db2.gz SELLYHRVQQMRAA-NSHDSACASA-N 2 2 245.330 1.301 10 0 BDAELP C[N@H+](Cc1cc[nH]n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915102 487867514 /nfs/dbraw/zinc/86/75/14/487867514.db2.gz SELLYHRVQQMRAA-NSHDSACASA-N 2 2 245.330 1.301 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142404 488080258 /nfs/dbraw/zinc/08/02/58/488080258.db2.gz HLXFLALDWIGOBT-TZMCWYRMSA-N 3 2 239.407 1.401 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142404 488080263 /nfs/dbraw/zinc/08/02/63/488080263.db2.gz HLXFLALDWIGOBT-TZMCWYRMSA-N 3 2 239.407 1.401 10 0 BDAELP Cc1cc(NC(=O)C2CCC([NH3+])CC2)cc[nH+]1 ZINC000257749593 488087926 /nfs/dbraw/zinc/08/79/26/488087926.db2.gz ZNXMSUNQMKZBSD-UHFFFAOYSA-N 2 2 233.315 1.846 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667796674 488123679 /nfs/dbraw/zinc/12/36/79/488123679.db2.gz RNUBRSXBLOMKBY-BFHYXJOUSA-N 2 2 238.375 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000667796674 488123681 /nfs/dbraw/zinc/12/36/81/488123681.db2.gz RNUBRSXBLOMKBY-BFHYXJOUSA-N 2 2 238.375 1.628 10 0 BDAELP C[C@H]1CC[C@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000399318846 487470789 /nfs/dbraw/zinc/47/07/89/487470789.db2.gz HGAHJWPYIIJEOX-AAEUAGOBSA-N 2 2 237.347 1.198 10 0 BDAELP C[C@H]1CC[C@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000399318846 487470793 /nfs/dbraw/zinc/47/07/93/487470793.db2.gz HGAHJWPYIIJEOX-AAEUAGOBSA-N 2 2 237.347 1.198 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000129554016 490151233 /nfs/dbraw/zinc/15/12/33/490151233.db2.gz JOEITBPPUXFPNL-NMKXLXIOSA-N 2 2 238.375 1.505 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000129554016 490151241 /nfs/dbraw/zinc/15/12/41/490151241.db2.gz JOEITBPPUXFPNL-NMKXLXIOSA-N 2 2 238.375 1.505 10 0 BDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000246495389 490204237 /nfs/dbraw/zinc/20/42/37/490204237.db2.gz MQZCTMQXPIZJRB-STQMWFEESA-N 2 2 248.374 1.479 10 0 BDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000246495389 490204247 /nfs/dbraw/zinc/20/42/47/490204247.db2.gz MQZCTMQXPIZJRB-STQMWFEESA-N 2 2 248.374 1.479 10 0 BDAELP CC1(C)CCC[C@H](C[N@@H+]2CC[C@H]2C[NH3+])O1 ZINC000757145514 582527925 /nfs/dbraw/zinc/52/79/25/582527925.db2.gz MUUHQTRUBOSGAX-WDEREUQCSA-N 2 2 212.337 1.367 10 0 BDAELP CC1(C)CCC[C@H](C[N@H+]2CC[C@H]2C[NH3+])O1 ZINC000757145514 582527928 /nfs/dbraw/zinc/52/79/28/582527928.db2.gz MUUHQTRUBOSGAX-WDEREUQCSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cccc(N)c2)[C@H]1[NH3+] ZINC000757218022 582562778 /nfs/dbraw/zinc/56/27/78/582562778.db2.gz USJVXNGEEJYDDB-ZHAHWJHGSA-N 2 2 205.305 1.267 10 0 BDAELP CC(C)C[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035367754 535105801 /nfs/dbraw/zinc/10/58/01/535105801.db2.gz GLEGVQXZOJSYSA-UHFFFAOYSA-N 2 2 234.347 1.442 10 0 BDAELP CCn1nccc1C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261565038 535870468 /nfs/dbraw/zinc/87/04/68/535870468.db2.gz YBCFIQDFGNNNCK-GFCCVEGCSA-N 2 2 236.363 1.462 10 0 BDAELP CCn1nccc1C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261565038 535870476 /nfs/dbraw/zinc/87/04/76/535870476.db2.gz YBCFIQDFGNNNCK-GFCCVEGCSA-N 2 2 236.363 1.462 10 0 BDAELP C[NH2+][C@@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000261569065 536344575 /nfs/dbraw/zinc/34/45/75/536344575.db2.gz GBDQSCOERSWSGJ-JTQLQIEISA-N 2 2 222.336 1.928 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757124896 582500174 /nfs/dbraw/zinc/50/01/74/582500174.db2.gz CLEGSSOTUQATHQ-WDEREUQCSA-N 2 2 200.301 1.562 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757124896 582500175 /nfs/dbraw/zinc/50/01/75/582500175.db2.gz CLEGSSOTUQATHQ-WDEREUQCSA-N 2 2 200.301 1.562 10 0 BDAELP C[C@@H]1C[C@H]1[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126430 582500580 /nfs/dbraw/zinc/50/05/80/582500580.db2.gz FRMAEGNKRRCBJI-BNOWGMLFSA-N 2 2 220.360 1.955 10 0 BDAELP C[C@@H]1C[C@H]1[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757126430 582500582 /nfs/dbraw/zinc/50/05/82/582500582.db2.gz FRMAEGNKRRCBJI-BNOWGMLFSA-N 2 2 220.360 1.955 10 0 BDAELP COC[C@@H](C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757133839 582510615 /nfs/dbraw/zinc/51/06/15/582510615.db2.gz VDOZXUMQBILGKM-TZMCWYRMSA-N 2 2 238.375 1.582 10 0 BDAELP COC[C@@H](C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757133839 582510617 /nfs/dbraw/zinc/51/06/17/582510617.db2.gz VDOZXUMQBILGKM-TZMCWYRMSA-N 2 2 238.375 1.582 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]CC[C@H](C)[C@@H]2[NH3+])c1 ZINC000757209839 582560029 /nfs/dbraw/zinc/56/00/29/582560029.db2.gz DBGXRVRFCXUMTL-HERUPUMHSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1C[NH2+][C@H](c2cccc(C[NH3+])c2)[C@@H]([NH3+])C1 ZINC000757213602 586439833 /nfs/dbraw/zinc/43/98/33/586439833.db2.gz LCZIXMTWAXAYFZ-TVYUQYBPSA-N 3 2 219.332 1.143 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@@H]([NH3+])C1 ZINC000757213603 586439858 /nfs/dbraw/zinc/43/98/58/586439858.db2.gz LCZIXMTWAXAYFZ-XDTLVQLUSA-N 3 2 219.332 1.143 10 0 BDAELP CC(=O)c1ccc([C@H]2CC[C@H]([NH3+])C[NH2+]2)cc1 ZINC000757215043 586440162 /nfs/dbraw/zinc/44/01/62/586440162.db2.gz MGLLWJBADLJQJV-QWHCGFSZSA-N 2 2 218.300 1.641 10 0 BDAELP [NH3+][C@@H]1CC[C@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757216096 586440842 /nfs/dbraw/zinc/44/08/42/586440842.db2.gz PEEHWQJLZIYPNI-VXGBXAGGSA-N 2 2 204.273 1.251 10 0 BDAELP CC(C)(C)n1cc([C@@H]2CC[C@H]([NH3+])C[NH2+]2)cn1 ZINC000757231112 586443340 /nfs/dbraw/zinc/44/33/40/586443340.db2.gz GKBLHDPJTVFYOQ-QWRGUYRKSA-N 2 2 222.336 1.390 10 0 BDAELP CC(C)(C)n1cc([C@@H]2[NH2+]CCC[C@H]2[NH3+])cn1 ZINC000757235849 586443812 /nfs/dbraw/zinc/44/38/12/586443812.db2.gz MXQAGOWHVHDLIH-MNOVXSKESA-N 2 2 222.336 1.390 10 0 BDAELP C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161529 591266864 /nfs/dbraw/zinc/26/68/64/591266864.db2.gz CWAMDSHSKZRHIR-KBPBESRZSA-N 3 2 239.407 1.593 10 0 BDAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCO)C1 ZINC000228282769 640869118 /nfs/dbraw/zinc/86/91/18/640869118.db2.gz PVYFHORJYUIGRK-QJPTWQEYSA-N 2 2 214.353 1.076 10 0 BDAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCO)C1 ZINC000228282769 640869120 /nfs/dbraw/zinc/86/91/20/640869120.db2.gz PVYFHORJYUIGRK-QJPTWQEYSA-N 2 2 214.353 1.076 10 0 BDAELP FC(F)(F)SCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000231938917 641217537 /nfs/dbraw/zinc/21/75/37/641217537.db2.gz DRYISMLTDUMBPO-ZCFIWIBFSA-N 2 2 214.256 1.191 10 0 BDAELP CCC(CC)C[N@@H+]1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378806070 712362678 /nfs/dbraw/zinc/36/26/78/712362678.db2.gz XBIXGHQLWWINGE-QWRGUYRKSA-N 2 2 202.317 1.794 10 0 BDAELP CCC(CC)C[N@H+]1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378806070 712362679 /nfs/dbraw/zinc/36/26/79/712362679.db2.gz XBIXGHQLWWINGE-QWRGUYRKSA-N 2 2 202.317 1.794 10 0 BDAELP COc1ccc[nH+]c1NC[C@H]1C[C@H]([NH3+])C1 ZINC000715133028 712513770 /nfs/dbraw/zinc/51/37/70/712513770.db2.gz UKQNJSOKDNMHBX-KYZUINATSA-N 2 2 207.277 1.239 10 0 BDAELP COc1ccc[nH+]c1NC[C@@H]1C[NH2+]C[C@H]1C ZINC000723821085 710733046 /nfs/dbraw/zinc/73/30/46/710733046.db2.gz LVFDJLFONODPJR-ZJUUUORDSA-N 2 2 221.304 1.358 10 0 BDAELP CCc1cc(N2C3CCC2(C[NH3+])CC3)nc(C)[nH+]1 ZINC000722988110 711494118 /nfs/dbraw/zinc/49/41/18/711494118.db2.gz ZURWIIJDEDFKFB-UHFFFAOYSA-N 2 2 246.358 1.808 10 0 BDAELP CC(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000700758737 712004120 /nfs/dbraw/zinc/00/41/20/712004120.db2.gz CCEZRRRXRNWTOF-SRVKXCTJSA-N 2 2 249.358 1.967 10 0 BDAELP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000700758737 712004121 /nfs/dbraw/zinc/00/41/21/712004121.db2.gz CCEZRRRXRNWTOF-SRVKXCTJSA-N 2 2 249.358 1.967 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1C[NH3+] ZINC000708874104 712202090 /nfs/dbraw/zinc/20/20/90/712202090.db2.gz CRCDLJZNPJPNKJ-ZJUUUORDSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1C[NH3+] ZINC000708874104 712202091 /nfs/dbraw/zinc/20/20/91/712202091.db2.gz CRCDLJZNPJPNKJ-ZJUUUORDSA-N 2 2 239.750 1.762 10 0 BDAELP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(c1cccc[nH+]1)C2 ZINC000709796366 712227209 /nfs/dbraw/zinc/22/72/09/712227209.db2.gz VQSVBJDPHBFVKU-AXFHLTTASA-N 2 2 203.289 1.398 10 0 BDAELP CC(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000111690305 712688191 /nfs/dbraw/zinc/68/81/91/712688191.db2.gz BJTQCRIZSVCYIE-ZDUSSCGKSA-N 2 2 235.331 1.574 10 0 BDAELP CC(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000111690305 712688193 /nfs/dbraw/zinc/68/81/93/712688193.db2.gz BJTQCRIZSVCYIE-ZDUSSCGKSA-N 2 2 235.331 1.574 10 0 BDAELP C[C@H]1C[N@H+](CCCC(C)(F)F)C[C@@H]1[NH3+] ZINC000718721127 712778723 /nfs/dbraw/zinc/77/87/23/712778723.db2.gz DWNKIRZZNRWFIH-IUCAKERBSA-N 2 2 206.280 1.701 10 0 BDAELP C[C@H]1C[N@@H+](CCCC(C)(F)F)C[C@@H]1[NH3+] ZINC000718721127 712778725 /nfs/dbraw/zinc/77/87/25/712778725.db2.gz DWNKIRZZNRWFIH-IUCAKERBSA-N 2 2 206.280 1.701 10 0 BDAELP C[C@@H](C[NH2+]CCc1ccccc1)[NH+](C)C ZINC000038088696 712806637 /nfs/dbraw/zinc/80/66/37/712806637.db2.gz LQBOWMQVNIMKGR-LBPRGKRZSA-N 2 2 206.333 1.769 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2CC ZINC000685955208 538900701 /nfs/dbraw/zinc/90/07/01/538900701.db2.gz WDHWSKYRWDIMJG-LBPRGKRZSA-N 3 2 225.380 1.284 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2CC ZINC000685955208 538900703 /nfs/dbraw/zinc/90/07/03/538900703.db2.gz WDHWSKYRWDIMJG-LBPRGKRZSA-N 3 2 225.380 1.284 10 0 BDAELP Cc1cc(N(C)C[C@@H](C)C(N)=[NH2+])nc(C(C)C)[nH+]1 ZINC000042459915 178098229 /nfs/dbraw/zinc/09/82/29/178098229.db2.gz PFWWFRUMKYXNFI-SECBINFHSA-N 2 2 249.362 1.917 10 0 BDAELP Cc1cc(N[C@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000040673346 178188405 /nfs/dbraw/zinc/18/84/05/178188405.db2.gz LXFDXUIKEZCARK-NSHDSACASA-N 2 2 220.320 1.600 10 0 BDAELP Cc1cc(N[C@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000040673346 178188409 /nfs/dbraw/zinc/18/84/09/178188409.db2.gz LXFDXUIKEZCARK-NSHDSACASA-N 2 2 220.320 1.600 10 0 BDAELP Cc1cc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)c(C)o1 ZINC000035382273 178237194 /nfs/dbraw/zinc/23/71/94/178237194.db2.gz VWNHCUBCSFHXNT-JTQLQIEISA-N 2 2 205.261 1.862 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000386518185 398265284 /nfs/dbraw/zinc/26/52/84/398265284.db2.gz NEYKVZGSUFKCQP-FZMZJTMJSA-N 2 2 247.342 1.655 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc3ccnnc32)C1 ZINC000616613026 349603571 /nfs/dbraw/zinc/60/35/71/349603571.db2.gz WEFKZUJDUDJHKK-LBPRGKRZSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc3ccnnc32)C1 ZINC000616613026 349603573 /nfs/dbraw/zinc/60/35/73/349603573.db2.gz WEFKZUJDUDJHKK-LBPRGKRZSA-N 2 2 242.326 1.378 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cncnc2)c[nH+]1 ZINC000188416007 538978561 /nfs/dbraw/zinc/97/85/61/538978561.db2.gz HKPPUYVICHWFKT-CYBMUJFWSA-N 2 2 243.314 1.338 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cncnc2)c[nH+]1 ZINC000188416007 538978562 /nfs/dbraw/zinc/97/85/62/538978562.db2.gz HKPPUYVICHWFKT-CYBMUJFWSA-N 2 2 243.314 1.338 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2CC2=CCCOC2)c[nH+]1 ZINC000188413908 538978867 /nfs/dbraw/zinc/97/88/67/538978867.db2.gz GMRPAQMFBNFHEJ-CQSZACIVSA-N 2 2 247.342 1.694 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2CC2=CCCOC2)c[nH+]1 ZINC000188413908 538978868 /nfs/dbraw/zinc/97/88/68/538978868.db2.gz GMRPAQMFBNFHEJ-CQSZACIVSA-N 2 2 247.342 1.694 10 0 BDAELP Fc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946215 343013071 /nfs/dbraw/zinc/01/30/71/343013071.db2.gz VSVBRMHEELXHMQ-UHFFFAOYSA-N 2 2 219.263 1.881 10 0 BDAELP Fc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946215 343013073 /nfs/dbraw/zinc/01/30/73/343013073.db2.gz VSVBRMHEELXHMQ-UHFFFAOYSA-N 2 2 219.263 1.881 10 0 BDAELP CCc1cnc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400513634 529654167 /nfs/dbraw/zinc/65/41/67/529654167.db2.gz GBCGTUMWZPFNTD-NXEZZACHSA-N 2 2 239.388 1.793 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000072200595 343069048 /nfs/dbraw/zinc/06/90/48/343069048.db2.gz CNYKADRZSFKWSN-LLVKDONJSA-N 2 2 202.257 1.504 10 0 BDAELP c1[nH+]cc(N2CCC[NH2+]CC2)cc1C1CC1 ZINC000013703928 343101851 /nfs/dbraw/zinc/10/18/51/343101851.db2.gz FKQKJHZJNYTNGT-UHFFFAOYSA-N 2 2 217.316 1.759 10 0 BDAELP C[C@H](C[NH3+])[N@H+](Cc1ccccc1)C1CC1 ZINC000043513496 343116537 /nfs/dbraw/zinc/11/65/37/343116537.db2.gz ZLPBUFBEIDHBAR-LLVKDONJSA-N 2 2 204.317 1.998 10 0 BDAELP C[C@H](C[NH3+])[N@@H+](Cc1ccccc1)C1CC1 ZINC000043513496 343116538 /nfs/dbraw/zinc/11/65/38/343116538.db2.gz ZLPBUFBEIDHBAR-LLVKDONJSA-N 2 2 204.317 1.998 10 0 BDAELP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1C[Si](C)(C)C ZINC000401789852 343241417 /nfs/dbraw/zinc/24/14/17/343241417.db2.gz HSTDCYKXQIAYHB-UWVGGRQHSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1C[Si](C)(C)C ZINC000401789852 343241420 /nfs/dbraw/zinc/24/14/20/343241420.db2.gz HSTDCYKXQIAYHB-UWVGGRQHSA-N 2 2 200.402 1.675 10 0 BDAELP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042545295 343443236 /nfs/dbraw/zinc/44/32/36/343443236.db2.gz BJBKCVVGFIFJTQ-GHMZBOCLSA-N 2 2 214.353 1.484 10 0 BDAELP COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042545295 343443238 /nfs/dbraw/zinc/44/32/38/343443238.db2.gz BJBKCVVGFIFJTQ-GHMZBOCLSA-N 2 2 214.353 1.484 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCCO1 ZINC000128589863 349869279 /nfs/dbraw/zinc/86/92/79/349869279.db2.gz PFQYGIUWCFMNRW-KBPBESRZSA-N 2 2 234.343 1.625 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H]1CCCO1 ZINC000128589863 349869280 /nfs/dbraw/zinc/86/92/80/349869280.db2.gz PFQYGIUWCFMNRW-KBPBESRZSA-N 2 2 234.343 1.625 10 0 BDAELP CCOC[C@@]1(C(F)(F)F)CC[N@H+](CC[NH3+])C1 ZINC000409435574 343834140 /nfs/dbraw/zinc/83/41/40/343834140.db2.gz VLMVHKFZILOEEA-SECBINFHSA-N 2 2 240.269 1.236 10 0 BDAELP CCOC[C@@]1(C(F)(F)F)CC[N@@H+](CC[NH3+])C1 ZINC000409435574 343834142 /nfs/dbraw/zinc/83/41/42/343834142.db2.gz VLMVHKFZILOEEA-SECBINFHSA-N 2 2 240.269 1.236 10 0 BDAELP CC(C)=C[C@H]([NH3+])[C@@H]1CSCC[N@H+]1C ZINC000234349674 343943811 /nfs/dbraw/zinc/94/38/11/343943811.db2.gz LPBWCXJZKIVLCD-UWVGGRQHSA-N 2 2 200.351 1.327 10 0 BDAELP CC(C)=C[C@H]([NH3+])[C@@H]1CSCC[N@@H+]1C ZINC000234349674 343943812 /nfs/dbraw/zinc/94/38/12/343943812.db2.gz LPBWCXJZKIVLCD-UWVGGRQHSA-N 2 2 200.351 1.327 10 0 BDAELP CC(C)c1nc(N2CC[C@@H](C[NH3+])C2)cc[nH+]1 ZINC000212411239 344133195 /nfs/dbraw/zinc/13/31/95/344133195.db2.gz OVMHZYCAHNYCAB-JTQLQIEISA-N 2 2 220.320 1.385 10 0 BDAELP CC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473840 187291598 /nfs/dbraw/zinc/29/15/98/187291598.db2.gz JJHNSHRGVGEONN-CYBMUJFWSA-N 2 2 247.342 1.795 10 0 BDAELP CC(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473840 187291599 /nfs/dbraw/zinc/29/15/99/187291599.db2.gz JJHNSHRGVGEONN-CYBMUJFWSA-N 2 2 247.342 1.795 10 0 BDAELP Cc1[nH]c(CN2CC[N@@H+]3CCC[C@H]3C2)[nH+]c1C ZINC000628167318 344878142 /nfs/dbraw/zinc/87/81/42/344878142.db2.gz KVKPIPKRCSCXFK-LBPRGKRZSA-N 2 2 234.347 1.307 10 0 BDAELP Cc1[nH]c(CN2CC[N@H+]3CCC[C@H]3C2)[nH+]c1C ZINC000628167318 344878145 /nfs/dbraw/zinc/87/81/45/344878145.db2.gz KVKPIPKRCSCXFK-LBPRGKRZSA-N 2 2 234.347 1.307 10 0 BDAELP C[NH+](C)CC[C@@]1(C)[NH2+]CCc2ccoc21 ZINC000715208652 537868997 /nfs/dbraw/zinc/86/89/97/537868997.db2.gz ONSGRQJHEMLKQW-GFCCVEGCSA-N 2 2 208.305 1.592 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000061588927 344978786 /nfs/dbraw/zinc/97/87/86/344978786.db2.gz NUXWUUUKNVCCEB-VXGBXAGGSA-N 2 2 228.405 1.956 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000061588927 344978788 /nfs/dbraw/zinc/97/87/88/344978788.db2.gz NUXWUUUKNVCCEB-VXGBXAGGSA-N 2 2 228.405 1.956 10 0 BDAELP CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248237257 345085917 /nfs/dbraw/zinc/08/59/17/345085917.db2.gz FIMFRDJROGUFBE-LSDHHAIUSA-N 2 2 248.370 1.479 10 0 BDAELP CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248237257 345085918 /nfs/dbraw/zinc/08/59/18/345085918.db2.gz FIMFRDJROGUFBE-LSDHHAIUSA-N 2 2 248.370 1.479 10 0 BDAELP Cc1cc(N)c[nH+]c1NC[C@@H](C)[NH+](C)C ZINC000052813437 187300496 /nfs/dbraw/zinc/30/04/96/187300496.db2.gz GYHIKDFRAPAIPU-SECBINFHSA-N 2 2 208.309 1.334 10 0 BDAELP Cc1cc(CC2=C[C@H]([NH3+])C[NH2+]C2)cs1 ZINC000675077956 537895297 /nfs/dbraw/zinc/89/52/97/537895297.db2.gz KTRFTBKPIMPREJ-NSHDSACASA-N 2 2 208.330 1.456 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000253612731 345692918 /nfs/dbraw/zinc/69/29/18/345692918.db2.gz IQQMOMUKMGXIKN-MNOVXSKESA-N 2 2 207.321 1.889 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000253612731 345692919 /nfs/dbraw/zinc/69/29/19/345692919.db2.gz IQQMOMUKMGXIKN-MNOVXSKESA-N 2 2 207.321 1.889 10 0 BDAELP Cc1c(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cnn1C ZINC000093651381 187361154 /nfs/dbraw/zinc/36/11/54/187361154.db2.gz GIENFDDOLXBUKV-GWCFXTLKSA-N 2 2 236.363 1.288 10 0 BDAELP Cc1c(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cnn1C ZINC000093651381 187361156 /nfs/dbraw/zinc/36/11/56/187361156.db2.gz GIENFDDOLXBUKV-GWCFXTLKSA-N 2 2 236.363 1.288 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378413 537965882 /nfs/dbraw/zinc/96/58/82/537965882.db2.gz DMZJLPXVXFRWJC-JHJVBQTASA-N 3 2 225.380 1.045 10 0 BDAELP C[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378413 537965887 /nfs/dbraw/zinc/96/58/87/537965887.db2.gz DMZJLPXVXFRWJC-JHJVBQTASA-N 3 2 225.380 1.045 10 0 BDAELP CC[N@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378613 537969093 /nfs/dbraw/zinc/96/90/93/537969093.db2.gz JFHFPWIHLQGPPO-OLZOCXBDSA-N 3 2 227.396 1.149 10 0 BDAELP CC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378613 537969098 /nfs/dbraw/zinc/96/90/98/537969098.db2.gz JFHFPWIHLQGPPO-OLZOCXBDSA-N 3 2 227.396 1.149 10 0 BDAELP CCC(F)(F)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798947 362747095 /nfs/dbraw/zinc/74/70/95/362747095.db2.gz RDTFOUKGDXPLBE-IVZWLZJFSA-N 2 2 218.291 1.701 10 0 BDAELP CCC(F)(F)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000641798947 362747099 /nfs/dbraw/zinc/74/70/99/362747099.db2.gz RDTFOUKGDXPLBE-IVZWLZJFSA-N 2 2 218.291 1.701 10 0 BDAELP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)on1 ZINC000641799347 362748935 /nfs/dbraw/zinc/74/89/35/362748935.db2.gz VEBAAAISLXBCDF-JTQLQIEISA-N 2 2 239.319 1.257 10 0 BDAELP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)on1 ZINC000641799347 362748940 /nfs/dbraw/zinc/74/89/40/362748940.db2.gz VEBAAAISLXBCDF-JTQLQIEISA-N 2 2 239.319 1.257 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CC[C@H](O)C2)c1 ZINC000061709789 179184590 /nfs/dbraw/zinc/18/45/90/179184590.db2.gz JDFNEKQZGBFYFL-QWHCGFSZSA-N 2 2 220.316 1.061 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CC[C@H](O)C2)c1 ZINC000061709789 179184592 /nfs/dbraw/zinc/18/45/92/179184592.db2.gz JDFNEKQZGBFYFL-QWHCGFSZSA-N 2 2 220.316 1.061 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H]1COCC[C@H]1[NH3+] ZINC000250253916 362796527 /nfs/dbraw/zinc/79/65/27/362796527.db2.gz XNLUAOBZKGUMSD-CHWSQXEVSA-N 2 2 220.316 1.235 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@@H]1COCC[C@H]1[NH3+] ZINC000250253916 362796538 /nfs/dbraw/zinc/79/65/38/362796538.db2.gz XNLUAOBZKGUMSD-CHWSQXEVSA-N 2 2 220.316 1.235 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[NH+]2CCC(CO)CC2)c1 ZINC000020178966 179199066 /nfs/dbraw/zinc/19/90/66/179199066.db2.gz XRYFYTSSDOAJAO-HNNXBMFYSA-N 2 2 248.370 1.699 10 0 BDAELP Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000192806489 347384533 /nfs/dbraw/zinc/38/45/33/347384533.db2.gz WCNIPKCROOZMNA-GFCCVEGCSA-N 2 2 232.331 1.378 10 0 BDAELP Cc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc(C)[nH+]1 ZINC000192806489 347384538 /nfs/dbraw/zinc/38/45/38/347384538.db2.gz WCNIPKCROOZMNA-GFCCVEGCSA-N 2 2 232.331 1.378 10 0 BDAELP C[N@H+](CC[C@@H]1CCC1=O)C1CC[NH+](C)CC1 ZINC000669381704 537994482 /nfs/dbraw/zinc/99/44/82/537994482.db2.gz SHYXIQHJKJWLAE-NSHDSACASA-N 2 2 224.348 1.382 10 0 BDAELP C[N@@H+](CC[C@@H]1CCC1=O)C1CC[NH+](C)CC1 ZINC000669381704 537994487 /nfs/dbraw/zinc/99/44/87/537994487.db2.gz SHYXIQHJKJWLAE-NSHDSACASA-N 2 2 224.348 1.382 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC000251550919 362886450 /nfs/dbraw/zinc/88/64/50/362886450.db2.gz BFLJVLHHOCAMRQ-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1CSCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC000251550919 362886453 /nfs/dbraw/zinc/88/64/53/362886453.db2.gz BFLJVLHHOCAMRQ-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP Cc1ccc[nH+]c1N[C@H]1CCC[N@@H+](C)C1 ZINC000051041046 179395897 /nfs/dbraw/zinc/39/58/97/179395897.db2.gz DXXBZRCNVPMTJW-NSHDSACASA-N 2 2 205.305 1.896 10 0 BDAELP Cc1ccc[nH+]c1N[C@H]1CCC[N@H+](C)C1 ZINC000051041046 179395900 /nfs/dbraw/zinc/39/59/00/179395900.db2.gz DXXBZRCNVPMTJW-NSHDSACASA-N 2 2 205.305 1.896 10 0 BDAELP Cc1csc(C[NH2+]C[C@H]2CC[NH2+]C2)n1 ZINC000062117094 179777542 /nfs/dbraw/zinc/77/75/42/179777542.db2.gz VNKUJZDYFMNKME-VIFPVBQESA-N 2 2 211.334 1.151 10 0 BDAELP Cc1nccc(C[NH2+]CC(C)(C)C[NH+](C)C)n1 ZINC000054789999 180190302 /nfs/dbraw/zinc/19/03/02/180190302.db2.gz CPVDECZPVBWVIS-UHFFFAOYSA-N 2 2 236.363 1.462 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000038037652 180190636 /nfs/dbraw/zinc/19/06/36/180190636.db2.gz JTQUCFAPQMRYOM-MISXGVKJSA-N 2 2 248.374 1.603 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000038037652 180190637 /nfs/dbraw/zinc/19/06/37/180190637.db2.gz JTQUCFAPQMRYOM-MISXGVKJSA-N 2 2 248.374 1.603 10 0 BDAELP Cc1[nH+]ccn1CC[NH+]1CCC(CC[NH3+])CC1 ZINC000042427831 180251953 /nfs/dbraw/zinc/25/19/53/180251953.db2.gz UZYQPOZEZGGACX-UHFFFAOYSA-N 3 2 236.363 1.252 10 0 BDAELP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567471 180261218 /nfs/dbraw/zinc/26/12/18/180261218.db2.gz OKCRTYILVNROCO-QWHCGFSZSA-N 3 2 234.347 1.018 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](C)O ZINC000194952113 180266559 /nfs/dbraw/zinc/26/65/59/180266559.db2.gz DUZIPQHNXQPPFF-PWSUYJOCSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](C)O ZINC000194952113 180266561 /nfs/dbraw/zinc/26/65/61/180266561.db2.gz DUZIPQHNXQPPFF-PWSUYJOCSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]cn(CCC[NH+]2CCCC2)c1C ZINC000120816663 180285515 /nfs/dbraw/zinc/28/55/15/180285515.db2.gz PDDVGPHXYTYAFV-UHFFFAOYSA-N 2 2 207.321 1.986 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000308115322 350530329 /nfs/dbraw/zinc/53/03/29/350530329.db2.gz WZXQPJWYQRGATC-OLKPEBQYSA-N 2 2 202.729 1.942 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000308115322 350530332 /nfs/dbraw/zinc/53/03/32/350530332.db2.gz WZXQPJWYQRGATC-OLKPEBQYSA-N 2 2 202.729 1.942 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C2CSC2)[C@@H](C)C1 ZINC000307319030 490658895 /nfs/dbraw/zinc/65/88/95/490658895.db2.gz MYBYQALXHASISD-WPRPVWTQSA-N 2 2 200.351 1.032 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C2CSC2)[C@@H](C)C1 ZINC000307319030 490658900 /nfs/dbraw/zinc/65/89/00/490658900.db2.gz MYBYQALXHASISD-WPRPVWTQSA-N 2 2 200.351 1.032 10 0 BDAELP Nc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616607788 350801969 /nfs/dbraw/zinc/80/19/69/350801969.db2.gz MNSJWGBGEARMPH-GFCCVEGCSA-N 2 2 205.305 1.364 10 0 BDAELP Nc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616607788 350801971 /nfs/dbraw/zinc/80/19/71/350801971.db2.gz MNSJWGBGEARMPH-GFCCVEGCSA-N 2 2 205.305 1.364 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000616616741 350855998 /nfs/dbraw/zinc/85/59/98/350855998.db2.gz WPNWUDKEFYYMGS-LBPRGKRZSA-N 2 2 205.305 1.567 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccncc1 ZINC000616616741 350856001 /nfs/dbraw/zinc/85/60/01/350856001.db2.gz WPNWUDKEFYYMGS-LBPRGKRZSA-N 2 2 205.305 1.567 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+]CC(C)(C)O ZINC000397634797 350955750 /nfs/dbraw/zinc/95/57/50/350955750.db2.gz IIBJTIUCUIBCPI-UHFFFAOYSA-N 2 2 208.305 1.293 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cncnc2)C1 ZINC000616628242 351097399 /nfs/dbraw/zinc/09/73/99/351097399.db2.gz IHJGAMIFGMFWHG-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cncnc2)C1 ZINC000616628242 351097401 /nfs/dbraw/zinc/09/74/01/351097401.db2.gz IHJGAMIFGMFWHG-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](CCC(F)(F)F)C1 ZINC000063101183 351139940 /nfs/dbraw/zinc/13/99/40/351139940.db2.gz WVIRRRXITZIGKG-QMMMGPOBSA-N 2 2 210.243 1.480 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](CCC(F)(F)F)C1 ZINC000063101183 351139942 /nfs/dbraw/zinc/13/99/42/351139942.db2.gz WVIRRRXITZIGKG-QMMMGPOBSA-N 2 2 210.243 1.480 10 0 BDAELP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616662267 351217516 /nfs/dbraw/zinc/21/75/16/351217516.db2.gz FTKCJNPLAALKOC-GFCCVEGCSA-N 2 2 206.289 1.194 10 0 BDAELP CC[C@@H]1CS[C@]2(CCC[NH2+][C@H]2C)[NH2+]1 ZINC000307201121 351602225 /nfs/dbraw/zinc/60/22/25/351602225.db2.gz ZMPJTPYBOBUCFU-AEJSXWLSSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C1CSC1 ZINC000307310885 351987180 /nfs/dbraw/zinc/98/71/80/351987180.db2.gz ZEZHPLJHHBFUHP-WCBMZHEXSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C1CSC1 ZINC000307310885 351987185 /nfs/dbraw/zinc/98/71/85/351987185.db2.gz ZEZHPLJHHBFUHP-WCBMZHEXSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1C[NH2+][C@](C)([C@@H]2CCCC[NH2+]2)S1 ZINC000306801555 353039112 /nfs/dbraw/zinc/03/91/12/353039112.db2.gz RFIFAQOAFVZLRO-UTLUCORTSA-N 2 2 200.351 1.570 10 0 BDAELP Fc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946335 181012655 /nfs/dbraw/zinc/01/26/55/181012655.db2.gz BMTRRMFWPYBJDM-UHFFFAOYSA-N 2 2 219.263 1.881 10 0 BDAELP Fc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946335 181012659 /nfs/dbraw/zinc/01/26/59/181012659.db2.gz BMTRRMFWPYBJDM-UHFFFAOYSA-N 2 2 219.263 1.881 10 0 BDAELP CC1(C)C[N@@H+]([C@H]2CC[NH2+]C2)CCS1 ZINC000160220255 353739262 /nfs/dbraw/zinc/73/92/62/353739262.db2.gz CRKQXCSTIVBHTD-VIFPVBQESA-N 2 2 200.351 1.176 10 0 BDAELP CC1(C)C[N@H+]([C@H]2CC[NH2+]C2)CCS1 ZINC000160220255 353739264 /nfs/dbraw/zinc/73/92/64/353739264.db2.gz CRKQXCSTIVBHTD-VIFPVBQESA-N 2 2 200.351 1.176 10 0 BDAELP CC[C@](C)(C[NH3+])[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000252448499 363255698 /nfs/dbraw/zinc/25/56/98/363255698.db2.gz XFRVCCYHDIGNSV-OUAUKWLOSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)(C[NH3+])[N@H+]1C[C@H](C)OC[C@H]1C ZINC000252448499 363255702 /nfs/dbraw/zinc/25/57/02/363255702.db2.gz XFRVCCYHDIGNSV-OUAUKWLOSA-N 2 2 200.326 1.223 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630078546 363279209 /nfs/dbraw/zinc/27/92/09/363279209.db2.gz UKPVXFWPXOJACA-ZJUUUORDSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ncccc2Cl)C[C@@H]1C[NH3+] ZINC000630078546 363279213 /nfs/dbraw/zinc/27/92/13/363279213.db2.gz UKPVXFWPXOJACA-ZJUUUORDSA-N 2 2 239.750 1.762 10 0 BDAELP CC(C)CCOCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232567107 363376515 /nfs/dbraw/zinc/37/65/15/363376515.db2.gz UQLOBSZIVYAOOG-NEPJUHHUSA-N 2 2 214.353 1.328 10 0 BDAELP CC(C)CCOCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232567107 363376522 /nfs/dbraw/zinc/37/65/22/363376522.db2.gz UQLOBSZIVYAOOG-NEPJUHHUSA-N 2 2 214.353 1.328 10 0 BDAELP Cc1cccc(CC2=C[C@H]([NH3+])C[NH2+]C2)c1 ZINC000675076599 538510974 /nfs/dbraw/zinc/51/09/74/538510974.db2.gz DTQYHWYWYJPGRK-ZDUSSCGKSA-N 2 2 202.301 1.394 10 0 BDAELP COc1nsc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1Cl ZINC000675078565 538515886 /nfs/dbraw/zinc/51/58/86/538515886.db2.gz QSSGGLYHGCSSMH-ZCFIWIBFSA-N 2 2 245.735 1.119 10 0 BDAELP Cc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)c(F)c1 ZINC000675078679 538516151 /nfs/dbraw/zinc/51/61/51/538516151.db2.gz RKCSMQUTXIUWRJ-JTQLQIEISA-N 2 2 206.264 1.448 10 0 BDAELP Cc1ccc(C)c(C2=C[C@H]([NH3+])C[NH2+]C2)c1 ZINC000675077409 538512639 /nfs/dbraw/zinc/51/26/39/538512639.db2.gz DSRWXJNBTMAJNG-LBPRGKRZSA-N 2 2 202.301 1.617 10 0 BDAELP CC[N@@H+]1CCO[C@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000226096569 356736362 /nfs/dbraw/zinc/73/63/62/356736362.db2.gz DEJFEZHQKTWWFF-VHSXEESVSA-N 2 2 200.326 1.081 10 0 BDAELP CC[N@H+]1CCO[C@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000226096569 356736365 /nfs/dbraw/zinc/73/63/65/356736365.db2.gz DEJFEZHQKTWWFF-VHSXEESVSA-N 2 2 200.326 1.081 10 0 BDAELP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCC[NH2+]2)CS1 ZINC000300055021 357180944 /nfs/dbraw/zinc/18/09/44/357180944.db2.gz GNZSMTUOYDKYAH-MXWKQRLJSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC[NH2+]2)CS1 ZINC000300055021 357180948 /nfs/dbraw/zinc/18/09/48/357180948.db2.gz GNZSMTUOYDKYAH-MXWKQRLJSA-N 2 2 214.378 1.564 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000397547177 357589915 /nfs/dbraw/zinc/58/99/15/357589915.db2.gz VMHAYDCMPRXXQX-CYBMUJFWSA-N 2 2 236.359 1.929 10 0 BDAELP CC1(C)CC[NH+]([C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685948242 538890255 /nfs/dbraw/zinc/89/02/55/538890255.db2.gz CPXXKMIHTSUWHM-MNOVXSKESA-N 2 2 214.328 1.808 10 0 BDAELP C[N@H+](C1CCCCC1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948373 538890393 /nfs/dbraw/zinc/89/03/93/538890393.db2.gz KZEKDVNQUXCRPN-NWDGAFQWSA-N 2 2 214.328 1.951 10 0 BDAELP C[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948373 538890394 /nfs/dbraw/zinc/89/03/94/538890394.db2.gz KZEKDVNQUXCRPN-NWDGAFQWSA-N 2 2 214.328 1.951 10 0 BDAELP CC[NH+](CC)CCC[NH+]1[C@H](C)COC[C@H]1C ZINC000191507249 357778158 /nfs/dbraw/zinc/77/81/58/357778158.db2.gz VDBQHIMWZSDLCC-CHWSQXEVSA-N 2 2 228.380 1.828 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191456590 357771253 /nfs/dbraw/zinc/77/12/53/357771253.db2.gz FPVAPGIFBNJKKX-GFCCVEGCSA-N 2 2 236.363 1.587 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000191456590 357771257 /nfs/dbraw/zinc/77/12/57/357771257.db2.gz FPVAPGIFBNJKKX-GFCCVEGCSA-N 2 2 236.363 1.587 10 0 BDAELP CC(C)(O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000045106985 358400208 /nfs/dbraw/zinc/40/02/08/358400208.db2.gz GIORZHKRUVJFSY-UHFFFAOYSA-N 2 2 211.309 1.024 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000308570108 491137080 /nfs/dbraw/zinc/13/70/80/491137080.db2.gz BTAWDDOGPBGJHA-ZJUUUORDSA-N 2 2 200.301 1.418 10 0 BDAELP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578348082 366530501 /nfs/dbraw/zinc/53/05/01/366530501.db2.gz GSWCFEMLRNJRLZ-QWHCGFSZSA-N 3 2 239.407 1.448 10 0 BDAELP CC(C)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717988 359032739 /nfs/dbraw/zinc/03/27/39/359032739.db2.gz YRDKVFBELVAKGR-JTQLQIEISA-N 2 2 224.352 1.620 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000300401313 358989869 /nfs/dbraw/zinc/98/98/69/358989869.db2.gz SYTNTTMSPHNGSO-OCSORSNKSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C\Cl)C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000300401313 358989871 /nfs/dbraw/zinc/98/98/71/358989871.db2.gz SYTNTTMSPHNGSO-OCSORSNKSA-N 2 2 202.729 1.798 10 0 BDAELP CC(C)([NH3+])C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000306304712 359587653 /nfs/dbraw/zinc/58/76/53/359587653.db2.gz BVQQWNPARVIFOC-SSDOTTSWSA-N 2 2 210.243 1.608 10 0 BDAELP CC(C)([NH3+])C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000306304712 359587655 /nfs/dbraw/zinc/58/76/55/359587655.db2.gz BVQQWNPARVIFOC-SSDOTTSWSA-N 2 2 210.243 1.608 10 0 BDAELP CC(C)(C[NH3+])[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000306436594 359944443 /nfs/dbraw/zinc/94/44/43/359944443.db2.gz LQOHAMSPSRUFNN-SSDOTTSWSA-N 2 2 210.243 1.608 10 0 BDAELP CC(C)(C[NH3+])[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000306436594 359944447 /nfs/dbraw/zinc/94/44/47/359944447.db2.gz LQOHAMSPSRUFNN-SSDOTTSWSA-N 2 2 210.243 1.608 10 0 BDAELP COC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1 ZINC000306545903 360414540 /nfs/dbraw/zinc/41/45/40/360414540.db2.gz WIJYMVHEMHUECR-GFCCVEGCSA-N 2 2 222.332 1.529 10 0 BDAELP CC[C@@H]1CS[C@@](C)([C@H]2CCC[NH2+]2)[NH2+]1 ZINC000306580290 360470835 /nfs/dbraw/zinc/47/08/35/360470835.db2.gz OHPYRPYSVNIQET-BBBLOLIVSA-N 2 2 200.351 1.570 10 0 BDAELP COC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000151847904 201184870 /nfs/dbraw/zinc/18/48/70/201184870.db2.gz XMVJPTFBBLXTJR-WOPDTQHZSA-N 2 2 214.353 1.340 10 0 BDAELP COC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000151847904 201184873 /nfs/dbraw/zinc/18/48/73/201184873.db2.gz XMVJPTFBBLXTJR-WOPDTQHZSA-N 2 2 214.353 1.340 10 0 BDAELP C[C@]1(C[NH2+]Cc2ccccc2)CCC[NH2+]1 ZINC000070619689 361642535 /nfs/dbraw/zinc/64/25/35/361642535.db2.gz OCMYBRZNJJHWKF-CYBMUJFWSA-N 2 2 204.317 1.918 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630359661 364079059 /nfs/dbraw/zinc/07/90/59/364079059.db2.gz DHYBNUQUHXBHBD-OLZOCXBDSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630359661 364079067 /nfs/dbraw/zinc/07/90/67/364079067.db2.gz DHYBNUQUHXBHBD-OLZOCXBDSA-N 2 2 235.331 1.020 10 0 BDAELP C[C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2C)C[NH2+]1 ZINC000630533045 364223146 /nfs/dbraw/zinc/22/31/46/364223146.db2.gz NBPUYLFJHLTTFP-QWRGUYRKSA-N 2 2 244.342 1.548 10 0 BDAELP C[C@@H]1CC[C@@H](Nc2[nH+]c3ccccc3n2C)C[NH2+]1 ZINC000630533043 364223468 /nfs/dbraw/zinc/22/34/68/364223468.db2.gz NBPUYLFJHLTTFP-GHMZBOCLSA-N 2 2 244.342 1.548 10 0 BDAELP [NH3+]CC[NH2+]Cc1ccc(Br)o1 ZINC000037712319 181396581 /nfs/dbraw/zinc/39/65/81/181396581.db2.gz JPUNWHDWIXKEJP-UHFFFAOYSA-N 2 2 219.082 1.090 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000380758787 367298993 /nfs/dbraw/zinc/29/89/93/367298993.db2.gz VRFWMHBJEQRHDB-OLZOCXBDSA-N 3 2 227.396 1.447 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000380758787 367298998 /nfs/dbraw/zinc/29/89/98/367298998.db2.gz VRFWMHBJEQRHDB-OLZOCXBDSA-N 3 2 227.396 1.447 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CS[C@@H](C)C2)C1 ZINC000252692058 367598112 /nfs/dbraw/zinc/59/81/12/367598112.db2.gz ZWHJYKRSSUPPRO-IVZWLZJFSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CS[C@@H](C)C2)C1 ZINC000252692058 367598118 /nfs/dbraw/zinc/59/81/18/367598118.db2.gz ZWHJYKRSSUPPRO-IVZWLZJFSA-N 2 2 200.351 1.174 10 0 BDAELP CC(C)n1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386273926 367943629 /nfs/dbraw/zinc/94/36/29/367943629.db2.gz XVYGIYSMFXSZSS-SRVKXCTJSA-N 2 2 249.362 1.028 10 0 BDAELP CC(C)n1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000386273926 367943632 /nfs/dbraw/zinc/94/36/32/367943632.db2.gz XVYGIYSMFXSZSS-SRVKXCTJSA-N 2 2 249.362 1.028 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252842155 368163352 /nfs/dbraw/zinc/16/33/52/368163352.db2.gz CLZVKODOCHQGRS-SDDRHHMPSA-N 2 2 247.342 1.654 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1nccs1 ZINC000161679573 370960663 /nfs/dbraw/zinc/96/06/63/370960663.db2.gz XYBSUGHLHWQOEO-RKDXNWHRSA-N 2 2 211.334 1.485 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1nccs1 ZINC000161679573 370960669 /nfs/dbraw/zinc/96/06/69/370960669.db2.gz XYBSUGHLHWQOEO-RKDXNWHRSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@@H]1C[N@H+]([C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000226670186 371719761 /nfs/dbraw/zinc/71/97/61/371719761.db2.gz PAAGCDLZAIHLQW-AEJSXWLSSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1C[N@@H+]([C@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000226670186 371719765 /nfs/dbraw/zinc/71/97/65/371719765.db2.gz PAAGCDLZAIHLQW-AEJSXWLSSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000132441046 371822223 /nfs/dbraw/zinc/82/22/23/371822223.db2.gz RUHKFWIASUNFBN-CSMHCCOUSA-N 2 2 201.339 1.137 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000132441046 371822226 /nfs/dbraw/zinc/82/22/26/371822226.db2.gz RUHKFWIASUNFBN-CSMHCCOUSA-N 2 2 201.339 1.137 10 0 BDAELP CC(C)[C@@](C)(C[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000217703709 371999538 /nfs/dbraw/zinc/99/95/38/371999538.db2.gz UJUAHMFWZKGHCK-WDEREUQCSA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@@](C)(C[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000217703709 371999542 /nfs/dbraw/zinc/99/95/42/371999542.db2.gz UJUAHMFWZKGHCK-WDEREUQCSA-N 2 2 200.326 1.081 10 0 BDAELP C[NH2+]C[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000133417437 372044451 /nfs/dbraw/zinc/04/44/51/372044451.db2.gz HYKDGXJOBPDLDJ-VIFPVBQESA-N 2 2 202.367 1.422 10 0 BDAELP C[NH2+]C[C@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000133417437 372044456 /nfs/dbraw/zinc/04/44/56/372044456.db2.gz HYKDGXJOBPDLDJ-VIFPVBQESA-N 2 2 202.367 1.422 10 0 BDAELP C[C@H]1C[N@H+](Cc2nccs2)C[C@@H]1C[NH3+] ZINC000631838517 372631426 /nfs/dbraw/zinc/63/14/26/372631426.db2.gz PTHIOVDHWJHJEV-IUCAKERBSA-N 2 2 211.334 1.170 10 0 BDAELP C[C@H]1C[N@@H+](Cc2nccs2)C[C@@H]1C[NH3+] ZINC000631838517 372631430 /nfs/dbraw/zinc/63/14/30/372631430.db2.gz PTHIOVDHWJHJEV-IUCAKERBSA-N 2 2 211.334 1.170 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@H]([NH3+])C[C@H]1C ZINC000631860779 372659665 /nfs/dbraw/zinc/65/96/65/372659665.db2.gz OYMAQGCXUPCANP-GHMZBOCLSA-N 2 2 222.336 1.386 10 0 BDAELP CCOCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178296254 134306154 /nfs/dbraw/zinc/30/61/54/134306154.db2.gz OGUHBTZYROCFQD-ZDUSSCGKSA-N 2 2 237.347 1.692 10 0 BDAELP CCOCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178296254 134306155 /nfs/dbraw/zinc/30/61/55/134306155.db2.gz OGUHBTZYROCFQD-ZDUSSCGKSA-N 2 2 237.347 1.692 10 0 BDAELP CCCC[C@H]([NH3+])C[N@H+](CCOC)[C@@H](C)COC ZINC000042610916 169008541 /nfs/dbraw/zinc/00/85/41/169008541.db2.gz WUMWNDKGAQLYTH-STQMWFEESA-N 2 2 246.395 1.487 10 0 BDAELP CCCC[C@H]([NH3+])C[N@@H+](CCOC)[C@@H](C)COC ZINC000042610916 169008543 /nfs/dbraw/zinc/00/85/43/169008543.db2.gz WUMWNDKGAQLYTH-STQMWFEESA-N 2 2 246.395 1.487 10 0 BDAELP c1c[nH+]c(CN2CCC[C@@H]([NH+]3CCCCC3)C2)[nH]1 ZINC000111232421 183326035 /nfs/dbraw/zinc/32/60/35/183326035.db2.gz DNLNLLVCDKFTHX-CYBMUJFWSA-N 2 2 248.374 1.860 10 0 BDAELP c1cc(OCC[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000051918760 183358102 /nfs/dbraw/zinc/35/81/02/183358102.db2.gz FUYYRKBMQDVFPC-LLVKDONJSA-N 2 2 206.289 1.850 10 0 BDAELP CCC[NH2+][C@H](CC)CN1CCn2cc[nH+]c2C1 ZINC000062250691 169288294 /nfs/dbraw/zinc/28/82/94/169288294.db2.gz TVJORARCFOOSKV-GFCCVEGCSA-N 2 2 236.363 1.477 10 0 BDAELP CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000026443084 169281968 /nfs/dbraw/zinc/28/19/68/169281968.db2.gz ZJSVJZPVBJHEBN-ZIAGYGMSSA-N 2 2 240.391 1.877 10 0 BDAELP CCCO[C@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000042422762 169312901 /nfs/dbraw/zinc/31/29/01/169312901.db2.gz QFOOTLCSSJNUGT-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP CCCO[C@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000042422762 169312903 /nfs/dbraw/zinc/31/29/03/169312903.db2.gz QFOOTLCSSJNUGT-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000026443093 169290903 /nfs/dbraw/zinc/29/09/03/169290903.db2.gz ZJSVJZPVBJHEBN-KBPBESRZSA-N 2 2 240.391 1.877 10 0 BDAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567068 535457730 /nfs/dbraw/zinc/45/77/30/535457730.db2.gz ZMRFKQWEODNRRR-GHMZBOCLSA-N 2 2 242.363 1.387 10 0 BDAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567068 535457732 /nfs/dbraw/zinc/45/77/32/535457732.db2.gz ZMRFKQWEODNRRR-GHMZBOCLSA-N 2 2 242.363 1.387 10 0 BDAELP CC(C)CCOCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049739 384284330 /nfs/dbraw/zinc/28/43/30/384284330.db2.gz UQLOBSZIVYAOOG-NWDGAFQWSA-N 2 2 214.353 1.328 10 0 BDAELP CC(C)CCOCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049739 384284338 /nfs/dbraw/zinc/28/43/38/384284338.db2.gz UQLOBSZIVYAOOG-NWDGAFQWSA-N 2 2 214.353 1.328 10 0 BDAELP CN(C[C@H]1CC[NH2+]C1)c1[nH]c2ccccc2[nH+]1 ZINC000095071261 384338288 /nfs/dbraw/zinc/33/82/88/384338288.db2.gz KCSHZAQZRTZCKM-JTQLQIEISA-N 2 2 230.315 1.609 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCSC1)C2 ZINC000308829965 384329442 /nfs/dbraw/zinc/32/94/42/384329442.db2.gz ADJQVXZANAYDDZ-IUCAKERBSA-N 2 2 223.345 1.362 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCSC1)CC2 ZINC000308829965 384329446 /nfs/dbraw/zinc/32/94/46/384329446.db2.gz ADJQVXZANAYDDZ-IUCAKERBSA-N 2 2 223.345 1.362 10 0 BDAELP CCc1cccc2c([C@H]([NH3+])C[NH3+])c[nH]c21 ZINC000044474068 384331849 /nfs/dbraw/zinc/33/18/49/384331849.db2.gz RXBXSRFUIOJYKQ-LLVKDONJSA-N 2 2 203.289 1.689 10 0 BDAELP Cc1n[nH]cc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000120915969 384388670 /nfs/dbraw/zinc/38/86/70/384388670.db2.gz AQKQTWNJCPUUDZ-NSHDSACASA-N 2 2 222.336 1.102 10 0 BDAELP Cc1n[nH]cc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000120915969 384388674 /nfs/dbraw/zinc/38/86/74/384388674.db2.gz AQKQTWNJCPUUDZ-NSHDSACASA-N 2 2 222.336 1.102 10 0 BDAELP Cc1n[nH]cc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000120915969 384388681 /nfs/dbraw/zinc/38/86/81/384388681.db2.gz AQKQTWNJCPUUDZ-NSHDSACASA-N 2 2 222.336 1.102 10 0 BDAELP Cc1n[nH]cc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000120915969 384388687 /nfs/dbraw/zinc/38/86/87/384388687.db2.gz AQKQTWNJCPUUDZ-NSHDSACASA-N 2 2 222.336 1.102 10 0 BDAELP C[C@H](c1nccn1C)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393430003 384648465 /nfs/dbraw/zinc/64/84/65/384648465.db2.gz OMZFBRXDLGNTFN-NQBHXWOUSA-N 2 2 236.363 1.398 10 0 BDAELP C[C@H](c1nccn1C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000393430003 384648470 /nfs/dbraw/zinc/64/84/70/384648470.db2.gz OMZFBRXDLGNTFN-NQBHXWOUSA-N 2 2 236.363 1.398 10 0 BDAELP Cn1cc([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cn1 ZINC000163043928 384725833 /nfs/dbraw/zinc/72/58/33/384725833.db2.gz DYGJFTRQLKDTAA-LBPRGKRZSA-N 2 2 245.330 1.106 10 0 BDAELP COC[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779354 384722074 /nfs/dbraw/zinc/72/20/74/384722074.db2.gz NTYGPMWYHUHKJH-QWHCGFSZSA-N 2 2 249.358 1.850 10 0 BDAELP COC[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779354 384722083 /nfs/dbraw/zinc/72/20/83/384722083.db2.gz NTYGPMWYHUHKJH-QWHCGFSZSA-N 2 2 249.358 1.850 10 0 BDAELP C[C@H]1C[C@@H]([NH3+])Cn2c(Br)c[nH+]c21 ZINC000156231468 384833738 /nfs/dbraw/zinc/83/37/38/384833738.db2.gz YYTZYVHNURYVOH-NTSWFWBYSA-N 2 2 230.109 1.480 10 0 BDAELP CC(=O)CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154561122 385337106 /nfs/dbraw/zinc/33/71/06/385337106.db2.gz YPOWRYHWGJMKHP-ZDUSSCGKSA-N 2 2 235.331 1.635 10 0 BDAELP CC(=O)CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154561122 385337111 /nfs/dbraw/zinc/33/71/11/385337111.db2.gz YPOWRYHWGJMKHP-ZDUSSCGKSA-N 2 2 235.331 1.635 10 0 BDAELP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309134068 385428113 /nfs/dbraw/zinc/42/81/13/385428113.db2.gz RQYUVELDEMKLJB-KXUCPTDWSA-N 2 2 205.305 1.513 10 0 BDAELP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309134068 385428119 /nfs/dbraw/zinc/42/81/19/385428119.db2.gz RQYUVELDEMKLJB-KXUCPTDWSA-N 2 2 205.305 1.513 10 0 BDAELP CCCc1[nH+]c2ccccc2n1CCOCC[NH3+] ZINC000057798983 385651513 /nfs/dbraw/zinc/65/15/13/385651513.db2.gz MRMCWSXTQDNWGI-UHFFFAOYSA-N 2 2 247.342 1.964 10 0 BDAELP CCc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)nc(C)[nH+]1 ZINC000272811165 385938548 /nfs/dbraw/zinc/93/85/48/385938548.db2.gz CKWHEHOIPOYYEE-GWCFXTLKSA-N 2 2 248.374 1.734 10 0 BDAELP C[C@@H]1C[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336768636 385951406 /nfs/dbraw/zinc/95/14/06/385951406.db2.gz UTUXAJCUFSQCQE-PSASIEDQSA-N 2 2 225.361 1.703 10 0 BDAELP C[C@H]1[NH2+]CCC[C@]12[NH2+]C(C)(C)CS2 ZINC000307506210 386698713 /nfs/dbraw/zinc/69/87/13/386698713.db2.gz QLYVNHWPYVNYGW-PSASIEDQSA-N 2 2 200.351 1.570 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000246348115 387076788 /nfs/dbraw/zinc/07/67/88/387076788.db2.gz HPQQGLOZXNUSJJ-QWHCGFSZSA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000246348115 387076794 /nfs/dbraw/zinc/07/67/94/387076794.db2.gz HPQQGLOZXNUSJJ-QWHCGFSZSA-N 2 2 228.380 1.731 10 0 BDAELP Cc1cnc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)o1 ZINC000336309221 387137803 /nfs/dbraw/zinc/13/78/03/387137803.db2.gz GRKIQWXQZKIXEC-LLVKDONJSA-N 2 2 223.320 1.557 10 0 BDAELP Cc1cnc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)o1 ZINC000336309221 387137808 /nfs/dbraw/zinc/13/78/08/387137808.db2.gz GRKIQWXQZKIXEC-LLVKDONJSA-N 2 2 223.320 1.557 10 0 BDAELP CC1C[NH+]([C@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000575494422 387278138 /nfs/dbraw/zinc/27/81/38/387278138.db2.gz RLYJZYNNDZYXLC-NXEZZACHSA-N 2 2 200.351 1.161 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccccc1OC(F)F ZINC000035677014 387438063 /nfs/dbraw/zinc/43/80/63/387438063.db2.gz GCVAABMEBLQOKV-ZETCQYMHSA-N 2 2 202.204 1.247 10 0 BDAELP Cc1cnc(C[NH2+][C@H]2CCC[NH2+]CC2)s1 ZINC000235927400 388376109 /nfs/dbraw/zinc/37/61/09/388376109.db2.gz KSZLKGAXYIXMEP-JTQLQIEISA-N 2 2 225.361 1.683 10 0 BDAELP C[N@H+](CC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000327506688 388376191 /nfs/dbraw/zinc/37/61/91/388376191.db2.gz PZMOFTKGDYQMEZ-VIFPVBQESA-N 2 2 206.280 1.702 10 0 BDAELP C[N@@H+](CC[NH3+])C[C@@H]1CCCCC1(F)F ZINC000327506688 388376193 /nfs/dbraw/zinc/37/61/93/388376193.db2.gz PZMOFTKGDYQMEZ-VIFPVBQESA-N 2 2 206.280 1.702 10 0 BDAELP CC(C)CSCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000397487985 388473857 /nfs/dbraw/zinc/47/38/57/388473857.db2.gz WZWHPARIZWBPKJ-SNVBAGLBSA-N 2 2 202.367 1.327 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000328371074 388413063 /nfs/dbraw/zinc/41/30/63/388413063.db2.gz SDRSFUAJRAXDRK-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000328371074 388413065 /nfs/dbraw/zinc/41/30/65/388413065.db2.gz SDRSFUAJRAXDRK-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000397874633 388508007 /nfs/dbraw/zinc/50/80/07/388508007.db2.gz LFUGYGLNFWVNHE-UTUOFQBUSA-N 2 2 238.375 1.484 10 0 BDAELP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000397874621 388508289 /nfs/dbraw/zinc/50/82/89/388508289.db2.gz LFUGYGLNFWVNHE-QJPTWQEYSA-N 2 2 238.375 1.484 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000247074369 388658733 /nfs/dbraw/zinc/65/87/33/388658733.db2.gz OLWBVTNXHCLUPO-RDBSUJKOSA-N 2 2 239.407 1.543 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247074369 388658735 /nfs/dbraw/zinc/65/87/35/388658735.db2.gz OLWBVTNXHCLUPO-RDBSUJKOSA-N 2 2 239.407 1.543 10 0 BDAELP C/C(=C/Cl)C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC000575484533 388868537 /nfs/dbraw/zinc/86/85/37/388868537.db2.gz YQUTWMCKWNAYNY-FGRQDEOASA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC000575484533 388868539 /nfs/dbraw/zinc/86/85/39/388868539.db2.gz YQUTWMCKWNAYNY-FGRQDEOASA-N 2 2 202.729 1.941 10 0 BDAELP CCc1nc(N2CCC([NH3+])CC2)c(C)c(C)[nH+]1 ZINC000045951019 132299316 /nfs/dbraw/zinc/29/93/16/132299316.db2.gz DMPAYTXMFXPCRA-UHFFFAOYSA-N 2 2 234.347 1.583 10 0 BDAELP CC[C@H]1COCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051397050 132360415 /nfs/dbraw/zinc/36/04/15/132360415.db2.gz JOMXBZQZAWSEGP-NSHDSACASA-N 2 2 221.304 1.156 10 0 BDAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400347423 533360150 /nfs/dbraw/zinc/36/01/50/533360150.db2.gz LAAGATNRUQTRIT-CHWSQXEVSA-N 3 2 239.407 1.448 10 0 BDAELP CCc1nc(N2CC[NH2+]CC2)c(C)c(CC)[nH+]1 ZINC000045950798 132299196 /nfs/dbraw/zinc/29/91/96/132299196.db2.gz OOTJMSPMVAIGSH-UHFFFAOYSA-N 2 2 234.347 1.319 10 0 BDAELP CC[C@H]([NH3+])C[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000036871981 132342739 /nfs/dbraw/zinc/34/27/39/132342739.db2.gz RHIHJKWJMDRKOM-AWEZNQCLSA-N 2 2 247.386 1.854 10 0 BDAELP C[C@H]1CN(c2ccc([NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000049711467 132357784 /nfs/dbraw/zinc/35/77/84/132357784.db2.gz SLRBXXNMTHTMFF-FZMZJTMJSA-N 2 2 233.359 1.926 10 0 BDAELP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000252661746 135093899 /nfs/dbraw/zinc/09/38/99/135093899.db2.gz OWLIHMIADJREQK-OLZOCXBDSA-N 2 2 248.374 1.479 10 0 BDAELP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000252661746 135093900 /nfs/dbraw/zinc/09/39/00/135093900.db2.gz OWLIHMIADJREQK-OLZOCXBDSA-N 2 2 248.374 1.479 10 0 BDAELP CCCC[NH+]1CCC([NH2+]C2COC2)CC1 ZINC000087597193 135159725 /nfs/dbraw/zinc/15/97/25/135159725.db2.gz UEABDFDPQHSEJS-UHFFFAOYSA-N 2 2 212.337 1.239 10 0 BDAELP CC(C)COCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534356 135166555 /nfs/dbraw/zinc/16/65/55/135166555.db2.gz QBMADDWLZPWIDQ-STQMWFEESA-N 2 2 228.380 1.718 10 0 BDAELP CC(C)COCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261534356 135166557 /nfs/dbraw/zinc/16/65/57/135166557.db2.gz QBMADDWLZPWIDQ-STQMWFEESA-N 2 2 228.380 1.718 10 0 BDAELP CC(C)C[N@H+](Cc1noc(C[NH3+])n1)C(C)C ZINC000261534309 135166961 /nfs/dbraw/zinc/16/69/61/135166961.db2.gz PTIOFUUAUSMQJF-UHFFFAOYSA-N 2 2 226.324 1.395 10 0 BDAELP CC(C)C[N@@H+](Cc1noc(C[NH3+])n1)C(C)C ZINC000261534309 135166962 /nfs/dbraw/zinc/16/69/62/135166962.db2.gz PTIOFUUAUSMQJF-UHFFFAOYSA-N 2 2 226.324 1.395 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000261543264 135184140 /nfs/dbraw/zinc/18/41/40/135184140.db2.gz SHEOKYHDYYLYJN-ZYHUDNBSSA-N 2 2 237.322 1.637 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000261543264 135184141 /nfs/dbraw/zinc/18/41/41/135184141.db2.gz SHEOKYHDYYLYJN-ZYHUDNBSSA-N 2 2 237.322 1.637 10 0 BDAELP Cc1ccn2c(CN3C[C@H]([NH3+])[C@@H](C)C3)c[nH+]c2c1 ZINC000261950967 135266221 /nfs/dbraw/zinc/26/62/21/135266221.db2.gz FZXPIXNHCALGMC-AAEUAGOBSA-N 2 2 244.342 1.422 10 0 BDAELP [NH3+]CC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000262944996 135325120 /nfs/dbraw/zinc/32/51/20/135325120.db2.gz JDFRBSNLKNVNTB-ZDUSSCGKSA-N 2 2 238.306 1.282 10 0 BDAELP [NH3+]CC[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000262944996 135325121 /nfs/dbraw/zinc/32/51/21/135325121.db2.gz JDFRBSNLKNVNTB-ZDUSSCGKSA-N 2 2 238.306 1.282 10 0 BDAELP CCC[C@@H]1C[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000300578306 397995239 /nfs/dbraw/zinc/99/52/39/397995239.db2.gz FUSAFUDOXGIZRS-PWSUYJOCSA-N 2 2 236.363 1.764 10 0 BDAELP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1CCOCC1(C)C ZINC000052546068 167006543 /nfs/dbraw/zinc/00/65/43/167006543.db2.gz LVEOZAJNGDXMAF-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]C[C@H](C)C[N@H+]1CCOCC1(C)C ZINC000052546068 167006544 /nfs/dbraw/zinc/00/65/44/167006544.db2.gz LVEOZAJNGDXMAF-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)[NH2+]C[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000062325192 167112711 /nfs/dbraw/zinc/11/27/11/167112711.db2.gz WMNWBSCQBTYWKG-NSHDSACASA-N 2 2 222.336 1.085 10 0 BDAELP CC(C)[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000026443111 167135456 /nfs/dbraw/zinc/13/54/56/167135456.db2.gz STGFCDLAXCCJKK-UONOGXRCSA-N 2 2 240.391 1.875 10 0 BDAELP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000394511252 410805297 /nfs/dbraw/zinc/80/52/97/410805297.db2.gz ZCLFSFWYGZBVQM-WDEREUQCSA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000394511252 410805306 /nfs/dbraw/zinc/80/53/06/410805306.db2.gz ZCLFSFWYGZBVQM-WDEREUQCSA-N 2 2 248.317 1.471 10 0 BDAELP CC(C)C[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000040408642 167007987 /nfs/dbraw/zinc/00/79/87/167007987.db2.gz YBLNWACMDYYWAR-CQSZACIVSA-N 2 2 218.344 1.947 10 0 BDAELP CC(C)[NH2+][C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270875 167139420 /nfs/dbraw/zinc/13/94/20/167139420.db2.gz FSOZPWYLMGZANX-CQSZACIVSA-N 2 2 244.342 1.870 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658033984 411209470 /nfs/dbraw/zinc/20/94/70/411209470.db2.gz FMJQUHCPUTZBFS-NWDGAFQWSA-N 2 2 224.348 1.382 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658033984 411209473 /nfs/dbraw/zinc/20/94/73/411209473.db2.gz FMJQUHCPUTZBFS-NWDGAFQWSA-N 2 2 224.348 1.382 10 0 BDAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000310435237 411237607 /nfs/dbraw/zinc/23/76/07/411237607.db2.gz UISNPUOSNQYVNZ-NWDGAFQWSA-N 2 2 240.347 1.551 10 0 BDAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000310435237 411237612 /nfs/dbraw/zinc/23/76/12/411237612.db2.gz UISNPUOSNQYVNZ-NWDGAFQWSA-N 2 2 240.347 1.551 10 0 BDAELP Nc1ccc([C@H]2CCC[N@H+](CC[NH3+])CC2)c[nH+]1 ZINC000616628647 411287303 /nfs/dbraw/zinc/28/73/03/411287303.db2.gz OWIUZHDGCWRRRJ-NSHDSACASA-N 3 2 234.347 1.192 10 0 BDAELP Nc1ccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)c[nH+]1 ZINC000616628647 411287306 /nfs/dbraw/zinc/28/73/06/411287306.db2.gz OWIUZHDGCWRRRJ-NSHDSACASA-N 3 2 234.347 1.192 10 0 BDAELP Nc1ccc([C@H]2CCCN(CC[NH3+])CC2)c[nH+]1 ZINC000616628647 411287309 /nfs/dbraw/zinc/28/73/09/411287309.db2.gz OWIUZHDGCWRRRJ-NSHDSACASA-N 2 2 234.347 1.192 10 0 BDAELP Cc1cc(N2CCC[C@@H](C)[C@@H]2C[NH3+])nc[nH+]1 ZINC000069727403 411359285 /nfs/dbraw/zinc/35/92/85/411359285.db2.gz LAMYQRZMKNZQQZ-KOLCDFICSA-N 2 2 220.320 1.349 10 0 BDAELP CC(C)(C)[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657358956 411475620 /nfs/dbraw/zinc/47/56/20/411475620.db2.gz IKVDVHFUDCRKQL-LLVKDONJSA-N 2 2 237.347 1.326 10 0 BDAELP O[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657378226 411486784 /nfs/dbraw/zinc/48/67/84/411486784.db2.gz IUZWYMSLORHAAA-ZYHUDNBSSA-N 2 2 235.331 1.080 10 0 BDAELP COc1ccc[nH+]c1N1CCC([C@@H](C)[NH3+])CC1 ZINC000127511787 411492026 /nfs/dbraw/zinc/49/20/26/411492026.db2.gz GYDAXHGRDXZZBY-SNVBAGLBSA-N 2 2 235.331 1.654 10 0 BDAELP CC[N@@H+]1CC[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000049327985 170007666 /nfs/dbraw/zinc/00/76/66/170007666.db2.gz OUQUVEQPWYXYHK-ZDUSSCGKSA-N 3 2 236.363 1.205 10 0 BDAELP CC[N@H+]1CC[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000049327985 170007668 /nfs/dbraw/zinc/00/76/68/170007668.db2.gz OUQUVEQPWYXYHK-ZDUSSCGKSA-N 3 2 236.363 1.205 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]CC[C@H]2CCOC2)[C@@H](C)C1 ZINC000309648561 170035474 /nfs/dbraw/zinc/03/54/74/170035474.db2.gz NFBHLOYJEYNESC-AVGNSLFASA-N 2 2 226.364 1.343 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)Cn2cc[nH+]c2)C1 ZINC000053031994 170119995 /nfs/dbraw/zinc/11/99/95/170119995.db2.gz NOMPMXMQCJAMGM-STQMWFEESA-N 3 2 236.363 1.203 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)Cn2cc[nH+]c2)C1 ZINC000053031994 170119996 /nfs/dbraw/zinc/11/99/96/170119996.db2.gz NOMPMXMQCJAMGM-STQMWFEESA-N 3 2 236.363 1.203 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C[C@@H]1C ZINC000049710860 170152129 /nfs/dbraw/zinc/15/21/29/170152129.db2.gz DLKZEZVRCBSNFZ-GXTWGEPZSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C[C@@H]1C ZINC000049710860 170152131 /nfs/dbraw/zinc/15/21/31/170152131.db2.gz DLKZEZVRCBSNFZ-GXTWGEPZSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1N(C)Cc1[nH+]ccn1C ZINC000062251432 170152345 /nfs/dbraw/zinc/15/23/45/170152345.db2.gz CLIRIJAGJNZMTJ-VXGBXAGGSA-N 2 2 236.363 1.383 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C[C@@H]1C ZINC000049710863 170166383 /nfs/dbraw/zinc/16/63/83/170166383.db2.gz DLKZEZVRCBSNFZ-JSGCOSHPSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](C2CC[NH+](C)CC2)C[C@@H]1C ZINC000049710863 170166384 /nfs/dbraw/zinc/16/63/84/170166384.db2.gz DLKZEZVRCBSNFZ-JSGCOSHPSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000037241601 170167618 /nfs/dbraw/zinc/16/76/18/170167618.db2.gz PVFYOCZXDPHGMR-AWEZNQCLSA-N 2 2 218.344 1.913 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000037241601 170167620 /nfs/dbraw/zinc/16/76/20/170167620.db2.gz PVFYOCZXDPHGMR-AWEZNQCLSA-N 2 2 218.344 1.913 10 0 BDAELP CC[NH2+][C@]1(C[NH3+])CCCc2ccccc21 ZINC000050270257 170170702 /nfs/dbraw/zinc/17/07/02/170170702.db2.gz WRMVJVZHKJGZAM-ZDUSSCGKSA-N 2 2 204.317 1.786 10 0 BDAELP CCOC(=O)[C@@H](C)[N@H+](CC)C1CC[NH2+]CC1 ZINC000043642132 170247187 /nfs/dbraw/zinc/24/71/87/170247187.db2.gz QBTCPGAWMLLNRJ-SNVBAGLBSA-N 2 2 228.336 1.012 10 0 BDAELP CCOC(=O)[C@@H](C)[N@@H+](CC)C1CC[NH2+]CC1 ZINC000043642132 170247188 /nfs/dbraw/zinc/24/71/88/170247188.db2.gz QBTCPGAWMLLNRJ-SNVBAGLBSA-N 2 2 228.336 1.012 10 0 BDAELP CCOC(=O)[C@H](C)[N@H+](CC)C1CC[NH2+]CC1 ZINC000043642131 170266668 /nfs/dbraw/zinc/26/66/68/170266668.db2.gz QBTCPGAWMLLNRJ-JTQLQIEISA-N 2 2 228.336 1.012 10 0 BDAELP CCOC(=O)[C@H](C)[N@@H+](CC)C1CC[NH2+]CC1 ZINC000043642131 170266669 /nfs/dbraw/zinc/26/66/69/170266669.db2.gz QBTCPGAWMLLNRJ-JTQLQIEISA-N 2 2 228.336 1.012 10 0 BDAELP C[N@@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616602636 411894491 /nfs/dbraw/zinc/89/44/91/411894491.db2.gz MRZAODXRYVDGKB-NSHDSACASA-N 2 2 205.305 1.863 10 0 BDAELP C[N@H+]1CCCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616602636 411894495 /nfs/dbraw/zinc/89/44/95/411894495.db2.gz MRZAODXRYVDGKB-NSHDSACASA-N 2 2 205.305 1.863 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1C1(C[NH3+])CCCC1 ZINC000042450338 171112829 /nfs/dbraw/zinc/11/28/29/171112829.db2.gz NDSGXIZMGIADOD-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1C1(C[NH3+])CCCC1 ZINC000042450338 171112830 /nfs/dbraw/zinc/11/28/30/171112830.db2.gz NDSGXIZMGIADOD-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP CCn1c(CC[NH3+])[nH+]c2cc(OC)ccc21 ZINC000074297557 172144523 /nfs/dbraw/zinc/14/45/23/172144523.db2.gz PRNIERUQIAXSGD-UHFFFAOYSA-N 2 2 219.288 1.566 10 0 BDAELP CCn1cc([C@@H](C)[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000044500913 172192875 /nfs/dbraw/zinc/19/28/75/172192875.db2.gz IYLZQYIIKOIVSQ-LLVKDONJSA-N 2 2 222.336 1.259 10 0 BDAELP CCn1cc([C@@H](C)[N@H+]2CCC[NH2+]CC2)cn1 ZINC000044500913 172192878 /nfs/dbraw/zinc/19/28/78/172192878.db2.gz IYLZQYIIKOIVSQ-LLVKDONJSA-N 2 2 222.336 1.259 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000054243339 173010197 /nfs/dbraw/zinc/01/01/97/173010197.db2.gz CCZPDKAYDYYGKD-STQMWFEESA-N 2 2 226.364 1.487 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000054243339 173010198 /nfs/dbraw/zinc/01/01/98/173010198.db2.gz CCZPDKAYDYYGKD-STQMWFEESA-N 2 2 226.364 1.487 10 0 BDAELP C[N@@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)C1 ZINC000040715738 173046823 /nfs/dbraw/zinc/04/68/23/173046823.db2.gz KRLFFUVRCAMURN-JTQLQIEISA-N 2 2 206.293 1.170 10 0 BDAELP C[N@H+]1CCC[C@H](Nc2ccc(N)[nH+]c2)C1 ZINC000040715738 173046825 /nfs/dbraw/zinc/04/68/25/173046825.db2.gz KRLFFUVRCAMURN-JTQLQIEISA-N 2 2 206.293 1.170 10 0 BDAELP C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CC[NH+](C)C1 ZINC000120991379 173112054 /nfs/dbraw/zinc/11/20/54/173112054.db2.gz YXPURGVNFWPXKP-LLVKDONJSA-N 2 2 238.331 1.155 10 0 BDAELP C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CC[NH+](C)C1 ZINC000120991379 173112056 /nfs/dbraw/zinc/11/20/56/173112056.db2.gz YXPURGVNFWPXKP-LLVKDONJSA-N 2 2 238.331 1.155 10 0 BDAELP C[NH+](Cc1ccc(CO)o1)C[C@@H]1CC[N@H+](C)C1 ZINC000120991379 173112057 /nfs/dbraw/zinc/11/20/57/173112057.db2.gz YXPURGVNFWPXKP-LLVKDONJSA-N 2 2 238.331 1.155 10 0 BDAELP C[NH+](Cc1ccc(CO)o1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120991379 173112060 /nfs/dbraw/zinc/11/20/60/173112060.db2.gz YXPURGVNFWPXKP-LLVKDONJSA-N 2 2 238.331 1.155 10 0 BDAELP C[NH2+]C1(CN(C)c2ccc(C)[nH+]c2)CC1 ZINC000034850037 173321043 /nfs/dbraw/zinc/32/10/43/173321043.db2.gz XHGBODMGCRPDKS-UHFFFAOYSA-N 2 2 205.305 1.578 10 0 BDAELP C[NH2+]CCN(C)CCc1ccc2c(c1)[nH+]cn2C ZINC000077403820 173352614 /nfs/dbraw/zinc/35/26/14/173352614.db2.gz VIWKQGREKMYBSC-UHFFFAOYSA-N 2 2 246.358 1.267 10 0 BDAELP C[NH2+]CCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000043598754 173361386 /nfs/dbraw/zinc/36/13/86/173361386.db2.gz BDLDYMLYGKAFOT-UHFFFAOYSA-N 2 2 211.215 1.603 10 0 BDAELP C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000019864362 173365908 /nfs/dbraw/zinc/36/59/08/173365908.db2.gz UVJKGXLXHYPLLW-LLVKDONJSA-N 2 2 233.315 1.233 10 0 BDAELP C[NH2+]Cc1cc(Cn2cc[nH+]c2)c(C)o1 ZINC000052575513 173387555 /nfs/dbraw/zinc/38/75/55/173387555.db2.gz KPMLXNQOHGPNLY-UHFFFAOYSA-N 2 2 205.261 1.552 10 0 BDAELP C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000052575520 173390119 /nfs/dbraw/zinc/39/01/19/173390119.db2.gz KTCVRLRGEHQOGY-UHFFFAOYSA-N 2 2 201.273 1.651 10 0 BDAELP C[NH2+]Cc1occc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382427 173399709 /nfs/dbraw/zinc/39/97/09/173399709.db2.gz CMDPLPYXCWDFPW-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1occc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382427 173399711 /nfs/dbraw/zinc/39/97/11/173399711.db2.gz CMDPLPYXCWDFPW-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP COCCC[N@H+](C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000062029365 174221247 /nfs/dbraw/zinc/22/12/47/174221247.db2.gz ZAMMLKNKEKZJGM-DGCLKSJQSA-N 2 2 237.347 1.438 10 0 BDAELP COCCC[N@@H+](C)[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000062029365 174221250 /nfs/dbraw/zinc/22/12/50/174221250.db2.gz ZAMMLKNKEKZJGM-DGCLKSJQSA-N 2 2 237.347 1.438 10 0 BDAELP COCC[N@H+](C)[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042909058 174283513 /nfs/dbraw/zinc/28/35/13/174283513.db2.gz XKPMODRQQCTNOT-JSGCOSHPSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042909058 174283514 /nfs/dbraw/zinc/28/35/14/174283514.db2.gz XKPMODRQQCTNOT-JSGCOSHPSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+](C)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972452 174284235 /nfs/dbraw/zinc/28/42/35/174284235.db2.gz BLKDEKBGZNRTBB-MFKMUULPSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972452 174284237 /nfs/dbraw/zinc/28/42/37/174284237.db2.gz BLKDEKBGZNRTBB-MFKMUULPSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@H+](C[C@@H]1CCCC[NH2+]1)[C@@H](C)COC ZINC000042610850 174297970 /nfs/dbraw/zinc/29/79/70/174297970.db2.gz PNIJBHBDNLGDQD-STQMWFEESA-N 2 2 244.379 1.112 10 0 BDAELP COCC[N@@H+](C[C@@H]1CCCC[NH2+]1)[C@@H](C)COC ZINC000042610850 174297972 /nfs/dbraw/zinc/29/79/72/174297972.db2.gz PNIJBHBDNLGDQD-STQMWFEESA-N 2 2 244.379 1.112 10 0 BDAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)C ZINC000053649645 174306892 /nfs/dbraw/zinc/30/68/92/174306892.db2.gz PVHBHTUPHNIKHW-LLVKDONJSA-N 2 2 214.353 1.485 10 0 BDAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)C ZINC000053649645 174306893 /nfs/dbraw/zinc/30/68/93/174306893.db2.gz PVHBHTUPHNIKHW-LLVKDONJSA-N 2 2 214.353 1.485 10 0 BDAELP COCC[NH2+]CCn1cc[nH+]c1-c1ccccc1 ZINC000053540023 174333306 /nfs/dbraw/zinc/33/33/06/174333306.db2.gz LHXUXRYOVHZIOT-UHFFFAOYSA-N 2 2 245.326 1.786 10 0 BDAELP COc1ccc(C[C@H]([NH3+])C[NH+](C)C)cc1OC ZINC000071548922 175117387 /nfs/dbraw/zinc/11/73/87/175117387.db2.gz AZHCJWMTDVCRHO-NSHDSACASA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc(Cl)cc1[C@@H]([NH3+])C[NH3+] ZINC000044473312 175122150 /nfs/dbraw/zinc/12/21/50/175122150.db2.gz WHTIQRCJFKJJST-QMMMGPOBSA-N 2 2 200.669 1.307 10 0 BDAELP COc1ccc([C@H]([NH3+])Cn2cc[nH+]c2)cc1OC ZINC000038808826 175191905 /nfs/dbraw/zinc/19/19/05/175191905.db2.gz ZUJRGIHNKYQOKY-LLVKDONJSA-N 2 2 247.298 1.600 10 0 BDAELP COc1ccc2cc([C@H]([NH3+])C[NH3+])ccc2c1 ZINC000035677051 175225492 /nfs/dbraw/zinc/22/54/92/175225492.db2.gz HVXKEWXXBSBKSX-CYBMUJFWSA-N 2 2 216.284 1.807 10 0 BDAELP COc1cccc(C[C@@H]([NH3+])C[NH+](C)C)c1 ZINC000071511246 175271572 /nfs/dbraw/zinc/27/15/72/175271572.db2.gz XVKKTQMMAWSPJH-LLVKDONJSA-N 2 2 208.305 1.127 10 0 BDAELP COc1cccc(OC[C@](C)(C[NH3+])[NH+](C)C)c1 ZINC000019667445 175284179 /nfs/dbraw/zinc/28/41/79/175284179.db2.gz CJWKJSIYCHAQTD-ZDUSSCGKSA-N 2 2 238.331 1.353 10 0 BDAELP COc1cccc([C@H]2[C@@H]([NH3+])CC[N@@H+]2C2CC2)c1 ZINC000070299718 175296876 /nfs/dbraw/zinc/29/68/76/175296876.db2.gz LNCNFGRZOJOWPW-KBPBESRZSA-N 2 2 232.327 1.932 10 0 BDAELP COc1cccc([C@H]2[C@@H]([NH3+])CC[N@H+]2C2CC2)c1 ZINC000070299718 175296877 /nfs/dbraw/zinc/29/68/77/175296877.db2.gz LNCNFGRZOJOWPW-KBPBESRZSA-N 2 2 232.327 1.932 10 0 BDAELP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](C)O[C@@H](C[NH3+])C1 ZINC000071544614 176022324 /nfs/dbraw/zinc/02/23/24/176022324.db2.gz WHAKGJHNMJFYFK-DYEKYZERSA-N 2 2 234.343 1.796 10 0 BDAELP C[C@@H](c1ccccc1)[N@H+]1C[C@@H](C)O[C@@H](C[NH3+])C1 ZINC000071544614 176022326 /nfs/dbraw/zinc/02/23/26/176022326.db2.gz WHAKGJHNMJFYFK-DYEKYZERSA-N 2 2 234.343 1.796 10 0 BDAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCn1cc[nH+]c1 ZINC000042427521 176202612 /nfs/dbraw/zinc/20/26/12/176202612.db2.gz NSKIDNQVPWKJAO-OLZOCXBDSA-N 3 2 236.363 1.332 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CCOc1ccccc1 ZINC000044421607 176229540 /nfs/dbraw/zinc/22/95/40/176229540.db2.gz DJNIPRUKTSRZSI-OLZOCXBDSA-N 2 2 234.343 1.877 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CCOc1ccccc1 ZINC000044421607 176229541 /nfs/dbraw/zinc/22/95/41/176229541.db2.gz DJNIPRUKTSRZSI-OLZOCXBDSA-N 2 2 234.343 1.877 10 0 BDAELP C[C@@H]1C[N@H+](C[C@](C)([NH3+])c2ccccc2)CCCO1 ZINC000061934611 176301971 /nfs/dbraw/zinc/30/19/71/176301971.db2.gz OZVYKRKNOXMUFZ-HIFRSBDPSA-N 2 2 248.370 1.971 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@](C)([NH3+])c2ccccc2)CCCO1 ZINC000061934611 176301973 /nfs/dbraw/zinc/30/19/73/176301973.db2.gz OZVYKRKNOXMUFZ-HIFRSBDPSA-N 2 2 248.370 1.971 10 0 BDAELP C[C@@H]1C[NH+](Cc2occc2C[NH3+])C[C@@H](C)O1 ZINC000052380427 176312996 /nfs/dbraw/zinc/31/29/96/176312996.db2.gz OEVKWIDXDPUXNO-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022355 176316012 /nfs/dbraw/zinc/31/60/12/176316012.db2.gz CZJPPZJOUWYETJ-YPMHNXCESA-N 2 2 247.342 1.774 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022355 176316014 /nfs/dbraw/zinc/31/60/14/176316014.db2.gz CZJPPZJOUWYETJ-YPMHNXCESA-N 2 2 247.342 1.774 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675037 176325450 /nfs/dbraw/zinc/32/54/50/176325450.db2.gz GTUTWMINMOXCIY-LLVKDONJSA-N 2 2 248.326 1.457 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675037 176325451 /nfs/dbraw/zinc/32/54/51/176325451.db2.gz GTUTWMINMOXCIY-LLVKDONJSA-N 2 2 248.326 1.457 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccnc2)C1 ZINC000049662131 176325813 /nfs/dbraw/zinc/32/58/13/176325813.db2.gz ALRCTSWTWKFFEL-LLVKDONJSA-N 2 2 205.305 1.123 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccnc2)C1 ZINC000049662131 176325815 /nfs/dbraw/zinc/32/58/15/176325815.db2.gz ALRCTSWTWKFFEL-LLVKDONJSA-N 2 2 205.305 1.123 10 0 BDAELP C[C@H](c1cnn(C)c1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540600 177052644 /nfs/dbraw/zinc/05/26/44/177052644.db2.gz LSTXYGZOIYWZSE-ZYHUDNBSSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@H](c1cnn(C)c1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540600 177052645 /nfs/dbraw/zinc/05/26/45/177052645.db2.gz LSTXYGZOIYWZSE-ZYHUDNBSSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@H]1CCC[C@@](C[NH3+])(N2CCn3cc[nH+]c3C2)C1 ZINC000062249335 177127893 /nfs/dbraw/zinc/12/78/93/177127893.db2.gz RCGZZURRNKIRLK-GXTWGEPZSA-N 2 2 248.374 1.606 10 0 BDAELP C[C@H]1CC[N@H+](C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000044982850 177162205 /nfs/dbraw/zinc/16/22/05/177162205.db2.gz CQSSERRTPFLLFH-RYUDHWBXSA-N 2 2 212.337 1.097 10 0 BDAELP C[C@H]1CC[N@@H+](C[C@@H]2CCCOC2)CC[NH2+]1 ZINC000044982850 177162206 /nfs/dbraw/zinc/16/22/06/177162206.db2.gz CQSSERRTPFLLFH-RYUDHWBXSA-N 2 2 212.337 1.097 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235674371 177164874 /nfs/dbraw/zinc/16/48/74/177164874.db2.gz WDPTYYMRGLFVFQ-WCQYABFASA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235674371 177164876 /nfs/dbraw/zinc/16/48/76/177164876.db2.gz WDPTYYMRGLFVFQ-WCQYABFASA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCC1 ZINC000042427526 177200986 /nfs/dbraw/zinc/20/09/86/177200986.db2.gz DZRMQCFSBVSNPN-UONOGXRCSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCC1 ZINC000042427526 177200987 /nfs/dbraw/zinc/20/09/87/177200987.db2.gz DZRMQCFSBVSNPN-UONOGXRCSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561785 177235347 /nfs/dbraw/zinc/23/53/47/177235347.db2.gz BZDAPBXJNLWRRT-CBAPKCEASA-N 2 2 204.264 1.324 10 0 BDAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561785 177235349 /nfs/dbraw/zinc/23/53/49/177235349.db2.gz BZDAPBXJNLWRRT-CBAPKCEASA-N 2 2 204.264 1.324 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]c[nH+]1 ZINC000093437446 177280341 /nfs/dbraw/zinc/28/03/41/177280341.db2.gz QWCLIKYQQOGTGU-CMPLNLGQSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH]c[nH+]1 ZINC000093437446 177280342 /nfs/dbraw/zinc/28/03/42/177280342.db2.gz QWCLIKYQQOGTGU-CMPLNLGQSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c[nH]1 ZINC000093437446 177280345 /nfs/dbraw/zinc/28/03/45/177280345.db2.gz QWCLIKYQQOGTGU-CMPLNLGQSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c[nH]1 ZINC000093437446 177280346 /nfs/dbraw/zinc/28/03/46/177280346.db2.gz QWCLIKYQQOGTGU-CMPLNLGQSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H]1COCC[N@@H+]1[C@@H](C[NH3+])C1CCCC1 ZINC000050272171 177293749 /nfs/dbraw/zinc/29/37/49/177293749.db2.gz HKGRVQUVJLMQPD-JQWIXIFHSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@H]1COCC[N@H+]1[C@@H](C[NH3+])C1CCCC1 ZINC000050272171 177293750 /nfs/dbraw/zinc/29/37/50/177293750.db2.gz HKGRVQUVJLMQPD-JQWIXIFHSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@H+]1CCC[NH+]1CCCCC1 ZINC000125254302 177298328 /nfs/dbraw/zinc/29/83/28/177298328.db2.gz QZIRUEVQAUUNTG-OKILXGFUSA-N 2 2 240.391 1.972 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@@H+]1CCC[NH+]1CCCCC1 ZINC000125254302 177298330 /nfs/dbraw/zinc/29/83/30/177298330.db2.gz QZIRUEVQAUUNTG-OKILXGFUSA-N 2 2 240.391 1.972 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075323 177314367 /nfs/dbraw/zinc/31/43/67/177314367.db2.gz SDEFAJJMNSTIIT-LOWVWBTDSA-N 2 2 236.363 1.398 10 0 BDAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341464264 177363419 /nfs/dbraw/zinc/36/34/19/177363419.db2.gz PUFVZFNIWRQZSR-PDWCTOEPSA-N 2 2 240.391 1.730 10 0 BDAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341464264 177363421 /nfs/dbraw/zinc/36/34/21/177363421.db2.gz PUFVZFNIWRQZSR-PDWCTOEPSA-N 2 2 240.391 1.730 10 0 BDAELP C([NH2+]C[C@H]1CC[NH2+]C1)c1nc2c(s1)CCC2 ZINC000666845549 487889362 /nfs/dbraw/zinc/88/93/62/487889362.db2.gz IQIUAZREVJFOCD-VIFPVBQESA-N 2 2 237.372 1.331 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958476 323035207 /nfs/dbraw/zinc/03/52/07/323035207.db2.gz JUTDDTHQMVHTPY-MELADBBJSA-N 3 2 239.407 1.448 10 0 BDAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000562958476 323035208 /nfs/dbraw/zinc/03/52/08/323035208.db2.gz JUTDDTHQMVHTPY-MELADBBJSA-N 3 2 239.407 1.448 10 0 BDAELP CC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000389393775 488093670 /nfs/dbraw/zinc/09/36/70/488093670.db2.gz JNJGTCFKQMQXNK-LLVKDONJSA-N 2 2 220.320 1.600 10 0 BDAELP CC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000389393775 488093677 /nfs/dbraw/zinc/09/36/77/488093677.db2.gz JNJGTCFKQMQXNK-LLVKDONJSA-N 2 2 220.320 1.600 10 0 BDAELP CC[C@@H](C)[N@H+](CC)Cc1noc(C[NH3+])n1 ZINC000300877037 487543049 /nfs/dbraw/zinc/54/30/49/487543049.db2.gz KXPISRWVHZTQRB-MRVPVSSYSA-N 2 2 212.297 1.149 10 0 BDAELP CC[C@@H](C)[N@@H+](CC)Cc1noc(C[NH3+])n1 ZINC000300877037 487543053 /nfs/dbraw/zinc/54/30/53/487543053.db2.gz KXPISRWVHZTQRB-MRVPVSSYSA-N 2 2 212.297 1.149 10 0 BDAELP Cc1nc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)co1 ZINC000310247301 488147646 /nfs/dbraw/zinc/14/76/46/488147646.db2.gz JPPSTJHQACYRHR-GFCCVEGCSA-N 2 2 223.320 1.557 10 0 BDAELP Cc1nc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)co1 ZINC000310247301 488147649 /nfs/dbraw/zinc/14/76/49/488147649.db2.gz JPPSTJHQACYRHR-GFCCVEGCSA-N 2 2 223.320 1.557 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757124891 582499748 /nfs/dbraw/zinc/49/97/48/582499748.db2.gz CLEGSSOTUQATHQ-QWRGUYRKSA-N 2 2 200.301 1.562 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC000757124891 582499750 /nfs/dbraw/zinc/49/97/50/582499750.db2.gz CLEGSSOTUQATHQ-QWRGUYRKSA-N 2 2 200.301 1.562 10 0 BDAELP CC(C)(C)[C@@H]1C[NH2+][C@@]2(CCC[NH2+]C2)OC1 ZINC000757143759 582524158 /nfs/dbraw/zinc/52/41/58/582524158.db2.gz FFJZRDSTNKTANX-PWSUYJOCSA-N 2 2 212.337 1.348 10 0 BDAELP Cc1cc(C)[nH+]c(CN2CC[C@@H]2C[NH3+])c1 ZINC000757144306 582525045 /nfs/dbraw/zinc/52/50/45/582525045.db2.gz IXCOYCXTERAJTP-GFCCVEGCSA-N 2 2 205.305 1.231 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000220879490 535581057 /nfs/dbraw/zinc/58/10/57/535581057.db2.gz MBFAVROEPIWONI-UNXYVOJBSA-N 2 2 212.337 1.238 10 0 BDAELP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400400786 527978955 /nfs/dbraw/zinc/97/89/55/527978955.db2.gz PTSFGRLWNBWDJY-OLZOCXBDSA-N 3 2 227.396 1.306 10 0 BDAELP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400400786 527978957 /nfs/dbraw/zinc/97/89/57/527978957.db2.gz PTSFGRLWNBWDJY-OLZOCXBDSA-N 3 2 227.396 1.306 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)COC)C1 ZINC000249764221 535541071 /nfs/dbraw/zinc/54/10/71/535541071.db2.gz YINJXRTWRNMNGA-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)COC)C1 ZINC000249764221 535541073 /nfs/dbraw/zinc/54/10/73/535541073.db2.gz YINJXRTWRNMNGA-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000220879490 535581053 /nfs/dbraw/zinc/58/10/53/535581053.db2.gz MBFAVROEPIWONI-UNXYVOJBSA-N 2 2 212.337 1.238 10 0 BDAELP CCc1c(C)[nH+]c(C(C)C)nc1N1CC[NH2+]CC1 ZINC000045950747 536070012 /nfs/dbraw/zinc/07/00/12/536070012.db2.gz AHWSCOFPYWIFJJ-UHFFFAOYSA-N 2 2 248.374 1.880 10 0 BDAELP CC[C@H]1C[NH2+][C@H](C)CN1c1c[nH+]ccc1C ZINC000083086108 536170039 /nfs/dbraw/zinc/17/00/39/536170039.db2.gz MGSVYKMSJOWMOT-NEPJUHHUSA-N 2 2 219.332 1.967 10 0 BDAELP COCCC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757123821 582498393 /nfs/dbraw/zinc/49/83/93/582498393.db2.gz ASGHMICKALSUMQ-CQSZACIVSA-N 2 2 238.375 1.583 10 0 BDAELP COCCC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757123821 582498394 /nfs/dbraw/zinc/49/83/94/582498394.db2.gz ASGHMICKALSUMQ-CQSZACIVSA-N 2 2 238.375 1.583 10 0 BDAELP C[C@@H]1C[C@H]1[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126437 582500641 /nfs/dbraw/zinc/50/06/41/582500641.db2.gz FRMAEGNKRRCBJI-MRVWCRGKSA-N 2 2 220.360 1.955 10 0 BDAELP C[C@@H]1C[C@H]1[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126437 582500642 /nfs/dbraw/zinc/50/06/42/582500642.db2.gz FRMAEGNKRRCBJI-MRVWCRGKSA-N 2 2 220.360 1.955 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000394581318 582995498 /nfs/dbraw/zinc/99/54/98/582995498.db2.gz ZDCVDLBIRRZREU-QWHCGFSZSA-N 2 2 228.380 1.611 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000394581318 582995500 /nfs/dbraw/zinc/99/55/00/582995500.db2.gz ZDCVDLBIRRZREU-QWHCGFSZSA-N 2 2 228.380 1.611 10 0 BDAELP C[C@@H]1C[C@H](c2ccc(C=O)s2)[NH2+]C[C@@H]1[NH3+] ZINC000757210646 586438468 /nfs/dbraw/zinc/43/84/68/586438468.db2.gz GMAQZPAKPPXIOM-FKTZTGRPSA-N 2 2 224.329 1.558 10 0 BDAELP CCn1cc([C@@H]2CC[C@@H]([NH3+])[C@@H](C)[NH2+]2)cn1 ZINC000757227487 586442527 /nfs/dbraw/zinc/44/25/27/586442527.db2.gz BWDZMHPSVWTBBV-IEBDPFPHSA-N 2 2 208.309 1.043 10 0 BDAELP C[C@@H]1[NH2+][C@@H](c2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000757239477 586444278 /nfs/dbraw/zinc/44/42/78/586444278.db2.gz UINLNCNTUHHCJA-MVWJERBFSA-N 2 2 236.363 1.778 10 0 BDAELP Cc1ccc(OC[C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094088076 635183234 /nfs/dbraw/zinc/18/32/34/635183234.db2.gz BPIBZXNEOVSQDG-STQMWFEESA-N 2 2 234.343 1.714 10 0 BDAELP C(C[NH2+]C1CC1)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427160 638318498 /nfs/dbraw/zinc/31/84/98/638318498.db2.gz HQPUSMQUEZYYLJ-UONOGXRCSA-N 2 2 238.375 1.772 10 0 BDAELP C(C[NH2+]C1CC1)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000043427160 638318505 /nfs/dbraw/zinc/31/85/05/638318505.db2.gz HQPUSMQUEZYYLJ-UONOGXRCSA-N 2 2 238.375 1.772 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1cccc(C=O)c1 ZINC000757211086 643371458 /nfs/dbraw/zinc/37/14/58/643371458.db2.gz FYCKVCJQZMIGGO-OASPWFOLSA-N 2 2 218.300 1.497 10 0 BDAELP CC/C=C(/C)C[N@@H+]1CCN2CC[NH+](C)C[C@@H]2C1 ZINC000096736553 644833653 /nfs/dbraw/zinc/83/36/53/644833653.db2.gz VMUOXXHUFBPPIN-MECSIWFOSA-N 2 2 237.391 1.274 10 0 BDAELP CC/C=C(/C)C[N@H+]1CCN2CC[NH+](C)C[C@@H]2C1 ZINC000096736553 644833661 /nfs/dbraw/zinc/83/36/61/644833661.db2.gz VMUOXXHUFBPPIN-MECSIWFOSA-N 2 2 237.391 1.274 10 0 BDAELP CC/C=C(/C)C[NH+]1CCN2CC[N@H+](C)C[C@@H]2C1 ZINC000096736553 644833664 /nfs/dbraw/zinc/83/36/64/644833664.db2.gz VMUOXXHUFBPPIN-MECSIWFOSA-N 2 2 237.391 1.274 10 0 BDAELP CC/C=C(/C)C[NH+]1CCN2CC[N@@H+](C)C[C@@H]2C1 ZINC000096736553 644833669 /nfs/dbraw/zinc/83/36/69/644833669.db2.gz VMUOXXHUFBPPIN-MECSIWFOSA-N 2 2 237.391 1.274 10 0 BDAELP CC1(C)C[NH2+]C[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000721978248 711856033 /nfs/dbraw/zinc/85/60/33/711856033.db2.gz VJBOXJDSGSXWDE-NSHDSACASA-N 2 2 230.315 1.973 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712437951 712429645 /nfs/dbraw/zinc/42/96/45/712429645.db2.gz MASLIUIWJNKMAR-RYUDHWBXSA-N 2 2 224.348 1.511 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)O1 ZINC000712437951 712429646 /nfs/dbraw/zinc/42/96/46/712429646.db2.gz MASLIUIWJNKMAR-RYUDHWBXSA-N 2 2 224.348 1.511 10 0 BDAELP CC[NH2+]CC(F)(F)Cn1cc[nH+]c1C ZINC000685956978 538901411 /nfs/dbraw/zinc/90/14/11/538901411.db2.gz OJDXZRXBWSTVLC-UHFFFAOYSA-N 2 2 203.236 1.436 10 0 BDAELP Fc1ccc(CC[NH2+][C@H]2CC[NH2+]C2)cc1F ZINC000258765812 349514194 /nfs/dbraw/zinc/51/41/94/349514194.db2.gz ATUSUPSLVJTMBI-JTQLQIEISA-N 2 2 226.270 1.459 10 0 BDAELP Cc1cc(N2CC[C@H](C[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000050249594 178119201 /nfs/dbraw/zinc/11/92/01/178119201.db2.gz VZEPNHYUKONAMA-LLVKDONJSA-N 2 2 234.347 1.693 10 0 BDAELP Cc1cc(NC2CC([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000036268774 178153412 /nfs/dbraw/zinc/15/34/12/178153412.db2.gz KUFXNBXOOHFJPA-UHFFFAOYSA-N 2 2 220.320 1.810 10 0 BDAELP Cc1cc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301919873 178182966 /nfs/dbraw/zinc/18/29/66/178182966.db2.gz IUBPGHABBFCBRF-GHMZBOCLSA-N 2 2 220.320 1.680 10 0 BDAELP C[NH+]1CCC(Nc2ccc(N)c[nH+]2)CC1 ZINC000037267296 361801182 /nfs/dbraw/zinc/80/11/82/361801182.db2.gz BALJHZFKRMMWOG-UHFFFAOYSA-N 2 2 206.293 1.170 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2nccc3ccccc32)C1 ZINC000616612991 349594548 /nfs/dbraw/zinc/59/45/48/349594548.db2.gz UZPSRUJJNJYFRS-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2nccc3ccccc32)C1 ZINC000616612991 349594550 /nfs/dbraw/zinc/59/45/50/349594550.db2.gz UZPSRUJJNJYFRS-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266044 539027070 /nfs/dbraw/zinc/02/70/70/539027070.db2.gz URBYGWQHWCGIDU-LLVKDONJSA-N 3 2 239.407 1.719 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000725266044 539027071 /nfs/dbraw/zinc/02/70/71/539027071.db2.gz URBYGWQHWCGIDU-LLVKDONJSA-N 3 2 239.407 1.719 10 0 BDAELP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000300804969 259328144 /nfs/dbraw/zinc/32/81/44/259328144.db2.gz BGTAWNSRWREEDW-IUCAKERBSA-N 2 2 224.308 1.291 10 0 BDAELP CC[C@H]1CC[C@H](C)[N@H+]1Cc1noc(C[NH3+])n1 ZINC000300804969 259328145 /nfs/dbraw/zinc/32/81/45/259328145.db2.gz BGTAWNSRWREEDW-IUCAKERBSA-N 2 2 224.308 1.291 10 0 BDAELP COc1c(C)c[nH+]c(CSCC[NH3+])c1C ZINC000019844458 342959302 /nfs/dbraw/zinc/95/93/02/342959302.db2.gz MYFNRQCZNMTDGV-UHFFFAOYSA-N 2 2 226.345 1.899 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000072201039 343069523 /nfs/dbraw/zinc/06/95/23/343069523.db2.gz GGOORWITWKRVOO-MRVPVSSYSA-N 2 2 222.185 1.803 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232275 187259102 /nfs/dbraw/zinc/25/91/02/187259102.db2.gz PRCGCQZCSJTSHP-ZDUSSCGKSA-N 2 2 228.380 1.861 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232275 187259103 /nfs/dbraw/zinc/25/91/03/187259103.db2.gz PRCGCQZCSJTSHP-ZDUSSCGKSA-N 2 2 228.380 1.861 10 0 BDAELP Nc1ccc(SC[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000043497562 187266937 /nfs/dbraw/zinc/26/69/37/187266937.db2.gz VXVHXOMIEHLZSR-QMMMGPOBSA-N 2 2 209.318 1.508 10 0 BDAELP Cc1cc(N)c[nH+]c1N[C@@H]1CCC[N@@H+](C)C1 ZINC000052812946 187271470 /nfs/dbraw/zinc/27/14/70/187271470.db2.gz CKYDVAPRHJZPKM-LLVKDONJSA-N 2 2 220.320 1.478 10 0 BDAELP Cc1cc(N)c[nH+]c1N[C@@H]1CCC[N@H+](C)C1 ZINC000052812946 187271471 /nfs/dbraw/zinc/27/14/71/187271471.db2.gz CKYDVAPRHJZPKM-LLVKDONJSA-N 2 2 220.320 1.478 10 0 BDAELP [NH3+]Cc1cccn2c3c([nH+]c12)CCCC3 ZINC000409440224 343851381 /nfs/dbraw/zinc/85/13/81/343851381.db2.gz KBVVKVUMQHDXMN-UHFFFAOYSA-N 2 2 201.273 1.672 10 0 BDAELP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641304769 362353773 /nfs/dbraw/zinc/35/37/73/362353773.db2.gz UQPRJOWXEHOCFG-JTQLQIEISA-N 2 2 223.295 1.539 10 0 BDAELP CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2F)C1 ZINC000641304769 362353777 /nfs/dbraw/zinc/35/37/77/362353777.db2.gz UQPRJOWXEHOCFG-JTQLQIEISA-N 2 2 223.295 1.539 10 0 BDAELP CC(C)c1nc(N2CC[C@H](C[NH3+])C2)cc[nH+]1 ZINC000212411170 344133355 /nfs/dbraw/zinc/13/33/55/344133355.db2.gz OVMHZYCAHNYCAB-SNVBAGLBSA-N 2 2 220.320 1.385 10 0 BDAELP C(C[N@@H+]1CCCSCC1)[NH2+]C1CCCC1 ZINC000042444856 187291724 /nfs/dbraw/zinc/29/17/24/187291724.db2.gz KSDBDFBPQLGLGU-UHFFFAOYSA-N 2 2 228.405 1.958 10 0 BDAELP C(C[N@H+]1CCCSCC1)[NH2+]C1CCCC1 ZINC000042444856 187291726 /nfs/dbraw/zinc/29/17/26/187291726.db2.gz KSDBDFBPQLGLGU-UHFFFAOYSA-N 2 2 228.405 1.958 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000050269885 344666844 /nfs/dbraw/zinc/66/68/44/344666844.db2.gz NZUIVJRPPWUUIJ-SECBINFHSA-N 2 2 234.221 1.804 10 0 BDAELP CC(C)C[C@@H](C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461417 187292264 /nfs/dbraw/zinc/29/22/64/187292264.db2.gz QKVIBNUOKHBKAF-NSHDSACASA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)C[C@@H](C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461417 187292266 /nfs/dbraw/zinc/29/22/66/187292266.db2.gz QKVIBNUOKHBKAF-NSHDSACASA-N 2 2 214.353 1.471 10 0 BDAELP C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000248118204 345045824 /nfs/dbraw/zinc/04/58/24/345045824.db2.gz MGWVTGRKKDEHIA-GJZGRUSLSA-N 2 2 248.370 1.431 10 0 BDAELP C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000248118204 345045825 /nfs/dbraw/zinc/04/58/25/345045825.db2.gz MGWVTGRKKDEHIA-GJZGRUSLSA-N 2 2 248.370 1.431 10 0 BDAELP C[C@H]([NH2+][C@H]1CCCC[C@H]1[NH3+])c1cnccn1 ZINC000248091258 345036818 /nfs/dbraw/zinc/03/68/18/345036818.db2.gz VLJHWKMPVUHAHI-AXFHLTTASA-N 2 2 220.320 1.397 10 0 BDAELP CC(C)[C@@H]1C[NH2+]CCN1C1=[NH+]CCS1 ZINC000083347602 187318970 /nfs/dbraw/zinc/31/89/70/187318970.db2.gz ICYKYKGMHBIGGA-VIFPVBQESA-N 2 2 213.350 1.019 10 0 BDAELP Cc1cccc([C@H]([NH3+])C[NH3+])c1Br ZINC000072201221 179200612 /nfs/dbraw/zinc/20/06/12/179200612.db2.gz CKVUQQTVFYCJHJ-MRVPVSSYSA-N 2 2 229.121 1.716 10 0 BDAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CC[C@H](O)C2)c1 ZINC000061709832 179203701 /nfs/dbraw/zinc/20/37/01/179203701.db2.gz RSVUZWMDTOOFDM-UBHSHLNASA-N 2 2 234.343 1.450 10 0 BDAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CC[C@H](O)C2)c1 ZINC000061709832 179203703 /nfs/dbraw/zinc/20/37/03/179203703.db2.gz RSVUZWMDTOOFDM-UBHSHLNASA-N 2 2 234.343 1.450 10 0 BDAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[NH+]1CCC(O)CC1 ZINC000043033632 179329095 /nfs/dbraw/zinc/32/90/95/179329095.db2.gz XXEGIDCOVRQDOD-IUODEOHRSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649487 180250936 /nfs/dbraw/zinc/25/09/36/180250936.db2.gz FSEPRUVQAVFKLY-CQSZACIVSA-N 3 2 248.374 1.408 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC1 ZINC000053649487 180250938 /nfs/dbraw/zinc/25/09/38/180250938.db2.gz FSEPRUVQAVFKLY-CQSZACIVSA-N 3 2 248.374 1.408 10 0 BDAELP Cc1[nH+]cn(-c2ccc(Cl)c(C[NH3+])n2)c1C ZINC000051928480 180286085 /nfs/dbraw/zinc/28/60/85/180286085.db2.gz IZQUANGMDRQAMJ-UHFFFAOYSA-N 2 2 236.706 1.996 10 0 BDAELP C[N@@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616593270 350559430 /nfs/dbraw/zinc/55/94/30/350559430.db2.gz IPEVBHQOZWTHGR-LLVKDONJSA-N 2 2 207.277 1.172 10 0 BDAELP C[N@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616593270 350559432 /nfs/dbraw/zinc/55/94/32/350559432.db2.gz IPEVBHQOZWTHGR-LLVKDONJSA-N 2 2 207.277 1.172 10 0 BDAELP Nc1cccc([C@H]2CCC[N@H+](CCO)CC2)[nH+]1 ZINC000616600115 350779749 /nfs/dbraw/zinc/77/97/49/350779749.db2.gz BVJDKSCDULJCAY-NSHDSACASA-N 2 2 235.331 1.226 10 0 BDAELP Nc1cccc([C@H]2CCC[N@@H+](CCO)CC2)[nH+]1 ZINC000616600115 350779753 /nfs/dbraw/zinc/77/97/53/350779753.db2.gz BVJDKSCDULJCAY-NSHDSACASA-N 2 2 235.331 1.226 10 0 BDAELP Nc1ncccc1[C@@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616605697 350795055 /nfs/dbraw/zinc/79/50/55/350795055.db2.gz UZQUOWHWVROPBT-LLVKDONJSA-N 2 2 234.347 1.192 10 0 BDAELP Nc1ncccc1[C@@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616605697 350795057 /nfs/dbraw/zinc/79/50/57/350795057.db2.gz UZQUOWHWVROPBT-LLVKDONJSA-N 2 2 234.347 1.192 10 0 BDAELP Cc1cc([NH3+])ccc1N1CCC[NH2+]CC1 ZINC000106885750 350846755 /nfs/dbraw/zinc/84/67/55/350846755.db2.gz HMVQEAUIHBLIKE-UHFFFAOYSA-N 2 2 205.305 1.377 10 0 BDAELP Nc1cccc([C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616620424 350940383 /nfs/dbraw/zinc/94/03/83/350940383.db2.gz JGPOLMNGCLKUTF-GFCCVEGCSA-N 2 2 219.332 1.407 10 0 BDAELP Nc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616620424 350940386 /nfs/dbraw/zinc/94/03/86/350940386.db2.gz JGPOLMNGCLKUTF-GFCCVEGCSA-N 2 2 219.332 1.407 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000306720530 350879468 /nfs/dbraw/zinc/87/94/68/350879468.db2.gz ZPRBTQBALYYXKH-UONOGXRCSA-N 2 2 234.343 1.231 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000306720530 350879471 /nfs/dbraw/zinc/87/94/71/350879471.db2.gz ZPRBTQBALYYXKH-UONOGXRCSA-N 2 2 234.343 1.231 10 0 BDAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CCCSC2)C1 ZINC000250762320 350885653 /nfs/dbraw/zinc/88/56/53/350885653.db2.gz ROTLVPOVCGAQPS-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CCCSC2)C1 ZINC000250762320 350885655 /nfs/dbraw/zinc/88/56/55/350885655.db2.gz ROTLVPOVCGAQPS-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC000306800754 351055971 /nfs/dbraw/zinc/05/59/71/351055971.db2.gz PFDXUTDXUYUUPD-ZQMPTTJKSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC000306800754 351055973 /nfs/dbraw/zinc/05/59/73/351055973.db2.gz PFDXUTDXUYUUPD-ZQMPTTJKSA-N 2 2 202.729 1.941 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccccn2)C1 ZINC000616629766 351100784 /nfs/dbraw/zinc/10/07/84/351100784.db2.gz QAUNCIQSDNYMRJ-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccccn2)C1 ZINC000616629766 351100786 /nfs/dbraw/zinc/10/07/86/351100786.db2.gz QAUNCIQSDNYMRJ-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccnc1 ZINC000616625893 351087028 /nfs/dbraw/zinc/08/70/28/351087028.db2.gz WXIZKSPYTULIFE-ZDUSSCGKSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccnc1 ZINC000616625893 351087030 /nfs/dbraw/zinc/08/70/30/351087030.db2.gz WXIZKSPYTULIFE-ZDUSSCGKSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccccn1 ZINC000616624552 351091954 /nfs/dbraw/zinc/09/19/54/351091954.db2.gz ACWRCODQVJOEOP-ZDUSSCGKSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccccn1 ZINC000616624552 351091959 /nfs/dbraw/zinc/09/19/59/351091959.db2.gz ACWRCODQVJOEOP-ZDUSSCGKSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CCN1CC[C@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616674958 351242344 /nfs/dbraw/zinc/24/23/44/351242344.db2.gz GQWFJDQXPQNAGJ-NSHDSACASA-N 2 2 242.326 1.710 10 0 BDAELP CC1(C)SC[C@H]1[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000307071785 351465652 /nfs/dbraw/zinc/46/56/52/351465652.db2.gz XOVUJUOCAYJOHL-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP CC1(C)SC[C@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000307071785 351465657 /nfs/dbraw/zinc/46/56/57/351465657.db2.gz XOVUJUOCAYJOHL-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP CC[C@](C)([C@@H](C)[NH3+])[N@@H+]1CCOC[C@H]1C ZINC000307150789 351505046 /nfs/dbraw/zinc/50/50/46/351505046.db2.gz UOCVKBPRVHPNGA-GMTAPVOTSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CCOC[C@H]1C ZINC000307150789 351505050 /nfs/dbraw/zinc/50/50/50/351505050.db2.gz UOCVKBPRVHPNGA-GMTAPVOTSA-N 2 2 200.326 1.223 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000232008809 351506077 /nfs/dbraw/zinc/50/60/77/351506077.db2.gz SYTNTTMSPHNGSO-CXQRGBQISA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C\Cl)C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000232008809 351506080 /nfs/dbraw/zinc/50/60/80/351506080.db2.gz SYTNTTMSPHNGSO-CXQRGBQISA-N 2 2 202.729 1.798 10 0 BDAELP C[C@@H]1C[C@](C[NH3+])([NH+]2CC(C)(C)C2)CS1 ZINC000307322385 352015929 /nfs/dbraw/zinc/01/59/29/352015929.db2.gz YXLXFXZAMSEZAY-MWLCHTKSSA-N 2 2 214.378 1.551 10 0 BDAELP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+]1C ZINC000307485715 352620911 /nfs/dbraw/zinc/62/09/11/352620911.db2.gz BHFXLHOBJFAKQW-JBDRJPRFSA-N 2 2 204.264 1.322 10 0 BDAELP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+]1C ZINC000307485715 352620913 /nfs/dbraw/zinc/62/09/13/352620913.db2.gz BHFXLHOBJFAKQW-JBDRJPRFSA-N 2 2 204.264 1.322 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223180392 353309928 /nfs/dbraw/zinc/30/99/28/353309928.db2.gz RNNMLPMFMPAYGE-HBNTYKKESA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223180392 353309930 /nfs/dbraw/zinc/30/99/30/353309930.db2.gz RNNMLPMFMPAYGE-HBNTYKKESA-N 2 2 200.326 1.079 10 0 BDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccnc1 ZINC000399056251 353745408 /nfs/dbraw/zinc/74/54/08/353745408.db2.gz ZSSUSISACLKVDN-GFCCVEGCSA-N 2 2 249.358 1.189 10 0 BDAELP Cc1ccc(CC2=C[C@@H]([NH3+])C[NH2+]C2)cc1 ZINC000675077857 538514662 /nfs/dbraw/zinc/51/46/62/538514662.db2.gz SGCOZPMJOITQSW-CYBMUJFWSA-N 2 2 202.301 1.394 10 0 BDAELP [NH3+][C@H]1C=C(Cc2scnc2Cl)C[NH2+]C1 ZINC000675077903 538514961 /nfs/dbraw/zinc/51/49/61/538514961.db2.gz JVWSONOFBXFCRF-ZETCQYMHSA-N 2 2 229.736 1.196 10 0 BDAELP [NH3+][C@H]1C=C(c2cscc2Cl)C[NH2+]C1 ZINC000675078551 538516650 /nfs/dbraw/zinc/51/66/50/538516650.db2.gz QPWGJFJKQXITLR-ZETCQYMHSA-N 2 2 214.721 1.715 10 0 BDAELP Cc1csc(C)c1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675079073 538517243 /nfs/dbraw/zinc/51/72/43/538517243.db2.gz VQVSYZOXANQNTI-JTQLQIEISA-N 2 2 208.330 1.679 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000397521701 357536953 /nfs/dbraw/zinc/53/69/53/357536953.db2.gz FTRJHAQYPDWNDT-ZIAGYGMSSA-N 2 2 234.343 1.826 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948408 538890902 /nfs/dbraw/zinc/89/09/02/538890902.db2.gz MPFYRNVGFNRMJT-VWYCJHECSA-N 2 2 200.301 1.418 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948408 538890903 /nfs/dbraw/zinc/89/09/03/538890903.db2.gz MPFYRNVGFNRMJT-VWYCJHECSA-N 2 2 200.301 1.418 10 0 BDAELP CCC[NH+](CCC)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948982 538892055 /nfs/dbraw/zinc/89/20/55/538892055.db2.gz ZCZXOBFBZPGXBK-WDEREUQCSA-N 2 2 202.317 1.808 10 0 BDAELP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csnn1 ZINC000398245641 357870158 /nfs/dbraw/zinc/87/01/58/357870158.db2.gz RXWFVXMXYWCQHG-BDAKNGLRSA-N 2 2 226.349 1.188 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H](C[NH3+])C[C@H]1C ZINC000160299623 357972353 /nfs/dbraw/zinc/97/23/53/357972353.db2.gz FUTDVDKJMHYLDJ-NXEZZACHSA-N 2 2 221.304 1.264 10 0 BDAELP CCn1cc[nH+]c1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000231465128 358419623 /nfs/dbraw/zinc/41/96/23/358419623.db2.gz SSWJVDHHWJFTRD-GFCCVEGCSA-N 2 2 236.363 1.477 10 0 BDAELP Cc1cc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc[nH+]1 ZINC000136194993 358867999 /nfs/dbraw/zinc/86/79/99/358867999.db2.gz RZDGPAIFHMVEBL-CYBMUJFWSA-N 2 2 233.315 1.861 10 0 BDAELP C[C@@H]1C[N@H+](C/C=C/Cl)[C@H](C)CC[NH2+]1 ZINC000300343369 358967028 /nfs/dbraw/zinc/96/70/28/358967028.db2.gz LSWLLWDTATUJNE-OTIHIVFHSA-N 2 2 202.729 1.811 10 0 BDAELP C[C@@H]1C[N@@H+](C/C=C/Cl)[C@H](C)CC[NH2+]1 ZINC000300343369 358967031 /nfs/dbraw/zinc/96/70/31/358967031.db2.gz LSWLLWDTATUJNE-OTIHIVFHSA-N 2 2 202.729 1.811 10 0 BDAELP c1cnn([C@@H]2CCCC[C@@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000072746165 359089977 /nfs/dbraw/zinc/08/99/77/359089977.db2.gz XBQCBXKVHWSISY-QWHCGFSZSA-N 2 2 245.330 1.880 10 0 BDAELP CC1(C)CC[C@]1(C[NH3+])[NH+]1CCSCC1 ZINC000306231493 359380675 /nfs/dbraw/zinc/38/06/75/359380675.db2.gz LXJFXSVBWDMRED-LLVKDONJSA-N 2 2 214.378 1.553 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000035787476 359396570 /nfs/dbraw/zinc/39/65/70/359396570.db2.gz DHVNHEYXIXLLNA-MXWKQRLJSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000035787476 359396577 /nfs/dbraw/zinc/39/65/77/359396577.db2.gz DHVNHEYXIXLLNA-MXWKQRLJSA-N 2 2 200.326 1.079 10 0 BDAELP C[C@@H]1CC[NH2+][C@@](C)([C@H]2CC[NH2+]C2)S1 ZINC000306578120 360467383 /nfs/dbraw/zinc/46/73/83/360467383.db2.gz LVYDCKGVRZJPIS-KXUCPTDWSA-N 2 2 200.351 1.427 10 0 BDAELP COc1ccc[nH+]c1N[C@@H](C)CCC[NH3+] ZINC000160377814 361307039 /nfs/dbraw/zinc/30/70/39/361307039.db2.gz CWXDAIQEXAHRRZ-VIFPVBQESA-N 2 2 209.293 1.630 10 0 BDAELP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000155663260 201346083 /nfs/dbraw/zinc/34/60/83/201346083.db2.gz DWEHTNMCPJPMFD-GFCCVEGCSA-N 2 2 212.337 1.097 10 0 BDAELP C[N@H+]1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000155663260 201346087 /nfs/dbraw/zinc/34/60/87/201346087.db2.gz DWEHTNMCPJPMFD-GFCCVEGCSA-N 2 2 212.337 1.097 10 0 BDAELP CO[C@@H]1C[N@H+](CCc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630368088 364085247 /nfs/dbraw/zinc/08/52/47/364085247.db2.gz QGNMQXIMOVUNMS-KBPBESRZSA-N 2 2 249.358 1.062 10 0 BDAELP CO[C@@H]1C[N@@H+](CCc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630368088 364085254 /nfs/dbraw/zinc/08/52/54/364085254.db2.gz QGNMQXIMOVUNMS-KBPBESRZSA-N 2 2 249.358 1.062 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630355751 364077903 /nfs/dbraw/zinc/07/79/03/364077903.db2.gz KIZIYTYRXCUOOD-ZIAGYGMSSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630355751 364077905 /nfs/dbraw/zinc/07/79/05/364077905.db2.gz KIZIYTYRXCUOOD-ZIAGYGMSSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ncccc2C)[C@](C)(C[NH3+])C1 ZINC000630367414 364084809 /nfs/dbraw/zinc/08/48/09/364084809.db2.gz OJNKWHAYSJEYFB-OCCSQVGLSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ncccc2C)[C@](C)(C[NH3+])C1 ZINC000630367414 364084813 /nfs/dbraw/zinc/08/48/13/364084813.db2.gz OJNKWHAYSJEYFB-OCCSQVGLSA-N 2 2 249.358 1.328 10 0 BDAELP Cc1nc(N2CCCCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000630548658 364245342 /nfs/dbraw/zinc/24/53/42/364245342.db2.gz IHLKAAVXNYJOCP-NSHDSACASA-N 2 2 220.320 1.493 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])CN1c1[nH+]c2ccccc2n1C ZINC000630559172 364260573 /nfs/dbraw/zinc/26/05/73/364260573.db2.gz PLVUYYDZVUNAEF-NXEZZACHSA-N 2 2 230.315 1.499 10 0 BDAELP [NH3+]CC1([NH+]2CCC3(CC2)OCCO3)CCCC1 ZINC000028492765 181359883 /nfs/dbraw/zinc/35/98/83/181359883.db2.gz BOKHQFVKOVJTJZ-UHFFFAOYSA-N 2 2 240.347 1.097 10 0 BDAELP C[NH+](C)[C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000037675145 364486890 /nfs/dbraw/zinc/48/68/90/364486890.db2.gz LAWBXEWQWCVIFC-LLVKDONJSA-N 2 2 236.315 1.409 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247238247 364621006 /nfs/dbraw/zinc/62/10/06/364621006.db2.gz MYKYBCDUAIIRGF-OLZOCXBDSA-N 2 2 248.374 1.572 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247238247 364621008 /nfs/dbraw/zinc/62/10/08/364621008.db2.gz MYKYBCDUAIIRGF-OLZOCXBDSA-N 2 2 248.374 1.572 10 0 BDAELP CCc1nc(C[NH2+]CC[C@H](C)[NH3+])cs1 ZINC000336891805 364789740 /nfs/dbraw/zinc/78/97/40/364789740.db2.gz JAAGRQXLYQMSPN-QMMMGPOBSA-N 2 2 213.350 1.532 10 0 BDAELP C[N@H+](C[C@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000675054247 541433707 /nfs/dbraw/zinc/43/37/07/541433707.db2.gz PCHNZLWUOPXODY-ZDUSSCGKSA-N 3 2 239.407 1.402 10 0 BDAELP C[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000675054247 541433711 /nfs/dbraw/zinc/43/37/11/541433711.db2.gz PCHNZLWUOPXODY-ZDUSSCGKSA-N 3 2 239.407 1.402 10 0 BDAELP [NH3+]CCCc1[nH]cc(-c2ccncc2)[nH+]1 ZINC000036874294 181387731 /nfs/dbraw/zinc/38/77/31/181387731.db2.gz SRZBRGHBGGHSBM-UHFFFAOYSA-N 2 2 202.261 1.363 10 0 BDAELP [NH3+]CCCn1c[nH+]cc1-c1ccccc1 ZINC000082655860 181389506 /nfs/dbraw/zinc/38/95/06/181389506.db2.gz UWFZBQUWUJOHHN-UHFFFAOYSA-N 2 2 201.273 1.899 10 0 BDAELP Cc1nc(N[C@@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000383477411 367626280 /nfs/dbraw/zinc/62/62/80/367626280.db2.gz NLEKOURXIIGMFG-ZETCQYMHSA-N 2 2 216.235 1.179 10 0 BDAELP CCn1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000383680156 367648851 /nfs/dbraw/zinc/64/88/51/367648851.db2.gz ONZNRUFCONTDNJ-QJPTWQEYSA-N 2 2 234.347 1.072 10 0 BDAELP CCn1ccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000383680156 367648855 /nfs/dbraw/zinc/64/88/55/367648855.db2.gz ONZNRUFCONTDNJ-QJPTWQEYSA-N 2 2 234.347 1.072 10 0 BDAELP CC(C)n1ncnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386273927 367943502 /nfs/dbraw/zinc/94/35/02/367943502.db2.gz XVYGIYSMFXSZSS-TUAOUCFPSA-N 2 2 249.362 1.028 10 0 BDAELP CC(C)n1ncnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000386273927 367943505 /nfs/dbraw/zinc/94/35/05/367943505.db2.gz XVYGIYSMFXSZSS-TUAOUCFPSA-N 2 2 249.362 1.028 10 0 BDAELP C[C@H]1C[N@@H+]([C@H](C[NH3+])C2CC2)CCS1 ZINC000252978916 368176372 /nfs/dbraw/zinc/17/63/72/368176372.db2.gz FFVNHCJMHCXSPS-WCBMZHEXSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1C[N@H+]([C@H](C[NH3+])C2CC2)CCS1 ZINC000252978916 368176376 /nfs/dbraw/zinc/17/63/76/368176376.db2.gz FFVNHCJMHCXSPS-WCBMZHEXSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CCS[C@]2(CC[NH2+]C[C@H]2C)[NH2+]1 ZINC000253303436 368922945 /nfs/dbraw/zinc/92/29/45/368922945.db2.gz RQEGCTUXWWQDLD-BBBLOLIVSA-N 2 2 200.351 1.427 10 0 BDAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000113267005 370396950 /nfs/dbraw/zinc/39/69/50/370396950.db2.gz IMTDMULNWKJKHN-HNNXBMFYSA-N 2 2 248.370 1.805 10 0 BDAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000113267005 370396955 /nfs/dbraw/zinc/39/69/55/370396955.db2.gz IMTDMULNWKJKHN-HNNXBMFYSA-N 2 2 248.370 1.805 10 0 BDAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC000113266800 370397162 /nfs/dbraw/zinc/39/71/62/370397162.db2.gz GLAQIDKFCYMXLT-HNNXBMFYSA-N 2 2 248.370 1.805 10 0 BDAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccccc2C)C1 ZINC000113266800 370397168 /nfs/dbraw/zinc/39/71/68/370397168.db2.gz GLAQIDKFCYMXLT-HNNXBMFYSA-N 2 2 248.370 1.805 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000389853836 371178301 /nfs/dbraw/zinc/17/83/01/371178301.db2.gz ZJWHCXYBUMTQMD-QCNOEVLYSA-N 2 2 228.405 1.810 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H]2SC)C1 ZINC000389853836 371178305 /nfs/dbraw/zinc/17/83/05/371178305.db2.gz ZJWHCXYBUMTQMD-QCNOEVLYSA-N 2 2 228.405 1.810 10 0 BDAELP Nc1ccc2c(c1)[nH+]cn2CC[NH+]1CCCC1 ZINC000054134051 181731959 /nfs/dbraw/zinc/73/19/59/181731959.db2.gz AQMHBKNDKRGOFD-UHFFFAOYSA-N 2 2 230.315 1.714 10 0 BDAELP C[C@@H]1C[NH+]([C@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000226670182 371719691 /nfs/dbraw/zinc/71/96/91/371719691.db2.gz PAAGCDLZAIHLQW-BBBLOLIVSA-N 2 2 200.351 1.174 10 0 BDAELP CSC(C)(C)C[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000229143440 372122638 /nfs/dbraw/zinc/12/26/38/372122638.db2.gz QSRWKTROOPCONZ-SNVBAGLBSA-N 2 2 216.394 1.812 10 0 BDAELP CSC(C)(C)C[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000229143440 372122641 /nfs/dbraw/zinc/12/26/41/372122641.db2.gz QSRWKTROOPCONZ-SNVBAGLBSA-N 2 2 216.394 1.812 10 0 BDAELP CC(C)(C)[C@@H](C[NH3+])[N@@H+]1CCCC2(C1)OCCO2 ZINC000133695074 372087752 /nfs/dbraw/zinc/08/77/52/372087752.db2.gz GJMWXVUZRLEHKO-LLVKDONJSA-N 2 2 242.363 1.199 10 0 BDAELP CC(C)(C)[C@@H](C[NH3+])[N@H+]1CCCC2(C1)OCCO2 ZINC000133695074 372087757 /nfs/dbraw/zinc/08/77/57/372087757.db2.gz GJMWXVUZRLEHKO-LLVKDONJSA-N 2 2 242.363 1.199 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000631838952 372633271 /nfs/dbraw/zinc/63/32/71/372633271.db2.gz XMJLGPBLNIXCNZ-VHSXEESVSA-N 2 2 223.320 1.264 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000631838952 372633278 /nfs/dbraw/zinc/63/32/78/372633278.db2.gz XMJLGPBLNIXCNZ-VHSXEESVSA-N 2 2 223.320 1.264 10 0 BDAELP Cc1cnc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838847 372634361 /nfs/dbraw/zinc/63/43/61/372634361.db2.gz WCNDVOCWRVKTLT-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1cnc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838847 372634364 /nfs/dbraw/zinc/63/43/64/372634364.db2.gz WCNDVOCWRVKTLT-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP CC(C)c1noc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842105 372641843 /nfs/dbraw/zinc/64/18/43/372641843.db2.gz VMXYRHQEODCUOG-UWVGGRQHSA-N 2 2 238.335 1.220 10 0 BDAELP CC(C)c1noc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842105 372641846 /nfs/dbraw/zinc/64/18/46/372641846.db2.gz VMXYRHQEODCUOG-UWVGGRQHSA-N 2 2 238.335 1.220 10 0 BDAELP Nc1cc[nH+]cc1[C@H]([NH3+])c1ccsc1 ZINC000069844999 373876745 /nfs/dbraw/zinc/87/67/45/373876745.db2.gz IYVSRBCTKNSCIJ-SNVBAGLBSA-N 2 2 205.286 1.773 10 0 BDAELP O[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000049567287 183187650 /nfs/dbraw/zinc/18/76/50/183187650.db2.gz WZOLUHDVUKOTGE-XJFOESAGSA-N 2 2 238.375 1.506 10 0 BDAELP O[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049567287 183187652 /nfs/dbraw/zinc/18/76/52/183187652.db2.gz WZOLUHDVUKOTGE-XJFOESAGSA-N 2 2 238.375 1.506 10 0 BDAELP O[C@H]1CCCC[C@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334329465 183233138 /nfs/dbraw/zinc/23/31/38/183233138.db2.gz NTZORDHZSPHTTB-OLZOCXBDSA-N 2 2 249.358 1.893 10 0 BDAELP CCC[NH+]1CCC([NH+]2CCC([NH2+]C)CC2)CC1 ZINC000049557853 169186466 /nfs/dbraw/zinc/18/64/66/169186466.db2.gz KELFSLYRALJHSJ-UHFFFAOYSA-N 3 2 239.407 1.545 10 0 BDAELP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000098181505 183397943 /nfs/dbraw/zinc/39/79/43/183397943.db2.gz ONQYKAILSLKZLP-KGLIPLIRSA-N 2 2 216.328 1.870 10 0 BDAELP c1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000098181505 183397945 /nfs/dbraw/zinc/39/79/45/183397945.db2.gz ONQYKAILSLKZLP-KGLIPLIRSA-N 2 2 216.328 1.870 10 0 BDAELP CCC[NH2+][C@@H](C)C[N@H+](C)C[C@@H]1CCCO1 ZINC000043966286 169274908 /nfs/dbraw/zinc/27/49/08/169274908.db2.gz PYCBZEFIHSFWHS-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[NH2+][C@@H](C)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966286 169274909 /nfs/dbraw/zinc/27/49/09/169274909.db2.gz PYCBZEFIHSFWHS-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000051783320 169312142 /nfs/dbraw/zinc/31/21/42/169312142.db2.gz NRWCVDDKQACDGF-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CCCO[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000051783320 169312144 /nfs/dbraw/zinc/31/21/44/169312144.db2.gz NRWCVDDKQACDGF-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCOC(C)(C)C1 ZINC000036232728 383888910 /nfs/dbraw/zinc/88/89/10/383888910.db2.gz CYGCDQRYSTWNQD-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1CCOC(C)(C)C1 ZINC000036232728 383888916 /nfs/dbraw/zinc/88/89/16/383888916.db2.gz CYGCDQRYSTWNQD-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP F[C@@H]1C[NH2+]CC[C@H]1c1[nH+]ccc2[nH]ccc21 ZINC000089220696 383948821 /nfs/dbraw/zinc/94/88/21/383948821.db2.gz GPYLMZSBWKILCQ-PSASIEDQSA-N 2 2 219.263 1.978 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(Br)cs1 ZINC000035676957 384089150 /nfs/dbraw/zinc/08/91/50/384089150.db2.gz NIRWEDKDQXTIRK-RXMQYKEDSA-N 2 2 221.123 1.469 10 0 BDAELP C[NH2+][C@H]([NH3+])CCCC(=O)OCc1ccccc1 ZINC000071186631 384154935 /nfs/dbraw/zinc/15/49/35/384154935.db2.gz ZVNBCOZHMBUFBH-LBPRGKRZSA-N 2 2 236.315 1.404 10 0 BDAELP C[N@@H+](Cc1cncs1)C[C@@H]1CC[NH2+]C1 ZINC000095071298 384341513 /nfs/dbraw/zinc/34/15/13/384341513.db2.gz DQVWQIWRUAJHLN-SECBINFHSA-N 2 2 211.334 1.184 10 0 BDAELP C[N@H+](Cc1cncs1)C[C@@H]1CC[NH2+]C1 ZINC000095071298 384341519 /nfs/dbraw/zinc/34/15/19/384341519.db2.gz DQVWQIWRUAJHLN-SECBINFHSA-N 2 2 211.334 1.184 10 0 BDAELP [NH3+]C[C@H]1CCC[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072561 384343469 /nfs/dbraw/zinc/34/34/69/384343469.db2.gz JLPVUXBVGNMCNG-SECBINFHSA-N 2 2 240.738 1.301 10 0 BDAELP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072561 384343471 /nfs/dbraw/zinc/34/34/71/384343471.db2.gz JLPVUXBVGNMCNG-SECBINFHSA-N 2 2 240.738 1.301 10 0 BDAELP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1cncs1 ZINC000095072300 384343689 /nfs/dbraw/zinc/34/36/89/384343689.db2.gz LHGLULYPUPRVBK-UWVGGRQHSA-N 2 2 211.334 1.503 10 0 BDAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000335644701 384419184 /nfs/dbraw/zinc/41/91/84/384419184.db2.gz YBJTUMQHUUOVKP-ZWNOBZJWSA-N 2 2 220.316 1.622 10 0 BDAELP Cc1ccc([C@@H]([NH3+])C[NH3+])cc1Br ZINC000072201226 384816229 /nfs/dbraw/zinc/81/62/29/384816229.db2.gz HYDHBEFUAXBBRX-VIFPVBQESA-N 2 2 229.121 1.716 10 0 BDAELP C[C@@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000307331282 384990945 /nfs/dbraw/zinc/99/09/45/384990945.db2.gz OUQTXTGZWHSVPA-JSGCOSHPSA-N 2 2 234.343 1.543 10 0 BDAELP C[C@H]1C[N@H+](C[C@H]2CCC[NH2+]2)CCS1 ZINC000227650517 385181528 /nfs/dbraw/zinc/18/15/28/385181528.db2.gz JWAXJKKMZIMNOM-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)CCS1 ZINC000227650517 385181535 /nfs/dbraw/zinc/18/15/35/385181535.db2.gz JWAXJKKMZIMNOM-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000044469922 385310303 /nfs/dbraw/zinc/31/03/03/385310303.db2.gz VZBYMKAPTGANCR-QMMMGPOBSA-N 2 2 205.088 1.952 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000414539784 385706575 /nfs/dbraw/zinc/70/65/75/385706575.db2.gz FAVBIVIDOHZLCN-CYBMUJFWSA-N 2 2 244.342 1.747 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000414539784 385706582 /nfs/dbraw/zinc/70/65/82/385706582.db2.gz FAVBIVIDOHZLCN-CYBMUJFWSA-N 2 2 244.342 1.747 10 0 BDAELP c1c[nH+]c(N2CCCC2)c(O[C@H]2CC[NH2+]C2)c1 ZINC000216638617 385869713 /nfs/dbraw/zinc/86/97/13/385869713.db2.gz JJXSETYGAHGFNR-NSHDSACASA-N 2 2 233.315 1.423 10 0 BDAELP CCc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000272811168 385938056 /nfs/dbraw/zinc/93/80/56/385938056.db2.gz CKWHEHOIPOYYEE-MFKMUULPSA-N 2 2 248.374 1.734 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC1(C)C ZINC000575591608 386339693 /nfs/dbraw/zinc/33/96/93/386339693.db2.gz PWOXKGMNCTVYAU-DTWKUNHWSA-N 2 2 200.351 1.174 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@H+]1CCC1(C)C ZINC000575591608 386339694 /nfs/dbraw/zinc/33/96/94/386339694.db2.gz PWOXKGMNCTVYAU-DTWKUNHWSA-N 2 2 200.351 1.174 10 0 BDAELP CS[C@H]1C[NH2+]C[C@H]1[N@@H+]1CCC1(C)C ZINC000575591607 386337954 /nfs/dbraw/zinc/33/79/54/386337954.db2.gz PWOXKGMNCTVYAU-BDAKNGLRSA-N 2 2 200.351 1.174 10 0 BDAELP CS[C@H]1C[NH2+]C[C@H]1[N@H+]1CCC1(C)C ZINC000575591607 386337960 /nfs/dbraw/zinc/33/79/60/386337960.db2.gz PWOXKGMNCTVYAU-BDAKNGLRSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1C[C@H]2C[NH2+]C[C@H]2[N@@H+]1Cc1ccccc1 ZINC000238855027 386536694 /nfs/dbraw/zinc/53/66/94/386536694.db2.gz QEZGAANBMURYQX-KWCYVHTRSA-N 2 2 216.328 1.869 10 0 BDAELP C[C@@H]1C[C@H]2C[NH2+]C[C@H]2[N@H+]1Cc1ccccc1 ZINC000238855027 386536697 /nfs/dbraw/zinc/53/66/97/386536697.db2.gz QEZGAANBMURYQX-KWCYVHTRSA-N 2 2 216.328 1.869 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136207518 386571987 /nfs/dbraw/zinc/57/19/87/386571987.db2.gz QZCCUEKGJKGBEP-CYBMUJFWSA-N 2 2 233.315 1.861 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000044471274 386778204 /nfs/dbraw/zinc/77/82/04/386778204.db2.gz SRWAUGRZCSZKCN-MRVPVSSYSA-N 2 2 233.084 1.547 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CSCC[NH2+]2)[C@@H]1C ZINC000575591903 387216799 /nfs/dbraw/zinc/21/67/99/387216799.db2.gz MYWUBQAOEVEMIO-OPRDCNLKSA-N 2 2 200.351 1.032 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CSCC[NH2+]2)[C@@H]1C ZINC000575591903 387216803 /nfs/dbraw/zinc/21/68/03/387216803.db2.gz MYWUBQAOEVEMIO-OPRDCNLKSA-N 2 2 200.351 1.032 10 0 BDAELP C/C(=C\Cl)C[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC000575484523 387200172 /nfs/dbraw/zinc/20/01/72/387200172.db2.gz YQUTWMCKWNAYNY-AIYFBYTFSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC000575484523 387200176 /nfs/dbraw/zinc/20/01/76/387200176.db2.gz YQUTWMCKWNAYNY-AIYFBYTFSA-N 2 2 202.729 1.941 10 0 BDAELP C[C@@H]1CCS[C@]2(CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000575512944 387385022 /nfs/dbraw/zinc/38/50/22/387385022.db2.gz VWDIYHPDRIHIQS-BBBLOLIVSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]2C[NH3+])CS1 ZINC000575514060 387388240 /nfs/dbraw/zinc/38/82/40/387388240.db2.gz IQXHJDBYPGVOKN-KXUCPTDWSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]2C[NH3+])CS1 ZINC000575514060 387388242 /nfs/dbraw/zinc/38/82/42/387388242.db2.gz IQXHJDBYPGVOKN-KXUCPTDWSA-N 2 2 200.351 1.304 10 0 BDAELP Fc1cccc(F)c1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000422698191 387612875 /nfs/dbraw/zinc/61/28/75/387612875.db2.gz XYKWDFMDBNXVCV-VIFPVBQESA-N 2 2 226.270 1.459 10 0 BDAELP FC(F)(F)CSCC[NH2+][C@H]1CC[NH2+]C1 ZINC000423012634 387837004 /nfs/dbraw/zinc/83/70/04/387837004.db2.gz DIFVLONEKSRTRL-ZETCQYMHSA-N 2 2 228.283 1.233 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083550719 388055209 /nfs/dbraw/zinc/05/52/09/388055209.db2.gz NFVFNAIXKHFLJT-VXGBXAGGSA-N 2 2 234.347 1.089 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083550719 388055210 /nfs/dbraw/zinc/05/52/10/388055210.db2.gz NFVFNAIXKHFLJT-VXGBXAGGSA-N 2 2 234.347 1.089 10 0 BDAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324628841 388122601 /nfs/dbraw/zinc/12/26/01/388122601.db2.gz SFCWPFONDBHEBA-QWRGUYRKSA-N 2 2 214.353 1.077 10 0 BDAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324628841 388122602 /nfs/dbraw/zinc/12/26/02/388122602.db2.gz SFCWPFONDBHEBA-QWRGUYRKSA-N 2 2 214.353 1.077 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000397524389 388476174 /nfs/dbraw/zinc/47/61/74/388476174.db2.gz MNTJQNDGJJCCOR-AAEUAGOBSA-N 2 2 247.342 1.189 10 0 BDAELP CC[C@@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000039783778 388410730 /nfs/dbraw/zinc/41/07/30/388410730.db2.gz QASIPMMEWRXHPG-GFCCVEGCSA-N 2 2 207.321 1.293 10 0 BDAELP CC[C@@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000039783778 388410732 /nfs/dbraw/zinc/41/07/32/388410732.db2.gz QASIPMMEWRXHPG-GFCCVEGCSA-N 2 2 207.321 1.293 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000379291031 388605856 /nfs/dbraw/zinc/60/58/56/388605856.db2.gz JWVUDTRDXLWWSK-AGIUHOORSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)C1 ZINC000379291031 388605859 /nfs/dbraw/zinc/60/58/59/388605859.db2.gz JWVUDTRDXLWWSK-AGIUHOORSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248216886 388675682 /nfs/dbraw/zinc/67/56/82/388675682.db2.gz ZUMZNERZAAGHTC-UPJWGTAASA-N 2 2 228.380 1.730 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248216886 388675684 /nfs/dbraw/zinc/67/56/84/388675684.db2.gz ZUMZNERZAAGHTC-UPJWGTAASA-N 2 2 228.380 1.730 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000248571901 388684692 /nfs/dbraw/zinc/68/46/92/388684692.db2.gz MQVGOUVMEXLWSO-RYUDHWBXSA-N 2 2 214.353 1.343 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000248571901 388684693 /nfs/dbraw/zinc/68/46/93/388684693.db2.gz MQVGOUVMEXLWSO-RYUDHWBXSA-N 2 2 214.353 1.343 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000328459129 388643963 /nfs/dbraw/zinc/64/39/63/388643963.db2.gz GNSMTAFLVXGFIF-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000328459129 388643965 /nfs/dbraw/zinc/64/39/65/388643965.db2.gz GNSMTAFLVXGFIF-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1C[Si](C)(C)C ZINC000575455488 388775470 /nfs/dbraw/zinc/77/54/70/388775470.db2.gz JPQCVHFKDRISPQ-NXEZZACHSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1C[Si](C)(C)C ZINC000575455488 388775475 /nfs/dbraw/zinc/77/54/75/388775475.db2.gz JPQCVHFKDRISPQ-NXEZZACHSA-N 2 2 200.402 1.675 10 0 BDAELP Cc1c(C[NH2+]CCCCn2cc[nH+]c2)cnn1C ZINC000093650210 388846161 /nfs/dbraw/zinc/84/61/61/388846161.db2.gz ATWWUYOXMRYXSE-UHFFFAOYSA-N 2 2 247.346 1.495 10 0 BDAELP C[C@@H]1C[C@]2(CC[NH2+]1)[NH2+]CC[C@H](C)S2 ZINC000575512593 389011317 /nfs/dbraw/zinc/01/13/17/389011317.db2.gz RCFVRQYTEYCYGZ-KXUCPTDWSA-N 2 2 200.351 1.570 10 0 BDAELP C[NH+](C)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000082713136 132310535 /nfs/dbraw/zinc/31/05/35/132310535.db2.gz OSFBVZRYZATPII-UHFFFAOYSA-N 2 2 219.332 1.504 10 0 BDAELP CC[C@H]([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000036871959 132342717 /nfs/dbraw/zinc/34/27/17/132342717.db2.gz YWRLRYHFMCBZSP-ZDUSSCGKSA-N 2 2 233.359 1.546 10 0 BDAELP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cccc[nH+]1 ZINC000053704260 132363109 /nfs/dbraw/zinc/36/31/09/132363109.db2.gz UATXMXIETOYYOF-MNOVXSKESA-N 2 2 205.305 1.645 10 0 BDAELP Cc1nccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000222228696 134330894 /nfs/dbraw/zinc/33/08/94/134330894.db2.gz DXWBJGJNMXZQAV-JQWIXIFHSA-N 2 2 234.347 1.357 10 0 BDAELP Cc1nccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000222228696 134330895 /nfs/dbraw/zinc/33/08/95/134330895.db2.gz DXWBJGJNMXZQAV-JQWIXIFHSA-N 2 2 234.347 1.357 10 0 BDAELP Cc1nc(N(C)CC[C@@H]([NH3+])C(C)C)cc[nH+]1 ZINC000227739108 134386019 /nfs/dbraw/zinc/38/60/19/134386019.db2.gz NOFFIVWPTSFGTM-LLVKDONJSA-N 2 2 222.336 1.595 10 0 BDAELP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248431670 135008994 /nfs/dbraw/zinc/00/89/94/135008994.db2.gz QCJBXJXAGBBHFX-STQMWFEESA-N 2 2 249.358 1.850 10 0 BDAELP CO[C@@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248431670 135008996 /nfs/dbraw/zinc/00/89/96/135008996.db2.gz QCJBXJXAGBBHFX-STQMWFEESA-N 2 2 249.358 1.850 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000250328416 135051579 /nfs/dbraw/zinc/05/15/79/135051579.db2.gz OCYMUQHSTWZVBH-AGIUHOORSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000250328416 135051582 /nfs/dbraw/zinc/05/15/82/135051582.db2.gz OCYMUQHSTWZVBH-AGIUHOORSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1CC[N@H+](CCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000261536417 135108472 /nfs/dbraw/zinc/10/84/72/135108472.db2.gz RPTIFGVAPJKDJJ-BDAKNGLRSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@@H]1CC[N@@H+](CCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000261536417 135108473 /nfs/dbraw/zinc/10/84/73/135108473.db2.gz RPTIFGVAPJKDJJ-BDAKNGLRSA-N 2 2 224.270 1.998 10 0 BDAELP Cc1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000261536962 135172865 /nfs/dbraw/zinc/17/28/65/135172865.db2.gz UJVRPCGBKHFRHB-SCZZXKLOSA-N 2 2 225.361 1.681 10 0 BDAELP Cc1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)s1 ZINC000261536962 135172866 /nfs/dbraw/zinc/17/28/66/135172866.db2.gz UJVRPCGBKHFRHB-SCZZXKLOSA-N 2 2 225.361 1.681 10 0 BDAELP C[C@H]1CC[N@H+](CCc2cccnc2)[C@H](C[NH3+])C1 ZINC000261539586 135177995 /nfs/dbraw/zinc/17/79/95/135177995.db2.gz AGUUBDXQWFNPST-JSGCOSHPSA-N 2 2 233.359 1.683 10 0 BDAELP C[C@H]1CC[N@@H+](CCc2cccnc2)[C@H](C[NH3+])C1 ZINC000261539586 135177996 /nfs/dbraw/zinc/17/79/96/135177996.db2.gz AGUUBDXQWFNPST-JSGCOSHPSA-N 2 2 233.359 1.683 10 0 BDAELP C[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261540690 135179763 /nfs/dbraw/zinc/17/97/63/135179763.db2.gz HGFRWBGLUTWVEQ-AAEUAGOBSA-N 2 2 236.363 1.022 10 0 BDAELP C[C@H]1CC[N@@H+](CCc2cnn(C)c2)[C@H](C[NH3+])C1 ZINC000261540690 135179764 /nfs/dbraw/zinc/17/97/64/135179764.db2.gz HGFRWBGLUTWVEQ-AAEUAGOBSA-N 2 2 236.363 1.022 10 0 BDAELP Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cn1 ZINC000261542847 135183384 /nfs/dbraw/zinc/18/33/84/135183384.db2.gz QRJBLLBUFWXXEQ-FZMZJTMJSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cn1 ZINC000261542847 135183385 /nfs/dbraw/zinc/18/33/85/135183385.db2.gz QRJBLLBUFWXXEQ-FZMZJTMJSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000261551479 135190716 /nfs/dbraw/zinc/19/07/16/135190716.db2.gz VPLUAHCSUDFXOC-PWSUYJOCSA-N 2 2 249.358 1.655 10 0 BDAELP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])n1 ZINC000261551479 135190717 /nfs/dbraw/zinc/19/07/17/135190717.db2.gz VPLUAHCSUDFXOC-PWSUYJOCSA-N 2 2 249.358 1.655 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261552676 135192173 /nfs/dbraw/zinc/19/21/73/135192173.db2.gz NELSVRCROAVNAI-AAEUAGOBSA-N 2 2 235.306 1.405 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261552676 135192175 /nfs/dbraw/zinc/19/21/75/135192175.db2.gz NELSVRCROAVNAI-AAEUAGOBSA-N 2 2 235.306 1.405 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000335297618 136007096 /nfs/dbraw/zinc/00/70/96/136007096.db2.gz GPICAUBCKZZGNS-QWRGUYRKSA-N 2 2 222.336 1.386 10 0 BDAELP CC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151103958 397734984 /nfs/dbraw/zinc/73/49/84/397734984.db2.gz PIGTWTSQBYTPTC-CHWSQXEVSA-N 2 2 249.358 1.586 10 0 BDAELP CC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151103958 397734985 /nfs/dbraw/zinc/73/49/85/397734985.db2.gz PIGTWTSQBYTPTC-CHWSQXEVSA-N 2 2 249.358 1.586 10 0 BDAELP CC[C@H]([NH3+])C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223460197 398127514 /nfs/dbraw/zinc/12/75/14/398127514.db2.gz YPWIAEINWYWKLM-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H]([NH3+])C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223460197 398127516 /nfs/dbraw/zinc/12/75/16/398127516.db2.gz YPWIAEINWYWKLM-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP CC(C)[N@H+]1C[C@H](NCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000154073953 167033556 /nfs/dbraw/zinc/03/35/56/167033556.db2.gz SVQIYOXFMGFNIH-QWRGUYRKSA-N 2 2 222.336 1.228 10 0 BDAELP CC(C)[N@@H+]1C[C@H](NCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000154073953 167033558 /nfs/dbraw/zinc/03/35/58/167033558.db2.gz SVQIYOXFMGFNIH-QWRGUYRKSA-N 2 2 222.336 1.228 10 0 BDAELP CC(C)[NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000309676646 167115611 /nfs/dbraw/zinc/11/56/11/167115611.db2.gz LXRPJUVZDHINDX-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000026443108 167140887 /nfs/dbraw/zinc/14/08/87/167140887.db2.gz STGFCDLAXCCJKK-KGLIPLIRSA-N 2 2 240.391 1.875 10 0 BDAELP C[NH2+]C[C@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000128307388 410229585 /nfs/dbraw/zinc/22/95/85/410229585.db2.gz WJAUNRBRUJBYPV-LLVKDONJSA-N 2 2 235.331 1.526 10 0 BDAELP COc1ccc[nH+]c1N1CCC([C@H](C)[NH3+])CC1 ZINC000127511564 410333227 /nfs/dbraw/zinc/33/32/27/410333227.db2.gz GYDAXHGRDXZZBY-JTQLQIEISA-N 2 2 235.331 1.654 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCOC[C@H]1C ZINC000051216771 167002960 /nfs/dbraw/zinc/00/29/60/167002960.db2.gz PXQAIINAKZMBTB-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCOC[C@H]1C ZINC000051216771 167002964 /nfs/dbraw/zinc/00/29/64/167002964.db2.gz PXQAIINAKZMBTB-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]C[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000062325210 167004467 /nfs/dbraw/zinc/00/44/67/167004467.db2.gz JNWCEBUECMWITG-GFCCVEGCSA-N 2 2 236.363 1.333 10 0 BDAELP CC(C)[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096063652 167031502 /nfs/dbraw/zinc/03/15/02/167031502.db2.gz SLLLGOZYQHKGAX-OKILXGFUSA-N 2 2 245.370 1.854 10 0 BDAELP CC(C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC000096063652 167031504 /nfs/dbraw/zinc/03/15/04/167031504.db2.gz SLLLGOZYQHKGAX-OKILXGFUSA-N 2 2 245.370 1.854 10 0 BDAELP CC(C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096063652 167031507 /nfs/dbraw/zinc/03/15/07/167031507.db2.gz SLLLGOZYQHKGAX-OKILXGFUSA-N 2 2 245.370 1.854 10 0 BDAELP CC(C)[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC000096063652 167031511 /nfs/dbraw/zinc/03/15/11/167031511.db2.gz SLLLGOZYQHKGAX-OKILXGFUSA-N 2 2 245.370 1.854 10 0 BDAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931203 167032974 /nfs/dbraw/zinc/03/29/74/167032974.db2.gz FJRXQUXPICMBKK-YVECIDJPSA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931203 167032975 /nfs/dbraw/zinc/03/29/75/167032975.db2.gz FJRXQUXPICMBKK-YVECIDJPSA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[NH2+]CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000042691179 167101838 /nfs/dbraw/zinc/10/18/38/167101838.db2.gz MOMYKKUXPPXQCA-UHFFFAOYSA-N 3 2 224.352 1.203 10 0 BDAELP CC(C)[NH2+]CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000042691179 167101844 /nfs/dbraw/zinc/10/18/44/167101844.db2.gz MOMYKKUXPPXQCA-UHFFFAOYSA-N 3 2 224.352 1.203 10 0 BDAELP CC(C)[NH2+]CCN(C)CCCn1cc[nH+]c1 ZINC000042691179 167101847 /nfs/dbraw/zinc/10/18/47/167101847.db2.gz MOMYKKUXPPXQCA-UHFFFAOYSA-N 2 2 224.352 1.203 10 0 BDAELP COc1ccc[nH+]c1NC[C@]1(C)CCC[NH2+]C1 ZINC000129374153 411268078 /nfs/dbraw/zinc/26/80/78/411268078.db2.gz ZYIJOYIQAOLJMY-CYBMUJFWSA-N 2 2 235.331 1.892 10 0 BDAELP C[C@@]([NH3+])(C[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000037479286 167957183 /nfs/dbraw/zinc/95/71/83/167957183.db2.gz VMXUDTVGAWLNKF-GFCCVEGCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@]([NH3+])(C[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000037479286 167957185 /nfs/dbraw/zinc/95/71/85/167957185.db2.gz VMXUDTVGAWLNKF-GFCCVEGCSA-N 2 2 212.337 1.225 10 0 BDAELP c1[nH+]c2n(c1C[NH2+]CC[C@@H]1CCCO1)CCC2 ZINC000657304647 411456866 /nfs/dbraw/zinc/45/68/66/411456866.db2.gz QANCZKCHCMEJPV-LBPRGKRZSA-N 2 2 235.331 1.488 10 0 BDAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2CO)n1C ZINC000657369900 411483619 /nfs/dbraw/zinc/48/36/19/411483619.db2.gz IPCYSOTURYEMKN-DGCLKSJQSA-N 2 2 237.347 1.369 10 0 BDAELP O[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657327149 411465940 /nfs/dbraw/zinc/46/59/40/411465940.db2.gz UUIYHQGQBVTJPK-ZYHUDNBSSA-N 2 2 235.331 1.222 10 0 BDAELP CC[N@@H+]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000054935895 170010745 /nfs/dbraw/zinc/01/07/45/170010745.db2.gz NALMKAFYXFQFLF-NSHDSACASA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@H+]1CC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000054935895 170010746 /nfs/dbraw/zinc/01/07/46/170010746.db2.gz NALMKAFYXFQFLF-NSHDSACASA-N 2 2 220.320 1.539 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328219991 170012422 /nfs/dbraw/zinc/01/24/22/170012422.db2.gz YDKCLSITISTFDM-GFCCVEGCSA-N 2 2 226.364 1.629 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)C1 ZINC000328219991 170012423 /nfs/dbraw/zinc/01/24/23/170012423.db2.gz YDKCLSITISTFDM-GFCCVEGCSA-N 2 2 226.364 1.629 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000328469961 170014347 /nfs/dbraw/zinc/01/43/47/170014347.db2.gz KWSMHZRLNHOPIS-YPMHNXCESA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000328469961 170014348 /nfs/dbraw/zinc/01/43/48/170014348.db2.gz KWSMHZRLNHOPIS-YPMHNXCESA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000336781206 170032259 /nfs/dbraw/zinc/03/22/59/170032259.db2.gz UBWADSKARBNFQO-DGCLKSJQSA-N 2 2 221.348 1.455 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000336781206 170032260 /nfs/dbraw/zinc/03/22/60/170032260.db2.gz UBWADSKARBNFQO-DGCLKSJQSA-N 2 2 221.348 1.455 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCSCC2)C1 ZINC000336773366 170036632 /nfs/dbraw/zinc/03/66/32/170036632.db2.gz YOVWBIYHLOKCJX-CMPLNLGQSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCSCC2)C1 ZINC000336773366 170036633 /nfs/dbraw/zinc/03/66/33/170036633.db2.gz YOVWBIYHLOKCJX-CMPLNLGQSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000336758798 170039289 /nfs/dbraw/zinc/03/92/89/170039289.db2.gz JXNQVIAOLGJVNU-YFKTTZPYSA-N 2 2 228.405 1.668 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CSC[C@@H]2C)C1 ZINC000336758798 170039290 /nfs/dbraw/zinc/03/92/90/170039290.db2.gz JXNQVIAOLGJVNU-YFKTTZPYSA-N 2 2 228.405 1.668 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000336778760 170039356 /nfs/dbraw/zinc/03/93/56/170039356.db2.gz MFSSFAHPOFQMHH-ZDEQEGDKSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@@H]2C)C1 ZINC000336778760 170039357 /nfs/dbraw/zinc/03/93/57/170039357.db2.gz MFSSFAHPOFQMHH-ZDEQEGDKSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000336758446 170039438 /nfs/dbraw/zinc/03/94/38/170039438.db2.gz JXNQVIAOLGJVNU-NNYUYHANSA-N 2 2 228.405 1.668 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CSC[C@@H]2C)C1 ZINC000336758446 170039439 /nfs/dbraw/zinc/03/94/39/170039439.db2.gz JXNQVIAOLGJVNU-NNYUYHANSA-N 2 2 228.405 1.668 10 0 BDAELP CC[NH2+]CCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942472 170112648 /nfs/dbraw/zinc/11/26/48/170112648.db2.gz QMJFQMNBNOWQKW-CQSZACIVSA-N 3 2 239.407 1.546 10 0 BDAELP CC[NH2+]CCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942472 170112649 /nfs/dbraw/zinc/11/26/49/170112649.db2.gz QMJFQMNBNOWQKW-CQSZACIVSA-N 3 2 239.407 1.546 10 0 BDAELP CC[NH2+]CCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942472 170112650 /nfs/dbraw/zinc/11/26/50/170112650.db2.gz QMJFQMNBNOWQKW-CQSZACIVSA-N 3 2 239.407 1.546 10 0 BDAELP CC[NH2+]CCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942472 170112651 /nfs/dbraw/zinc/11/26/51/170112651.db2.gz QMJFQMNBNOWQKW-CQSZACIVSA-N 3 2 239.407 1.546 10 0 BDAELP CC[NH2+]C[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061935562 170121962 /nfs/dbraw/zinc/12/19/62/170121962.db2.gz WIFVWYMVCIMFIM-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+]C[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061935562 170121963 /nfs/dbraw/zinc/12/19/63/170121963.db2.gz WIFVWYMVCIMFIM-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@H]1C[N@@H+]1CCOC[C@@H]1C ZINC000053858144 170150652 /nfs/dbraw/zinc/15/06/52/170150652.db2.gz ROELUMVACSOCBO-MELADBBJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@H]1C[N@H+]1CCOC[C@@H]1C ZINC000053858144 170150653 /nfs/dbraw/zinc/15/06/53/170150653.db2.gz ROELUMVACSOCBO-MELADBBJSA-N 2 2 240.391 1.875 10 0 BDAELP CCOC(=O)[C@H](C)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000049369749 170268068 /nfs/dbraw/zinc/26/80/68/170268068.db2.gz QWHNIIMPCWPRKV-MNOVXSKESA-N 2 2 242.363 1.258 10 0 BDAELP CCOC1CC[NH+]([C@H]2CCCC[NH2+]C2)CC1 ZINC000054135172 170332025 /nfs/dbraw/zinc/33/20/25/170332025.db2.gz XPDARNCKNGQUNI-LBPRGKRZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[C@@H]1CN(CCCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000083364152 171082139 /nfs/dbraw/zinc/08/21/39/171082139.db2.gz LAWBPZMTGAJXGA-CHWSQXEVSA-N 2 2 236.363 1.346 10 0 BDAELP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593554 171082880 /nfs/dbraw/zinc/08/28/80/171082880.db2.gz AEFHEVYEMXVCOD-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593554 171082881 /nfs/dbraw/zinc/08/28/81/171082881.db2.gz AEFHEVYEMXVCOD-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCCCC1 ZINC000036325981 171105343 /nfs/dbraw/zinc/10/53/43/171105343.db2.gz PHTVPTLMJRMWDV-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@@H]1COCC[N@H+]1C1(C[NH3+])CCCCC1 ZINC000036325981 171105347 /nfs/dbraw/zinc/10/53/47/171105347.db2.gz PHTVPTLMJRMWDV-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1C[C@](C)([NH3+])C1CC1 ZINC000037479292 171105407 /nfs/dbraw/zinc/10/54/07/171105407.db2.gz KJBLXEWXBXNZGG-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@@H]1COCC[N@H+]1C[C@](C)([NH3+])C1CC1 ZINC000037479292 171105408 /nfs/dbraw/zinc/10/54/08/171105408.db2.gz KJBLXEWXBXNZGG-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@H](C)[C@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232194 171392138 /nfs/dbraw/zinc/39/21/38/171392138.db2.gz XGFRERHMUAHABB-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@H](C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232194 171392140 /nfs/dbraw/zinc/39/21/40/171392140.db2.gz XGFRERHMUAHABB-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H](CCF)C2)no1 ZINC000662312266 412092847 /nfs/dbraw/zinc/09/28/47/412092847.db2.gz XZCYABXVZMGNHA-VIFPVBQESA-N 2 2 242.298 1.100 10 0 BDAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H](CCF)C2)no1 ZINC000662312266 412092851 /nfs/dbraw/zinc/09/28/51/412092851.db2.gz XZCYABXVZMGNHA-VIFPVBQESA-N 2 2 242.298 1.100 10 0 BDAELP CCc1[nH+]c2ccccc2n1C[C@@H](O)C[NH2+]C ZINC000062807648 172014409 /nfs/dbraw/zinc/01/44/09/172014409.db2.gz HRQGWTIFLLRDPN-JTQLQIEISA-N 2 2 233.315 1.179 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOC)C1 ZINC000105897092 172029084 /nfs/dbraw/zinc/02/90/84/172029084.db2.gz MGSMNAMIXDWZQB-GFCCVEGCSA-N 2 2 237.347 1.729 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000105897092 172029086 /nfs/dbraw/zinc/02/90/86/172029086.db2.gz MGSMNAMIXDWZQB-GFCCVEGCSA-N 2 2 237.347 1.729 10 0 BDAELP CCn1cc([C@@H](C)[NH+]2CCC([NH3+])CC2)cn1 ZINC000044500873 172193008 /nfs/dbraw/zinc/19/30/08/172193008.db2.gz FCTRTSWFMDZRLA-SNVBAGLBSA-N 2 2 222.336 1.387 10 0 BDAELP CCn1cccc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000091025264 172209111 /nfs/dbraw/zinc/20/91/11/172209111.db2.gz WKAWLZWJNWHATQ-LBPRGKRZSA-N 2 2 232.331 1.883 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000054239849 173004253 /nfs/dbraw/zinc/00/42/53/173004253.db2.gz DYADKOGVCSBPHK-OTTFEQOBSA-N 2 2 226.364 1.364 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000054239849 173004255 /nfs/dbraw/zinc/00/42/55/173004255.db2.gz DYADKOGVCSBPHK-OTTFEQOBSA-N 2 2 226.364 1.364 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CC1CCOCC1 ZINC000052172569 173010621 /nfs/dbraw/zinc/01/06/21/173010621.db2.gz CRPOROUUUGILQN-ZDUSSCGKSA-N 2 2 226.364 1.487 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]CC1CCOCC1 ZINC000052172569 173010624 /nfs/dbraw/zinc/01/06/24/173010624.db2.gz CRPOROUUUGILQN-ZDUSSCGKSA-N 2 2 226.364 1.487 10 0 BDAELP CN(C)c1ccc(N[C@@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000061985454 173126343 /nfs/dbraw/zinc/12/63/43/173126343.db2.gz LXQYHEDGKRADLB-LLVKDONJSA-N 2 2 220.320 1.264 10 0 BDAELP CN(C)c1ccc(N[C@@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000061985454 173126345 /nfs/dbraw/zinc/12/63/45/173126345.db2.gz LXQYHEDGKRADLB-LLVKDONJSA-N 2 2 220.320 1.264 10 0 BDAELP C[N@H+]1Cc2cc(Cl)ccc2[C@@H](C[NH3+])C1 ZINC000057496434 173199010 /nfs/dbraw/zinc/19/90/10/173199010.db2.gz CJPDTBOSQCVPNH-VIFPVBQESA-N 2 2 210.708 1.828 10 0 BDAELP C[N@@H+]1Cc2cc(Cl)ccc2[C@@H](C[NH3+])C1 ZINC000057496434 173199012 /nfs/dbraw/zinc/19/90/12/173199012.db2.gz CJPDTBOSQCVPNH-VIFPVBQESA-N 2 2 210.708 1.828 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc2nc(C)oc2c1 ZINC000077418229 173353083 /nfs/dbraw/zinc/35/30/83/173353083.db2.gz BJGGGUIGTQXBSU-UHFFFAOYSA-N 2 2 247.342 1.830 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc2nc(C)oc2c1 ZINC000077418229 173353084 /nfs/dbraw/zinc/35/30/84/173353084.db2.gz BJGGGUIGTQXBSU-UHFFFAOYSA-N 2 2 247.342 1.830 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000238857277 173368091 /nfs/dbraw/zinc/36/80/91/173368091.db2.gz YOCQJDXLPANCBZ-CMPLNLGQSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000238857277 173368093 /nfs/dbraw/zinc/36/80/93/173368093.db2.gz YOCQJDXLPANCBZ-CMPLNLGQSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CC[N@H+](CCCCn2cc[nH+]c2)C1 ZINC000053034310 173380892 /nfs/dbraw/zinc/38/08/92/173380892.db2.gz ZSOAMYDYZXSHPN-CYBMUJFWSA-N 3 2 236.363 1.205 10 0 BDAELP C[NH2+]Cc1nc(C[N@@H+]2CCCOCC2)cs1 ZINC000061936198 173395438 /nfs/dbraw/zinc/39/54/38/173395438.db2.gz JGASJDAGLUUIJA-UHFFFAOYSA-N 2 2 241.360 1.085 10 0 BDAELP C[NH2+]Cc1nc(C[N@H+]2CCCOCC2)cs1 ZINC000061936198 173395440 /nfs/dbraw/zinc/39/54/40/173395440.db2.gz JGASJDAGLUUIJA-UHFFFAOYSA-N 2 2 241.360 1.085 10 0 BDAELP C[NH2+]Cc1occc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382425 173399819 /nfs/dbraw/zinc/39/98/19/173399819.db2.gz CMDPLPYXCWDFPW-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1occc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382425 173399821 /nfs/dbraw/zinc/39/98/21/173399821.db2.gz CMDPLPYXCWDFPW-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP COC1CC[NH+]([C@@H](C[NH3+])c2ccccc2)CC1 ZINC000037265793 174030918 /nfs/dbraw/zinc/03/09/18/174030918.db2.gz XREXUOHJXINYTI-AWEZNQCLSA-N 2 2 234.343 1.797 10 0 BDAELP COCC[N@H+](C)[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915068 174283439 /nfs/dbraw/zinc/28/34/39/174283439.db2.gz DZIWEKMVLCZCQO-GWCFXTLKSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915068 174283441 /nfs/dbraw/zinc/28/34/41/174283441.db2.gz DZIWEKMVLCZCQO-GWCFXTLKSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@H+](CC[NH3+])Cc1ccc(OC)cc1 ZINC000032090306 174292512 /nfs/dbraw/zinc/29/25/12/174292512.db2.gz MVAQHRFRKPHWFD-UHFFFAOYSA-N 2 2 238.331 1.102 10 0 BDAELP COCC[N@@H+](CC[NH3+])Cc1ccc(OC)cc1 ZINC000032090306 174292515 /nfs/dbraw/zinc/29/25/15/174292515.db2.gz MVAQHRFRKPHWFD-UHFFFAOYSA-N 2 2 238.331 1.102 10 0 BDAELP COc1cc(OC)cc([C@H](C[NH3+])[NH2+]C2CC2)c1 ZINC000050271280 175010951 /nfs/dbraw/zinc/01/09/51/175010951.db2.gz MYGWCJWIESJCLZ-ZDUSSCGKSA-N 2 2 236.315 1.456 10 0 BDAELP COc1ccc(C)cc1[C@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000052943501 175082278 /nfs/dbraw/zinc/08/22/78/175082278.db2.gz IUZOVXCYQWYUHO-LLVKDONJSA-N 2 2 231.299 1.969 10 0 BDAELP COc1ccc(C[C@H]([NH3+])C[NH+](C)C)cc1F ZINC000071532906 175117334 /nfs/dbraw/zinc/11/73/34/175117334.db2.gz KHTHCHXVTJDMOY-JTQLQIEISA-N 2 2 226.295 1.266 10 0 BDAELP COc1cccc([C@@H]([C@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000043028756 175289482 /nfs/dbraw/zinc/28/94/82/175289482.db2.gz GKWRMOWNVPNADO-GXFFZTMASA-N 2 2 231.299 1.828 10 0 BDAELP C[C@@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357858 176037349 /nfs/dbraw/zinc/03/73/49/176037349.db2.gz RUMPYLJLFBDZRA-FPMFFAJLSA-N 2 2 248.374 1.698 10 0 BDAELP C[C@@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357858 176037351 /nfs/dbraw/zinc/03/73/51/176037351.db2.gz RUMPYLJLFBDZRA-FPMFFAJLSA-N 2 2 248.374 1.698 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000022163735 176102620 /nfs/dbraw/zinc/10/26/20/176102620.db2.gz AXKHZTATTAIURZ-YPMHNXCESA-N 2 2 219.332 1.813 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000022163735 176102622 /nfs/dbraw/zinc/10/26/22/176102622.db2.gz AXKHZTATTAIURZ-YPMHNXCESA-N 2 2 219.332 1.813 10 0 BDAELP C[C@@H]1CC[NH+](CCC[NH+](C)C)CC[C@@H](C)[NH2+]1 ZINC000049666104 176169045 /nfs/dbraw/zinc/16/90/45/176169045.db2.gz JQQDRCHFENLOQP-CHWSQXEVSA-N 3 2 227.396 1.401 10 0 BDAELP C[C@@H]1C[NH+](C2(C[NH3+])CCCCC2)C[C@@H](C)O1 ZINC000019513903 176279682 /nfs/dbraw/zinc/27/96/82/176279682.db2.gz WQHVZTWNRVYWGI-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000019479721 176281005 /nfs/dbraw/zinc/28/10/05/176281005.db2.gz BPXCYRYQXYDKBU-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000019479721 176281006 /nfs/dbraw/zinc/28/10/06/176281006.db2.gz BPXCYRYQXYDKBU-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C[C@@H]1C[N@H+](CC2([NH3+])CCCC2)[C@H](C)CO1 ZINC000037479626 176285320 /nfs/dbraw/zinc/28/53/20/176285320.db2.gz UZIDVRMNYBKBAL-GHMZBOCLSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCCC2)[C@H](C)CO1 ZINC000037479626 176285321 /nfs/dbraw/zinc/28/53/21/176285321.db2.gz UZIDVRMNYBKBAL-GHMZBOCLSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000019259003 176314965 /nfs/dbraw/zinc/31/49/65/176314965.db2.gz ACWAQFIVDLTADN-YPMHNXCESA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000019259003 176314967 /nfs/dbraw/zinc/31/49/67/176314967.db2.gz ACWAQFIVDLTADN-YPMHNXCESA-N 2 2 226.364 1.615 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000095068171 177035451 /nfs/dbraw/zinc/03/54/51/177035451.db2.gz VAHGJVVJTPYPEC-MNOVXSKESA-N 2 2 207.321 1.760 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000095068171 177035452 /nfs/dbraw/zinc/03/54/52/177035452.db2.gz VAHGJVVJTPYPEC-MNOVXSKESA-N 2 2 207.321 1.760 10 0 BDAELP C[C@H]1CC[NH+](CCC[NH+](C)C)CC[C@H](C)[NH2+]1 ZINC000049666103 177161297 /nfs/dbraw/zinc/16/12/97/177161297.db2.gz JQQDRCHFENLOQP-STQMWFEESA-N 3 2 227.396 1.401 10 0 BDAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045662587 177273888 /nfs/dbraw/zinc/27/38/88/177273888.db2.gz AZCZPTIVSKSKMN-QWRGUYRKSA-N 2 2 228.380 1.859 10 0 BDAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])C(C)(C)C)CC(C)(C)O1 ZINC000045662587 177273889 /nfs/dbraw/zinc/27/38/89/177273889.db2.gz AZCZPTIVSKSKMN-QWRGUYRKSA-N 2 2 228.380 1.859 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](Cc2ccncc2)C1 ZINC000049662152 177283005 /nfs/dbraw/zinc/28/30/05/177283005.db2.gz YIZDWPXSVZVFOR-NSHDSACASA-N 2 2 205.305 1.123 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccncc2)C1 ZINC000049662152 177283008 /nfs/dbraw/zinc/28/30/08/177283008.db2.gz YIZDWPXSVZVFOR-NSHDSACASA-N 2 2 205.305 1.123 10 0 BDAELP CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226014359 487644009 /nfs/dbraw/zinc/64/40/09/487644009.db2.gz QFMOTKWYQXVTSF-YNEHKIRRSA-N 2 2 226.364 1.628 10 0 BDAELP CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226014359 487644013 /nfs/dbraw/zinc/64/40/13/487644013.db2.gz QFMOTKWYQXVTSF-YNEHKIRRSA-N 2 2 226.364 1.628 10 0 BDAELP Cc1ccccc1C[N@H+]1C[C@@H]2[NH2+]CC[C@H]2C1 ZINC000503713130 226333122 /nfs/dbraw/zinc/33/31/22/226333122.db2.gz PFVIGWYJGUBRJO-KBPBESRZSA-N 2 2 216.328 1.789 10 0 BDAELP Cc1ccccc1C[N@@H+]1C[C@@H]2[NH2+]CC[C@H]2C1 ZINC000503713130 226333123 /nfs/dbraw/zinc/33/31/23/226333123.db2.gz PFVIGWYJGUBRJO-KBPBESRZSA-N 2 2 216.328 1.789 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089462551 487822477 /nfs/dbraw/zinc/82/24/77/487822477.db2.gz ZZCHINNENRRVMH-WDEREUQCSA-N 2 2 233.315 1.704 10 0 BDAELP Cc1cc(CO)cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)[nH+]1 ZINC000252777194 487832507 /nfs/dbraw/zinc/83/25/07/487832507.db2.gz YLUXITIJVSIGEY-ZWNOBZJWSA-N 2 2 249.358 1.269 10 0 BDAELP c1cc2n(n1)C[C@@H](CNc1cccc[nH+]1)C[NH2+]C2 ZINC000253595628 324191678 /nfs/dbraw/zinc/19/16/78/324191678.db2.gz GTZAHDGKDNTHBC-LLVKDONJSA-N 2 2 243.314 1.110 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796675 488123518 /nfs/dbraw/zinc/12/35/18/488123518.db2.gz RNUBRSXBLOMKBY-IHRRRGAJSA-N 2 2 238.375 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796675 488123520 /nfs/dbraw/zinc/12/35/20/488123520.db2.gz RNUBRSXBLOMKBY-IHRRRGAJSA-N 2 2 238.375 1.628 10 0 BDAELP Cc1c(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cnn1C ZINC000093651382 487481595 /nfs/dbraw/zinc/48/15/95/487481595.db2.gz GIENFDDOLXBUKV-MFKMUULPSA-N 2 2 236.363 1.288 10 0 BDAELP Cc1c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cnn1C ZINC000093651382 487481601 /nfs/dbraw/zinc/48/16/01/487481601.db2.gz GIENFDDOLXBUKV-MFKMUULPSA-N 2 2 236.363 1.288 10 0 BDAELP Cc1nnsc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000309734313 487479367 /nfs/dbraw/zinc/47/93/67/487479367.db2.gz FZVKELAEXKKMJX-SNVBAGLBSA-N 2 2 240.376 1.420 10 0 BDAELP Cc1nnsc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000309734313 487479372 /nfs/dbraw/zinc/47/93/72/487479372.db2.gz FZVKELAEXKKMJX-SNVBAGLBSA-N 2 2 240.376 1.420 10 0 BDAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000309236852 491146570 /nfs/dbraw/zinc/14/65/70/491146570.db2.gz XRKHNUSBWGTSOW-NWDGAFQWSA-N 2 2 214.353 1.079 10 0 BDAELP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000309236852 491146571 /nfs/dbraw/zinc/14/65/71/491146571.db2.gz XRKHNUSBWGTSOW-NWDGAFQWSA-N 2 2 214.353 1.079 10 0 BDAELP [NH3+]C[C@H]1CC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000757140899 582521369 /nfs/dbraw/zinc/52/13/69/582521369.db2.gz CYAWAEFMOATATM-NXEZZACHSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@H]1CC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000757140899 582521371 /nfs/dbraw/zinc/52/13/71/582521371.db2.gz CYAWAEFMOATATM-NXEZZACHSA-N 2 2 218.291 1.845 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000087479314 535541089 /nfs/dbraw/zinc/54/10/89/535541089.db2.gz JXNFIFMYFWDWHU-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000087479314 535541098 /nfs/dbraw/zinc/54/10/98/535541098.db2.gz JXNFIFMYFWDWHU-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000252475278 519863598 /nfs/dbraw/zinc/86/35/98/519863598.db2.gz XMOZGVBWDAJKOY-OLZOCXBDSA-N 2 2 226.364 1.582 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000252475278 519863600 /nfs/dbraw/zinc/86/36/00/519863600.db2.gz XMOZGVBWDAJKOY-OLZOCXBDSA-N 2 2 226.364 1.582 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400362137 528829434 /nfs/dbraw/zinc/82/94/34/528829434.db2.gz CJOXXCGROIAQQB-UPJWGTAASA-N 3 2 227.396 1.303 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400362137 528829436 /nfs/dbraw/zinc/82/94/36/528829436.db2.gz CJOXXCGROIAQQB-UPJWGTAASA-N 3 2 227.396 1.303 10 0 BDAELP CC(C)[NH+](CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(C)C ZINC000400423064 528907091 /nfs/dbraw/zinc/90/70/91/528907091.db2.gz XRTQPLKRUBHLIU-ZIAGYGMSSA-N 3 2 241.423 1.693 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@@H]1C ZINC000227838217 535304722 /nfs/dbraw/zinc/30/47/22/535304722.db2.gz MHGYYWKLRYONNM-UPJWGTAASA-N 2 2 228.380 1.730 10 0 BDAELP CC[N@@H+]1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC000175167444 535592601 /nfs/dbraw/zinc/59/26/01/535592601.db2.gz UYXIYQUJRQKJAL-LBPRGKRZSA-N 2 2 234.347 1.706 10 0 BDAELP CC[N@H+]1CCC[C@H]1CN(C)c1cc[nH+]c(C)n1 ZINC000175167444 535592606 /nfs/dbraw/zinc/59/26/06/535592606.db2.gz UYXIYQUJRQKJAL-LBPRGKRZSA-N 2 2 234.347 1.706 10 0 BDAELP COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261995875 536980457 /nfs/dbraw/zinc/98/04/57/536980457.db2.gz KTUQCSUGGQGNNE-FROLJDDGSA-N 2 2 246.354 1.987 10 0 BDAELP COc1ccccc1/C=C/C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261995875 536980460 /nfs/dbraw/zinc/98/04/60/536980460.db2.gz KTUQCSUGGQGNNE-FROLJDDGSA-N 2 2 246.354 1.987 10 0 BDAELP C[C@@H]1C[C@@H]1[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126432 582500970 /nfs/dbraw/zinc/50/09/70/582500970.db2.gz FRMAEGNKRRCBJI-KWCYVHTRSA-N 2 2 220.360 1.955 10 0 BDAELP C[C@@H]1C[C@@H]1[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757126432 582500972 /nfs/dbraw/zinc/50/09/72/582500972.db2.gz FRMAEGNKRRCBJI-KWCYVHTRSA-N 2 2 220.360 1.955 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@@H](C)C[C@@H]2[NH3+])cc1 ZINC000757218523 582562293 /nfs/dbraw/zinc/56/22/93/582562293.db2.gz VNMFEAOOVKQPST-HERUPUMHSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757228630 586442588 /nfs/dbraw/zinc/44/25/88/586442588.db2.gz DFAPWTAFLNKXTF-USWWRNFRSA-N 2 2 236.363 1.778 10 0 BDAELP CC(C)(C)n1cc([C@H]2CC[C@@H]([NH3+])C[NH2+]2)cn1 ZINC000757231107 586443376 /nfs/dbraw/zinc/44/33/76/586443376.db2.gz GKBLHDPJTVFYOQ-GHMZBOCLSA-N 2 2 222.336 1.390 10 0 BDAELP CC(C)(C)n1cc([C@H]2[NH2+]CCC[C@H]2[NH3+])cn1 ZINC000757235846 586443653 /nfs/dbraw/zinc/44/36/53/586443653.db2.gz MXQAGOWHVHDLIH-GHMZBOCLSA-N 2 2 222.336 1.390 10 0 BDAELP C[C@@H]1[NH2+][C@@H](c2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000757239486 586444452 /nfs/dbraw/zinc/44/44/52/586444452.db2.gz UINLNCNTUHHCJA-ZMLRMANQSA-N 2 2 236.363 1.778 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000189562616 641810388 /nfs/dbraw/zinc/81/03/88/641810388.db2.gz ARNSEEIUQXMHOI-RDBSUJKOSA-N 2 2 238.375 1.997 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000189562616 641810394 /nfs/dbraw/zinc/81/03/94/641810394.db2.gz ARNSEEIUQXMHOI-RDBSUJKOSA-N 2 2 238.375 1.997 10 0 BDAELP CO[C@@H]1C[C@@H](C[NH3+])[N@H+](Cc2ccccc2)C1 ZINC000307364405 643456517 /nfs/dbraw/zinc/45/65/17/643456517.db2.gz KCFCMCLIRLTYQM-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP CO[C@@H]1C[C@@H](C[NH3+])[N@@H+](Cc2ccccc2)C1 ZINC000307364405 643456521 /nfs/dbraw/zinc/45/65/21/643456521.db2.gz KCFCMCLIRLTYQM-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708892326 712202488 /nfs/dbraw/zinc/20/24/88/712202488.db2.gz ASLGSNFYICNUJZ-ZJUUUORDSA-N 2 2 239.750 1.762 10 0 BDAELP Cc1conc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000720378505 712837132 /nfs/dbraw/zinc/83/71/32/712837132.db2.gz HPFIWZVBAFZRAK-DCAQKATOSA-N 2 2 221.304 1.152 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708892326 712202486 /nfs/dbraw/zinc/20/24/86/712202486.db2.gz ASLGSNFYICNUJZ-ZJUUUORDSA-N 2 2 239.750 1.762 10 0 BDAELP Cc1conc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000720378505 712837131 /nfs/dbraw/zinc/83/71/31/712837131.db2.gz HPFIWZVBAFZRAK-DCAQKATOSA-N 2 2 221.304 1.152 10 0 BDAELP FC(F)(C[NH2+]C1CC1)Cn1cc[nH+]c1 ZINC000685957001 538901149 /nfs/dbraw/zinc/90/11/49/538901149.db2.gz PCSONQHIYKODDG-UHFFFAOYSA-N 2 2 201.220 1.270 10 0 BDAELP CCC[NH2+]CC(F)(F)Cn1cc[nH+]c1 ZINC000685957194 538904153 /nfs/dbraw/zinc/90/41/53/538904153.db2.gz UILAWPBXZSMOED-UHFFFAOYSA-N 2 2 203.236 1.518 10 0 BDAELP C[N@@H+]1CCCC[C@H]1CCn1c[nH+]c(N)c1 ZINC000685964206 538911180 /nfs/dbraw/zinc/91/11/80/538911180.db2.gz NOBICLVLYJDTEM-JTQLQIEISA-N 2 2 208.309 1.340 10 0 BDAELP C[N@H+]1CCCC[C@H]1CCn1c[nH+]c(N)c1 ZINC000685964206 538911181 /nfs/dbraw/zinc/91/11/81/538911181.db2.gz NOBICLVLYJDTEM-JTQLQIEISA-N 2 2 208.309 1.340 10 0 BDAELP c1cnn(CC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000058396308 349463895 /nfs/dbraw/zinc/46/38/95/349463895.db2.gz VYLISSIOGSOESF-UHFFFAOYSA-N 2 2 248.374 1.443 10 0 BDAELP Nc1cccc([C@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616612033 349471621 /nfs/dbraw/zinc/47/16/21/349471621.db2.gz KEADXHLGCYXEBU-NSHDSACASA-N 2 2 205.305 1.017 10 0 BDAELP Nc1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616612033 349471623 /nfs/dbraw/zinc/47/16/23/349471623.db2.gz KEADXHLGCYXEBU-NSHDSACASA-N 2 2 205.305 1.017 10 0 BDAELP Cc1cc([NH3+])ccc1NC[C@@H]1CC[N@@H+](C)C1 ZINC000037484561 178106524 /nfs/dbraw/zinc/10/65/24/178106524.db2.gz IHGIIWGGFMIMNS-NSHDSACASA-N 2 2 219.332 1.941 10 0 BDAELP Cc1cc([NH3+])ccc1NC[C@@H]1CC[N@H+](C)C1 ZINC000037484561 178106526 /nfs/dbraw/zinc/10/65/26/178106526.db2.gz IHGIIWGGFMIMNS-NSHDSACASA-N 2 2 219.332 1.941 10 0 BDAELP Cc1cc(N2CCC(C[NH2+]C(C)C)CC2)nc[nH+]1 ZINC000053664762 178112453 /nfs/dbraw/zinc/11/24/53/178112453.db2.gz WCLMMHJITVVXOT-UHFFFAOYSA-N 2 2 248.374 1.999 10 0 BDAELP Cc1cc(N2C[C@@H]3C[NH2+]C[C@@H]32)c[nH+]c1C ZINC000028865878 178121289 /nfs/dbraw/zinc/12/12/89/178121289.db2.gz ZTWHVRXLTQENEO-JQWIXIFHSA-N 2 2 203.289 1.106 10 0 BDAELP Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000092349755 178147886 /nfs/dbraw/zinc/14/78/86/178147886.db2.gz RMQQCKGSVJCCEH-WDEREUQCSA-N 2 2 233.315 1.846 10 0 BDAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C2)C1(C)C ZINC000336894356 398218087 /nfs/dbraw/zinc/21/80/87/398218087.db2.gz LVPKOAAGURNIRL-JHJVBQTASA-N 2 2 240.391 1.874 10 0 BDAELP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000336894356 398218090 /nfs/dbraw/zinc/21/80/90/398218090.db2.gz LVPKOAAGURNIRL-JHJVBQTASA-N 2 2 240.391 1.874 10 0 BDAELP Cc1cc(NC(=O)c2c[nH+]ccc2N)cc[nH+]1 ZINC000128116324 178151420 /nfs/dbraw/zinc/15/14/20/178151420.db2.gz WBQWLVQZAPRQFA-UHFFFAOYSA-N 2 2 228.255 1.620 10 0 BDAELP Cc1cc(N[C@H](C[NH3+])Cc2ccccc2)nc[nH+]1 ZINC000104312904 178186985 /nfs/dbraw/zinc/18/69/85/178186985.db2.gz UWSWQZGZYSKDAF-ZDUSSCGKSA-N 2 2 242.326 1.767 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2nccc3ccccc32)C1 ZINC000616612518 349570323 /nfs/dbraw/zinc/57/03/23/349570323.db2.gz UZPSRUJJNJYFRS-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2nccc3ccccc32)C1 ZINC000616612518 349570325 /nfs/dbraw/zinc/57/03/25/349570325.db2.gz UZPSRUJJNJYFRS-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP CC[NH+]1CC2(C)C[NH+](CC)CC(C)(C1)C2O ZINC000003162419 342731086 /nfs/dbraw/zinc/73/10/86/342731086.db2.gz VKTYTIIOIVYHSD-UHFFFAOYSA-N 2 2 226.364 1.031 10 0 BDAELP COC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188408832 538978993 /nfs/dbraw/zinc/97/89/93/538978993.db2.gz KQYFGRCOVIYYLT-CHWSQXEVSA-N 2 2 237.347 1.630 10 0 BDAELP COC[C@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188408832 538978994 /nfs/dbraw/zinc/97/89/94/538978994.db2.gz KQYFGRCOVIYYLT-CHWSQXEVSA-N 2 2 237.347 1.630 10 0 BDAELP C[N@@H+]1CCC[C@@]2(CC1)[NH2+]CCc1occc12 ZINC000709974861 539027949 /nfs/dbraw/zinc/02/79/49/539027949.db2.gz FYTDNAMVLGKSRS-ZDUSSCGKSA-N 2 2 220.316 1.736 10 0 BDAELP C[N@H+]1CCC[C@@]2(CC1)[NH2+]CCc1occc12 ZINC000709974861 539027950 /nfs/dbraw/zinc/02/79/50/539027950.db2.gz FYTDNAMVLGKSRS-ZDUSSCGKSA-N 2 2 220.316 1.736 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000384136889 343053200 /nfs/dbraw/zinc/05/32/00/343053200.db2.gz LSDAVBXJRZTJPQ-MNOVXSKESA-N 2 2 233.315 1.278 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1F ZINC000072201029 343069469 /nfs/dbraw/zinc/06/94/69/343069469.db2.gz VTABJHFRRLQOTQ-MRVPVSSYSA-N 2 2 222.185 1.803 10 0 BDAELP C[N@@H+]1CC[C@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000042548592 362006340 /nfs/dbraw/zinc/00/63/40/362006340.db2.gz RZWCLNYABZHVKR-QMMMGPOBSA-N 2 2 213.350 1.162 10 0 BDAELP C[N@H+]1CC[C@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000042548592 362006345 /nfs/dbraw/zinc/00/63/45/362006345.db2.gz RZWCLNYABZHVKR-QMMMGPOBSA-N 2 2 213.350 1.162 10 0 BDAELP Cc1nccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)n1 ZINC000062079020 136272006 /nfs/dbraw/zinc/27/20/06/136272006.db2.gz SDBLDAYAUQMJON-LBPRGKRZSA-N 2 2 248.374 1.607 10 0 BDAELP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042545293 343443189 /nfs/dbraw/zinc/44/31/89/343443189.db2.gz BJBKCVVGFIFJTQ-WDEREUQCSA-N 2 2 214.353 1.484 10 0 BDAELP COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042545293 343443191 /nfs/dbraw/zinc/44/31/91/343443191.db2.gz BJBKCVVGFIFJTQ-WDEREUQCSA-N 2 2 214.353 1.484 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ncccn2)C1 ZINC000616627462 343525747 /nfs/dbraw/zinc/52/57/47/343525747.db2.gz FYJAVOMNYDZNCQ-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ncccn2)C1 ZINC000616627462 343525748 /nfs/dbraw/zinc/52/57/48/343525748.db2.gz FYJAVOMNYDZNCQ-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461423 187265837 /nfs/dbraw/zinc/26/58/37/187265837.db2.gz AXRNFOKXAXAVLK-JTQLQIEISA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461423 187265838 /nfs/dbraw/zinc/26/58/38/187265838.db2.gz AXRNFOKXAXAVLK-JTQLQIEISA-N 2 2 200.326 1.081 10 0 BDAELP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC000049330435 187270408 /nfs/dbraw/zinc/27/04/08/187270408.db2.gz IKCVBAYENFLBCY-LBPRGKRZSA-N 3 2 236.363 1.265 10 0 BDAELP CC(C)[C@H](C[NH2+]C[C@H]1CCCCN1C)[NH+](C)C ZINC000054240294 187271832 /nfs/dbraw/zinc/27/18/32/187271832.db2.gz KCZFIPFRVMPFHJ-KGLIPLIRSA-N 2 2 241.423 1.647 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCCO1 ZINC000128590089 349871413 /nfs/dbraw/zinc/87/14/13/349871413.db2.gz PFQYGIUWCFMNRW-KGLIPLIRSA-N 2 2 234.343 1.625 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H]1CCCO1 ZINC000128590089 349871418 /nfs/dbraw/zinc/87/14/18/349871418.db2.gz PFQYGIUWCFMNRW-KGLIPLIRSA-N 2 2 234.343 1.625 10 0 BDAELP C[NH2+][C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000409442625 343858376 /nfs/dbraw/zinc/85/83/76/343858376.db2.gz YGVOCONEHPTSEX-STQMWFEESA-N 2 2 204.317 1.917 10 0 BDAELP C[N@@H+]1CCSC[C@H]1c1ncc(C[NH3+])s1 ZINC000234363548 343954211 /nfs/dbraw/zinc/95/42/11/343954211.db2.gz KATCWZODLJJWET-QMMMGPOBSA-N 2 2 229.374 1.322 10 0 BDAELP Cc1cccc(NC[C@@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000085791124 187285779 /nfs/dbraw/zinc/28/57/79/187285779.db2.gz NVKPVCRFIWJYCX-LLVKDONJSA-N 2 2 221.304 1.133 10 0 BDAELP Cc1cccc(NC[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000085791124 187285781 /nfs/dbraw/zinc/28/57/81/187285781.db2.gz NVKPVCRFIWJYCX-LLVKDONJSA-N 2 2 221.304 1.133 10 0 BDAELP [NH3+]CCN(Cc1c[nH+]c[nH]1)Cc1ccccc1 ZINC000236181628 344308877 /nfs/dbraw/zinc/30/88/77/344308877.db2.gz ZJSCCDQIGADLAE-UHFFFAOYSA-N 2 2 230.315 1.371 10 0 BDAELP [NH3+]CCN(Cc1c[nH]c[nH+]1)Cc1ccccc1 ZINC000236181628 344308880 /nfs/dbraw/zinc/30/88/80/344308880.db2.gz ZJSCCDQIGADLAE-UHFFFAOYSA-N 2 2 230.315 1.371 10 0 BDAELP CCSCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600886921 344386268 /nfs/dbraw/zinc/38/62/68/344386268.db2.gz UPXORAGGYDOBHP-GHMZBOCLSA-N 2 2 232.393 1.178 10 0 BDAELP CCSCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000600886921 344386270 /nfs/dbraw/zinc/38/62/70/344386270.db2.gz UPXORAGGYDOBHP-GHMZBOCLSA-N 2 2 232.393 1.178 10 0 BDAELP C[C@H]([NH3+])[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000381507381 344514762 /nfs/dbraw/zinc/51/47/62/344514762.db2.gz LUIUTGUOUSKTQM-STQMWFEESA-N 2 2 233.359 1.544 10 0 BDAELP C[C@@H]([NH3+])[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000381507377 344514886 /nfs/dbraw/zinc/51/48/86/344514886.db2.gz LUIUTGUOUSKTQM-CHWSQXEVSA-N 2 2 233.359 1.544 10 0 BDAELP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000625977039 344642557 /nfs/dbraw/zinc/64/25/57/344642557.db2.gz WXMAGSMYXOJRBD-IEECTRCBSA-N 2 2 226.364 1.482 10 0 BDAELP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000625977039 344642558 /nfs/dbraw/zinc/64/25/58/344642558.db2.gz WXMAGSMYXOJRBD-IEECTRCBSA-N 2 2 226.364 1.482 10 0 BDAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]2)CS1 ZINC000235411883 344907889 /nfs/dbraw/zinc/90/78/89/344907889.db2.gz GNZSMTUOYDKYAH-OUAUKWLOSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]2)CS1 ZINC000235411883 344907890 /nfs/dbraw/zinc/90/78/90/344907890.db2.gz GNZSMTUOYDKYAH-OUAUKWLOSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@H](c1cnccn1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247965557 344993490 /nfs/dbraw/zinc/99/34/90/344993490.db2.gz HOVQNNDWSVBKSG-NEPJUHHUSA-N 2 2 234.347 1.469 10 0 BDAELP C[C@H](c1cnccn1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247965557 344993491 /nfs/dbraw/zinc/99/34/91/344993491.db2.gz HOVQNNDWSVBKSG-NEPJUHHUSA-N 2 2 234.347 1.469 10 0 BDAELP C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248036643 345021681 /nfs/dbraw/zinc/02/16/81/345021681.db2.gz JKXQRHRSEWMWBN-UONOGXRCSA-N 2 2 234.343 1.089 10 0 BDAELP C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248036643 345021685 /nfs/dbraw/zinc/02/16/85/345021685.db2.gz JKXQRHRSEWMWBN-UONOGXRCSA-N 2 2 234.343 1.089 10 0 BDAELP Cc1csc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000238498899 345063742 /nfs/dbraw/zinc/06/37/42/345063742.db2.gz SUORIZGZILECBS-SNVBAGLBSA-N 2 2 210.346 1.980 10 0 BDAELP Cc1csc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000238498899 345063744 /nfs/dbraw/zinc/06/37/44/345063744.db2.gz SUORIZGZILECBS-SNVBAGLBSA-N 2 2 210.346 1.980 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc2ccccc2nc1Cl ZINC000044471991 345090241 /nfs/dbraw/zinc/09/02/41/345090241.db2.gz ONRWPYBBYRHTEY-SECBINFHSA-N 2 2 221.691 1.847 10 0 BDAELP NC(=[NH2+])c1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CC2 ZINC000034894289 345845644 /nfs/dbraw/zinc/84/56/44/345845644.db2.gz LGRJJTFUBZOLFT-UHFFFAOYSA-N 2 2 241.298 1.256 10 0 BDAELP NC(=[NH2+])c1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CC2 ZINC000034894289 345845646 /nfs/dbraw/zinc/84/56/46/345845646.db2.gz LGRJJTFUBZOLFT-UHFFFAOYSA-N 2 2 241.298 1.256 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CC[NH2+]C2)O1 ZINC000669371693 537948056 /nfs/dbraw/zinc/94/80/56/537948056.db2.gz QEFGLKSVHNKOKI-ZFWWWQNUSA-N 2 2 246.354 1.639 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CC[NH2+]C2)O1 ZINC000669371693 537948060 /nfs/dbraw/zinc/94/80/60/537948060.db2.gz QEFGLKSVHNKOKI-ZFWWWQNUSA-N 2 2 246.354 1.639 10 0 BDAELP Cc1cc[nH+]c(C[C@H](O)C2CC[NH2+]CC2)c1 ZINC000167297526 346230172 /nfs/dbraw/zinc/23/01/72/346230172.db2.gz JUXFGTHBOBFWRJ-ZDUSSCGKSA-N 2 2 220.316 1.293 10 0 BDAELP Cc1cccc(C)c1OCC[C@@H](C[NH3+])[NH+](C)C ZINC000019663823 179046891 /nfs/dbraw/zinc/04/68/91/179046891.db2.gz FYUJANJUMYWVNV-ZDUSSCGKSA-N 2 2 236.359 1.961 10 0 BDAELP CC(C)[NH+](C[C@H]1C[NH2+]C[C@H](C[NH3+])C1)C(C)C ZINC000669378799 537971385 /nfs/dbraw/zinc/97/13/85/537971385.db2.gz NVXJHVFTSYWIDC-QWHCGFSZSA-N 3 2 227.396 1.290 10 0 BDAELP Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H](C)C[NH3+])c1 ZINC000042455918 179128385 /nfs/dbraw/zinc/12/83/85/179128385.db2.gz SNPYNNZXJVJTIY-LBPRGKRZSA-N 2 2 249.358 1.460 10 0 BDAELP Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)C[NH3+])c1 ZINC000042455918 179128387 /nfs/dbraw/zinc/12/83/87/179128387.db2.gz SNPYNNZXJVJTIY-LBPRGKRZSA-N 2 2 249.358 1.460 10 0 BDAELP CCC(F)(F)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000641824676 362774371 /nfs/dbraw/zinc/77/43/71/362774371.db2.gz XDTNDQIXAIXNSH-IUCAKERBSA-N 2 2 206.280 1.558 10 0 BDAELP CCC(F)(F)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000641824676 362774373 /nfs/dbraw/zinc/77/43/73/362774373.db2.gz XDTNDQIXAIXNSH-IUCAKERBSA-N 2 2 206.280 1.558 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000042966820 179184822 /nfs/dbraw/zinc/18/48/22/179184822.db2.gz VJMKWEICQAGMTD-HUUCEWRRSA-N 2 2 248.370 1.842 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCCC[C@@H]2CO)c1 ZINC000042966820 179184824 /nfs/dbraw/zinc/18/48/24/179184824.db2.gz VJMKWEICQAGMTD-HUUCEWRRSA-N 2 2 248.370 1.842 10 0 BDAELP C[N@H+](C[C@@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000250401032 362803920 /nfs/dbraw/zinc/80/39/20/362803920.db2.gz MGAFKTCVJHEVQJ-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP C[N@@H+](C[C@@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000250401032 362803924 /nfs/dbraw/zinc/80/39/24/362803924.db2.gz MGAFKTCVJHEVQJ-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP Cc1ccccc1NC(=O)C[NH2+]CCC[NH+](C)C ZINC000020054174 179298585 /nfs/dbraw/zinc/29/85/85/179298585.db2.gz LOCMTJACMIRRBE-UHFFFAOYSA-N 2 2 249.358 1.475 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])n1cc[nH+]c1 ZINC000043037702 179342739 /nfs/dbraw/zinc/34/27/39/179342739.db2.gz ZCQGOORFYHVXMX-LBPRGKRZSA-N 2 2 201.273 1.740 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000394977353 323184920 /nfs/dbraw/zinc/18/49/20/323184920.db2.gz CKCGTNFQLJXXSW-FIQHERPVSA-N 2 2 212.337 1.236 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1 ZINC000394977353 323184921 /nfs/dbraw/zinc/18/49/21/323184921.db2.gz CKCGTNFQLJXXSW-FIQHERPVSA-N 2 2 212.337 1.236 10 0 BDAELP CC(C)Cc1[nH+]c2c(n1C)[C@@H]([NH3+])CCC2 ZINC000725253305 538036327 /nfs/dbraw/zinc/03/63/27/538036327.db2.gz BUNZUNHECNWQIE-VIFPVBQESA-N 2 2 207.321 1.955 10 0 BDAELP FC1(C[N@@H+]2CCC[NH2+]CC2)CCCC1 ZINC000616580828 349259626 /nfs/dbraw/zinc/25/96/26/349259626.db2.gz RGUTZIUGOGFBGW-UHFFFAOYSA-N 2 2 200.301 1.564 10 0 BDAELP FC1(C[N@H+]2CCC[NH2+]CC2)CCCC1 ZINC000616580828 349259629 /nfs/dbraw/zinc/25/96/29/349259629.db2.gz RGUTZIUGOGFBGW-UHFFFAOYSA-N 2 2 200.301 1.564 10 0 BDAELP Cc1[nH+]c2c(n1CC[NH+]1CCOCC1)CCCC2 ZINC000076095392 180071910 /nfs/dbraw/zinc/07/19/10/180071910.db2.gz YHVJRKAWPMOICG-UHFFFAOYSA-N 2 2 249.358 1.403 10 0 BDAELP Cc1[nH+]c2ccc(Cl)cn2c1CC[NH3+] ZINC000033507143 180091260 /nfs/dbraw/zinc/09/12/60/180091260.db2.gz LJFNYXUGVDURKK-UHFFFAOYSA-N 2 2 209.680 1.797 10 0 BDAELP Cc1nccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038037595 180192246 /nfs/dbraw/zinc/19/22/46/180192246.db2.gz USYMWIPUKKRWSB-YPMHNXCESA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C)C2)n1 ZINC000038037595 180192249 /nfs/dbraw/zinc/19/22/49/180192249.db2.gz USYMWIPUKKRWSB-YPMHNXCESA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nc(N[C@@H]2c3ccccc3C[C@@H]2[NH3+])cc[nH+]1 ZINC000104322549 180204844 /nfs/dbraw/zinc/20/48/44/180204844.db2.gz YVXWSOATTJLVDC-GXTWGEPZSA-N 2 2 240.310 1.822 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000335598350 180250905 /nfs/dbraw/zinc/25/09/05/180250905.db2.gz WMBIVYMCGGNDOV-PWSUYJOCSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](O)[C@H]1C ZINC000335598350 180250907 /nfs/dbraw/zinc/25/09/07/180250907.db2.gz WMBIVYMCGGNDOV-PWSUYJOCSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000178755572 180269274 /nfs/dbraw/zinc/26/92/74/180269274.db2.gz HYKKWIQRHLJMQW-GFCCVEGCSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ncc[nH]1 ZINC000178755572 180269275 /nfs/dbraw/zinc/26/92/75/180269275.db2.gz HYKKWIQRHLJMQW-GFCCVEGCSA-N 2 2 245.330 1.579 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324624429 350308138 /nfs/dbraw/zinc/30/81/38/350308138.db2.gz QPCPTKCTTZFZPE-WDEREUQCSA-N 2 2 214.353 1.077 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324624429 350308140 /nfs/dbraw/zinc/30/81/40/350308140.db2.gz QPCPTKCTTZFZPE-WDEREUQCSA-N 2 2 214.353 1.077 10 0 BDAELP C[NH+]1CCC2(CC1)[NH2+]CCc1occc12 ZINC000212353902 538088221 /nfs/dbraw/zinc/08/82/21/538088221.db2.gz WIYMFBMSXJNIFA-UHFFFAOYSA-N 2 2 206.289 1.346 10 0 BDAELP Cc1[nH+]cn(-c2cc(C[NH3+])ccn2)c1C ZINC000051925510 180285219 /nfs/dbraw/zinc/28/52/19/180285219.db2.gz MOCUDCGNWLTRCM-UHFFFAOYSA-N 2 2 202.261 1.343 10 0 BDAELP CNc1cccc([C@H]2COCCC[N@@H+]2CC[NH3+])c1 ZINC000616599615 350754377 /nfs/dbraw/zinc/75/43/77/350754377.db2.gz MEQYHPZKBLKYST-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1cccc([C@H]2COCCC[N@H+]2CC[NH3+])c1 ZINC000616599615 350754381 /nfs/dbraw/zinc/75/43/81/350754381.db2.gz MEQYHPZKBLKYST-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP COc1cccc(C[C@H](C[NH3+])[NH+](C)C)c1 ZINC000041217890 350783888 /nfs/dbraw/zinc/78/38/88/350783888.db2.gz JQAJZFZKXBSTRD-LLVKDONJSA-N 2 2 208.305 1.127 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](Nc2ccccn2)C1 ZINC000616603252 350788972 /nfs/dbraw/zinc/78/89/72/350788972.db2.gz FBCYQOKGQLZWID-LBPRGKRZSA-N 2 2 234.347 1.307 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](Nc2ccccn2)C1 ZINC000616603252 350788974 /nfs/dbraw/zinc/78/89/74/350788974.db2.gz FBCYQOKGQLZWID-LBPRGKRZSA-N 2 2 234.347 1.307 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc2ccnnc2c1 ZINC000616607060 350799237 /nfs/dbraw/zinc/79/92/37/350799237.db2.gz DHBPWRSUCUJGEV-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc2ccnnc2c1 ZINC000616607060 350799240 /nfs/dbraw/zinc/79/92/40/350799240.db2.gz DHBPWRSUCUJGEV-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP Nc1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000616608230 350803613 /nfs/dbraw/zinc/80/36/13/350803613.db2.gz NLTBFQVOPSCRBL-GFCCVEGCSA-N 2 2 205.305 1.364 10 0 BDAELP Nc1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000616608230 350803616 /nfs/dbraw/zinc/80/36/16/350803616.db2.gz NLTBFQVOPSCRBL-GFCCVEGCSA-N 2 2 205.305 1.364 10 0 BDAELP C[C@H]1SCC[C@@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677736 350832766 /nfs/dbraw/zinc/83/27/66/350832766.db2.gz ZSHBBNBXCIYZQY-MXWKQRLJSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@H]1SCC[C@@H]1[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677736 350832769 /nfs/dbraw/zinc/83/27/69/350832769.db2.gz ZSHBBNBXCIYZQY-MXWKQRLJSA-N 2 2 214.378 1.564 10 0 BDAELP CC[C@@H]1CS[C@]2(CC[C@H](C)[NH2+]C2)[NH2+]1 ZINC000306685803 350842964 /nfs/dbraw/zinc/84/29/64/350842964.db2.gz JJBMLSWYZUWZGY-AEJSXWLSSA-N 2 2 200.351 1.570 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616620777 350945060 /nfs/dbraw/zinc/94/50/60/350945060.db2.gz NIEBNJXKBXGDJD-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616620777 350945063 /nfs/dbraw/zinc/94/50/63/350945063.db2.gz NIEBNJXKBXGDJD-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCO ZINC000306815323 351083016 /nfs/dbraw/zinc/08/30/16/351083016.db2.gz BVGRUPHDNCVYRS-LBPRGKRZSA-N 2 2 222.332 1.089 10 0 BDAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCO ZINC000306815323 351083022 /nfs/dbraw/zinc/08/30/22/351083022.db2.gz BVGRUPHDNCVYRS-LBPRGKRZSA-N 2 2 222.332 1.089 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccnnc1 ZINC000616623809 351090219 /nfs/dbraw/zinc/09/02/19/351090219.db2.gz IEULONMJXTVAFE-GFCCVEGCSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccnnc1 ZINC000616623809 351090221 /nfs/dbraw/zinc/09/02/21/351090221.db2.gz IEULONMJXTVAFE-GFCCVEGCSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccnn1 ZINC000616623826 351090228 /nfs/dbraw/zinc/09/02/28/351090228.db2.gz JAXUXXLPWBZABE-GFCCVEGCSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccnn1 ZINC000616623826 351090230 /nfs/dbraw/zinc/09/02/30/351090230.db2.gz JAXUXXLPWBZABE-GFCCVEGCSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cn[nH]c1 ZINC000616624861 351093037 /nfs/dbraw/zinc/09/30/37/351093037.db2.gz SFKSGFNBWYFJHP-LLVKDONJSA-N 2 2 208.309 1.286 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cn[nH]c1 ZINC000616624861 351093040 /nfs/dbraw/zinc/09/30/40/351093040.db2.gz SFKSGFNBWYFJHP-LLVKDONJSA-N 2 2 208.309 1.286 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cnco2)C1 ZINC000616628246 351097459 /nfs/dbraw/zinc/09/74/59/351097459.db2.gz IHQCMSDXMDVRQP-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cnco2)C1 ZINC000616628246 351097462 /nfs/dbraw/zinc/09/74/62/351097462.db2.gz IHQCMSDXMDVRQP-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP CNc1cccc([C@H]2COCC[N@H+](CC[NH3+])C2)c1 ZINC000616664244 351219142 /nfs/dbraw/zinc/21/91/42/351219142.db2.gz RKMLPDSDSOERCU-CYBMUJFWSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1cccc([C@H]2COCC[N@@H+](CC[NH3+])C2)c1 ZINC000616664244 351219146 /nfs/dbraw/zinc/21/91/46/351219146.db2.gz RKMLPDSDSOERCU-CYBMUJFWSA-N 2 2 249.358 1.103 10 0 BDAELP [NH3+][C@H]1CC[C@H]([N@@H+]2CCC=C(Br)C2)C1 ZINC000404407173 351426912 /nfs/dbraw/zinc/42/69/12/351426912.db2.gz XQWOBPKTXZIMKY-UWVGGRQHSA-N 2 2 245.164 1.851 10 0 BDAELP [NH3+][C@H]1CC[C@H]([N@H+]2CCC=C(Br)C2)C1 ZINC000404407173 351426917 /nfs/dbraw/zinc/42/69/17/351426917.db2.gz XQWOBPKTXZIMKY-UWVGGRQHSA-N 2 2 245.164 1.851 10 0 BDAELP [NH3+]C[C@@H]1CC[C@H]1[N@@H+]1CCC=C(Br)C1 ZINC000404537167 351498161 /nfs/dbraw/zinc/49/81/61/351498161.db2.gz HIYPDWFSUPBEAB-WCBMZHEXSA-N 2 2 245.164 1.708 10 0 BDAELP [NH3+]C[C@@H]1CC[C@H]1[N@H+]1CCC=C(Br)C1 ZINC000404537167 351498166 /nfs/dbraw/zinc/49/81/66/351498166.db2.gz HIYPDWFSUPBEAB-WCBMZHEXSA-N 2 2 245.164 1.708 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC000232014480 351528695 /nfs/dbraw/zinc/52/86/95/351528695.db2.gz YBBRRGXZSIIKJF-PCYYEKQGSA-N 2 2 202.729 1.813 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC000232014480 351528698 /nfs/dbraw/zinc/52/86/98/351528698.db2.gz YBBRRGXZSIIKJF-PCYYEKQGSA-N 2 2 202.729 1.813 10 0 BDAELP [NH3+]CC[N@H+](CCOCc1ccccc1)C1CC1 ZINC000307264859 351812737 /nfs/dbraw/zinc/81/27/37/351812737.db2.gz CXMGOCVRDCZWDU-UHFFFAOYSA-N 2 2 234.343 1.626 10 0 BDAELP [NH3+]CC[N@@H+](CCOCc1ccccc1)C1CC1 ZINC000307264859 351812740 /nfs/dbraw/zinc/81/27/40/351812740.db2.gz CXMGOCVRDCZWDU-UHFFFAOYSA-N 2 2 234.343 1.626 10 0 BDAELP COC(C)(C)[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000307426281 352593204 /nfs/dbraw/zinc/59/32/04/352593204.db2.gz FQGTXRBOFHUIAO-CYBMUJFWSA-N 2 2 236.359 1.871 10 0 BDAELP COC(C)(C)[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000307426281 352593207 /nfs/dbraw/zinc/59/32/07/352593207.db2.gz FQGTXRBOFHUIAO-CYBMUJFWSA-N 2 2 236.359 1.871 10 0 BDAELP CC[C@@H]1CC[NH2+][C@H]([C@@](C)(F)[C@H](C)[NH3+])C1 ZINC000307738218 353122569 /nfs/dbraw/zinc/12/25/69/353122569.db2.gz WHOXIXUPOIFJBN-VLEAKVRGSA-N 2 2 202.317 1.840 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@@H+]1C ZINC000129593062 353738840 /nfs/dbraw/zinc/73/88/40/353738840.db2.gz GKRKYGYATPRCTO-YPMHNXCESA-N 2 2 204.317 1.869 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@H+]1C ZINC000129593062 353738843 /nfs/dbraw/zinc/73/88/43/353738843.db2.gz GKRKYGYATPRCTO-YPMHNXCESA-N 2 2 204.317 1.869 10 0 BDAELP NC(=[NH2+])c1ccc(CCc2c[nH]c[nH+]2)cc1 ZINC000026379099 181193600 /nfs/dbraw/zinc/19/36/00/181193600.db2.gz OHGZJPSNTVYDHQ-UHFFFAOYSA-N 2 2 214.272 1.479 10 0 BDAELP NC(=[NH2+])c1ccc(CCc2c[nH+]c[nH]2)cc1 ZINC000026379099 181193601 /nfs/dbraw/zinc/19/36/01/181193601.db2.gz OHGZJPSNTVYDHQ-UHFFFAOYSA-N 2 2 214.272 1.479 10 0 BDAELP CC[C@@H]1C[NH2+]CC[C@@]12[NH2+]CCCS2 ZINC000229823263 355419297 /nfs/dbraw/zinc/41/92/97/355419297.db2.gz PIEFSPJPZJWQET-ZJUUUORDSA-N 2 2 200.351 1.429 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000389069142 355606343 /nfs/dbraw/zinc/60/63/43/355606343.db2.gz LWCMFWQSUDNILN-XQQFMLRXSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCOC2)C1 ZINC000389069142 355606347 /nfs/dbraw/zinc/60/63/47/355606347.db2.gz LWCMFWQSUDNILN-XQQFMLRXSA-N 2 2 226.364 1.485 10 0 BDAELP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)cc1 ZINC000384380789 356633249 /nfs/dbraw/zinc/63/32/49/356633249.db2.gz ODLKSGCDCGRJIM-OAHLLOKOSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000384380789 356633251 /nfs/dbraw/zinc/63/32/51/356633251.db2.gz ODLKSGCDCGRJIM-OAHLLOKOSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1nc(CC2=C[C@@H]([NH3+])C[NH2+]C2)c(C)s1 ZINC000675077772 538514390 /nfs/dbraw/zinc/51/43/90/538514390.db2.gz IJMXVJHEBIVVEJ-SNVBAGLBSA-N 2 2 223.345 1.159 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ccccc2Cl)C[NH2+]C1 ZINC000675079044 538518014 /nfs/dbraw/zinc/51/80/14/538518014.db2.gz VFYJUQCDHYZXAW-NSHDSACASA-N 2 2 222.719 1.739 10 0 BDAELP Cc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)c(C)c1 ZINC000675079439 538518519 /nfs/dbraw/zinc/51/85/19/538518519.db2.gz YVYHJEBHRIAUTP-LBPRGKRZSA-N 2 2 202.301 1.617 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000389553449 356988257 /nfs/dbraw/zinc/98/82/57/356988257.db2.gz QAKJSGHZKGSFEH-GXFFZTMASA-N 2 2 237.322 1.966 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000389553449 356988261 /nfs/dbraw/zinc/98/82/61/356988261.db2.gz QAKJSGHZKGSFEH-GXFFZTMASA-N 2 2 237.322 1.966 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385218951 357017320 /nfs/dbraw/zinc/01/73/20/357017320.db2.gz GFXBNDADPAPSSF-BSKOKIOFSA-N 2 2 202.729 1.670 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385218951 357017322 /nfs/dbraw/zinc/01/73/22/357017322.db2.gz GFXBNDADPAPSSF-BSKOKIOFSA-N 2 2 202.729 1.670 10 0 BDAELP Cc1nc(N[C@@H]2C[NH2+]CC[C@H]2C)cc[nH+]1 ZINC000389734547 357020963 /nfs/dbraw/zinc/02/09/63/357020963.db2.gz SUKGDDCRZXDPJI-PSASIEDQSA-N 2 2 206.293 1.195 10 0 BDAELP C[N@@H+]1CCSC[C@H]1[C@H]([NH3+])C(C)(C)C ZINC000300052948 357180386 /nfs/dbraw/zinc/18/03/86/357180386.db2.gz LQQWGSUQSARKGW-IUCAKERBSA-N 2 2 202.367 1.407 10 0 BDAELP C[N@H+]1CCSC[C@H]1[C@H]([NH3+])C(C)(C)C ZINC000300052948 357180392 /nfs/dbraw/zinc/18/03/92/357180392.db2.gz LQQWGSUQSARKGW-IUCAKERBSA-N 2 2 202.367 1.407 10 0 BDAELP CC[N@H+](CC(C)C)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948439 538890959 /nfs/dbraw/zinc/89/09/59/538890959.db2.gz NYSOCVSXRGUBIP-WDEREUQCSA-N 2 2 202.317 1.664 10 0 BDAELP CC[N@@H+](CC(C)C)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948439 538890961 /nfs/dbraw/zinc/89/09/61/538890961.db2.gz NYSOCVSXRGUBIP-WDEREUQCSA-N 2 2 202.317 1.664 10 0 BDAELP C[C@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000235681357 357927983 /nfs/dbraw/zinc/92/79/83/357927983.db2.gz IMHSANBPQMKSOC-JSGCOSHPSA-N 2 2 234.343 1.735 10 0 BDAELP C[C@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000235681357 357927984 /nfs/dbraw/zinc/92/79/84/357927984.db2.gz IMHSANBPQMKSOC-JSGCOSHPSA-N 2 2 234.343 1.735 10 0 BDAELP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386532604 357930673 /nfs/dbraw/zinc/93/06/73/357930673.db2.gz AXHSHZFOCOEUEI-XHNCKOQMSA-N 2 2 240.269 1.030 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000160300234 357972055 /nfs/dbraw/zinc/97/20/55/357972055.db2.gz CJZKVVQLDQRXLX-VHSXEESVSA-N 2 2 221.304 1.264 10 0 BDAELP COc1ccc[nH+]c1N[C@H](C)CCC[NH3+] ZINC000160377919 358399586 /nfs/dbraw/zinc/39/95/86/358399586.db2.gz CWXDAIQEXAHRRZ-SECBINFHSA-N 2 2 209.293 1.630 10 0 BDAELP CC1(C[N@@H+]2CCC=C(Cl)C2)C[NH2+]C1 ZINC000404380912 359606284 /nfs/dbraw/zinc/60/62/84/359606284.db2.gz NDFSZXWZAQESRV-UHFFFAOYSA-N 2 2 200.713 1.424 10 0 BDAELP CC1(C[N@H+]2CCC=C(Cl)C2)C[NH2+]C1 ZINC000404380912 359606293 /nfs/dbraw/zinc/60/62/93/359606293.db2.gz NDFSZXWZAQESRV-UHFFFAOYSA-N 2 2 200.713 1.424 10 0 BDAELP CC[C@H](C)C[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000309236857 491146516 /nfs/dbraw/zinc/14/65/16/491146516.db2.gz XRKHNUSBWGTSOW-RYUDHWBXSA-N 2 2 214.353 1.079 10 0 BDAELP CC[C@H](C)C[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000309236857 491146517 /nfs/dbraw/zinc/14/65/17/491146517.db2.gz XRKHNUSBWGTSOW-RYUDHWBXSA-N 2 2 214.353 1.079 10 0 BDAELP CC(C)(C)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665425 360267692 /nfs/dbraw/zinc/26/76/92/360267692.db2.gz FZKRSOQYNSVQOJ-CYBMUJFWSA-N 2 2 240.391 1.687 10 0 BDAELP CC(C)(C)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665425 360267698 /nfs/dbraw/zinc/26/76/98/360267698.db2.gz FZKRSOQYNSVQOJ-CYBMUJFWSA-N 2 2 240.391 1.687 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]Cc2ccncc2)[C@@H](C)C1 ZINC000309445680 491148426 /nfs/dbraw/zinc/14/84/26/491148426.db2.gz JRSXBEYYCYKATH-AAEUAGOBSA-N 2 2 219.332 1.511 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]Cc2ccncc2)[C@@H](C)C1 ZINC000309445680 491148427 /nfs/dbraw/zinc/14/84/27/491148427.db2.gz JRSXBEYYCYKATH-AAEUAGOBSA-N 2 2 219.332 1.511 10 0 BDAELP C[C@@H]1C[NH2+][C@@](C)([C@H]2CC[NH2+]C2)SC1 ZINC000306580325 360470721 /nfs/dbraw/zinc/47/07/21/360470721.db2.gz OKLCNHVYDSXTNV-KXUCPTDWSA-N 2 2 200.351 1.285 10 0 BDAELP C[C@@H]1CCC[N@H+](C2CSC2)[C@H]1C[NH3+] ZINC000306577596 360466725 /nfs/dbraw/zinc/46/67/25/360466725.db2.gz LKWGWQOOUGDPCS-SCZZXKLOSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CCC[N@@H+](C2CSC2)[C@H]1C[NH3+] ZINC000306577596 360466731 /nfs/dbraw/zinc/46/67/31/360466731.db2.gz LKWGWQOOUGDPCS-SCZZXKLOSA-N 2 2 200.351 1.161 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000309489125 491149619 /nfs/dbraw/zinc/14/96/19/491149619.db2.gz WMEPTESSYSLOHQ-MWLCHTKSSA-N 2 2 220.320 1.537 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000309489125 491149620 /nfs/dbraw/zinc/14/96/20/491149620.db2.gz WMEPTESSYSLOHQ-MWLCHTKSSA-N 2 2 220.320 1.537 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000381155201 360877552 /nfs/dbraw/zinc/87/75/52/360877552.db2.gz CRJCMBGTKRTLNX-TXEJJXNPSA-N 2 2 247.342 1.526 10 0 BDAELP CC(C)(C)[C@@H](C[NH3+])[NH+]1CCSCC1 ZINC000041051538 361206464 /nfs/dbraw/zinc/20/64/64/361206464.db2.gz DHFURAJBYZBEML-SECBINFHSA-N 2 2 202.367 1.409 10 0 BDAELP COCC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000151849612 201186012 /nfs/dbraw/zinc/18/60/12/201186012.db2.gz NSZDJLNJJSLDKS-AGIUHOORSA-N 2 2 228.380 1.730 10 0 BDAELP COCC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000151849612 201186014 /nfs/dbraw/zinc/18/60/14/201186014.db2.gz NSZDJLNJJSLDKS-AGIUHOORSA-N 2 2 228.380 1.730 10 0 BDAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCC1 ZINC000049333957 181344597 /nfs/dbraw/zinc/34/45/97/181344597.db2.gz FGRYLUWYFBTGTN-AGUYFDCRSA-N 3 2 237.391 1.426 10 0 BDAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCC1 ZINC000049333957 181344599 /nfs/dbraw/zinc/34/45/99/181344599.db2.gz FGRYLUWYFBTGTN-AGUYFDCRSA-N 3 2 237.391 1.426 10 0 BDAELP CO[C@H]1C[N@H+](CCOCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364657 364083476 /nfs/dbraw/zinc/08/34/76/364083476.db2.gz FXQGTXFHVLXLCB-OLZOCXBDSA-N 2 2 244.379 1.097 10 0 BDAELP CO[C@H]1C[N@@H+](CCOCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364657 364083479 /nfs/dbraw/zinc/08/34/79/364083479.db2.gz FXQGTXFHVLXLCB-OLZOCXBDSA-N 2 2 244.379 1.097 10 0 BDAELP [NH3+]CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000037013485 181369105 /nfs/dbraw/zinc/36/91/05/181369105.db2.gz QQIPIFGZGQNYID-UHFFFAOYSA-N 2 2 230.271 1.160 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1nccs1 ZINC000252761075 368053416 /nfs/dbraw/zinc/05/34/16/368053416.db2.gz MTBQSRAYFWGPSK-DTWKUNHWSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1nccs1 ZINC000252761075 368053426 /nfs/dbraw/zinc/05/34/26/368053426.db2.gz MTBQSRAYFWGPSK-DTWKUNHWSA-N 2 2 211.334 1.355 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000252981004 368177166 /nfs/dbraw/zinc/17/71/66/368177166.db2.gz PFCAQOCCFCFEBA-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000252981004 368177171 /nfs/dbraw/zinc/17/71/71/368177171.db2.gz PFCAQOCCFCFEBA-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000113266798 370396587 /nfs/dbraw/zinc/39/65/87/370396587.db2.gz GLAQIDKFCYMXLT-OAHLLOKOSA-N 2 2 248.370 1.805 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccccc2C)C1 ZINC000113266798 370396590 /nfs/dbraw/zinc/39/65/90/370396590.db2.gz GLAQIDKFCYMXLT-OAHLLOKOSA-N 2 2 248.370 1.805 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000389853842 371177901 /nfs/dbraw/zinc/17/79/01/371177901.db2.gz ZJWHCXYBUMTQMD-YFKTTZPYSA-N 2 2 228.405 1.810 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H]2SC)C1 ZINC000389853842 371177904 /nfs/dbraw/zinc/17/79/04/371177904.db2.gz ZJWHCXYBUMTQMD-YFKTTZPYSA-N 2 2 228.405 1.810 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@@H+]1[C@@H]1CC[NH2+]C1 ZINC000132424186 371819271 /nfs/dbraw/zinc/81/92/71/371819271.db2.gz FZCORUICCUJOBP-KXUCPTDWSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@H+]1[C@@H]1CC[NH2+]C1 ZINC000132424186 371819275 /nfs/dbraw/zinc/81/92/75/371819275.db2.gz FZCORUICCUJOBP-KXUCPTDWSA-N 2 2 200.351 1.174 10 0 BDAELP CC[C@H]([NH3+])[C@@H](CO)[N@H+](C)Cc1ccccc1 ZINC000163211533 371953063 /nfs/dbraw/zinc/95/30/63/371953063.db2.gz RFVXHHBFPMCKHD-QWHCGFSZSA-N 2 2 222.332 1.217 10 0 BDAELP CC[C@H]([NH3+])[C@@H](CO)[N@@H+](C)Cc1ccccc1 ZINC000163211533 371953066 /nfs/dbraw/zinc/95/30/66/371953066.db2.gz RFVXHHBFPMCKHD-QWHCGFSZSA-N 2 2 222.332 1.217 10 0 BDAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCSC(C)(C)C1 ZINC000133322370 372022654 /nfs/dbraw/zinc/02/26/54/372022654.db2.gz HBKGHVNJMKYDIG-QMMMGPOBSA-N 2 2 215.366 1.528 10 0 BDAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CCSC(C)(C)C1 ZINC000133322370 372022657 /nfs/dbraw/zinc/02/26/57/372022657.db2.gz HBKGHVNJMKYDIG-QMMMGPOBSA-N 2 2 215.366 1.528 10 0 BDAELP C[C@@H](c1cncs1)[NH+]1CCC([NH3+])CC1 ZINC000229144157 372122044 /nfs/dbraw/zinc/12/20/44/372122044.db2.gz FQFKQFYIDPFLFG-QMMMGPOBSA-N 2 2 211.334 1.627 10 0 BDAELP CSC(C)(C)C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000229143429 372122275 /nfs/dbraw/zinc/12/22/75/372122275.db2.gz QSRWKTROOPCONZ-JTQLQIEISA-N 2 2 216.394 1.812 10 0 BDAELP CSC(C)(C)C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000229143429 372122277 /nfs/dbraw/zinc/12/22/77/372122277.db2.gz QSRWKTROOPCONZ-JTQLQIEISA-N 2 2 216.394 1.812 10 0 BDAELP C[C@H]1C[N@H+](Cc2cscn2)C[C@@H]1C[NH3+] ZINC000631841166 372637716 /nfs/dbraw/zinc/63/77/16/372637716.db2.gz YYNMAWPCQPYAPE-IUCAKERBSA-N 2 2 211.334 1.170 10 0 BDAELP C[C@H]1C[N@@H+](Cc2cscn2)C[C@@H]1C[NH3+] ZINC000631841166 372637723 /nfs/dbraw/zinc/63/77/23/372637723.db2.gz YYNMAWPCQPYAPE-IUCAKERBSA-N 2 2 211.334 1.170 10 0 BDAELP O[C@H]1CCCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000054126921 183231200 /nfs/dbraw/zinc/23/12/00/183231200.db2.gz OWQXDIMTOXFOCO-OLZOCXBDSA-N 2 2 226.364 1.365 10 0 BDAELP O[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575098 183231640 /nfs/dbraw/zinc/23/16/40/183231640.db2.gz DGAXCJOMFRZPEO-STQMWFEESA-N 2 2 226.364 1.365 10 0 BDAELP CCC[N@H+](CC(=O)NC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042406216 169095736 /nfs/dbraw/zinc/09/57/36/169095736.db2.gz HOLHDTFFFTXTCI-NWDGAFQWSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[N@@H+](CC(=O)NC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042406216 169095739 /nfs/dbraw/zinc/09/57/39/169095739.db2.gz HOLHDTFFFTXTCI-NWDGAFQWSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[N@H+](Cc1cnccn1)C1CC[NH2+]CC1 ZINC000037538998 169179356 /nfs/dbraw/zinc/17/93/56/169179356.db2.gz VKSZHHMQPWFMOJ-UHFFFAOYSA-N 2 2 234.347 1.441 10 0 BDAELP CCC[N@@H+](Cc1cnccn1)C1CC[NH2+]CC1 ZINC000037538998 169179357 /nfs/dbraw/zinc/17/93/57/169179357.db2.gz VKSZHHMQPWFMOJ-UHFFFAOYSA-N 2 2 234.347 1.441 10 0 BDAELP c1cc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000044722267 183337948 /nfs/dbraw/zinc/33/79/48/183337948.db2.gz MIPSZANEOSNRQG-CYBMUJFWSA-N 2 2 231.343 1.450 10 0 BDAELP c1cc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000044722267 183337949 /nfs/dbraw/zinc/33/79/49/183337949.db2.gz MIPSZANEOSNRQG-CYBMUJFWSA-N 2 2 231.343 1.450 10 0 BDAELP CCCNC(=O)[C@@H](C)[N@H+](CC[NH3+])C1CCCC1 ZINC000070975589 169241513 /nfs/dbraw/zinc/24/15/13/169241513.db2.gz HOTAJSCACVRULU-LLVKDONJSA-N 2 2 241.379 1.104 10 0 BDAELP CCCNC(=O)[C@@H](C)[N@@H+](CC[NH3+])C1CCCC1 ZINC000070975589 169241515 /nfs/dbraw/zinc/24/15/15/169241515.db2.gz HOTAJSCACVRULU-LLVKDONJSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[NH2+]C[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515196 169263115 /nfs/dbraw/zinc/26/31/15/169263115.db2.gz ZWYNBUOWDACDIH-ZDUSSCGKSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+]C[C@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572267 169263496 /nfs/dbraw/zinc/26/34/96/169263496.db2.gz HLVXHVKULKAFAF-STQMWFEESA-N 2 2 246.395 1.358 10 0 BDAELP CCC[NH2+]C[C@H](C)[N@@H+](CCOC)[C@@H](C)COC ZINC000052572267 169263497 /nfs/dbraw/zinc/26/34/97/169263497.db2.gz HLVXHVKULKAFAF-STQMWFEESA-N 2 2 246.395 1.358 10 0 BDAELP c1ccc(C[NH+]2CCC[NH2+]CCC2)nc1 ZINC000049666532 183399673 /nfs/dbraw/zinc/39/96/73/183399673.db2.gz VUFURDCHEHBXSX-UHFFFAOYSA-N 2 2 205.305 1.267 10 0 BDAELP CCC[NH2+][C@@H](C[NH3+])c1ccc2c(c1)OCCO2 ZINC000050270629 169279677 /nfs/dbraw/zinc/27/96/77/169279677.db2.gz YECRJZZQMLDWSK-NSHDSACASA-N 2 2 236.315 1.457 10 0 BDAELP CCC[NH2+][C@@H]1CC[N@H+](CCC[NH+](C)C)C[C@@H]1C ZINC000049710813 169282079 /nfs/dbraw/zinc/28/20/79/169282079.db2.gz GZOVRLNKKPRKDQ-UONOGXRCSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+][C@@H]1CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C ZINC000049710813 169282081 /nfs/dbraw/zinc/28/20/81/169282081.db2.gz GZOVRLNKKPRKDQ-UONOGXRCSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425198 169292043 /nfs/dbraw/zinc/29/20/43/169292043.db2.gz YRXPLDNTSCBESJ-XDQVBPFNSA-N 2 2 240.391 1.731 10 0 BDAELP CCC[NH2+][C@H]1CCOC[C@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425198 169292044 /nfs/dbraw/zinc/29/20/44/169292044.db2.gz YRXPLDNTSCBESJ-XDQVBPFNSA-N 2 2 240.391 1.731 10 0 BDAELP CCCNc1[nH+]cnc2c1cnn2CC[NH+](C)C ZINC000062367056 169296518 /nfs/dbraw/zinc/29/65/18/169296518.db2.gz QSKGMOFZEXFGSB-UHFFFAOYSA-N 2 2 248.334 1.210 10 0 BDAELP CCC[C@@H]([NH3+])c1nc2c(s1)C[N@H+](C)CC2 ZINC000041059333 169394207 /nfs/dbraw/zinc/39/42/07/169394207.db2.gz SPFBTWLGWIYPEJ-MRVPVSSYSA-N 2 2 225.361 1.931 10 0 BDAELP CCC[C@@H]([NH3+])c1nc2c(s1)C[N@@H+](C)CC2 ZINC000041059333 169394209 /nfs/dbraw/zinc/39/42/09/169394209.db2.gz SPFBTWLGWIYPEJ-MRVPVSSYSA-N 2 2 225.361 1.931 10 0 BDAELP [NH3+]CCc1c[nH+]c2cccc(Br)n12 ZINC000036291675 383892348 /nfs/dbraw/zinc/89/23/48/383892348.db2.gz QSUCAQSTCFNYJM-UHFFFAOYSA-N 2 2 240.104 1.598 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(Br)o1 ZINC000050269837 383990657 /nfs/dbraw/zinc/99/06/57/383990657.db2.gz ISOZYOFWCPGCHW-RXMQYKEDSA-N 2 2 219.082 1.261 10 0 BDAELP C[N@H+]1CCSC[C@@H]1c1nc(C[NH3+])cs1 ZINC000234331058 384058004 /nfs/dbraw/zinc/05/80/04/384058004.db2.gz KFDASGBIXJNDNA-MRVPVSSYSA-N 2 2 229.374 1.322 10 0 BDAELP Cc1c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cnn1C ZINC000093649967 384259299 /nfs/dbraw/zinc/25/92/99/384259299.db2.gz OGRAEAJQZMFMNZ-JTQLQIEISA-N 2 2 233.319 1.103 10 0 BDAELP [NH3+]C[C@H]1[NH2+]CCc2cc(Br)ccc21 ZINC000097757604 384276739 /nfs/dbraw/zinc/27/67/39/384276739.db2.gz GZGHFWYCOLUXKN-SNVBAGLBSA-N 2 2 241.132 1.595 10 0 BDAELP Clc1nccnc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000095070374 384337486 /nfs/dbraw/zinc/33/74/86/384337486.db2.gz PSTYSAHGBKRRSS-VIFPVBQESA-N 2 2 240.738 1.219 10 0 BDAELP C[N@H+](Cc1ccc(Cl)nn1)C1CC[NH2+]CC1 ZINC000095070747 384338364 /nfs/dbraw/zinc/33/83/64/384338364.db2.gz NRMTWFKYEWDZQY-UHFFFAOYSA-N 2 2 240.738 1.314 10 0 BDAELP C[N@@H+](Cc1ccc(Cl)nn1)C1CC[NH2+]CC1 ZINC000095070747 384338376 /nfs/dbraw/zinc/33/83/76/384338376.db2.gz NRMTWFKYEWDZQY-UHFFFAOYSA-N 2 2 240.738 1.314 10 0 BDAELP C[N@@H+](Cc1cncs1)C[C@H]1CC[NH2+]C1 ZINC000095071299 384340561 /nfs/dbraw/zinc/34/05/61/384340561.db2.gz DQVWQIWRUAJHLN-VIFPVBQESA-N 2 2 211.334 1.184 10 0 BDAELP C[N@H+](Cc1cncs1)C[C@H]1CC[NH2+]C1 ZINC000095071299 384340565 /nfs/dbraw/zinc/34/05/65/384340565.db2.gz DQVWQIWRUAJHLN-VIFPVBQESA-N 2 2 211.334 1.184 10 0 BDAELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)c1ccc[nH]1 ZINC000095072253 384343268 /nfs/dbraw/zinc/34/32/68/384343268.db2.gz ACAJSXNPYXYJEC-NXEZZACHSA-N 2 2 221.304 1.057 10 0 BDAELP Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)cc[nH+]1 ZINC000335598868 384364495 /nfs/dbraw/zinc/36/44/95/384364495.db2.gz YLFJGZAENGUQNJ-PWSUYJOCSA-N 2 2 233.315 1.139 10 0 BDAELP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068333 384329893 /nfs/dbraw/zinc/32/98/93/384329893.db2.gz MPWIZPYCHBDIQE-MNOVXSKESA-N 2 2 207.321 1.807 10 0 BDAELP C[C@@H]([NH3+])[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000047845232 384469059 /nfs/dbraw/zinc/46/90/59/384469059.db2.gz KPXSLYDRCRQFRW-HZGVNTEJSA-N 2 2 229.121 1.796 10 0 BDAELP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000334818859 384580316 /nfs/dbraw/zinc/58/03/16/384580316.db2.gz GZTJSDBQZALGMO-YPMHNXCESA-N 2 2 219.332 1.620 10 0 BDAELP CSC1(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000309878747 384687095 /nfs/dbraw/zinc/68/70/95/384687095.db2.gz UMXLGANSERYPHK-SECBINFHSA-N 2 2 237.372 1.752 10 0 BDAELP CSC1(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000309878747 384687102 /nfs/dbraw/zinc/68/71/02/384687102.db2.gz UMXLGANSERYPHK-SECBINFHSA-N 2 2 237.372 1.752 10 0 BDAELP CSC1(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000309878748 384688428 /nfs/dbraw/zinc/68/84/28/384688428.db2.gz UMXLGANSERYPHK-VIFPVBQESA-N 2 2 237.372 1.752 10 0 BDAELP CSC1(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000309878748 384688432 /nfs/dbraw/zinc/68/84/32/384688432.db2.gz UMXLGANSERYPHK-VIFPVBQESA-N 2 2 237.372 1.752 10 0 BDAELP CC[NH+](CC)CC[NH2+]CC1CCOCC1 ZINC000052171865 384722147 /nfs/dbraw/zinc/72/21/47/384722147.db2.gz KHEMYCKMNSDXRG-UHFFFAOYSA-N 2 2 214.353 1.344 10 0 BDAELP Cc1ccc(N[C@@H](C)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000334848768 384744252 /nfs/dbraw/zinc/74/42/52/384744252.db2.gz KESURLCBZSTPTD-QWRGUYRKSA-N 2 2 205.305 1.800 10 0 BDAELP C[C@@H]([NH+]=c1[nH]c2ccccc2[nH]1)[C@H](C)[NH3+] ZINC000336097134 384887429 /nfs/dbraw/zinc/88/74/29/384887429.db2.gz SOXJPYCZCCUBAS-JGVFFNPUSA-N 2 2 204.277 1.132 10 0 BDAELP CN(CC1CC[NH2+]CC1)c1cccc[nH+]1 ZINC000086703938 385041156 /nfs/dbraw/zinc/04/11/56/385041156.db2.gz XEXWGIMHPKSWOG-UHFFFAOYSA-N 2 2 205.305 1.517 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000414539786 385706219 /nfs/dbraw/zinc/70/62/19/385706219.db2.gz FAVBIVIDOHZLCN-ZDUSSCGKSA-N 2 2 244.342 1.747 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000414539786 385706220 /nfs/dbraw/zinc/70/62/20/385706220.db2.gz FAVBIVIDOHZLCN-ZDUSSCGKSA-N 2 2 244.342 1.747 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccccn1 ZINC000396584865 386777870 /nfs/dbraw/zinc/77/78/70/386777870.db2.gz QSPPUQGHUUGJJR-MDZLAQPJSA-N 2 2 219.332 1.873 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1C[Si](C)(C)C ZINC000575455494 387026732 /nfs/dbraw/zinc/02/67/32/387026732.db2.gz JPQCVHFKDRISPQ-ZJUUUORDSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1C[Si](C)(C)C ZINC000575455494 387026737 /nfs/dbraw/zinc/02/67/37/387026737.db2.gz JPQCVHFKDRISPQ-ZJUUUORDSA-N 2 2 200.402 1.675 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336268221 387101294 /nfs/dbraw/zinc/10/12/94/387101294.db2.gz PNLMLLRGHTUORO-QWHCGFSZSA-N 2 2 248.374 1.648 10 0 BDAELP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]2C[NH3+])CS1 ZINC000575514059 387387261 /nfs/dbraw/zinc/38/72/61/387387261.db2.gz IQXHJDBYPGVOKN-BBBLOLIVSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1CC[C@H]([N@H+]2CC[C@@H]2C[NH3+])CS1 ZINC000575514059 387387263 /nfs/dbraw/zinc/38/72/63/387387263.db2.gz IQXHJDBYPGVOKN-BBBLOLIVSA-N 2 2 200.351 1.304 10 0 BDAELP CC(C)[N@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637948 387501586 /nfs/dbraw/zinc/50/15/86/387501586.db2.gz OCQFVVQXXBUIAZ-AVGNSLFASA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085637948 387501592 /nfs/dbraw/zinc/50/15/92/387501592.db2.gz OCQFVVQXXBUIAZ-AVGNSLFASA-N 2 2 240.391 1.730 10 0 BDAELP COC[C@H]([NH2+][C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000126355799 387679282 /nfs/dbraw/zinc/67/92/82/387679282.db2.gz NAFVCNBVTVYHJQ-KGLIPLIRSA-N 2 2 242.407 1.977 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@H]1C ZINC000245940284 387997026 /nfs/dbraw/zinc/99/70/26/387997026.db2.gz MHGYYWKLRYONNM-YNEHKIRRSA-N 2 2 228.380 1.730 10 0 BDAELP COc1ccc[nH+]c1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000165736367 388253194 /nfs/dbraw/zinc/25/31/94/388253194.db2.gz ZCPHAMKWGGDQKB-BDAKNGLRSA-N 2 2 209.293 1.628 10 0 BDAELP C[N@H+](CC[NH3+])C[C@H]1CCCCC1(F)F ZINC000327506686 388376493 /nfs/dbraw/zinc/37/64/93/388376493.db2.gz PZMOFTKGDYQMEZ-SECBINFHSA-N 2 2 206.280 1.702 10 0 BDAELP C[N@@H+](CC[NH3+])C[C@H]1CCCCC1(F)F ZINC000327506686 388376496 /nfs/dbraw/zinc/37/64/96/388376496.db2.gz PZMOFTKGDYQMEZ-SECBINFHSA-N 2 2 206.280 1.702 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000328371076 388412898 /nfs/dbraw/zinc/41/28/98/388412898.db2.gz SDRSFUAJRAXDRK-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000328371076 388412900 /nfs/dbraw/zinc/41/29/00/388412900.db2.gz SDRSFUAJRAXDRK-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP C[C@H]1CC[C@@H](C[NH3+])CN1c1cccc[nH+]1 ZINC000053704263 132363152 /nfs/dbraw/zinc/36/31/52/132363152.db2.gz UATXMXIETOYYOF-QWRGUYRKSA-N 2 2 205.305 1.645 10 0 BDAELP CC[C@H](C)[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035367797 132338330 /nfs/dbraw/zinc/33/83/30/132338330.db2.gz MPPZSCAFGLPSTB-NSHDSACASA-N 2 2 234.347 1.584 10 0 BDAELP [NH3+][C@@H]1CCC[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040431801 132347543 /nfs/dbraw/zinc/34/75/43/132347543.db2.gz WYYOYWWJTSGFQN-CABCVRRESA-N 2 2 245.370 1.688 10 0 BDAELP C[NH+]1CCN(c2cc(C(C)(C)C)[nH+]c(N)n2)CC1 ZINC000040952245 132348805 /nfs/dbraw/zinc/34/88/05/132348805.db2.gz BQCKWNHOLCQFLT-UHFFFAOYSA-N 2 2 249.362 1.108 10 0 BDAELP C[C@@H]1CCCN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051396205 132360160 /nfs/dbraw/zinc/36/01/60/132360160.db2.gz MOFRNFVVIIPPPL-SNVBAGLBSA-N 2 2 205.305 1.777 10 0 BDAELP Cc1nc(N2CCCC[C@@H]2[C@@H](C)[NH3+])cc[nH+]1 ZINC000063196772 132389400 /nfs/dbraw/zinc/38/94/00/132389400.db2.gz WPFYDXHGNBJXPB-MWLCHTKSSA-N 2 2 220.320 1.491 10 0 BDAELP Cc1nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])cc[nH+]1 ZINC000235370799 132395414 /nfs/dbraw/zinc/39/54/14/132395414.db2.gz XJNIPJQOMWAMAE-MWLCHTKSSA-N 2 2 220.320 1.349 10 0 BDAELP c1cn(CCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000183162873 134348789 /nfs/dbraw/zinc/34/87/89/134348789.db2.gz QWCFHZPSLGMZAS-UONOGXRCSA-N 2 2 249.358 1.917 10 0 BDAELP C[C@@H]1CCC[N@H+](CCC(F)(F)F)[C@H]1C[NH3+] ZINC000252107732 135083847 /nfs/dbraw/zinc/08/38/47/135083847.db2.gz HHIFTYZJTQGZSF-BDAKNGLRSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@@H]1CCC[N@@H+](CCC(F)(F)F)[C@H]1C[NH3+] ZINC000252107732 135083849 /nfs/dbraw/zinc/08/38/49/135083849.db2.gz HHIFTYZJTQGZSF-BDAKNGLRSA-N 2 2 224.270 1.998 10 0 BDAELP Cc1ncccc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261554621 135194581 /nfs/dbraw/zinc/19/45/81/135194581.db2.gz PCKFAUFDMGWGKK-FZMZJTMJSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1ncccc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261554621 135194583 /nfs/dbraw/zinc/19/45/83/135194583.db2.gz PCKFAUFDMGWGKK-FZMZJTMJSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1nc(N2CC[C@@H]([NH3+])C(C)(C)C2)cc[nH+]1 ZINC000261575050 135216781 /nfs/dbraw/zinc/21/67/81/135216781.db2.gz JODMKHXDFOJBOT-SNVBAGLBSA-N 2 2 220.320 1.349 10 0 BDAELP CCC1(C[N@@H+]2CCC[NH2+]CC2)CCOCC1 ZINC000261578242 135219085 /nfs/dbraw/zinc/21/90/85/135219085.db2.gz LPPJYWUTBQTUEB-UHFFFAOYSA-N 2 2 226.364 1.489 10 0 BDAELP CCC1(C[N@H+]2CCC[NH2+]CC2)CCOCC1 ZINC000261578242 135219087 /nfs/dbraw/zinc/21/90/87/135219087.db2.gz LPPJYWUTBQTUEB-UHFFFAOYSA-N 2 2 226.364 1.489 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000335305473 136022237 /nfs/dbraw/zinc/02/22/37/136022237.db2.gz WRGSTXKOPZEFSZ-MNOVXSKESA-N 2 2 222.336 1.243 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]cn1C ZINC000177179084 397790378 /nfs/dbraw/zinc/79/03/78/397790378.db2.gz PAWGAFFTQPEJKW-GFCCVEGCSA-N 2 2 236.363 1.336 10 0 BDAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]cn1C ZINC000177179084 397790382 /nfs/dbraw/zinc/79/03/82/397790382.db2.gz PAWGAFFTQPEJKW-GFCCVEGCSA-N 2 2 236.363 1.336 10 0 BDAELP CC(C)C[NH2+]C[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000062325212 167007193 /nfs/dbraw/zinc/00/71/93/167007193.db2.gz JNWCEBUECMWITG-LBPRGKRZSA-N 2 2 236.363 1.333 10 0 BDAELP CC(C)OCC[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC000049261228 167237839 /nfs/dbraw/zinc/23/78/39/167237839.db2.gz ANWZFXGZJJLOPG-WDEREUQCSA-N 2 2 200.326 1.223 10 0 BDAELP CC(C)OCC[N@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC000049261228 167237841 /nfs/dbraw/zinc/23/78/41/167237841.db2.gz ANWZFXGZJJLOPG-WDEREUQCSA-N 2 2 200.326 1.223 10 0 BDAELP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000394511245 410804777 /nfs/dbraw/zinc/80/47/77/410804777.db2.gz ZCLFSFWYGZBVQM-MNOVXSKESA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000394511245 410804782 /nfs/dbraw/zinc/80/47/82/410804782.db2.gz ZCLFSFWYGZBVQM-MNOVXSKESA-N 2 2 248.317 1.471 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000303978887 167105119 /nfs/dbraw/zinc/10/51/19/167105119.db2.gz NAZZMEBJMUJIKZ-UHFFFAOYSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCC2(C1)CCOCC2 ZINC000303978887 167105120 /nfs/dbraw/zinc/10/51/20/167105120.db2.gz NAZZMEBJMUJIKZ-UHFFFAOYSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC000053649084 167113459 /nfs/dbraw/zinc/11/34/59/167113459.db2.gz WPQDRQSRGSOETE-ZDUSSCGKSA-N 2 2 236.363 1.346 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CCC[N@H+]1CCn1cccn1 ZINC000053649084 167113462 /nfs/dbraw/zinc/11/34/62/167113462.db2.gz WPQDRQSRGSOETE-ZDUSSCGKSA-N 2 2 236.363 1.346 10 0 BDAELP CC(C)[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000026443115 167140247 /nfs/dbraw/zinc/14/02/47/167140247.db2.gz STGFCDLAXCCJKK-KBPBESRZSA-N 2 2 240.391 1.875 10 0 BDAELP COc1ccc[nH+]c1NC[C@@H]1CC[NH2+]C1 ZINC000107203708 411132778 /nfs/dbraw/zinc/13/27/78/411132778.db2.gz BKVSHYTXYKMYGW-SECBINFHSA-N 2 2 207.277 1.112 10 0 BDAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000310435239 411238511 /nfs/dbraw/zinc/23/85/11/411238511.db2.gz UISNPUOSNQYVNZ-RYUDHWBXSA-N 2 2 240.347 1.551 10 0 BDAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000310435239 411238513 /nfs/dbraw/zinc/23/85/13/411238513.db2.gz UISNPUOSNQYVNZ-RYUDHWBXSA-N 2 2 240.347 1.551 10 0 BDAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCCO1 ZINC000657308785 411457596 /nfs/dbraw/zinc/45/75/96/411457596.db2.gz BTOSEFMMKOWZOW-PWSUYJOCSA-N 2 2 235.331 1.486 10 0 BDAELP O[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657378224 411487299 /nfs/dbraw/zinc/48/72/99/411487299.db2.gz IUZWYMSLORHAAA-JQWIXIFHSA-N 2 2 235.331 1.080 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000127496844 411492065 /nfs/dbraw/zinc/49/20/65/411492065.db2.gz MRSCMVSLXGKLCE-GHMZBOCLSA-N 2 2 235.331 1.654 10 0 BDAELP CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000328277855 170022093 /nfs/dbraw/zinc/02/20/93/170022093.db2.gz RDAVQLVGTWHWMT-AGIUHOORSA-N 2 2 225.380 1.153 10 0 BDAELP CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000328277855 170022095 /nfs/dbraw/zinc/02/20/95/170022095.db2.gz RDAVQLVGTWHWMT-AGIUHOORSA-N 2 2 225.380 1.153 10 0 BDAELP CC[NH2+]CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000062031696 170113351 /nfs/dbraw/zinc/11/33/51/170113351.db2.gz GCIQNEDQTOQFPQ-UHFFFAOYSA-N 3 2 239.407 1.404 10 0 BDAELP CC[NH2+]CCN(CC)Cc1cn2ccccc2[nH+]1 ZINC000042367517 170113823 /nfs/dbraw/zinc/11/38/23/170113823.db2.gz IAGHZULDBLLEHD-UHFFFAOYSA-N 2 2 246.358 1.766 10 0 BDAELP CC[NH2+]C[C@@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000036950737 170119183 /nfs/dbraw/zinc/11/91/83/170119183.db2.gz HWLJEAWHJRCTMR-LLVKDONJSA-N 2 2 233.315 1.315 10 0 BDAELP CC[NH2+]C[C@H]1CCCCN1CCn1cc[nH+]c1 ZINC000104415993 170122510 /nfs/dbraw/zinc/12/25/10/170122510.db2.gz PEQQYFUSTCEJBC-CYBMUJFWSA-N 2 2 236.363 1.347 10 0 BDAELP CC[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCCCCC1 ZINC000043812253 170152539 /nfs/dbraw/zinc/15/25/39/170152539.db2.gz XCRJYWOFRHHGNA-CHWSQXEVSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@H](CCO)C1C[NH+](Cc2ccccc2)C1 ZINC000095091413 170161337 /nfs/dbraw/zinc/16/13/37/170161337.db2.gz XGIOTCZSTBASQF-OAHLLOKOSA-N 2 2 248.370 1.479 10 0 BDAELP CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095091524 170169139 /nfs/dbraw/zinc/16/91/39/170169139.db2.gz FIMFRDJROGUFBE-CABCVRRESA-N 2 2 248.370 1.479 10 0 BDAELP CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095091524 170169141 /nfs/dbraw/zinc/16/91/41/170169141.db2.gz FIMFRDJROGUFBE-CABCVRRESA-N 2 2 248.370 1.479 10 0 BDAELP CCOC1CC[NH+]([C@@H](C)C[NH2+]CCOC)CC1 ZINC000053494119 170332836 /nfs/dbraw/zinc/33/28/36/170332836.db2.gz LFCCBQXVSRVHQF-LBPRGKRZSA-N 2 2 244.379 1.112 10 0 BDAELP C[N@@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616593116 411895218 /nfs/dbraw/zinc/89/52/18/411895218.db2.gz IAEPEBVZAIQQQZ-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616593116 411895223 /nfs/dbraw/zinc/89/52/23/411895223.db2.gz IAEPEBVZAIQQQZ-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1CC1([NH3+])CCCCC1 ZINC000036326930 171105483 /nfs/dbraw/zinc/10/54/83/171105483.db2.gz HQEPGGIWCCOSTF-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@@H]1COCC[N@H+]1CC1([NH3+])CCCCC1 ZINC000036326930 171105486 /nfs/dbraw/zinc/10/54/86/171105486.db2.gz HQEPGGIWCCOSTF-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052481551 171105694 /nfs/dbraw/zinc/10/56/94/171105694.db2.gz QPONXSRDXAYUEG-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1COCC[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052481551 171105696 /nfs/dbraw/zinc/10/56/96/171105696.db2.gz QPONXSRDXAYUEG-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052481473 171106448 /nfs/dbraw/zinc/10/64/48/171106448.db2.gz MAPZJZOKFMRTJN-SNVBAGLBSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1COCC[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052481473 171106450 /nfs/dbraw/zinc/10/64/50/171106450.db2.gz MAPZJZOKFMRTJN-SNVBAGLBSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C(C)(C)C[NH3+] ZINC000042450410 171108266 /nfs/dbraw/zinc/10/82/66/171108266.db2.gz FRDOSWMIMKVVCK-VHSXEESVSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1C(C)(C)C[NH3+] ZINC000042450410 171108267 /nfs/dbraw/zinc/10/82/67/171108267.db2.gz FRDOSWMIMKVVCK-VHSXEESVSA-N 2 2 200.326 1.223 10 0 BDAELP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240773 412182772 /nfs/dbraw/zinc/18/27/72/412182772.db2.gz SCYXJLMADQPVLM-NXEZZACHSA-N 2 2 225.361 1.936 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240775 412183402 /nfs/dbraw/zinc/18/34/02/412183402.db2.gz SCYXJLMADQPVLM-VHSXEESVSA-N 2 2 225.361 1.936 10 0 BDAELP COCc1csc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000665263636 412207743 /nfs/dbraw/zinc/20/77/43/412207743.db2.gz QSVFOXAUTKJCSC-JTQLQIEISA-N 2 2 226.345 1.346 10 0 BDAELP CCc1[nH+]ccn1Cc1[nH+]ccn1CC ZINC000104302685 172026822 /nfs/dbraw/zinc/02/68/22/172026822.db2.gz ZGGTYYQSHRTASI-UHFFFAOYSA-N 2 2 204.277 1.710 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCO)C1 ZINC000177713338 172029842 /nfs/dbraw/zinc/02/98/42/172029842.db2.gz MTQGJFSFCSFRKE-LLVKDONJSA-N 2 2 223.320 1.075 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000177713338 172029845 /nfs/dbraw/zinc/02/98/45/172029845.db2.gz MTQGJFSFCSFRKE-LLVKDONJSA-N 2 2 223.320 1.075 10 0 BDAELP CN1CC[NH+]([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000019936465 173091995 /nfs/dbraw/zinc/09/19/95/173091995.db2.gz VNBJZMAYOIGXKA-AWEZNQCLSA-N 2 2 233.359 1.324 10 0 BDAELP CN(C)c1[nH+]cccc1N[C@H]1CC[N@H+](C)C1 ZINC000061985873 173155649 /nfs/dbraw/zinc/15/56/49/173155649.db2.gz ISQHIBYHUIDEPS-JTQLQIEISA-N 2 2 220.320 1.264 10 0 BDAELP CN(C)c1[nH+]cccc1N[C@H]1CC[N@@H+](C)C1 ZINC000061985873 173155650 /nfs/dbraw/zinc/15/56/50/173155650.db2.gz ISQHIBYHUIDEPS-JTQLQIEISA-N 2 2 220.320 1.264 10 0 BDAELP CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000042562046 173294963 /nfs/dbraw/zinc/29/49/63/173294963.db2.gz NTHZVLHFGFDNDE-NWDGAFQWSA-N 2 2 249.358 1.792 10 0 BDAELP C[NH2+]CCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000083358578 173348793 /nfs/dbraw/zinc/34/87/93/173348793.db2.gz KYCGMGZIHGKEQY-UHFFFAOYSA-N 2 2 232.249 1.803 10 0 BDAELP C[NH2+]CCC[NH2+]Cc1c(F)cc(F)cc1F ZINC000083358579 173349271 /nfs/dbraw/zinc/34/92/71/173349271.db2.gz OUXAQHNVHVZRRD-UHFFFAOYSA-N 2 2 232.249 1.803 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc(F)cc1 ZINC000039149558 173352839 /nfs/dbraw/zinc/35/28/39/173352839.db2.gz AGCFACNHFBQOKH-UHFFFAOYSA-N 2 2 210.296 1.519 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc(F)cc1 ZINC000039149558 173352840 /nfs/dbraw/zinc/35/28/40/173352840.db2.gz AGCFACNHFBQOKH-UHFFFAOYSA-N 2 2 210.296 1.519 10 0 BDAELP C[NH2+]Cc1cc(C[N@@H+]2CCOC[C@H]2C)c(C)o1 ZINC000052476081 173387338 /nfs/dbraw/zinc/38/73/38/173387338.db2.gz ADBGWDXYYSZWPW-SNVBAGLBSA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1cc(C[N@H+]2CCOC[C@H]2C)c(C)o1 ZINC000052476081 173387340 /nfs/dbraw/zinc/38/73/40/173387340.db2.gz ADBGWDXYYSZWPW-SNVBAGLBSA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1ccnc(-n2c[nH+]c(C)c2C)c1 ZINC000051928461 173391671 /nfs/dbraw/zinc/39/16/71/173391671.db2.gz RVBOAGZEVPWZPO-UHFFFAOYSA-N 2 2 216.288 1.604 10 0 BDAELP C[NH2+]Cc1nc(C[NH+]2CCCCC2)cs1 ZINC000052421126 173395079 /nfs/dbraw/zinc/39/50/79/173395079.db2.gz PELVENNTWHKJTM-UHFFFAOYSA-N 2 2 225.361 1.848 10 0 BDAELP C[NH2+]Cc1oc(C[NH+]2CCOCC2)cc1C ZINC000052378028 173399916 /nfs/dbraw/zinc/39/99/16/173399916.db2.gz IOTSNPFQMWDYLY-UHFFFAOYSA-N 2 2 224.304 1.140 10 0 BDAELP COCC[N@H+](C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000041241209 174283838 /nfs/dbraw/zinc/28/38/38/174283838.db2.gz XCYNDKTYDFJUJH-CYBMUJFWSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@@H+](C)[C@H](C[NH3+])c1ccc(C)cc1 ZINC000041241209 174283840 /nfs/dbraw/zinc/28/38/40/174283840.db2.gz XCYNDKTYDFJUJH-CYBMUJFWSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@H+](C)[C@H](C[NH3+])c1cccc(C)c1 ZINC000041241203 174284040 /nfs/dbraw/zinc/28/40/40/174284040.db2.gz KJGWYJVFISNKKV-CYBMUJFWSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@@H+](C)[C@H](C[NH3+])c1cccc(C)c1 ZINC000041241203 174284041 /nfs/dbraw/zinc/28/40/41/174284041.db2.gz KJGWYJVFISNKKV-CYBMUJFWSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@H+](CC(C)C)[C@H](C[NH3+])c1ccco1 ZINC000042368589 174286918 /nfs/dbraw/zinc/28/69/18/174286918.db2.gz KKFRSPJACHVNKZ-GFCCVEGCSA-N 2 2 240.347 1.884 10 0 BDAELP COCC[N@@H+](CC(C)C)[C@H](C[NH3+])c1ccco1 ZINC000042368589 174286921 /nfs/dbraw/zinc/28/69/21/174286921.db2.gz KKFRSPJACHVNKZ-GFCCVEGCSA-N 2 2 240.347 1.884 10 0 BDAELP COCC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)COC ZINC000042610884 174297224 /nfs/dbraw/zinc/29/72/24/174297224.db2.gz PCQSRSVLTYWFLW-QWHCGFSZSA-N 2 2 246.395 1.343 10 0 BDAELP COCC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)COC ZINC000042610884 174297225 /nfs/dbraw/zinc/29/72/25/174297225.db2.gz PCQSRSVLTYWFLW-QWHCGFSZSA-N 2 2 246.395 1.343 10 0 BDAELP COCC[NH2+]CCC[N@H+](C)Cc1ccoc1C ZINC000053499949 174332400 /nfs/dbraw/zinc/33/24/00/174332400.db2.gz VWXSGOGHPZZPPQ-UHFFFAOYSA-N 2 2 240.347 1.646 10 0 BDAELP COCC[NH2+]CCC[N@@H+](C)Cc1ccoc1C ZINC000053499949 174332401 /nfs/dbraw/zinc/33/24/01/174332401.db2.gz VWXSGOGHPZZPPQ-UHFFFAOYSA-N 2 2 240.347 1.646 10 0 BDAELP COc1cc([C@@H]([NH3+])C[NH3+])c(Cl)cc1O ZINC000072200926 175014144 /nfs/dbraw/zinc/01/41/44/175014144.db2.gz HYXJBXHFZSRMFK-ZETCQYMHSA-N 2 2 216.668 1.013 10 0 BDAELP COc1cc2[nH+]c(CC[NH3+])n(C)c2cc1OC ZINC000011567877 175028181 /nfs/dbraw/zinc/02/81/81/175028181.db2.gz GAZGFABQQZQVSW-UHFFFAOYSA-N 2 2 235.287 1.092 10 0 BDAELP COc1ccc(Cl)c([C@H]([NH3+])C[NH3+])c1F ZINC000044473184 175118841 /nfs/dbraw/zinc/11/88/41/175118841.db2.gz WMXJCQZKMOMLGJ-ZCFIWIBFSA-N 2 2 218.659 1.446 10 0 BDAELP COc1ccc([C@H]([NH3+])C[NH3+])cc1Br ZINC000038052126 175192241 /nfs/dbraw/zinc/19/22/41/175192241.db2.gz NIJXGSNHKAWETB-MRVPVSSYSA-N 2 2 245.120 1.416 10 0 BDAELP COc1cccc(CC[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000057954325 175251588 /nfs/dbraw/zinc/25/15/88/175251588.db2.gz VFOPKMZNTXWVNP-ZDUSSCGKSA-N 2 2 234.343 1.661 10 0 BDAELP COc1cccc(CC[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000057954325 175251589 /nfs/dbraw/zinc/25/15/89/175251589.db2.gz VFOPKMZNTXWVNP-ZDUSSCGKSA-N 2 2 234.343 1.661 10 0 BDAELP COc1cccc([C@H](C[NH3+])n2cc[nH+]c2)c1 ZINC000043028748 175294500 /nfs/dbraw/zinc/29/45/00/175294500.db2.gz UDIYGFIQWQCJIX-LBPRGKRZSA-N 2 2 217.272 1.440 10 0 BDAELP COc1ccccc1OC[C@@](C)(C[NH3+])[NH+](C)C ZINC000019667439 175341265 /nfs/dbraw/zinc/34/12/65/175341265.db2.gz IZNQLNOBWGMEGX-CYBMUJFWSA-N 2 2 238.331 1.353 10 0 BDAELP COc1ccccc1[C@H]([C@H](C)[NH3+])n1cc[nH+]c1 ZINC000043098668 175353956 /nfs/dbraw/zinc/35/39/56/175353956.db2.gz NMGWJQUUZJCFQE-GWCFXTLKSA-N 2 2 231.299 1.828 10 0 BDAELP COc1ccccc1[C@H]([C@@H](C)[NH3+])n1cc[nH+]c1 ZINC000043098670 175354489 /nfs/dbraw/zinc/35/44/89/175354489.db2.gz NMGWJQUUZJCFQE-MFKMUULPSA-N 2 2 231.299 1.828 10 0 BDAELP C[C@@H]([NH3+])[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000042437018 176011341 /nfs/dbraw/zinc/01/13/41/176011341.db2.gz IDVCROSTYCVIPV-ZJUUUORDSA-N 2 2 210.296 1.993 10 0 BDAELP C[C@@H]([NH3+])[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437018 176011342 /nfs/dbraw/zinc/01/13/42/176011342.db2.gz IDVCROSTYCVIPV-ZJUUUORDSA-N 2 2 210.296 1.993 10 0 BDAELP C[C@@H](c1cnccn1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068236 176035967 /nfs/dbraw/zinc/03/59/67/176035967.db2.gz IXNUMGCTEHUPGX-WDEREUQCSA-N 2 2 220.320 1.079 10 0 BDAELP C[C@@H](c1cnccn1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068236 176035968 /nfs/dbraw/zinc/03/59/68/176035968.db2.gz IXNUMGCTEHUPGX-WDEREUQCSA-N 2 2 220.320 1.079 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019265012 176102652 /nfs/dbraw/zinc/10/26/52/176102652.db2.gz KIZSJRADCYCJDP-YPMHNXCESA-N 2 2 219.332 1.813 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019265012 176102654 /nfs/dbraw/zinc/10/26/54/176102654.db2.gz KIZSJRADCYCJDP-YPMHNXCESA-N 2 2 219.332 1.813 10 0 BDAELP C[C@@H]1CCC[C@@](C[NH3+])([NH+]2CCOCC2)C1 ZINC000019511837 176133408 /nfs/dbraw/zinc/13/34/08/176133408.db2.gz ZGOOFFOWCCIXBX-VXGBXAGGSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@@H]1CCC[C@@](CO)([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054765353 176134313 /nfs/dbraw/zinc/13/43/13/176134313.db2.gz DRBFMKLTIBNZQG-ZYHUDNBSSA-N 2 2 223.320 1.441 10 0 BDAELP C[C@@H]1C[NH+](CC2([NH3+])CCCC2)C[C@@H](C)O1 ZINC000037479566 176284906 /nfs/dbraw/zinc/28/49/06/176284906.db2.gz NLEHIOXWNLRPGT-GHMZBOCLSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1CN(Cc2cc[nH+]c(N)c2)C[C@@H]1[NH+](C)C ZINC000125107565 176309258 /nfs/dbraw/zinc/30/92/58/176309258.db2.gz XBZLLOZUQGSBNX-PWSUYJOCSA-N 2 2 234.347 1.046 10 0 BDAELP C[C@@H]1C[N@@H+]([C@H](C[NH3+])CC(C)(C)C)CCO1 ZINC000061839651 176317983 /nfs/dbraw/zinc/31/79/83/176317983.db2.gz GJXJEWBGQQRXMM-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP C[C@@H]1C[N@H+]([C@H](C[NH3+])CC(C)(C)C)CCO1 ZINC000061839651 176317984 /nfs/dbraw/zinc/31/79/84/176317984.db2.gz GJXJEWBGQQRXMM-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP C[C@H](c1cnccn1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068227 177051648 /nfs/dbraw/zinc/05/16/48/177051648.db2.gz HOVQNNDWSVBKSG-VXGBXAGGSA-N 2 2 234.347 1.469 10 0 BDAELP C[C@H](c1cnccn1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068227 177051650 /nfs/dbraw/zinc/05/16/50/177051650.db2.gz HOVQNNDWSVBKSG-VXGBXAGGSA-N 2 2 234.347 1.469 10 0 BDAELP C[C@H](c1ccncc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539553 177051849 /nfs/dbraw/zinc/05/18/49/177051849.db2.gz OJODNIDJVRDYJB-DGCLKSJQSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H](c1ccncc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539553 177051850 /nfs/dbraw/zinc/05/18/50/177051850.db2.gz OJODNIDJVRDYJB-DGCLKSJQSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H](c1nccs1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068239 177054364 /nfs/dbraw/zinc/05/43/64/177054364.db2.gz QIPBCQADTVKWCS-NXEZZACHSA-N 2 2 225.361 1.745 10 0 BDAELP C[C@H](c1nccs1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068239 177054366 /nfs/dbraw/zinc/05/43/66/177054366.db2.gz QIPBCQADTVKWCS-NXEZZACHSA-N 2 2 225.361 1.745 10 0 BDAELP C[C@H]1CC(C)(C)C[C@@](C[NH3+])([NH+]2CCOCC2)C1 ZINC000019435791 177063881 /nfs/dbraw/zinc/06/38/81/177063881.db2.gz YNXXLWSDNICBRK-JSGCOSHPSA-N 2 2 240.391 1.862 10 0 BDAELP C[C@H]1CC[N@H+](CCC[NH+](C)C)CCC[NH2+]1 ZINC000049666092 177161018 /nfs/dbraw/zinc/16/10/18/177161018.db2.gz JDLHKDYZWWPUJM-LBPRGKRZSA-N 3 2 213.369 1.012 10 0 BDAELP C[C@H]1CC[N@@H+](CCC[NH+](C)C)CCC[NH2+]1 ZINC000049666092 177161019 /nfs/dbraw/zinc/16/10/19/177161019.db2.gz JDLHKDYZWWPUJM-LBPRGKRZSA-N 3 2 213.369 1.012 10 0 BDAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037910370 177112175 /nfs/dbraw/zinc/11/21/75/177112175.db2.gz CCVXDQLPXWVMEQ-JQWIXIFHSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037910370 177112177 /nfs/dbraw/zinc/11/21/77/177112177.db2.gz CCVXDQLPXWVMEQ-JQWIXIFHSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CC1CCOCC1 ZINC000052175002 177191123 /nfs/dbraw/zinc/19/11/23/177191123.db2.gz SZZJXARLYXYKJQ-CMPLNLGQSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CC1CCOCC1 ZINC000052175002 177191124 /nfs/dbraw/zinc/19/11/24/177191124.db2.gz SZZJXARLYXYKJQ-CMPLNLGQSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1C1(C[NH3+])CCCC1 ZINC000035783556 177240444 /nfs/dbraw/zinc/24/04/44/177240444.db2.gz MHUZOZIRJVELMG-MNOVXSKESA-N 2 2 212.337 1.367 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1C1(C[NH3+])CCCC1 ZINC000035783556 177240445 /nfs/dbraw/zinc/24/04/45/177240445.db2.gz MHUZOZIRJVELMG-MNOVXSKESA-N 2 2 212.337 1.367 10 0 BDAELP C[C@H]1C[NH+](CC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000037479565 177244939 /nfs/dbraw/zinc/24/49/39/177244939.db2.gz NLEHIOXWNLRPGT-QWRGUYRKSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccccc2C(N)=[NH2+])CCO1 ZINC000019513771 177266745 /nfs/dbraw/zinc/26/67/45/177266745.db2.gz IBJAHKSEKASHLD-JTQLQIEISA-N 2 2 233.315 1.191 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccccc2C(N)=[NH2+])CCO1 ZINC000019513771 177266746 /nfs/dbraw/zinc/26/67/46/177266746.db2.gz IBJAHKSEKASHLD-JTQLQIEISA-N 2 2 233.315 1.191 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675038 177283179 /nfs/dbraw/zinc/28/31/79/177283179.db2.gz GTUTWMINMOXCIY-NSHDSACASA-N 2 2 248.326 1.457 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000061675038 177283180 /nfs/dbraw/zinc/28/31/80/177283180.db2.gz GTUTWMINMOXCIY-NSHDSACASA-N 2 2 248.326 1.457 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341464267 177363813 /nfs/dbraw/zinc/36/38/13/177363813.db2.gz PUFVZFNIWRQZSR-RKQHYHRCSA-N 2 2 240.391 1.730 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341464267 177363816 /nfs/dbraw/zinc/36/38/16/177363816.db2.gz PUFVZFNIWRQZSR-RKQHYHRCSA-N 2 2 240.391 1.730 10 0 BDAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361765 225096749 /nfs/dbraw/zinc/09/67/49/225096749.db2.gz QHEDAYRDLOOGHW-HZSPNIEDSA-N 3 2 239.407 1.448 10 0 BDAELP COc1ccc(N[C@H](C)[C@H]2CCC[NH2+]C2)[nH+]c1 ZINC000234956367 487896753 /nfs/dbraw/zinc/89/67/53/487896753.db2.gz GQLMFIPLTBERCC-MNOVXSKESA-N 2 2 235.331 1.890 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500363 488099207 /nfs/dbraw/zinc/09/92/07/488099207.db2.gz BXFAXYYTXVQARX-FVCCEPFGSA-N 2 2 208.349 1.859 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500363 488099211 /nfs/dbraw/zinc/09/92/11/488099211.db2.gz BXFAXYYTXVQARX-FVCCEPFGSA-N 2 2 208.349 1.859 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000398549587 488221692 /nfs/dbraw/zinc/22/16/92/488221692.db2.gz YVJBFUPUBCQTBB-VXGBXAGGSA-N 2 2 214.353 1.221 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000398549587 488221696 /nfs/dbraw/zinc/22/16/96/488221696.db2.gz YVJBFUPUBCQTBB-VXGBXAGGSA-N 2 2 214.353 1.221 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229332081 491119405 /nfs/dbraw/zinc/11/94/05/491119405.db2.gz XKPFXWRWEXMJQE-STQMWFEESA-N 2 2 238.375 1.901 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCCC2)O1 ZINC000229332081 491119406 /nfs/dbraw/zinc/11/94/06/491119406.db2.gz XKPFXWRWEXMJQE-STQMWFEESA-N 2 2 238.375 1.901 10 0 BDAELP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515197 533834167 /nfs/dbraw/zinc/83/41/67/533834167.db2.gz KJGSXJWNPURUCF-RYUDHWBXSA-N 3 2 225.380 1.058 10 0 BDAELP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400518581 533989117 /nfs/dbraw/zinc/98/91/17/533989117.db2.gz NSQILCKCWNLCNX-FQUUOJAGSA-N 3 2 237.391 1.201 10 0 BDAELP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC[NH2+]C1 ZINC000400518581 533989127 /nfs/dbraw/zinc/98/91/27/533989127.db2.gz NSQILCKCWNLCNX-FQUUOJAGSA-N 3 2 237.391 1.201 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000227838211 535305840 /nfs/dbraw/zinc/30/58/40/535305840.db2.gz MHGYYWKLRYONNM-JHJVBQTASA-N 2 2 228.380 1.730 10 0 BDAELP CC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173779013 535813725 /nfs/dbraw/zinc/81/37/25/535813725.db2.gz PIGTWTSQBYTPTC-QWHCGFSZSA-N 2 2 249.358 1.586 10 0 BDAELP CC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000173779013 535813726 /nfs/dbraw/zinc/81/37/26/535813726.db2.gz PIGTWTSQBYTPTC-QWHCGFSZSA-N 2 2 249.358 1.586 10 0 BDAELP C[NH+]1CCN(c2cc(N)[nH+]c(C(C)(C)C)n2)CC1 ZINC000040953773 536420210 /nfs/dbraw/zinc/42/02/10/536420210.db2.gz HXHXJWQTDRSZKC-UHFFFAOYSA-N 2 2 249.362 1.108 10 0 BDAELP C[C@H]1C[NH2+]C[C@@]12C[N@@H+](C(C)(C)C)CCC2=O ZINC000725245685 538002348 /nfs/dbraw/zinc/00/23/48/538002348.db2.gz LPCQLUWVRAXSLB-GXFFZTMASA-N 2 2 224.348 1.285 10 0 BDAELP C[C@H]1C[NH2+]C[C@@]12C[N@H+](C(C)(C)C)CCC2=O ZINC000725245685 538002353 /nfs/dbraw/zinc/00/23/53/538002353.db2.gz LPCQLUWVRAXSLB-GXFFZTMASA-N 2 2 224.348 1.285 10 0 BDAELP C[C@@H]1C[NH2+]C[C@@]12C[N@@H+](C(C)(C)C)CCC2=O ZINC000725245688 538002699 /nfs/dbraw/zinc/00/26/99/538002699.db2.gz LPCQLUWVRAXSLB-ZWNOBZJWSA-N 2 2 224.348 1.285 10 0 BDAELP C[C@@H]1C[NH2+]C[C@@]12C[N@H+](C(C)(C)C)CCC2=O ZINC000725245688 538002703 /nfs/dbraw/zinc/00/27/03/538002703.db2.gz LPCQLUWVRAXSLB-ZWNOBZJWSA-N 2 2 224.348 1.285 10 0 BDAELP C(C1CC1)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757125689 582500330 /nfs/dbraw/zinc/50/03/30/582500330.db2.gz FKURTMYFNKIDJS-CQSZACIVSA-N 2 2 220.360 1.957 10 0 BDAELP C(C1CC1)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757125689 582500333 /nfs/dbraw/zinc/50/03/33/582500333.db2.gz FKURTMYFNKIDJS-CQSZACIVSA-N 2 2 220.360 1.957 10 0 BDAELP [NH3+]C[C@@H]1CC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC000757140947 582521649 /nfs/dbraw/zinc/52/16/49/582521649.db2.gz CYAWAEFMOATATM-ZJUUUORDSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@@H]1CC[N@H+]1CC[C@H]1CCCC1(F)F ZINC000757140947 582521651 /nfs/dbraw/zinc/52/16/51/582521651.db2.gz CYAWAEFMOATATM-ZJUUUORDSA-N 2 2 218.291 1.845 10 0 BDAELP CC(C)(CC(F)F)C[N@@H+]1CC[C@@H]1C[NH3+] ZINC000757148421 582532803 /nfs/dbraw/zinc/53/28/03/582532803.db2.gz SUZYDUZIARNEFA-MRVPVSSYSA-N 2 2 206.280 1.701 10 0 BDAELP CC(C)(CC(F)F)C[N@H+]1CC[C@@H]1C[NH3+] ZINC000757148421 582532806 /nfs/dbraw/zinc/53/28/06/582532806.db2.gz SUZYDUZIARNEFA-MRVPVSSYSA-N 2 2 206.280 1.701 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])c1 ZINC000757218643 582562424 /nfs/dbraw/zinc/56/24/24/582562424.db2.gz WPAROQATXDJGCK-STQMWFEESA-N 2 2 218.300 1.641 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@@H](C)C[C@H]2[NH3+])cc1 ZINC000757218522 582562617 /nfs/dbraw/zinc/56/26/17/582562617.db2.gz VNMFEAOOVKQPST-FZZIBODNSA-N 2 2 232.327 1.887 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@H](C)C[C@H]2[NH3+])cc1 ZINC000757218521 582562661 /nfs/dbraw/zinc/56/26/61/582562661.db2.gz VNMFEAOOVKQPST-FZQKWOKYSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1C[NH2+][C@H](c2ccc(C=O)s2)[C@@H]([NH3+])C1 ZINC000757216493 586441119 /nfs/dbraw/zinc/44/11/19/586441119.db2.gz PVGZMZFVMABPSF-ARENWVFISA-N 2 2 224.329 1.558 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](c2ccc(C=O)s2)[C@H]([NH3+])C1 ZINC000757216494 586441263 /nfs/dbraw/zinc/44/12/63/586441263.db2.gz PVGZMZFVMABPSF-JVUFJMBOSA-N 2 2 224.329 1.558 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)C[C@@H]1[NH3+] ZINC000235329396 632672064 /nfs/dbraw/zinc/67/20/64/632672064.db2.gz DAOGRSBZFBELEJ-WXHSDQCUSA-N 2 2 226.364 1.207 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)C[C@@H]1[NH3+] ZINC000235329396 632672071 /nfs/dbraw/zinc/67/20/71/632672071.db2.gz DAOGRSBZFBELEJ-WXHSDQCUSA-N 2 2 226.364 1.207 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000149716255 639079090 /nfs/dbraw/zinc/07/90/90/639079090.db2.gz GATFNBZRHHMKGK-MGPQQGTHSA-N 2 2 216.328 1.966 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000149716255 639079095 /nfs/dbraw/zinc/07/90/95/639079095.db2.gz GATFNBZRHHMKGK-MGPQQGTHSA-N 2 2 216.328 1.966 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(NC)[nH+]cn1 ZINC000156850257 640512910 /nfs/dbraw/zinc/51/29/10/640512910.db2.gz IATAHBBEEOSCNJ-LLVKDONJSA-N 2 2 249.362 1.439 10 0 BDAELP CC[N@H+]1CCC[C@@H]1CN(C)c1cc(NC)[nH+]cn1 ZINC000156850257 640512914 /nfs/dbraw/zinc/51/29/14/640512914.db2.gz IATAHBBEEOSCNJ-LLVKDONJSA-N 2 2 249.362 1.439 10 0 BDAELP FC(F)(F)SCC[NH2+][C@H]1CC[NH2+]C1 ZINC000231938919 641218253 /nfs/dbraw/zinc/21/82/53/641218253.db2.gz DRYISMLTDUMBPO-LURJTMIESA-N 2 2 214.256 1.191 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1COCC1(C)C ZINC000313075210 641530649 /nfs/dbraw/zinc/53/06/49/641530649.db2.gz IWPXHEXUSDWLJT-CHWSQXEVSA-N 2 2 242.407 1.977 10 0 BDAELP [NH3+]C[C@H]1CC[N@@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000757149103 643333195 /nfs/dbraw/zinc/33/31/95/643333195.db2.gz XKFTXZGWUPZNFT-VHSXEESVSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@H]1CC[N@H+]1C[C@H]1CCCC(F)(F)C1 ZINC000757149103 643333201 /nfs/dbraw/zinc/33/32/01/643333201.db2.gz XKFTXZGWUPZNFT-VHSXEESVSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]Cc1cc([C@@H]2CC[C@H]([NH3+])C[NH2+]2)ccc1C1CC1 ZINC000757238182 643373189 /nfs/dbraw/zinc/37/31/89/643373189.db2.gz RQFQDJHTIWGZGP-ZFWWWQNUSA-N 3 2 245.370 1.775 10 0 BDAELP Cc1ccc(N)cc1[C@H]1[NH2+]CCC[C@@H]1[NH3+] ZINC000757236344 643374038 /nfs/dbraw/zinc/37/40/38/643374038.db2.gz OJEFIUCNHDUTLE-NWDGAFQWSA-N 2 2 205.305 1.329 10 0 BDAELP CCC[N@H+](C[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000249981685 644745728 /nfs/dbraw/zinc/74/57/28/644745728.db2.gz MFMKAULXIJFOBV-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000249981685 644745733 /nfs/dbraw/zinc/74/57/33/644745733.db2.gz MFMKAULXIJFOBV-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714375518 712484441 /nfs/dbraw/zinc/48/44/41/712484441.db2.gz VEKZCTNOTCGOPQ-WOPDTQHZSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714375518 712484442 /nfs/dbraw/zinc/48/44/42/712484442.db2.gz VEKZCTNOTCGOPQ-WOPDTQHZSA-N 2 2 226.364 1.613 10 0 BDAELP Cc1[nH]c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)[nH+]1 ZINC000724786373 711614775 /nfs/dbraw/zinc/61/47/75/711614775.db2.gz RGFCCBZBZFIQHI-GWCFXTLKSA-N 2 2 248.374 1.695 10 0 BDAELP Cc1[nH]c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)[nH+]1 ZINC000724786373 711614777 /nfs/dbraw/zinc/61/47/77/711614777.db2.gz RGFCCBZBZFIQHI-GWCFXTLKSA-N 2 2 248.374 1.695 10 0 BDAELP C([C@H]1CCCO1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257656252 711723482 /nfs/dbraw/zinc/72/34/82/711723482.db2.gz FKBMSEIBDIIWCL-CHWSQXEVSA-N 2 2 224.348 1.383 10 0 BDAELP C([C@H]1CCCO1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257656252 711723483 /nfs/dbraw/zinc/72/34/83/711723483.db2.gz FKBMSEIBDIIWCL-CHWSQXEVSA-N 2 2 224.348 1.383 10 0 BDAELP CC(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000111689859 712688363 /nfs/dbraw/zinc/68/83/63/712688363.db2.gz FDFGDSRMBIYDDI-ZDUSSCGKSA-N 2 2 235.331 1.493 10 0 BDAELP CC(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000111689859 712688364 /nfs/dbraw/zinc/68/83/64/712688364.db2.gz FDFGDSRMBIYDDI-ZDUSSCGKSA-N 2 2 235.331 1.493 10 0 BDAELP C[N@@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000685953519 538898072 /nfs/dbraw/zinc/89/80/72/538898072.db2.gz ICUFRPAERQQQGZ-JTQLQIEISA-N 3 2 225.380 1.329 10 0 BDAELP C[N@H+]1CC[C@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000685953519 538898073 /nfs/dbraw/zinc/89/80/73/538898073.db2.gz ICUFRPAERQQQGZ-JTQLQIEISA-N 3 2 225.380 1.329 10 0 BDAELP [NH3+]CC(F)(F)C[NH+]1CCC2(CC2)CC1 ZINC000685956836 538901345 /nfs/dbraw/zinc/90/13/45/538901345.db2.gz HAFVLXVTVPELCS-UHFFFAOYSA-N 2 2 204.264 1.456 10 0 BDAELP C[NH2+]CC(F)(F)Cn1c[nH+]c(C)c1C ZINC000685956850 538901368 /nfs/dbraw/zinc/90/13/68/538901368.db2.gz LILNOGIJEXTFJF-UHFFFAOYSA-N 2 2 203.236 1.355 10 0 BDAELP CCc1[nH+]c(C)cn1CC(F)(F)C[NH3+] ZINC000685956913 538902135 /nfs/dbraw/zinc/90/21/35/538902135.db2.gz LYAGUXIJFQSHKR-UHFFFAOYSA-N 2 2 203.236 1.348 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616611954 349475058 /nfs/dbraw/zinc/47/50/58/349475058.db2.gz IOOGMTGFYUKCLL-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616611954 349475060 /nfs/dbraw/zinc/47/50/60/349475060.db2.gz IOOGMTGFYUKCLL-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc[nH+]1 ZINC000092349748 178145857 /nfs/dbraw/zinc/14/58/57/178145857.db2.gz RMQQCKGSVJCCEH-MNOVXSKESA-N 2 2 233.315 1.846 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2csnn2)c[nH+]1 ZINC000188404340 538978667 /nfs/dbraw/zinc/97/86/67/538978667.db2.gz UIPREQNAJTUCTI-NSHDSACASA-N 2 2 249.343 1.399 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2csnn2)c[nH+]1 ZINC000188404340 538978669 /nfs/dbraw/zinc/97/86/69/538978669.db2.gz UIPREQNAJTUCTI-NSHDSACASA-N 2 2 249.343 1.399 10 0 BDAELP C1CC[C@@H]2[NH2+]CC[C@H]([NH+]3CCOCC3)[C@@H]2C1 ZINC000250831358 343077137 /nfs/dbraw/zinc/07/71/37/343077137.db2.gz JFGNOTYXPQYBOV-AGIUHOORSA-N 2 2 224.348 1.239 10 0 BDAELP [NH3+]C[C@H](c1c[nH+]c[nH]1)N1CCOc2ccccc21 ZINC000200227777 343274952 /nfs/dbraw/zinc/27/49/52/343274952.db2.gz FMJHMAJJRBJCCT-GFCCVEGCSA-N 2 2 244.298 1.309 10 0 BDAELP COC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042545299 343443078 /nfs/dbraw/zinc/44/30/78/343443078.db2.gz BJBKCVVGFIFJTQ-MNOVXSKESA-N 2 2 214.353 1.484 10 0 BDAELP COC(C)(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042545299 343443081 /nfs/dbraw/zinc/44/30/81/343443081.db2.gz BJBKCVVGFIFJTQ-MNOVXSKESA-N 2 2 214.353 1.484 10 0 BDAELP CCCC[C@H](C[NH3+])Nc1cc[nH+]c(C)n1 ZINC000087780245 343660418 /nfs/dbraw/zinc/66/04/18/343660418.db2.gz TXCFKPAQVYGSJI-SNVBAGLBSA-N 2 2 208.309 1.714 10 0 BDAELP C[C@@]1([NH3+])C[N@H+](Cc2ccccc2)CC12CC2 ZINC000113077252 344655787 /nfs/dbraw/zinc/65/57/87/344655787.db2.gz ISCHGRWESPMROQ-CYBMUJFWSA-N 2 2 216.328 2.000 10 0 BDAELP C[C@@]1([NH3+])C[N@@H+](Cc2ccccc2)CC12CC2 ZINC000113077252 344655790 /nfs/dbraw/zinc/65/57/90/344655790.db2.gz ISCHGRWESPMROQ-CYBMUJFWSA-N 2 2 216.328 2.000 10 0 BDAELP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCC[NH2+]2)CS1 ZINC000235410107 344904690 /nfs/dbraw/zinc/90/46/90/344904690.db2.gz GNZSMTUOYDKYAH-VWYCJHECSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC[NH2+]2)CS1 ZINC000235410107 344904692 /nfs/dbraw/zinc/90/46/92/344904692.db2.gz GNZSMTUOYDKYAH-VWYCJHECSA-N 2 2 214.378 1.564 10 0 BDAELP [NH3+][C@H](Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000011848848 345031285 /nfs/dbraw/zinc/03/12/85/345031285.db2.gz FQTPJVARBMEFRB-LLVKDONJSA-N 2 2 203.245 1.289 10 0 BDAELP COc1cc(C(F)(F)F)ccc1[C@H]([NH3+])C[NH3+] ZINC000044473196 345090906 /nfs/dbraw/zinc/09/09/06/345090906.db2.gz DXIUYYWLUCNCBI-MRVPVSSYSA-N 2 2 234.221 1.673 10 0 BDAELP C[C@H]1C[N@H+](Cc2c(Cl)cnn2C)C[C@H]1C[NH3+] ZINC000634998223 345198023 /nfs/dbraw/zinc/19/80/23/345198023.db2.gz CIKBCJCBMIWCPY-DTWKUNHWSA-N 2 2 242.754 1.100 10 0 BDAELP C[C@H]1C[N@@H+](Cc2c(Cl)cnn2C)C[C@H]1C[NH3+] ZINC000634998223 345198025 /nfs/dbraw/zinc/19/80/25/345198025.db2.gz CIKBCJCBMIWCPY-DTWKUNHWSA-N 2 2 242.754 1.100 10 0 BDAELP c1cc2c(cccc2C[NH2+][C@H]2CC[NH2+]C2)[nH]1 ZINC000635010645 345212639 /nfs/dbraw/zinc/21/26/39/345212639.db2.gz ASOOVEYLLAYJNL-NSHDSACASA-N 2 2 215.300 1.619 10 0 BDAELP COCc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)cs1 ZINC000675077954 537895808 /nfs/dbraw/zinc/89/58/08/537895808.db2.gz KTDNGQPWDKETHX-SNVBAGLBSA-N 2 2 224.329 1.208 10 0 BDAELP C[C@H]1CCn2cc(C3CC[NH2+]CC3)[nH+]c2C1 ZINC000258761400 345785827 /nfs/dbraw/zinc/78/58/27/345785827.db2.gz ZYXBBGMFNCTMCW-JTQLQIEISA-N 2 2 219.332 1.932 10 0 BDAELP CCCNc1cc(N2CCC([NH3+])CC2)nc[nH+]1 ZINC000258908968 345786753 /nfs/dbraw/zinc/78/67/53/345786753.db2.gz HGSATIFRSCRIGP-UHFFFAOYSA-N 2 2 235.335 1.226 10 0 BDAELP CCCNc1cc(N2CCC([NH3+])CC2)[nH+]cn1 ZINC000258908968 345786756 /nfs/dbraw/zinc/78/67/56/345786756.db2.gz HGSATIFRSCRIGP-UHFFFAOYSA-N 2 2 235.335 1.226 10 0 BDAELP Cc1cccc(-n2c[nH+]cc2CC[NH3+])c1C ZINC000076645068 179001425 /nfs/dbraw/zinc/00/14/25/179001425.db2.gz AKQAUCFYPOSKRD-UHFFFAOYSA-N 2 2 215.300 1.990 10 0 BDAELP CCC[NH+](CCC)C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378720 537970600 /nfs/dbraw/zinc/97/06/00/537970600.db2.gz JTJZMFOBHJIMGP-QWHCGFSZSA-N 3 2 227.396 1.293 10 0 BDAELP Cc1cccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)n1 ZINC000051577670 179079504 /nfs/dbraw/zinc/07/95/04/179079504.db2.gz FRAGBXBMNFXCJL-NSHDSACASA-N 2 2 219.332 1.431 10 0 BDAELP Cc1cccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)n1 ZINC000051577670 179079507 /nfs/dbraw/zinc/07/95/07/179079507.db2.gz FRAGBXBMNFXCJL-NSHDSACASA-N 2 2 219.332 1.431 10 0 BDAELP C[C@@H]1C[NH2+][C@@]2(CC[NH2+]C[C@@H]2C)SC1 ZINC000229565600 346437632 /nfs/dbraw/zinc/43/76/32/346437632.db2.gz COQXISBCUBLWCC-UTLUCORTSA-N 2 2 200.351 1.285 10 0 BDAELP Cc1cccc(OCC[N@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000044418302 179166225 /nfs/dbraw/zinc/16/62/25/179166225.db2.gz DWHUXNHFTZWJRS-CQSZACIVSA-N 2 2 248.370 1.915 10 0 BDAELP Cc1cccc(OCC[N@@H+]2CC[NH2+]C[C@@H](C)C2)c1 ZINC000044418302 179166226 /nfs/dbraw/zinc/16/62/26/179166226.db2.gz DWHUXNHFTZWJRS-CQSZACIVSA-N 2 2 248.370 1.915 10 0 BDAELP Cc1cccc([C@H](C[NH3+])n2cc[nH+]c2)c1 ZINC000042967742 179200080 /nfs/dbraw/zinc/20/00/80/179200080.db2.gz QYJKLPBGQIITFP-LBPRGKRZSA-N 2 2 201.273 1.740 10 0 BDAELP CC(C)C[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616577797 349119699 /nfs/dbraw/zinc/11/96/99/349119699.db2.gz MGHZXIPHUNNROC-GFCCVEGCSA-N 2 2 208.349 1.859 10 0 BDAELP Cc1[nH+]c2ccccc2n1C[C@H](O)C[NH2+]C(C)C ZINC000036950734 180103752 /nfs/dbraw/zinc/10/37/52/180103752.db2.gz BVUXXBJSGNLYNE-GFCCVEGCSA-N 2 2 247.342 1.704 10 0 BDAELP Cc1nccc(C[N@@H+]2CCC[NH2+][C@@H](C)CC2)n1 ZINC000045007765 180183037 /nfs/dbraw/zinc/18/30/37/180183037.db2.gz CTZBTIGPBAWCAC-NSHDSACASA-N 2 2 234.347 1.359 10 0 BDAELP Cc1nccc(C[N@H+]2CCC[NH2+][C@@H](C)CC2)n1 ZINC000045007765 180183042 /nfs/dbraw/zinc/18/30/42/180183042.db2.gz CTZBTIGPBAWCAC-NSHDSACASA-N 2 2 234.347 1.359 10 0 BDAELP Cc1[nH+]cccc1N[C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000134072188 180226620 /nfs/dbraw/zinc/22/66/20/180226620.db2.gz NPCYWGWTFXMNLW-JQWIXIFHSA-N 2 2 235.331 1.569 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335598337 180251017 /nfs/dbraw/zinc/25/10/17/180251017.db2.gz WMBIVYMCGGNDOV-CMPLNLGQSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](O)[C@@H]1C ZINC000335598337 180251019 /nfs/dbraw/zinc/25/10/19/180251019.db2.gz WMBIVYMCGGNDOV-CMPLNLGQSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC000178302247 180270122 /nfs/dbraw/zinc/27/01/22/180270122.db2.gz HOHLZKJDAMXGOS-CYBMUJFWSA-N 2 2 246.314 1.844 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccon1 ZINC000178302247 180270124 /nfs/dbraw/zinc/27/01/24/180270124.db2.gz HOHLZKJDAMXGOS-CYBMUJFWSA-N 2 2 246.314 1.844 10 0 BDAELP Cc1[nH+]cn(-c2cccc(C[NH3+])n2)c1C ZINC000051928479 180285180 /nfs/dbraw/zinc/28/51/80/180285180.db2.gz XSUQSUIDYXZZPO-UHFFFAOYSA-N 2 2 202.261 1.343 10 0 BDAELP CCOC1CC([NH2+][C@H]2CCC[N@H+](CC)C2)C1 ZINC000162845183 350443274 /nfs/dbraw/zinc/44/32/74/350443274.db2.gz PSHKDPODQNWGDJ-HIFPTAJRSA-N 2 2 226.364 1.628 10 0 BDAELP CCOC1CC([NH2+][C@H]2CCC[N@@H+](CC)C2)C1 ZINC000162845183 350443278 /nfs/dbraw/zinc/44/32/78/350443278.db2.gz PSHKDPODQNWGDJ-HIFPTAJRSA-N 2 2 226.364 1.628 10 0 BDAELP Cc1[nH+]cn(-c2nnc(C)c(C)c2C[NH3+])c1C ZINC000051925529 180396020 /nfs/dbraw/zinc/39/60/20/180396020.db2.gz WGGPXHNHUOYMJP-UHFFFAOYSA-N 2 2 231.303 1.355 10 0 BDAELP COc1ccc(C[C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000041217892 350580599 /nfs/dbraw/zinc/58/05/99/350580599.db2.gz AYQNGQVAYQKNAZ-NSHDSACASA-N 2 2 208.305 1.127 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccnnc2)CC1 ZINC000616600421 350780252 /nfs/dbraw/zinc/78/02/52/350780252.db2.gz FADQARFVYMQTEI-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccnnc2)CC1 ZINC000616600421 350780254 /nfs/dbraw/zinc/78/02/54/350780254.db2.gz FADQARFVYMQTEI-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ncccn2)C1 ZINC000616603300 350789367 /nfs/dbraw/zinc/78/93/67/350789367.db2.gz FYJAVOMNYDZNCQ-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ncccn2)C1 ZINC000616603300 350789368 /nfs/dbraw/zinc/78/93/68/350789368.db2.gz FYJAVOMNYDZNCQ-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc(CO)cc1 ZINC000616608196 350800445 /nfs/dbraw/zinc/80/04/45/350800445.db2.gz NOGCUQVRYNFLCX-ZDUSSCGKSA-N 2 2 220.316 1.275 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc(CO)cc1 ZINC000616608196 350800449 /nfs/dbraw/zinc/80/04/49/350800449.db2.gz NOGCUQVRYNFLCX-ZDUSSCGKSA-N 2 2 220.316 1.275 10 0 BDAELP Nc1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000616611305 350810736 /nfs/dbraw/zinc/81/07/36/350810736.db2.gz BZVPMOVMOFCWQQ-JTQLQIEISA-N 2 2 205.305 1.017 10 0 BDAELP Nc1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616611305 350810738 /nfs/dbraw/zinc/81/07/38/350810738.db2.gz BZVPMOVMOFCWQQ-JTQLQIEISA-N 2 2 205.305 1.017 10 0 BDAELP CNc1ccccc1C1CC[NH+](CC[NH3+])CC1 ZINC000616619822 350928292 /nfs/dbraw/zinc/92/82/92/350928292.db2.gz RKHQPPKJBKUOGH-UHFFFAOYSA-N 2 2 233.359 1.866 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCS[C@H](C)CC1 ZINC000306776777 351017844 /nfs/dbraw/zinc/01/78/44/351017844.db2.gz ZVBNPBAYTFWRKL-HTQZYQBOSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@H+]1CCS[C@H](C)CC1 ZINC000306776777 351017847 /nfs/dbraw/zinc/01/78/47/351017847.db2.gz ZVBNPBAYTFWRKL-HTQZYQBOSA-N 2 2 201.339 1.138 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnco2)CC1 ZINC000616629656 351100919 /nfs/dbraw/zinc/10/09/19/351100919.db2.gz SWRLPMRNYPUAMC-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnco2)CC1 ZINC000616629656 351100922 /nfs/dbraw/zinc/10/09/22/351100922.db2.gz SWRLPMRNYPUAMC-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccncn2)C1 ZINC000616630932 351104577 /nfs/dbraw/zinc/10/45/77/351104577.db2.gz WHRJADFTGORZGW-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccncn2)C1 ZINC000616630932 351104581 /nfs/dbraw/zinc/10/45/81/351104581.db2.gz WHRJADFTGORZGW-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP CC(C)(C)[N@@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616653646 351194092 /nfs/dbraw/zinc/19/40/92/351194092.db2.gz RWLRHDMOYSZSMV-LLVKDONJSA-N 2 2 223.320 1.903 10 0 BDAELP CC(C)(C)[N@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616653646 351194093 /nfs/dbraw/zinc/19/40/93/351194093.db2.gz RWLRHDMOYSZSMV-LLVKDONJSA-N 2 2 223.320 1.903 10 0 BDAELP CC(C)(C)[N@@H+]1CCOC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616659227 351206172 /nfs/dbraw/zinc/20/61/72/351206172.db2.gz DIVQPRSEESXGEF-JTQLQIEISA-N 2 2 223.320 1.624 10 0 BDAELP CC(C)(C)[N@H+]1CCOC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616659227 351206173 /nfs/dbraw/zinc/20/61/73/351206173.db2.gz DIVQPRSEESXGEF-JTQLQIEISA-N 2 2 223.320 1.624 10 0 BDAELP BrC1=CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404396990 351421932 /nfs/dbraw/zinc/42/19/32/351421932.db2.gz CUIMXZXKAYQETE-SECBINFHSA-N 2 2 245.164 1.580 10 0 BDAELP BrC1=CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404396990 351421937 /nfs/dbraw/zinc/42/19/37/351421937.db2.gz CUIMXZXKAYQETE-SECBINFHSA-N 2 2 245.164 1.580 10 0 BDAELP CC[C@](C)([C@H](C)[NH3+])[N@@H+]1CCOC[C@H]1C ZINC000307150791 351504986 /nfs/dbraw/zinc/50/49/86/351504986.db2.gz UOCVKBPRVHPNGA-OUAUKWLOSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CCOC[C@H]1C ZINC000307150791 351504988 /nfs/dbraw/zinc/50/49/88/351504988.db2.gz UOCVKBPRVHPNGA-OUAUKWLOSA-N 2 2 200.326 1.223 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CSC1(C)C ZINC000307163143 351528503 /nfs/dbraw/zinc/52/85/03/351528503.db2.gz LONOGMCKXVCWFC-VHSXEESVSA-N 2 2 214.378 1.564 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CSC1(C)C ZINC000307163143 351528506 /nfs/dbraw/zinc/52/85/06/351528506.db2.gz LONOGMCKXVCWFC-VHSXEESVSA-N 2 2 214.378 1.564 10 0 BDAELP CS[C@@H]1CCC[N@@H+]([C@H](C)C(N)=[NH2+])CC1 ZINC000300886071 363098830 /nfs/dbraw/zinc/09/88/30/363098830.db2.gz TWUSSWVRZNVOKZ-RKDXNWHRSA-N 2 2 215.366 1.528 10 0 BDAELP CS[C@@H]1CCC[N@H+]([C@H](C)C(N)=[NH2+])CC1 ZINC000300886071 363098835 /nfs/dbraw/zinc/09/88/35/363098835.db2.gz TWUSSWVRZNVOKZ-RKDXNWHRSA-N 2 2 215.366 1.528 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccnc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630075862 363162875 /nfs/dbraw/zinc/16/28/75/363162875.db2.gz HEDHBBDIZJLOMA-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccnc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630075862 363162881 /nfs/dbraw/zinc/16/28/81/363162881.db2.gz HEDHBBDIZJLOMA-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP Cc1nc(N[C@@H]2C[NH2+]CC[C@@H]2C)cc[nH+]1 ZINC000389734549 352552614 /nfs/dbraw/zinc/55/26/14/352552614.db2.gz SUKGDDCRZXDPJI-WCBMZHEXSA-N 2 2 206.293 1.195 10 0 BDAELP CC1CC[NH+](C2(C[NH3+])CSC2)CC1 ZINC000307470662 352616983 /nfs/dbraw/zinc/61/69/83/352616983.db2.gz QAUAJMIYPKJMIU-UHFFFAOYSA-N 2 2 200.351 1.163 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000307601614 352667708 /nfs/dbraw/zinc/66/77/08/352667708.db2.gz VCDDVEGYCZDYFD-DCAQKATOSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000307601614 352667711 /nfs/dbraw/zinc/66/77/11/352667711.db2.gz VCDDVEGYCZDYFD-DCAQKATOSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)(C)c1c[nH]c(CN2CC[NH2+]CC2)[nH+]1 ZINC000037482608 188114278 /nfs/dbraw/zinc/11/42/78/188114278.db2.gz LIXHMFMNFZNWPJ-UHFFFAOYSA-N 2 2 222.336 1.112 10 0 BDAELP C([NH2+][C@@H]1C[NH+]2CCC1CC2)[C@H]1CCCOC1 ZINC000038044560 188117458 /nfs/dbraw/zinc/11/74/58/188117458.db2.gz DOWFHPXIYXFGTQ-DGCLKSJQSA-N 2 2 224.348 1.097 10 0 BDAELP Cc1nc(N(C)Cc2ccc(C[NH3+])cc2)cc[nH+]1 ZINC000054935447 188127408 /nfs/dbraw/zinc/12/74/08/188127408.db2.gz SVEXIUUARVNUDK-UHFFFAOYSA-N 2 2 242.326 1.880 10 0 BDAELP COc1cc(C)cc(C)c1CC[N@H+](C)CC[NH3+] ZINC000077373199 188136485 /nfs/dbraw/zinc/13/64/85/188136485.db2.gz VHFXWRZXNXGANV-UHFFFAOYSA-N 2 2 236.359 1.745 10 0 BDAELP COc1cc(C)cc(C)c1CC[N@@H+](C)CC[NH3+] ZINC000077373199 188136487 /nfs/dbraw/zinc/13/64/87/188136487.db2.gz VHFXWRZXNXGANV-UHFFFAOYSA-N 2 2 236.359 1.745 10 0 BDAELP CC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000108864927 188161388 /nfs/dbraw/zinc/16/13/88/188161388.db2.gz IVHGIJRWWDCGSN-UHFFFAOYSA-N 2 2 224.348 1.526 10 0 BDAELP C1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2[C@@H]1CCCC[NH2+]C1 ZINC000054135440 188176707 /nfs/dbraw/zinc/17/67/07/188176707.db2.gz UUJIDHVTWPWIEF-MGPQQGTHSA-N 2 2 238.375 1.772 10 0 BDAELP C1CC[C@@H]2[C@@H](C1)OCC[N@H+]2[C@@H]1CCCC[NH2+]C1 ZINC000054135440 188176709 /nfs/dbraw/zinc/17/67/09/188176709.db2.gz UUJIDHVTWPWIEF-MGPQQGTHSA-N 2 2 238.375 1.772 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230374602 363305323 /nfs/dbraw/zinc/30/53/23/363305323.db2.gz OXIFNQPBCJTWPT-GFCCVEGCSA-N 2 2 214.353 1.221 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000230374602 363305328 /nfs/dbraw/zinc/30/53/28/363305328.db2.gz OXIFNQPBCJTWPT-GFCCVEGCSA-N 2 2 214.353 1.221 10 0 BDAELP NC(=[NH2+])c1ccc(Cc2c[nH]c[nH+]2)cc1 ZINC000026381212 181195053 /nfs/dbraw/zinc/19/50/53/181195053.db2.gz GOTTYTIDGPFOQO-UHFFFAOYSA-N 2 2 200.245 1.285 10 0 BDAELP NC(=[NH2+])c1ccc(Cc2c[nH+]c[nH]2)cc1 ZINC000026381212 181195054 /nfs/dbraw/zinc/19/50/54/181195054.db2.gz GOTTYTIDGPFOQO-UHFFFAOYSA-N 2 2 200.245 1.285 10 0 BDAELP C[C@H]1CC[C@@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000336033822 134058949 /nfs/dbraw/zinc/05/89/49/134058949.db2.gz MRRLCRTTZPOTEW-QWHCGFSZSA-N 2 2 248.374 1.731 10 0 BDAELP Cc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cc1C ZINC000675078010 538514637 /nfs/dbraw/zinc/51/46/37/538514637.db2.gz LXAQDIDSEHGVPB-CYBMUJFWSA-N 2 2 202.301 1.617 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccccc2Cl)C[NH2+]C1 ZINC000675079043 538517544 /nfs/dbraw/zinc/51/75/44/538517544.db2.gz VFYJUQCDHYZXAW-LLVKDONJSA-N 2 2 222.719 1.739 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000193463898 357118312 /nfs/dbraw/zinc/11/83/12/357118312.db2.gz KDMIPZFMDVLLRD-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000193463898 357118313 /nfs/dbraw/zinc/11/83/13/357118313.db2.gz KDMIPZFMDVLLRD-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP COC[C@@H](CCC[NH3+])Nc1ccc(C)[nH+]c1 ZINC000234763777 357826716 /nfs/dbraw/zinc/82/67/16/357826716.db2.gz XXDZADMBMCKQDV-GFCCVEGCSA-N 2 2 223.320 1.556 10 0 BDAELP C[C@@H]1C[N@H+](CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000235363707 357867928 /nfs/dbraw/zinc/86/79/28/357867928.db2.gz IMHSANBPQMKSOC-OCCSQVGLSA-N 2 2 234.343 1.735 10 0 BDAELP C[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@@H]1[NH3+] ZINC000235363707 357867932 /nfs/dbraw/zinc/86/79/32/357867932.db2.gz IMHSANBPQMKSOC-OCCSQVGLSA-N 2 2 234.343 1.735 10 0 BDAELP COc1ccc[nH+]c1N1C[C@H](C[NH3+])C[C@H]1C ZINC000160299838 357972005 /nfs/dbraw/zinc/97/20/05/357972005.db2.gz FUTDVDKJMHYLDJ-ZJUUUORDSA-N 2 2 221.304 1.264 10 0 BDAELP c1[nH]cc(CCN2CC[NH2+]Cc3ccccc32)[nH+]1 ZINC000584617176 358282296 /nfs/dbraw/zinc/28/22/96/358282296.db2.gz PJPFTWHYVCJDLX-UHFFFAOYSA-N 2 2 242.326 1.562 10 0 BDAELP c1[nH]c(CCN2CC[NH2+]Cc3ccccc32)c[nH+]1 ZINC000584617176 358282298 /nfs/dbraw/zinc/28/22/98/358282298.db2.gz PJPFTWHYVCJDLX-UHFFFAOYSA-N 2 2 242.326 1.562 10 0 BDAELP CC[C@H]1C[NH2+]C[C@H]1[NH+]1CCSCC1 ZINC000160963984 359593079 /nfs/dbraw/zinc/59/30/79/359593079.db2.gz AYCGXSBAZMWJPR-VHSXEESVSA-N 2 2 200.351 1.033 10 0 BDAELP CC(C)(C)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665426 360267435 /nfs/dbraw/zinc/26/74/35/360267435.db2.gz FZKRSOQYNSVQOJ-ZDUSSCGKSA-N 2 2 240.391 1.687 10 0 BDAELP CC(C)(C)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665426 360267437 /nfs/dbraw/zinc/26/74/37/360267437.db2.gz FZKRSOQYNSVQOJ-ZDUSSCGKSA-N 2 2 240.391 1.687 10 0 BDAELP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CSCC[NH2+]1 ZINC000306520480 360344302 /nfs/dbraw/zinc/34/43/02/360344302.db2.gz DRDJZOFWVTXNDD-UTLUCORTSA-N 2 2 200.351 1.080 10 0 BDAELP Cc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cs1 ZINC000306556380 360430141 /nfs/dbraw/zinc/43/01/41/360430141.db2.gz ICGATGRYDSQXAC-LLVKDONJSA-N 2 2 210.346 1.898 10 0 BDAELP CSC1CC[NH+]([C@@H]2CC[NH2+]C2)CC1 ZINC000300808427 360512172 /nfs/dbraw/zinc/51/21/72/360512172.db2.gz GTENDERFPAIJFE-SECBINFHSA-N 2 2 200.351 1.176 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000152989700 201216509 /nfs/dbraw/zinc/21/65/09/201216509.db2.gz ZUMZNERZAAGHTC-YNEHKIRRSA-N 2 2 228.380 1.730 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000152989700 201216512 /nfs/dbraw/zinc/21/65/12/201216512.db2.gz ZUMZNERZAAGHTC-YNEHKIRRSA-N 2 2 228.380 1.730 10 0 BDAELP CCCc1csc(C[N@@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000261782233 535446763 /nfs/dbraw/zinc/44/67/63/535446763.db2.gz FODGOTBLIFHPIV-JTQLQIEISA-N 2 2 239.388 1.876 10 0 BDAELP CCCc1csc(C[N@H+]2CC[C@@H](C[NH3+])C2)n1 ZINC000261782233 535446769 /nfs/dbraw/zinc/44/67/69/535446769.db2.gz FODGOTBLIFHPIV-JTQLQIEISA-N 2 2 239.388 1.876 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630367285 364084596 /nfs/dbraw/zinc/08/45/96/364084596.db2.gz NNAWHQBXHHSIPR-CHWSQXEVSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630367285 364084603 /nfs/dbraw/zinc/08/46/03/364084603.db2.gz NNAWHQBXHHSIPR-CHWSQXEVSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccncc2C)[C@@](C)(C[NH3+])C1 ZINC000630366458 364086615 /nfs/dbraw/zinc/08/66/15/364086615.db2.gz KQTIYVLMJIEPCF-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccncc2C)[C@@](C)(C[NH3+])C1 ZINC000630366458 364086618 /nfs/dbraw/zinc/08/66/18/364086618.db2.gz KQTIYVLMJIEPCF-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000630541112 364237818 /nfs/dbraw/zinc/23/78/18/364237818.db2.gz INVWIYLUPPBIPQ-OKILXGFUSA-N 2 2 247.342 1.526 10 0 BDAELP C[C@@H]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C[NH2+]1 ZINC000630534855 364229516 /nfs/dbraw/zinc/22/95/16/364229516.db2.gz PUMFWWOVMRUDFU-ZJUUUORDSA-N 2 2 230.315 1.537 10 0 BDAELP Cc1nc(C)c(C2=C[C@H]([NH3+])C[NH2+]C2)s1 ZINC000675079335 541391842 /nfs/dbraw/zinc/39/18/42/541391842.db2.gz XSTNKWLTRFYOPG-VIFPVBQESA-N 2 2 209.318 1.074 10 0 BDAELP CCn1ccnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000383680158 367649272 /nfs/dbraw/zinc/64/92/72/367649272.db2.gz ONZNRUFCONTDNJ-SDDRHHMPSA-N 2 2 234.347 1.072 10 0 BDAELP CCn1ccnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000383680158 367649280 /nfs/dbraw/zinc/64/92/80/367649280.db2.gz ONZNRUFCONTDNJ-SDDRHHMPSA-N 2 2 234.347 1.072 10 0 BDAELP CCc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc(C)[nH+]1 ZINC000385334528 367820420 /nfs/dbraw/zinc/82/04/20/367820420.db2.gz VPXMXFBWSMOJDY-MNOVXSKESA-N 2 2 232.331 1.146 10 0 BDAELP C[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000252982254 368176180 /nfs/dbraw/zinc/17/61/80/368176180.db2.gz VOIWKBHMJVSRJW-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1C[N@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000252982254 368176183 /nfs/dbraw/zinc/17/61/83/368176183.db2.gz VOIWKBHMJVSRJW-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@H]1SCC[N@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000132419178 371817148 /nfs/dbraw/zinc/81/71/48/371817148.db2.gz VKYNELDQTNXFGW-AXFHLTTASA-N 2 2 214.378 1.564 10 0 BDAELP C[C@H]1SCC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@H]1C ZINC000132419178 371817152 /nfs/dbraw/zinc/81/71/52/371817152.db2.gz VKYNELDQTNXFGW-AXFHLTTASA-N 2 2 214.378 1.564 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1cc(Cl)ccc1F ZINC000162992493 371906023 /nfs/dbraw/zinc/90/60/23/371906023.db2.gz DPESXUVJXLRYEO-SECBINFHSA-N 2 2 202.660 1.698 10 0 BDAELP [NH3+]Cc1nc(C[NH+]2CCCCC2)cs1 ZINC000032012590 372134394 /nfs/dbraw/zinc/13/43/94/372134394.db2.gz FCHIYEGOXRGTRO-UHFFFAOYSA-N 2 2 211.334 1.588 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](C[C@@H]2CSCCS2)C1 ZINC000229649568 372178261 /nfs/dbraw/zinc/17/82/61/372178261.db2.gz CSSNGGKVLJUWDT-NXEZZACHSA-N 2 2 232.418 1.258 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](C[C@@H]2CSCCS2)C1 ZINC000229649568 372178267 /nfs/dbraw/zinc/17/82/67/372178267.db2.gz CSSNGGKVLJUWDT-NXEZZACHSA-N 2 2 232.418 1.258 10 0 BDAELP [NH3+][C@H]1CCCC[C@H]1[NH+]1CCSCC1 ZINC000040989034 373977417 /nfs/dbraw/zinc/97/74/17/373977417.db2.gz XKYOTIQTLDCPEJ-VHSXEESVSA-N 2 2 200.351 1.305 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@H]2CCSC2)[C@@H](C)C1 ZINC000307522467 170036745 /nfs/dbraw/zinc/03/67/45/170036745.db2.gz YGCPLVVNBQZBSX-DCAQKATOSA-N 2 2 214.378 1.422 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCSC2)[C@@H](C)C1 ZINC000307522467 170036746 /nfs/dbraw/zinc/03/67/46/170036746.db2.gz YGCPLVVNBQZBSX-DCAQKATOSA-N 2 2 214.378 1.422 10 0 BDAELP OCCC[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671287 183059867 /nfs/dbraw/zinc/05/98/67/183059867.db2.gz HGAJKVCISLCKGS-HNNXBMFYSA-N 2 2 248.370 1.275 10 0 BDAELP OCCC[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671287 183059869 /nfs/dbraw/zinc/05/98/69/183059869.db2.gz HGAJKVCISLCKGS-HNNXBMFYSA-N 2 2 248.370 1.275 10 0 BDAELP CCC[N@H+](CCO)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901989 169166806 /nfs/dbraw/zinc/16/68/06/169166806.db2.gz PSAQIFNEULFQNO-OCCSQVGLSA-N 2 2 236.359 1.779 10 0 BDAELP CCC[N@@H+](CCO)[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901989 169166807 /nfs/dbraw/zinc/16/68/07/169166807.db2.gz PSAQIFNEULFQNO-OCCSQVGLSA-N 2 2 236.359 1.779 10 0 BDAELP CCC[NH+]1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000020521636 169187187 /nfs/dbraw/zinc/18/71/87/169187187.db2.gz YBDGKPXUKQCHHP-UHFFFAOYSA-N 3 2 225.380 1.284 10 0 BDAELP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]n2)CC1 ZINC000037906949 169190253 /nfs/dbraw/zinc/19/02/53/169190253.db2.gz OHRNWQWGUMCMHC-NSHDSACASA-N 2 2 236.363 1.935 10 0 BDAELP c1cc(CC[NH2+]CC[NH+]2CCCCC2)ccn1 ZINC000049575144 183337917 /nfs/dbraw/zinc/33/79/17/183337917.db2.gz VFTRSDQUEVSFAT-UHFFFAOYSA-N 2 2 233.359 1.700 10 0 BDAELP CCC[NH2+]C[C@H](CC)N1CCn2cc[nH+]c2C1 ZINC000062325527 169263082 /nfs/dbraw/zinc/26/30/82/169263082.db2.gz HQYUJFMNMWFSIG-LBPRGKRZSA-N 2 2 236.363 1.477 10 0 BDAELP CCC[C@@H]([NH3+])[C@@H](CC)N(C)Cc1[nH+]ccn1C ZINC000062251012 169393097 /nfs/dbraw/zinc/39/30/97/169393097.db2.gz FJIZKNRRRIHHHJ-VXGBXAGGSA-N 2 2 238.379 1.758 10 0 BDAELP CCOCC1(C)CC[NH+](CC[NH3+])CC1 ZINC000409434867 383840453 /nfs/dbraw/zinc/84/04/53/383840453.db2.gz QZKPCACJYUHQQL-UHFFFAOYSA-N 2 2 200.326 1.084 10 0 BDAELP [NH3+]C[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000035731267 383869834 /nfs/dbraw/zinc/86/98/34/383869834.db2.gz UJFZYGBICBCQMD-ZDUSSCGKSA-N 2 2 220.316 1.061 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000050270041 383988978 /nfs/dbraw/zinc/98/89/78/383988978.db2.gz OEZXGWAPWJPAIU-SECBINFHSA-N 2 2 202.660 1.698 10 0 BDAELP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309134070 384079974 /nfs/dbraw/zinc/07/99/74/384079974.db2.gz RQYUVELDEMKLJB-UTLUCORTSA-N 2 2 205.305 1.513 10 0 BDAELP C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309134070 384079979 /nfs/dbraw/zinc/07/99/79/384079979.db2.gz RQYUVELDEMKLJB-UTLUCORTSA-N 2 2 205.305 1.513 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000072200590 384199924 /nfs/dbraw/zinc/19/99/24/384199924.db2.gz WNLYXJJZGURMKD-QMMMGPOBSA-N 2 2 202.204 1.247 10 0 BDAELP CN(CC1CC[NH2+]CC1)c1[nH+]cccc1O ZINC000095071317 384340942 /nfs/dbraw/zinc/34/09/42/384340942.db2.gz ABBGUZWTAQKOND-UHFFFAOYSA-N 2 2 221.304 1.223 10 0 BDAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000335642585 384415630 /nfs/dbraw/zinc/41/56/30/384415630.db2.gz FXQCDWZSVHZABQ-PWSUYJOCSA-N 2 2 205.305 1.312 10 0 BDAELP CC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000151016209 384530953 /nfs/dbraw/zinc/53/09/53/384530953.db2.gz SXRMZESPJNFIHC-GXSJLCMTSA-N 2 2 207.321 1.894 10 0 BDAELP CC[NH+](CC)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629303 384549889 /nfs/dbraw/zinc/54/98/89/384549889.db2.gz IJAGRXAFWBMFSS-AVGNSLFASA-N 2 2 240.391 1.731 10 0 BDAELP C[C@@H]([NH3+])[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000335898796 384588416 /nfs/dbraw/zinc/58/84/16/384588416.db2.gz XAKSVTPTAMCTBI-BDAKNGLRSA-N 2 2 218.304 1.143 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)NCc1c[nH+]cn1C ZINC000105436369 384783055 /nfs/dbraw/zinc/78/30/55/384783055.db2.gz WGIXYYRGRJTGGF-GFCCVEGCSA-N 2 2 238.379 1.486 10 0 BDAELP COC[C@]12C[N@H+](CC(=[NH2+])NO)C[C@@H]1CCCC2 ZINC000409428910 385326767 /nfs/dbraw/zinc/32/67/67/385326767.db2.gz GYSWKIOTPULINP-JQWIXIFHSA-N 2 2 241.335 1.081 10 0 BDAELP COC[C@]12C[N@@H+](CC(=[NH2+])NO)C[C@@H]1CCCC2 ZINC000409428910 385326773 /nfs/dbraw/zinc/32/67/73/385326773.db2.gz GYSWKIOTPULINP-JQWIXIFHSA-N 2 2 241.335 1.081 10 0 BDAELP Cc1ccc(O)c(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)n1 ZINC000156017753 385428584 /nfs/dbraw/zinc/42/85/84/385428584.db2.gz SHYQWUOTDLSMSP-GFCCVEGCSA-N 2 2 249.358 1.479 10 0 BDAELP Cc1ccc(O)c(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000156017753 385428586 /nfs/dbraw/zinc/42/85/86/385428586.db2.gz SHYQWUOTDLSMSP-GFCCVEGCSA-N 2 2 249.358 1.479 10 0 BDAELP CC(C)([NH3+])C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000211286821 385677772 /nfs/dbraw/zinc/67/77/72/385677772.db2.gz FBBTXKIBAJHVMA-LLVKDONJSA-N 2 2 236.315 1.185 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ncnc32)CC[N@@H+]1C ZINC000164642801 386178235 /nfs/dbraw/zinc/17/82/35/386178235.db2.gz JKZCVQMKDAQTMS-IJLUTSLNSA-N 2 2 249.362 1.185 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCn3ncnc32)CC[N@H+]1C ZINC000164642801 386178239 /nfs/dbraw/zinc/17/82/39/386178239.db2.gz JKZCVQMKDAQTMS-IJLUTSLNSA-N 2 2 249.362 1.185 10 0 BDAELP c1sc(C2CC2)nc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414904337 386347032 /nfs/dbraw/zinc/34/70/32/386347032.db2.gz JPOUQXUJSJMSRY-VIFPVBQESA-N 2 2 237.372 1.720 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CSCC[NH2+]2)[C@H]1C ZINC000575591904 386352633 /nfs/dbraw/zinc/35/26/33/386352633.db2.gz MYWUBQAOEVEMIO-UTLUCORTSA-N 2 2 200.351 1.032 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CSCC[NH2+]2)[C@H]1C ZINC000575591904 386352641 /nfs/dbraw/zinc/35/26/41/386352641.db2.gz MYWUBQAOEVEMIO-UTLUCORTSA-N 2 2 200.351 1.032 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccncc1 ZINC000396590363 386782299 /nfs/dbraw/zinc/78/22/99/386782299.db2.gz STTRIUWPSRRYKH-GVXVVHGQSA-N 2 2 219.332 1.873 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@@H](C)[C@H]1C ZINC000575587923 387180718 /nfs/dbraw/zinc/18/07/18/387180718.db2.gz ABTTVYQBNAVCAD-DOLQZWNJSA-N 2 2 200.351 1.030 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@@H](C)[C@H]1C ZINC000575587923 387180722 /nfs/dbraw/zinc/18/07/22/387180722.db2.gz ABTTVYQBNAVCAD-DOLQZWNJSA-N 2 2 200.351 1.030 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CSCC[NH2+]2)[C@H]1C ZINC000575591901 387216837 /nfs/dbraw/zinc/21/68/37/387216837.db2.gz MYWUBQAOEVEMIO-KXUCPTDWSA-N 2 2 200.351 1.032 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CSCC[NH2+]2)[C@H]1C ZINC000575591901 387216842 /nfs/dbraw/zinc/21/68/42/387216842.db2.gz MYWUBQAOEVEMIO-KXUCPTDWSA-N 2 2 200.351 1.032 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000035677110 387437606 /nfs/dbraw/zinc/43/76/06/387437606.db2.gz GHONVWPMFNOQSL-MRVPVSSYSA-N 2 2 202.204 1.247 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000314078734 387397711 /nfs/dbraw/zinc/39/77/11/387397711.db2.gz DCUMXJXKBXHRMV-ZDUSSCGKSA-N 2 2 236.363 1.037 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000314078734 387397715 /nfs/dbraw/zinc/39/77/15/387397715.db2.gz DCUMXJXKBXHRMV-ZDUSSCGKSA-N 2 2 236.363 1.037 10 0 BDAELP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422979566 387789817 /nfs/dbraw/zinc/78/98/17/387789817.db2.gz JVGDLZQUFWCTPE-VXGBXAGGSA-N 2 2 220.316 1.405 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000323022064 387991328 /nfs/dbraw/zinc/99/13/28/387991328.db2.gz JNOHBWVAXAADQY-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000323022064 387991332 /nfs/dbraw/zinc/99/13/32/387991332.db2.gz JNOHBWVAXAADQY-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083704411 388059224 /nfs/dbraw/zinc/05/92/24/388059224.db2.gz OWLIHMIADJREQK-CHWSQXEVSA-N 2 2 248.374 1.479 10 0 BDAELP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083704411 388059227 /nfs/dbraw/zinc/05/92/27/388059227.db2.gz OWLIHMIADJREQK-CHWSQXEVSA-N 2 2 248.374 1.479 10 0 BDAELP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336658361 388074854 /nfs/dbraw/zinc/07/48/54/388074854.db2.gz QFUBZKCYSMQLRL-QWRGUYRKSA-N 2 2 202.317 1.666 10 0 BDAELP CCC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C1)OC ZINC000378738191 388492588 /nfs/dbraw/zinc/49/25/88/388492588.db2.gz GRURFHJIZKZHKG-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C1)OC ZINC000378738191 388492589 /nfs/dbraw/zinc/49/25/89/388492589.db2.gz GRURFHJIZKZHKG-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000246567342 388644390 /nfs/dbraw/zinc/64/43/90/388644390.db2.gz XQENYWWCKCSWAV-VOAKCMCISA-N 2 2 226.364 1.482 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000246567342 388644392 /nfs/dbraw/zinc/64/43/92/388644392.db2.gz XQENYWWCKCSWAV-VOAKCMCISA-N 2 2 226.364 1.482 10 0 BDAELP Cc1oncc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000128638840 388778292 /nfs/dbraw/zinc/77/82/92/388778292.db2.gz ZZRPLUMRNZWJQG-LLVKDONJSA-N 2 2 223.320 1.367 10 0 BDAELP Cc1oncc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000128638840 388778295 /nfs/dbraw/zinc/77/82/95/388778295.db2.gz ZZRPLUMRNZWJQG-LLVKDONJSA-N 2 2 223.320 1.367 10 0 BDAELP Cc1c[nH+]cc(N2CC[C@@H]3C[NH2+][C@@H]3C2)c1 ZINC000035080300 132294929 /nfs/dbraw/zinc/29/49/29/132294929.db2.gz VRIYWCYUXQMBTC-ZYHUDNBSSA-N 2 2 203.289 1.188 10 0 BDAELP CCc1nc(N2CCC(C[NH3+])CC2)c(C)c(C)[nH+]1 ZINC000045954899 132299331 /nfs/dbraw/zinc/29/93/31/132299331.db2.gz FYMDWJLRWCNGMQ-UHFFFAOYSA-N 2 2 248.374 1.831 10 0 BDAELP CC(C)(C)c1c[nH+]cc(N2CC[NH2+]CC2)c1 ZINC000040456492 132347863 /nfs/dbraw/zinc/34/78/63/132347863.db2.gz HYLXOINGLAULAR-UHFFFAOYSA-N 2 2 219.332 1.789 10 0 BDAELP C[NH+](C)c1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058445757 132368108 /nfs/dbraw/zinc/36/81/08/132368108.db2.gz MYBIENAAMHCREB-UHFFFAOYSA-N 2 2 233.359 1.941 10 0 BDAELP c1cn(CCCN2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000182763658 134347932 /nfs/dbraw/zinc/34/79/32/134347932.db2.gz GIMATLDDBYKSOM-CYBMUJFWSA-N 2 2 234.347 1.053 10 0 BDAELP c1cn(CCCN2CC[N@H+]3CCC[C@@H]3C2)c[nH+]1 ZINC000182763658 134347933 /nfs/dbraw/zinc/34/79/33/134347933.db2.gz GIMATLDDBYKSOM-CYBMUJFWSA-N 2 2 234.347 1.053 10 0 BDAELP CC(C)[NH2+]CC[N@H+](C)[C@H]1CCCC[C@H]1O ZINC000252918121 135116700 /nfs/dbraw/zinc/11/67/00/135116700.db2.gz CGHGGEVMPGLRSK-NWDGAFQWSA-N 2 2 214.353 1.220 10 0 BDAELP CC(C)[NH2+]CC[N@@H+](C)[C@H]1CCCC[C@H]1O ZINC000252918121 135116702 /nfs/dbraw/zinc/11/67/02/135116702.db2.gz CGHGGEVMPGLRSK-NWDGAFQWSA-N 2 2 214.353 1.220 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1[NH3+] ZINC000261533907 135165870 /nfs/dbraw/zinc/16/58/70/135165870.db2.gz LCYFESHONPJJDN-BXKDBHETSA-N 2 2 223.295 1.390 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1[NH3+] ZINC000261533907 135165871 /nfs/dbraw/zinc/16/58/71/135165871.db2.gz LCYFESHONPJJDN-BXKDBHETSA-N 2 2 223.295 1.390 10 0 BDAELP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)CCO1 ZINC000261538194 135175681 /nfs/dbraw/zinc/17/56/81/135175681.db2.gz RBGMCSGJUYETIL-WDEREUQCSA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)CCO1 ZINC000261538194 135175682 /nfs/dbraw/zinc/17/56/82/135175682.db2.gz RBGMCSGJUYETIL-WDEREUQCSA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@H]1C[N@H+](C[C@H]2CCCC(F)(F)C2)CCO1 ZINC000261538193 135175718 /nfs/dbraw/zinc/17/57/18/135175718.db2.gz RBGMCSGJUYETIL-QWRGUYRKSA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CCCC(F)(F)C2)CCO1 ZINC000261538193 135175719 /nfs/dbraw/zinc/17/57/19/135175719.db2.gz RBGMCSGJUYETIL-QWRGUYRKSA-N 2 2 248.317 1.471 10 0 BDAELP C[C@]1(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929146 135263175 /nfs/dbraw/zinc/26/31/75/135263175.db2.gz CORDTRADEKJZMB-AAEUAGOBSA-N 3 2 225.380 1.045 10 0 BDAELP C[C@]1(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929146 135263177 /nfs/dbraw/zinc/26/31/77/135263177.db2.gz CORDTRADEKJZMB-AAEUAGOBSA-N 3 2 225.380 1.045 10 0 BDAELP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1)c1ccccn1 ZINC000258976681 322880740 /nfs/dbraw/zinc/88/07/40/322880740.db2.gz LTTZIONHZDNSRR-LLVKDONJSA-N 2 2 219.332 1.311 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000309044082 410854907 /nfs/dbraw/zinc/85/49/07/410854907.db2.gz NDXRXRWWLFDCAT-KIJLLGNVSA-N 2 2 210.365 1.961 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[C@H]2C)C1 ZINC000309044082 410854911 /nfs/dbraw/zinc/85/49/11/410854911.db2.gz NDXRXRWWLFDCAT-KIJLLGNVSA-N 2 2 210.365 1.961 10 0 BDAELP CCOC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000395474551 410855199 /nfs/dbraw/zinc/85/51/99/410855199.db2.gz JJSKRQMFNYXTDM-QWHCGFSZSA-N 2 2 228.380 1.731 10 0 BDAELP CCOC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000395474551 410855204 /nfs/dbraw/zinc/85/52/04/410855204.db2.gz JJSKRQMFNYXTDM-QWHCGFSZSA-N 2 2 228.380 1.731 10 0 BDAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049204008 167396002 /nfs/dbraw/zinc/39/60/02/167396002.db2.gz YNIQETIZJYZBCC-MCIONIFRSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)[C@@](C)(CO)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000398450964 410965080 /nfs/dbraw/zinc/96/50/80/410965080.db2.gz CBUGIHBIDLUKIA-NWDGAFQWSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)[C@@](C)(CO)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000398450964 410965084 /nfs/dbraw/zinc/96/50/84/410965084.db2.gz CBUGIHBIDLUKIA-NWDGAFQWSA-N 2 2 214.353 1.077 10 0 BDAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304263093 411356035 /nfs/dbraw/zinc/35/60/35/411356035.db2.gz UGYZWKQMASWHIL-GHMZBOCLSA-N 2 2 225.336 1.268 10 0 BDAELP Nc1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616615806 411390730 /nfs/dbraw/zinc/39/07/30/411390730.db2.gz BNKCBYLYZWFHIF-ZDUSSCGKSA-N 2 2 219.332 1.755 10 0 BDAELP Nc1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616615806 411390736 /nfs/dbraw/zinc/39/07/36/411390736.db2.gz BNKCBYLYZWFHIF-ZDUSSCGKSA-N 2 2 219.332 1.755 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131070552 411400917 /nfs/dbraw/zinc/40/09/17/411400917.db2.gz CLZVKODOCHQGRS-TUAOUCFPSA-N 2 2 247.342 1.654 10 0 BDAELP [NH3+]CC1(CC[NH+]=c2[nH]c3ccccc3[nH]2)CC1 ZINC000404822957 411408191 /nfs/dbraw/zinc/40/81/91/411408191.db2.gz FIFPQHGGQITETJ-UHFFFAOYSA-N 2 2 230.315 1.526 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000328337773 170022065 /nfs/dbraw/zinc/02/20/65/170022065.db2.gz JTONUJVNDFGAKW-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000328337773 170022067 /nfs/dbraw/zinc/02/20/67/170022067.db2.gz JTONUJVNDFGAKW-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000339526789 170035758 /nfs/dbraw/zinc/03/57/58/170035758.db2.gz FDKYGFORJRDZEL-DRZSPHRISA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C[C@H](OC)C2CC2)[C@@H](C)C1 ZINC000339526789 170035760 /nfs/dbraw/zinc/03/57/60/170035760.db2.gz FDKYGFORJRDZEL-DRZSPHRISA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000309965423 170038614 /nfs/dbraw/zinc/03/86/14/170038614.db2.gz NFZKDXGVRUEQBF-WUHRBBMRSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000309965423 170038615 /nfs/dbraw/zinc/03/86/15/170038615.db2.gz NFZKDXGVRUEQBF-WUHRBBMRSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000336761634 170038694 /nfs/dbraw/zinc/03/86/94/170038694.db2.gz MWAUFLFAXRKJJG-SDDRHHMPSA-N 2 2 228.405 1.669 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000336761634 170038695 /nfs/dbraw/zinc/03/86/95/170038695.db2.gz MWAUFLFAXRKJJG-SDDRHHMPSA-N 2 2 228.405 1.669 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000336778759 170040244 /nfs/dbraw/zinc/04/02/44/170040244.db2.gz MFSSFAHPOFQMHH-WUHRBBMRSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)C1 ZINC000336778759 170040245 /nfs/dbraw/zinc/04/02/45/170040245.db2.gz MFSSFAHPOFQMHH-WUHRBBMRSA-N 2 2 226.364 1.341 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712467 170151513 /nfs/dbraw/zinc/15/15/13/170151513.db2.gz DDPUSHHPHFFENM-GXTWGEPZSA-N 2 2 233.359 1.902 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712467 170151515 /nfs/dbraw/zinc/15/15/15/170151515.db2.gz DDPUSHHPHFFENM-GXTWGEPZSA-N 2 2 233.359 1.902 10 0 BDAELP CC[NH2+][C@H](C)c1csc(C[NH+](C)C)n1 ZINC000070841492 170159818 /nfs/dbraw/zinc/15/98/18/170159818.db2.gz MOANXKDIKHWJIO-MRVPVSSYSA-N 2 2 213.350 1.875 10 0 BDAELP CCOC1CC([NH2+][C@H]2CC[N@H+](CC)C2)C1 ZINC000328325425 170329961 /nfs/dbraw/zinc/32/99/61/170329961.db2.gz FVUSNRGHRJGXPG-UNXYVOJBSA-N 2 2 212.337 1.238 10 0 BDAELP CCOC1CC([NH2+][C@H]2CC[N@@H+](CC)C2)C1 ZINC000328325425 170329963 /nfs/dbraw/zinc/32/99/63/170329963.db2.gz FVUSNRGHRJGXPG-UNXYVOJBSA-N 2 2 212.337 1.238 10 0 BDAELP C[N@@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616686988 411890927 /nfs/dbraw/zinc/89/09/27/411890927.db2.gz ONZHQWVTWFEUSJ-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616686988 411890930 /nfs/dbraw/zinc/89/09/30/411890930.db2.gz ONZHQWVTWFEUSJ-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2cc(C[NH3+])oc2C)CCO1 ZINC000052477212 171089683 /nfs/dbraw/zinc/08/96/83/171089683.db2.gz LIAWGKAOMWWRAQ-GFCCVEGCSA-N 2 2 238.331 1.658 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2cc(C[NH3+])oc2C)CCO1 ZINC000052477212 171089688 /nfs/dbraw/zinc/08/96/88/171089688.db2.gz LIAWGKAOMWWRAQ-GFCCVEGCSA-N 2 2 238.331 1.658 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2occc2C[NH2+]C)CCO1 ZINC000052477007 171094909 /nfs/dbraw/zinc/09/49/09/171094909.db2.gz WWLXNQVWMJIFHA-GFCCVEGCSA-N 2 2 238.331 1.610 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2occc2C[NH2+]C)CCO1 ZINC000052477007 171094911 /nfs/dbraw/zinc/09/49/11/171094911.db2.gz WWLXNQVWMJIFHA-GFCCVEGCSA-N 2 2 238.331 1.610 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1C(C)(C)C[NH3+] ZINC000042450406 171111741 /nfs/dbraw/zinc/11/17/41/171111741.db2.gz FRDOSWMIMKVVCK-NXEZZACHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1C(C)(C)C[NH3+] ZINC000042450406 171111743 /nfs/dbraw/zinc/11/17/43/171111743.db2.gz FRDOSWMIMKVVCK-NXEZZACHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H](C)NC(=O)C[NH2+]CCC[NH+](CC)CC ZINC000020052105 171326125 /nfs/dbraw/zinc/32/61/25/171326125.db2.gz HITGWWWGQJYDRM-LBPRGKRZSA-N 2 2 243.395 1.223 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCOCC1(C)C ZINC000042463170 171372250 /nfs/dbraw/zinc/37/22/50/171372250.db2.gz DQYWFBZFZVXMTQ-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCOCC1(C)C ZINC000042463170 171372252 /nfs/dbraw/zinc/37/22/52/171372252.db2.gz DQYWFBZFZVXMTQ-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+](CCOC)[C@@H](C)COC ZINC000042610835 171372741 /nfs/dbraw/zinc/37/27/41/171372741.db2.gz SNHWWDLVVWATNT-AVGNSLFASA-N 2 2 246.395 1.343 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+](CCOC)[C@@H](C)COC ZINC000042610835 171372742 /nfs/dbraw/zinc/37/27/42/171372742.db2.gz SNHWWDLVVWATNT-AVGNSLFASA-N 2 2 246.395 1.343 10 0 BDAELP CCc1[nH+]ccn1Cc1ccc[nH+]c1NC ZINC000052733948 172027657 /nfs/dbraw/zinc/02/76/57/172027657.db2.gz LCQWMYIHZSHGJH-UHFFFAOYSA-N 2 2 216.288 1.931 10 0 BDAELP CCn1c(CCC[NH3+])[nH+]c2cc(OC)ccc21 ZINC000074297522 172143282 /nfs/dbraw/zinc/14/32/82/172143282.db2.gz JFUQLLCFPYIFAX-UHFFFAOYSA-N 2 2 233.315 1.956 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267107 172222184 /nfs/dbraw/zinc/22/21/84/172222184.db2.gz MYKYBCDUAIIRGF-STQMWFEESA-N 2 2 248.374 1.572 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267107 172222186 /nfs/dbraw/zinc/22/21/86/172222186.db2.gz MYKYBCDUAIIRGF-STQMWFEESA-N 2 2 248.374 1.572 10 0 BDAELP CCn1ncc(C[N@@H+]2CCC[C@H]2C[NH3+])c1C ZINC000020315843 172254943 /nfs/dbraw/zinc/25/49/43/172254943.db2.gz BNRXXYSKZABPDZ-LBPRGKRZSA-N 2 2 222.336 1.135 10 0 BDAELP CCn1ncc(C[N@H+]2CCC[C@H]2C[NH3+])c1C ZINC000020315843 172254946 /nfs/dbraw/zinc/25/49/46/172254946.db2.gz BNRXXYSKZABPDZ-LBPRGKRZSA-N 2 2 222.336 1.135 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1CC[NH2+]CCn1cc[nH+]c1 ZINC000049857921 173004839 /nfs/dbraw/zinc/00/48/39/173004839.db2.gz OGCBRRFJQJGUNB-CYBMUJFWSA-N 3 2 236.363 1.347 10 0 BDAELP C[N@H+]1CCCC[C@@H]1CC[NH2+]CCn1cc[nH+]c1 ZINC000049857921 173004840 /nfs/dbraw/zinc/00/48/40/173004840.db2.gz OGCBRRFJQJGUNB-CYBMUJFWSA-N 3 2 236.363 1.347 10 0 BDAELP C[N@H+]1Cc2cc(Cl)ccc2[C@H](C[NH3+])C1 ZINC000057496432 173199917 /nfs/dbraw/zinc/19/99/17/173199917.db2.gz CJPDTBOSQCVPNH-SECBINFHSA-N 2 2 210.708 1.828 10 0 BDAELP C[N@@H+]1Cc2cc(Cl)ccc2[C@H](C[NH3+])C1 ZINC000057496432 173199921 /nfs/dbraw/zinc/19/99/21/173199921.db2.gz CJPDTBOSQCVPNH-SECBINFHSA-N 2 2 210.708 1.828 10 0 BDAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000042407792 173378014 /nfs/dbraw/zinc/37/80/14/173378014.db2.gz KTKSQRFEJTYOQG-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000042407792 173378016 /nfs/dbraw/zinc/37/80/16/173378016.db2.gz KTKSQRFEJTYOQG-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052382330 173391497 /nfs/dbraw/zinc/39/14/97/173391497.db2.gz TZMZWVVNJDAUMH-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052382330 173391498 /nfs/dbraw/zinc/39/14/98/173391498.db2.gz TZMZWVVNJDAUMH-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP COC1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC000037266521 174027865 /nfs/dbraw/zinc/02/78/65/174027865.db2.gz JPAPNNIXAGNPKC-NSHDSACASA-N 2 2 212.337 1.239 10 0 BDAELP COCCC[N@H+](C)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000062029361 174220657 /nfs/dbraw/zinc/22/06/57/174220657.db2.gz ZAMMLKNKEKZJGM-YPMHNXCESA-N 2 2 237.347 1.438 10 0 BDAELP COCCC[N@@H+](C)[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000062029361 174220658 /nfs/dbraw/zinc/22/06/58/174220658.db2.gz ZAMMLKNKEKZJGM-YPMHNXCESA-N 2 2 237.347 1.438 10 0 BDAELP COCCC[N@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000062029533 174220750 /nfs/dbraw/zinc/22/07/50/174220750.db2.gz UEMXJLIKPUNNBC-CQSZACIVSA-N 2 2 236.359 1.963 10 0 BDAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000062029533 174220752 /nfs/dbraw/zinc/22/07/52/174220752.db2.gz UEMXJLIKPUNNBC-CQSZACIVSA-N 2 2 236.359 1.963 10 0 BDAELP COCC[N@H+](C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043036265 174282794 /nfs/dbraw/zinc/28/27/94/174282794.db2.gz JWHGSKWGCFKLHL-TZMCWYRMSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043036265 174282795 /nfs/dbraw/zinc/28/27/95/174282795.db2.gz JWHGSKWGCFKLHL-TZMCWYRMSA-N 2 2 236.359 1.962 10 0 BDAELP COc1cc([C@H]([NH3+])C[NH3+])cc(Cl)c1O ZINC000072200923 175017242 /nfs/dbraw/zinc/01/72/42/175017242.db2.gz RXGLHJGMZNEAJL-SSDOTTSWSA-N 2 2 216.668 1.013 10 0 BDAELP COc1ccc(C)cc1[C@@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000052943502 175080442 /nfs/dbraw/zinc/08/04/42/175080442.db2.gz IUZOVXCYQWYUHO-NSHDSACASA-N 2 2 231.299 1.969 10 0 BDAELP COc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC000049660999 175100829 /nfs/dbraw/zinc/10/08/29/175100829.db2.gz PFBNDDPLVISIJS-LBPRGKRZSA-N 2 2 234.343 1.737 10 0 BDAELP COc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cc1 ZINC000049660999 175100830 /nfs/dbraw/zinc/10/08/30/175100830.db2.gz PFBNDDPLVISIJS-LBPRGKRZSA-N 2 2 234.343 1.737 10 0 BDAELP COc1ccc([C@@H]([NH3+])C[NH3+])cc1Br ZINC000038052127 175179800 /nfs/dbraw/zinc/17/98/00/175179800.db2.gz NIJXGSNHKAWETB-QMMMGPOBSA-N 2 2 245.120 1.416 10 0 BDAELP COc1cccc([C@@H](C[NH3+])n2cc[nH+]c2)c1 ZINC000043028745 175287552 /nfs/dbraw/zinc/28/75/52/175287552.db2.gz UDIYGFIQWQCJIX-GFCCVEGCSA-N 2 2 217.272 1.440 10 0 BDAELP COc1cccc2c([C@@H](C[NH3+])[NH+](C)C)c[nH]c21 ZINC000082605158 175300247 /nfs/dbraw/zinc/30/02/47/175300247.db2.gz MZDYWCKVIJXYKJ-LLVKDONJSA-N 2 2 233.315 1.738 10 0 BDAELP COc1ccccc1Cn1cc[nH+]c1CC[NH3+] ZINC000052304287 175335013 /nfs/dbraw/zinc/33/50/13/175335013.db2.gz HJKIWXPFICCFRI-UHFFFAOYSA-N 2 2 231.299 1.441 10 0 BDAELP C[C@@H](c1ccc2c(c1)OCCO2)[N@H+](C)CC[NH3+] ZINC000054416683 176016869 /nfs/dbraw/zinc/01/68/69/176016869.db2.gz RCXAIQXQAPQCPM-JTQLQIEISA-N 2 2 236.315 1.409 10 0 BDAELP C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)CC[NH3+] ZINC000054416683 176016870 /nfs/dbraw/zinc/01/68/70/176016870.db2.gz RCXAIQXQAPQCPM-JTQLQIEISA-N 2 2 236.315 1.409 10 0 BDAELP C[C@@H](c1ccc(O)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027762 176016915 /nfs/dbraw/zinc/01/69/15/176016915.db2.gz VPUDRMCLJBUJDG-JQWIXIFHSA-N 2 2 220.316 1.876 10 0 BDAELP C[C@@H](c1ccc(O)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027762 176016916 /nfs/dbraw/zinc/01/69/16/176016916.db2.gz VPUDRMCLJBUJDG-JQWIXIFHSA-N 2 2 220.316 1.876 10 0 BDAELP C[C@@H](c1cnn(C)c1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540598 176036631 /nfs/dbraw/zinc/03/66/31/176036631.db2.gz LSTXYGZOIYWZSE-CMPLNLGQSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@@H](c1cnn(C)c1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044540598 176036633 /nfs/dbraw/zinc/03/66/33/176036633.db2.gz LSTXYGZOIYWZSE-CMPLNLGQSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@@H]1CC[N@H+](CCCn2ccnc2)[C@H](C[NH3+])C1 ZINC000104418221 176170265 /nfs/dbraw/zinc/17/02/65/176170265.db2.gz BHXAWAWIGNXURN-OLZOCXBDSA-N 2 2 236.363 1.332 10 0 BDAELP C[C@@H]1CC[N@@H+](CCCn2ccnc2)[C@H](C[NH3+])C1 ZINC000104418221 176170268 /nfs/dbraw/zinc/17/02/68/176170268.db2.gz BHXAWAWIGNXURN-OLZOCXBDSA-N 2 2 236.363 1.332 10 0 BDAELP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000104418221 176170271 /nfs/dbraw/zinc/17/02/71/176170271.db2.gz BHXAWAWIGNXURN-OLZOCXBDSA-N 3 2 236.363 1.332 10 0 BDAELP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000104418221 176170273 /nfs/dbraw/zinc/17/02/73/176170273.db2.gz BHXAWAWIGNXURN-OLZOCXBDSA-N 3 2 236.363 1.332 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccn1 ZINC000071509820 176185437 /nfs/dbraw/zinc/18/54/37/176185437.db2.gz MCLFHDWQEHUKHA-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccn1 ZINC000071509820 176185436 /nfs/dbraw/zinc/18/54/36/176185436.db2.gz MCLFHDWQEHUKHA-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCCCC2)CCO1 ZINC000019482643 176279745 /nfs/dbraw/zinc/27/97/45/176279745.db2.gz ZUXDJCMIALDMEG-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCCCC2)CCO1 ZINC000019482643 176279747 /nfs/dbraw/zinc/27/97/47/176279747.db2.gz ZUXDJCMIALDMEG-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP C[C@@H]1C[NH+](CC[C@@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000026515219 176292407 /nfs/dbraw/zinc/29/24/07/176292407.db2.gz KQGUQLJEJBDBSF-UPJWGTAASA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1C[N@H+](Cc2occc2C[NH3+])[C@H](C)CO1 ZINC000052476444 176313544 /nfs/dbraw/zinc/31/35/44/176313544.db2.gz PLUBYZZHGRHQKE-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2occc2C[NH3+])[C@H](C)CO1 ZINC000052476444 176313545 /nfs/dbraw/zinc/31/35/45/176313545.db2.gz PLUBYZZHGRHQKE-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH]c[nH+]1 ZINC000093437445 176323684 /nfs/dbraw/zinc/32/36/84/176323684.db2.gz QWCLIKYQQOGTGU-ZYHUDNBSSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH]c[nH+]1 ZINC000093437445 176323686 /nfs/dbraw/zinc/32/36/86/176323686.db2.gz QWCLIKYQQOGTGU-ZYHUDNBSSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c[nH]1 ZINC000093437445 176323687 /nfs/dbraw/zinc/32/36/87/176323687.db2.gz QWCLIKYQQOGTGU-ZYHUDNBSSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c[nH]1 ZINC000093437445 176323689 /nfs/dbraw/zinc/32/36/89/176323689.db2.gz QWCLIKYQQOGTGU-ZYHUDNBSSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc[nH+]c(N)c1 ZINC000251767654 176324744 /nfs/dbraw/zinc/32/47/44/176324744.db2.gz MEKZHBMUAFOUMJ-YPMHNXCESA-N 2 2 246.358 1.332 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc[nH+]c(N)c1 ZINC000251767654 176324746 /nfs/dbraw/zinc/32/47/46/176324746.db2.gz MEKZHBMUAFOUMJ-YPMHNXCESA-N 2 2 246.358 1.332 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccccn2)C1 ZINC000049662105 176325716 /nfs/dbraw/zinc/32/57/16/176325716.db2.gz NTKNXVXFUTYRIZ-LLVKDONJSA-N 2 2 205.305 1.123 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccn2)C1 ZINC000049662105 176325718 /nfs/dbraw/zinc/32/57/18/176325718.db2.gz NTKNXVXFUTYRIZ-LLVKDONJSA-N 2 2 205.305 1.123 10 0 BDAELP C[C@H](c1ccc(O)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086840 177035825 /nfs/dbraw/zinc/03/58/25/177035825.db2.gz LGDOMGDBJVZOMZ-LLVKDONJSA-N 2 2 220.316 1.749 10 0 BDAELP C[C@H](c1ccc(O)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000038086840 177035827 /nfs/dbraw/zinc/03/58/27/177035827.db2.gz LGDOMGDBJVZOMZ-LLVKDONJSA-N 2 2 220.316 1.749 10 0 BDAELP C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000095068291 177044032 /nfs/dbraw/zinc/04/40/32/177044032.db2.gz GIMFWFPUAQUKAV-GHMZBOCLSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@H](c1ccccn1)[N@H+]1CCC[C@@H]1C[NH3+] ZINC000095068291 177044033 /nfs/dbraw/zinc/04/40/33/177044033.db2.gz GIMFWFPUAQUKAV-GHMZBOCLSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H]1CC([NH2+][C@@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000096033767 177065278 /nfs/dbraw/zinc/06/52/78/177065278.db2.gz SVGGRQLLHSQLCK-FBTJUVTCSA-N 2 2 212.337 1.236 10 0 BDAELP C[C@@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000096033767 177065280 /nfs/dbraw/zinc/06/52/80/177065280.db2.gz SVGGRQLLHSQLCK-FBTJUVTCSA-N 2 2 212.337 1.236 10 0 BDAELP C[C@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235646132 177162351 /nfs/dbraw/zinc/16/23/51/177162351.db2.gz HGFRWBGLUTWVEQ-WCQYABFASA-N 2 2 236.363 1.022 10 0 BDAELP C[C@H]1CC[N@@H+](CCc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235646132 177162352 /nfs/dbraw/zinc/16/23/52/177162352.db2.gz HGFRWBGLUTWVEQ-WCQYABFASA-N 2 2 236.363 1.022 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccn1 ZINC000071509821 177174628 /nfs/dbraw/zinc/17/46/28/177174628.db2.gz MCLFHDWQEHUKHA-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccn1 ZINC000071509821 177174630 /nfs/dbraw/zinc/17/46/30/177174630.db2.gz MCLFHDWQEHUKHA-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341464254 177237959 /nfs/dbraw/zinc/23/79/59/177237959.db2.gz PUFVZFNIWRQZSR-FMCLSXCISA-N 2 2 240.391 1.730 10 0 BDAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341464254 177237961 /nfs/dbraw/zinc/23/79/61/177237961.db2.gz PUFVZFNIWRQZSR-FMCLSXCISA-N 2 2 240.391 1.730 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C[N@@H+]1C1CC1 ZINC000119140505 177330765 /nfs/dbraw/zinc/33/07/65/177330765.db2.gz JNPKNXWNNOGZCA-WCQYABFASA-N 2 2 238.375 1.628 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C[N@H+]1C1CC1 ZINC000119140505 177330766 /nfs/dbraw/zinc/33/07/66/177330766.db2.gz JNPKNXWNNOGZCA-WCQYABFASA-N 2 2 238.375 1.628 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958477 323035185 /nfs/dbraw/zinc/03/51/85/323035185.db2.gz JUTDDTHQMVHTPY-MGPQQGTHSA-N 3 2 239.407 1.448 10 0 BDAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000562958477 323035186 /nfs/dbraw/zinc/03/51/86/323035186.db2.gz JUTDDTHQMVHTPY-MGPQQGTHSA-N 3 2 239.407 1.448 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000394977356 323184930 /nfs/dbraw/zinc/18/49/30/323184930.db2.gz CKCGTNFQLJXXSW-WISYIIOYSA-N 2 2 212.337 1.236 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000394977356 323184931 /nfs/dbraw/zinc/18/49/31/323184931.db2.gz CKCGTNFQLJXXSW-WISYIIOYSA-N 2 2 212.337 1.236 10 0 BDAELP c1cc2n(n1)C[C@H](CNc1cccc[nH+]1)C[NH2+]C2 ZINC000253595629 324191945 /nfs/dbraw/zinc/19/19/45/324191945.db2.gz GTZAHDGKDNTHBC-NSHDSACASA-N 2 2 243.314 1.110 10 0 BDAELP Clc1c[nH+]ccc1NC[C@H]1COCC[NH2+]1 ZINC000236037733 488038137 /nfs/dbraw/zinc/03/81/37/488038137.db2.gz CLGYUSNHWRFFRN-QMMMGPOBSA-N 2 2 227.695 1.135 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500364 488099874 /nfs/dbraw/zinc/09/98/74/488099874.db2.gz BXFAXYYTXVQARX-MROQNXINSA-N 2 2 208.349 1.859 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000389500364 488099880 /nfs/dbraw/zinc/09/98/80/488099880.db2.gz BXFAXYYTXVQARX-MROQNXINSA-N 2 2 208.349 1.859 10 0 BDAELP CCc1nn(C)cc1C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000168859481 487548126 /nfs/dbraw/zinc/54/81/26/487548126.db2.gz ZPHYTFKLDCVTKX-GFCCVEGCSA-N 2 2 236.363 1.296 10 0 BDAELP CCc1nn(C)cc1C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000168859481 487548132 /nfs/dbraw/zinc/54/81/32/487548132.db2.gz ZPHYTFKLDCVTKX-GFCCVEGCSA-N 2 2 236.363 1.296 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668240497 487532049 /nfs/dbraw/zinc/53/20/49/487532049.db2.gz KHHRPCHYHKTZGJ-XQQFMLRXSA-N 2 2 224.348 1.238 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000668240497 487532054 /nfs/dbraw/zinc/53/20/54/487532054.db2.gz KHHRPCHYHKTZGJ-XQQFMLRXSA-N 2 2 224.348 1.238 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCOC1 ZINC000070013389 490196488 /nfs/dbraw/zinc/19/64/88/490196488.db2.gz JTCUAKFEKZXZSJ-CHWSQXEVSA-N 2 2 228.380 1.731 10 0 BDAELP COc1ccc[nH+]c1NCCC1CC[NH2+]CC1 ZINC000212944721 491079302 /nfs/dbraw/zinc/07/93/02/491079302.db2.gz DZGFASSDXVQMBX-UHFFFAOYSA-N 2 2 235.331 1.892 10 0 BDAELP C(C1CC1)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757125679 582500091 /nfs/dbraw/zinc/50/00/91/582500091.db2.gz FKURTMYFNKIDJS-AWEZNQCLSA-N 2 2 220.360 1.957 10 0 BDAELP C(C1CC1)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757125679 582500093 /nfs/dbraw/zinc/50/00/93/582500093.db2.gz FKURTMYFNKIDJS-AWEZNQCLSA-N 2 2 220.360 1.957 10 0 BDAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757217816 582561562 /nfs/dbraw/zinc/56/15/62/582561562.db2.gz SQEHKOFJMCHYHT-WCQYABFASA-N 2 2 215.300 1.920 10 0 BDAELP CC(=O)c1ccc([C@@H]2C[C@@H](C)[C@H]([NH3+])C[NH2+]2)cc1 ZINC000757218517 582562297 /nfs/dbraw/zinc/56/22/97/582562297.db2.gz VNKGTEPDYZJKMY-FZQKWOKYSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cccc(C=O)c2)[C@@H]1[NH3+] ZINC000757207943 586437953 /nfs/dbraw/zinc/43/79/53/586437953.db2.gz BZHQVRBGQQKYKQ-OASPWFOLSA-N 2 2 218.300 1.497 10 0 BDAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1cccc(C=O)c1 ZINC000757213448 586439928 /nfs/dbraw/zinc/43/99/28/586439928.db2.gz KFLYDZYUGRYZNT-VXGBXAGGSA-N 2 2 204.273 1.251 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214542 586440241 /nfs/dbraw/zinc/44/02/41/586440241.db2.gz MPKYWJCYNHTCOS-WQAKAFBOSA-N 3 2 219.332 1.286 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000757217996 586441791 /nfs/dbraw/zinc/44/17/91/586441791.db2.gz UCIJPLQURXPKRG-OWYVNGRQSA-N 2 2 232.327 1.887 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+]C[C@@H](C)C[C@@H]1[NH3+] ZINC000757239268 586444241 /nfs/dbraw/zinc/44/42/41/586444241.db2.gz TYJODZGDBZHUEM-HJIKLVIJSA-N 2 2 219.332 1.575 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cnn(C(C)(C)C)c2)[C@H]1[NH3+] ZINC000757239594 586444269 /nfs/dbraw/zinc/44/42/69/586444269.db2.gz UYIYLCSXZIXBOM-USWWRNFRSA-N 2 2 236.363 1.636 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000070585973 643043714 /nfs/dbraw/zinc/04/37/14/643043714.db2.gz GATFNBZRHHMKGK-BFHYXJOUSA-N 2 2 216.328 1.966 10 0 BDAELP [NH3+][C@H]1CCC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000070585973 643043717 /nfs/dbraw/zinc/04/37/17/643043717.db2.gz GATFNBZRHHMKGK-BFHYXJOUSA-N 2 2 216.328 1.966 10 0 BDAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000250732220 644777919 /nfs/dbraw/zinc/77/79/19/644777919.db2.gz KTKSQRFEJTYOQG-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000250732220 644777925 /nfs/dbraw/zinc/77/79/25/644777925.db2.gz KTKSQRFEJTYOQG-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CCC1([NH3+])CCN(c2cccc[nH+]2)CC1 ZINC000714752577 712497296 /nfs/dbraw/zinc/49/72/96/712497296.db2.gz XPGPJATXLKIMPJ-UHFFFAOYSA-N 2 2 205.305 1.789 10 0 BDAELP [NH3+]C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(F)(F)F ZINC000720873860 712873370 /nfs/dbraw/zinc/87/33/70/712873370.db2.gz WSXQHPUXTQMZFY-DTWKUNHWSA-N 2 2 245.248 1.655 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1ccncc1 ZINC000396590365 262806713 /nfs/dbraw/zinc/80/67/13/262806713.db2.gz STTRIUWPSRRYKH-LOWVWBTDSA-N 2 2 219.332 1.873 10 0 BDAELP Cc1cc2[nH+]cn([C@H]3C[NH2+]C[C@@H]3O)c2cc1C ZINC000104253786 178306291 /nfs/dbraw/zinc/30/62/91/178306291.db2.gz HLUYWWGNOZFOCE-STQMWFEESA-N 2 2 231.299 1.158 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616612917 349603080 /nfs/dbraw/zinc/60/30/80/349603080.db2.gz ZTGAPWWRTAKURW-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616612917 349603083 /nfs/dbraw/zinc/60/30/83/349603083.db2.gz ZTGAPWWRTAKURW-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1F ZINC000072201025 343069746 /nfs/dbraw/zinc/06/97/46/343069746.db2.gz IHHNLURTBDNCKE-SSDOTTSWSA-N 2 2 222.185 1.803 10 0 BDAELP Cc1cc(NC(=O)C[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000092349825 343147721 /nfs/dbraw/zinc/14/77/21/343147721.db2.gz SZDFWSOLSBFMJA-LLVKDONJSA-N 2 2 233.315 1.718 10 0 BDAELP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393083 529690639 /nfs/dbraw/zinc/69/06/39/529690639.db2.gz NTKNEXPYMQGAAT-YNEHKIRRSA-N 3 2 227.396 1.304 10 0 BDAELP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393083 529690640 /nfs/dbraw/zinc/69/06/40/529690640.db2.gz NTKNEXPYMQGAAT-YNEHKIRRSA-N 3 2 227.396 1.304 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000247243956 343377469 /nfs/dbraw/zinc/37/74/69/343377469.db2.gz NFVFNAIXKHFLJT-RYUDHWBXSA-N 2 2 234.347 1.089 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000247243956 343377471 /nfs/dbraw/zinc/37/74/71/343377471.db2.gz NFVFNAIXKHFLJT-RYUDHWBXSA-N 2 2 234.347 1.089 10 0 BDAELP C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671389 343408321 /nfs/dbraw/zinc/40/83/21/343408321.db2.gz YVZVBESUFXMARG-UKRRQHHQSA-N 2 2 248.370 1.274 10 0 BDAELP C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671389 343408323 /nfs/dbraw/zinc/40/83/23/343408323.db2.gz YVZVBESUFXMARG-UKRRQHHQSA-N 2 2 248.370 1.274 10 0 BDAELP c1nc(NC[C@H]2CCC[NH2+]2)cc(N2CCCC2)[nH+]1 ZINC000258736371 136373804 /nfs/dbraw/zinc/37/38/04/136373804.db2.gz VTQBGMOBDDNULC-LLVKDONJSA-N 2 2 247.346 1.241 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712083519 537783450 /nfs/dbraw/zinc/78/34/50/537783450.db2.gz DIQWCIRBAUITKB-CYBMUJFWSA-N 3 2 237.391 1.426 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000712090541 537783507 /nfs/dbraw/zinc/78/35/07/537783507.db2.gz YAOPQMTVRYFEMF-CYBMUJFWSA-N 3 2 239.407 1.530 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000712090541 537783513 /nfs/dbraw/zinc/78/35/13/537783513.db2.gz YAOPQMTVRYFEMF-CYBMUJFWSA-N 3 2 239.407 1.530 10 0 BDAELP CCc1nc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cs1 ZINC000400566398 529740509 /nfs/dbraw/zinc/74/05/09/529740509.db2.gz IXDTUPRWAXDFCZ-UWVGGRQHSA-N 2 2 239.388 1.793 10 0 BDAELP CCCC[C@H](C[NH3+])Nc1cc(C)[nH+]cn1 ZINC000087780237 343660340 /nfs/dbraw/zinc/66/03/40/343660340.db2.gz OFHPBJQJWMCJAV-SNVBAGLBSA-N 2 2 208.309 1.714 10 0 BDAELP CN(c1[nH+]cccc1N)C1CC[NH+](C)CC1 ZINC000020317350 343775180 /nfs/dbraw/zinc/77/51/80/343775180.db2.gz BRLFBRQZNYXMKY-UHFFFAOYSA-N 2 2 220.320 1.194 10 0 BDAELP CCOc1ccc([C@H]([NH3+])C[NH3+])cc1OC ZINC000044469085 344539696 /nfs/dbraw/zinc/53/96/96/344539696.db2.gz XXMIULXHLXDBIY-SECBINFHSA-N 2 2 210.277 1.052 10 0 BDAELP C[C@H]1C[NH+](C2(C[NH3+])CC2)C[C@H](C)S1 ZINC000235638203 344961076 /nfs/dbraw/zinc/96/10/76/344961076.db2.gz MUXXUGOCSBODOG-IUCAKERBSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H](c1nccs1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081894 345035776 /nfs/dbraw/zinc/03/57/76/345035776.db2.gz QIPBCQADTVKWCS-ZJUUUORDSA-N 2 2 225.361 1.745 10 0 BDAELP C[C@H](c1nccs1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081894 345035777 /nfs/dbraw/zinc/03/57/77/345035777.db2.gz QIPBCQADTVKWCS-ZJUUUORDSA-N 2 2 225.361 1.745 10 0 BDAELP C[C@@H]1C[N@H+](Cc2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000634998222 345198147 /nfs/dbraw/zinc/19/81/47/345198147.db2.gz CIKBCJCBMIWCPY-BDAKNGLRSA-N 2 2 242.754 1.100 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000634998222 345198149 /nfs/dbraw/zinc/19/81/49/345198149.db2.gz CIKBCJCBMIWCPY-BDAKNGLRSA-N 2 2 242.754 1.100 10 0 BDAELP COc1cc(C)[nH+]c(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000634999012 345198963 /nfs/dbraw/zinc/19/89/63/345198963.db2.gz OOKBIERIPDMKPH-ZYHUDNBSSA-N 2 2 249.358 1.425 10 0 BDAELP CC(C)c1nc(N[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000212411806 345733590 /nfs/dbraw/zinc/73/35/90/345733590.db2.gz SIIFHAFRJZJWLB-SNVBAGLBSA-N 2 2 220.320 1.764 10 0 BDAELP C[C@H]1CCc2[nH+]c([C@H]3CCC[NH2+]C3)cn2C1 ZINC000258230879 345780565 /nfs/dbraw/zinc/78/05/65/345780565.db2.gz GXITXCLQXGHBAP-QWRGUYRKSA-N 2 2 219.332 1.932 10 0 BDAELP C[C@@H]1CCn2cc([C@H]3CCC[NH2+]C3)[nH+]c2C1 ZINC000258172744 345781005 /nfs/dbraw/zinc/78/10/05/345781005.db2.gz DZQRCSTZIUNKGO-MNOVXSKESA-N 2 2 219.332 1.932 10 0 BDAELP C[C@@H]1CCc2[nH+]c([C@H]3CCC[NH2+]C3)cn2C1 ZINC000258230875 345781037 /nfs/dbraw/zinc/78/10/37/345781037.db2.gz GXITXCLQXGHBAP-MNOVXSKESA-N 2 2 219.332 1.932 10 0 BDAELP C[C@@H](c1cccc2ncccc21)[C@H]([NH3+])C[NH3+] ZINC000141796985 345861743 /nfs/dbraw/zinc/86/17/43/345861743.db2.gz WGOAVGXHEPZJMZ-JOYOIKCWSA-N 2 2 215.300 1.624 10 0 BDAELP Cc1cccc(NC(=O)C[NH2+]CCC[NH+](C)C)c1 ZINC000020054172 179128363 /nfs/dbraw/zinc/12/83/63/179128363.db2.gz CBLJKVTWNOGGDF-UHFFFAOYSA-N 2 2 249.358 1.475 10 0 BDAELP Cc1ccccc1CC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000057939514 179263340 /nfs/dbraw/zinc/26/33/40/179263340.db2.gz LMYIIQZDVACHSC-AWEZNQCLSA-N 2 2 218.344 1.961 10 0 BDAELP Cc1ccccc1CC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000057939514 179263341 /nfs/dbraw/zinc/26/33/41/179263341.db2.gz LMYIIQZDVACHSC-AWEZNQCLSA-N 2 2 218.344 1.961 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+](CCO)C(C)C ZINC000043037088 179341617 /nfs/dbraw/zinc/34/16/17/179341617.db2.gz LBJCDRXTBXBQHV-AWEZNQCLSA-N 2 2 236.359 1.698 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@H+](CCO)C(C)C ZINC000043037088 179341619 /nfs/dbraw/zinc/34/16/19/179341619.db2.gz LBJCDRXTBXBQHV-AWEZNQCLSA-N 2 2 236.359 1.698 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cccs2)C[C@H]1[NH3+] ZINC000251675817 362896904 /nfs/dbraw/zinc/89/69/04/362896904.db2.gz LZZFYDANFIDSRD-GXSJLCMTSA-N 2 2 210.346 1.917 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cccs2)C[C@H]1[NH3+] ZINC000251675817 362896909 /nfs/dbraw/zinc/89/69/09/362896909.db2.gz LZZFYDANFIDSRD-GXSJLCMTSA-N 2 2 210.346 1.917 10 0 BDAELP Cc1nc(N2CCn3cc[nH+]c3C2)sc1C[NH3+] ZINC000062328066 180004205 /nfs/dbraw/zinc/00/42/05/180004205.db2.gz BMUVBAQYVHFYSS-UHFFFAOYSA-N 2 2 249.343 1.127 10 0 BDAELP Cc1nc2cc(CCC[N@H+](C)CC[NH3+])ccc2o1 ZINC000077418248 180077823 /nfs/dbraw/zinc/07/78/23/180077823.db2.gz LACSXTWNUVQSEF-UHFFFAOYSA-N 2 2 247.342 1.959 10 0 BDAELP Cc1nc2cc(CCC[N@@H+](C)CC[NH3+])ccc2o1 ZINC000077418248 180077826 /nfs/dbraw/zinc/07/78/26/180077826.db2.gz LACSXTWNUVQSEF-UHFFFAOYSA-N 2 2 247.342 1.959 10 0 BDAELP Cc1nc(N[C@H](C)C[NH+]2CCCC2)cc[nH+]1 ZINC000054936198 180204977 /nfs/dbraw/zinc/20/49/77/180204977.db2.gz IPORVRXZHCKWNZ-SNVBAGLBSA-N 2 2 220.320 1.681 10 0 BDAELP Cc1[nH+]cn(-c2ccnc(C[NH3+])c2)c1C ZINC000051928483 180285209 /nfs/dbraw/zinc/28/52/09/180285209.db2.gz YUMGSOHNPPHPIM-UHFFFAOYSA-N 2 2 202.261 1.343 10 0 BDAELP CCOC[C@@H]1C[N@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409425903 350476525 /nfs/dbraw/zinc/47/65/25/350476525.db2.gz BEHBLPCGCMVSIZ-DTWKUNHWSA-N 2 2 240.269 1.092 10 0 BDAELP CCOC[C@@H]1C[N@@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409425903 350476529 /nfs/dbraw/zinc/47/65/29/350476529.db2.gz BEHBLPCGCMVSIZ-DTWKUNHWSA-N 2 2 240.269 1.092 10 0 BDAELP CC(C)(C)[C@@H]1CCOCC[N@@H+]1CC[NH3+] ZINC000616596971 350635099 /nfs/dbraw/zinc/63/50/99/350635099.db2.gz BMZGEQXZDKWHNM-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@@H]1CCOCC[N@H+]1CC[NH3+] ZINC000616596971 350635102 /nfs/dbraw/zinc/63/51/02/350635102.db2.gz BMZGEQXZDKWHNM-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP CC[NH+]1CCC(Nc2ccc(N)c[nH+]2)CC1 ZINC000233474303 350677125 /nfs/dbraw/zinc/67/71/25/350677125.db2.gz CFNMKMQQYSVNHW-UHFFFAOYSA-N 2 2 220.320 1.560 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccc2CCO)C1 ZINC000616609431 350802816 /nfs/dbraw/zinc/80/28/16/350802816.db2.gz XAJJNGPDMMZTSF-CQSZACIVSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccc2CCO)C1 ZINC000616609431 350802819 /nfs/dbraw/zinc/80/28/19/350802819.db2.gz XAJJNGPDMMZTSF-CQSZACIVSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc(CCO)cc1 ZINC000616608243 350803465 /nfs/dbraw/zinc/80/34/65/350803465.db2.gz QKFYLNCCEJUOET-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc(CCO)cc1 ZINC000616608243 350803468 /nfs/dbraw/zinc/80/34/68/350803468.db2.gz QKFYLNCCEJUOET-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP CNc1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616614596 350836162 /nfs/dbraw/zinc/83/61/62/350836162.db2.gz QZWNXGGRJDNNAY-GFCCVEGCSA-N 2 2 219.332 1.476 10 0 BDAELP CNc1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616614596 350836166 /nfs/dbraw/zinc/83/61/66/350836166.db2.gz QZWNXGGRJDNNAY-GFCCVEGCSA-N 2 2 219.332 1.476 10 0 BDAELP CNc1cccc([C@@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616614615 350836275 /nfs/dbraw/zinc/83/62/75/350836275.db2.gz SBMHCLYLMMTJAH-GFCCVEGCSA-N 2 2 219.332 1.476 10 0 BDAELP CNc1cccc([C@@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616614615 350836276 /nfs/dbraw/zinc/83/62/76/350836276.db2.gz SBMHCLYLMMTJAH-GFCCVEGCSA-N 2 2 219.332 1.476 10 0 BDAELP C[C@@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1[NH3+] ZINC000251569628 350898707 /nfs/dbraw/zinc/89/87/07/350898707.db2.gz DGVHSYBDKAQLFC-HTQZYQBOSA-N 2 2 210.243 1.608 10 0 BDAELP C[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1[NH3+] ZINC000251569628 350898710 /nfs/dbraw/zinc/89/87/10/350898710.db2.gz DGVHSYBDKAQLFC-HTQZYQBOSA-N 2 2 210.243 1.608 10 0 BDAELP CNc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616620201 350934445 /nfs/dbraw/zinc/93/44/45/350934445.db2.gz ITMUXTPDADHPHP-GFCCVEGCSA-N 2 2 233.359 1.866 10 0 BDAELP CNc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616620201 350934448 /nfs/dbraw/zinc/93/44/48/350934448.db2.gz ITMUXTPDADHPHP-GFCCVEGCSA-N 2 2 233.359 1.866 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc(CO)cc2)C1 ZINC000616620893 350945245 /nfs/dbraw/zinc/94/52/45/350945245.db2.gz NIEBNJXKBXGDJD-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc(CO)cc2)C1 ZINC000616620893 350945246 /nfs/dbraw/zinc/94/52/46/350945246.db2.gz NIEBNJXKBXGDJD-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@H](C[NH3+])C1CC1 ZINC000251944418 362993044 /nfs/dbraw/zinc/99/30/44/362993044.db2.gz ZWMUOWDNLSFFBD-WCBMZHEXSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@H](C[NH3+])C1CC1 ZINC000251944418 362993047 /nfs/dbraw/zinc/99/30/47/362993047.db2.gz ZWMUOWDNLSFFBD-WCBMZHEXSA-N 2 2 200.351 1.161 10 0 BDAELP OCC[N@@H+]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000616627188 351107786 /nfs/dbraw/zinc/10/77/86/351107786.db2.gz FVANIKQBGFBRNL-LBPRGKRZSA-N 2 2 235.331 1.340 10 0 BDAELP OCC[N@H+]1CCC[C@H](Nc2cccc[nH+]2)CC1 ZINC000616627188 351107788 /nfs/dbraw/zinc/10/77/88/351107788.db2.gz FVANIKQBGFBRNL-LBPRGKRZSA-N 2 2 235.331 1.340 10 0 BDAELP CC(=O)Nc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000616632165 351111127 /nfs/dbraw/zinc/11/11/27/351111127.db2.gz ISSRYTZDRBUAFC-AWEZNQCLSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000616632165 351111129 /nfs/dbraw/zinc/11/11/29/351111129.db2.gz ISSRYTZDRBUAFC-AWEZNQCLSA-N 2 2 247.342 1.741 10 0 BDAELP C[C@@H]1CC[N@H+](C2CSC2)[C@H](C[NH3+])C1 ZINC000306971676 351393735 /nfs/dbraw/zinc/39/37/35/351393735.db2.gz SUTXYLLYAGZQDR-BDAKNGLRSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CC[N@@H+](C2CSC2)[C@H](C[NH3+])C1 ZINC000306971676 351393737 /nfs/dbraw/zinc/39/37/37/351393737.db2.gz SUTXYLLYAGZQDR-BDAKNGLRSA-N 2 2 200.351 1.161 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000232014342 351528383 /nfs/dbraw/zinc/52/83/83/351528383.db2.gz QYEZPTNIQOPFCZ-ZKXNXJMVSA-N 2 2 202.729 1.813 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000232014342 351528384 /nfs/dbraw/zinc/52/83/84/351528384.db2.gz QYEZPTNIQOPFCZ-ZKXNXJMVSA-N 2 2 202.729 1.813 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CSC2(C)C)C1 ZINC000306976793 353047985 /nfs/dbraw/zinc/04/79/85/353047985.db2.gz FZHSMWFIPPRKEC-BDAKNGLRSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CSC2(C)C)C1 ZINC000306976793 353047989 /nfs/dbraw/zinc/04/79/89/353047989.db2.gz FZHSMWFIPPRKEC-BDAKNGLRSA-N 2 2 200.351 1.174 10 0 BDAELP CC[C@@H]1CC[NH2+][C@H]([C@](C)(F)[C@H](C)[NH3+])C1 ZINC000307738221 353122454 /nfs/dbraw/zinc/12/24/54/353122454.db2.gz WHOXIXUPOIFJBN-ZRUFSTJUSA-N 2 2 202.317 1.840 10 0 BDAELP CC(C)[C@H](C)N(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000036787030 188112131 /nfs/dbraw/zinc/11/21/31/188112131.db2.gz RDRFRZZFXZIHTI-GXTWGEPZSA-N 2 2 239.407 1.386 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+](Cc2cc(C)no2)C[C@H]1C ZINC000044994961 188123765 /nfs/dbraw/zinc/12/37/65/188123765.db2.gz WTNLCAHVMHTJSW-BXKDBHETSA-N 2 2 223.320 1.413 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+](Cc2cc(C)no2)C[C@H]1C ZINC000044994961 188123767 /nfs/dbraw/zinc/12/37/67/188123767.db2.gz WTNLCAHVMHTJSW-BXKDBHETSA-N 2 2 223.320 1.413 10 0 BDAELP CC[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000413572801 191394575 /nfs/dbraw/zinc/39/45/75/191394575.db2.gz RLZYULJWPLQOAV-VIFPVBQESA-N 2 2 231.303 1.464 10 0 BDAELP CC[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000413572800 191395425 /nfs/dbraw/zinc/39/54/25/191395425.db2.gz RLZYULJWPLQOAV-SECBINFHSA-N 2 2 231.303 1.464 10 0 BDAELP C[NH2+]CCN(C)Cc1[nH+]ccn1C(C)C ZINC000420334145 192213883 /nfs/dbraw/zinc/21/38/83/192213883.db2.gz GCADCINIGAZGKQ-UHFFFAOYSA-N 2 2 210.325 1.115 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[NH2+][C@H](C)[C@H]1C ZINC000336192997 134124413 /nfs/dbraw/zinc/12/44/13/134124413.db2.gz HPJGSGXIZRRSQN-VXGBXAGGSA-N 2 2 236.363 1.646 10 0 BDAELP CC(C)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000675070099 538499909 /nfs/dbraw/zinc/49/99/09/538499909.db2.gz LNGACBFSEFZDHC-AWEZNQCLSA-N 2 2 240.391 1.875 10 0 BDAELP CC(C)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000675070099 538499912 /nfs/dbraw/zinc/49/99/12/538499912.db2.gz LNGACBFSEFZDHC-AWEZNQCLSA-N 2 2 240.391 1.875 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ccc(Cl)s2)C[NH2+]C1 ZINC000675077583 538513295 /nfs/dbraw/zinc/51/32/95/538513295.db2.gz GHJJAAKOZKSDES-QMMMGPOBSA-N 2 2 228.748 1.801 10 0 BDAELP Cc1nc(CC2=C[C@H]([NH3+])C[NH2+]C2)sc1C ZINC000675077413 538513352 /nfs/dbraw/zinc/51/33/52/538513352.db2.gz DVVMZTJLSQZNBC-JTQLQIEISA-N 2 2 223.345 1.159 10 0 BDAELP [NH3+][C@@H]1C=C(c2cc(F)ccc2Cl)C[NH2+]C1 ZINC000675078541 538516720 /nfs/dbraw/zinc/51/67/20/538516720.db2.gz QLHDARZSLIMSPK-SECBINFHSA-N 2 2 226.682 1.793 10 0 BDAELP [NH3+][C@@H]1C=C(c2cccc(Cl)c2)C[NH2+]C1 ZINC000675078784 538516813 /nfs/dbraw/zinc/51/68/13/538516813.db2.gz SOCGLLGQJBUXDM-LLVKDONJSA-N 2 2 208.692 1.654 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000389517754 356901566 /nfs/dbraw/zinc/90/15/66/356901566.db2.gz GIKZFHYHQPTRSN-UMSGYPCISA-N 2 2 238.375 1.484 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000389517754 356901567 /nfs/dbraw/zinc/90/15/67/356901567.db2.gz GIKZFHYHQPTRSN-UMSGYPCISA-N 2 2 238.375 1.484 10 0 BDAELP COc1ccc[nH+]c1NCC[C@H]1CC[NH2+]C1 ZINC000160283991 357272896 /nfs/dbraw/zinc/27/28/96/357272896.db2.gz PDBHCXRSLUVNHZ-SNVBAGLBSA-N 2 2 221.304 1.502 10 0 BDAELP CC1(C)CC[NH+]([C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948244 538890142 /nfs/dbraw/zinc/89/01/42/538890142.db2.gz CPXXKMIHTSUWHM-WDEREUQCSA-N 2 2 214.328 1.808 10 0 BDAELP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csnn1 ZINC000398245644 357869682 /nfs/dbraw/zinc/86/96/82/357869682.db2.gz RXWFVXMXYWCQHG-RKDXNWHRSA-N 2 2 226.349 1.188 10 0 BDAELP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227719 358335897 /nfs/dbraw/zinc/33/58/97/358335897.db2.gz PTDODWRRQPCQQD-QJPTWQEYSA-N 2 2 223.320 1.165 10 0 BDAELP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000226227811 358335340 /nfs/dbraw/zinc/33/53/40/358335340.db2.gz MLBSJZRQNXPEAE-BFHYXJOUSA-N 2 2 240.391 1.754 10 0 BDAELP CN(CCC[NH3+])c1[nH]c2ccccc2[nH+]1 ZINC000227749932 358362726 /nfs/dbraw/zinc/36/27/26/358362726.db2.gz YIUSGEJXWRQKET-UHFFFAOYSA-N 2 2 204.277 1.348 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247886218 359246828 /nfs/dbraw/zinc/24/68/28/359246828.db2.gz DBFVJXTXONINMO-UONOGXRCSA-N 2 2 240.391 1.611 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247886218 359246832 /nfs/dbraw/zinc/24/68/32/359246832.db2.gz DBFVJXTXONINMO-UONOGXRCSA-N 2 2 240.391 1.611 10 0 BDAELP Cc1[nH]c(C[NH2+][C@@H]2CSC[C@@H]2C)c[nH+]1 ZINC000306533298 360394456 /nfs/dbraw/zinc/39/44/56/360394456.db2.gz CSMQPZXJTFWYBH-OIBJUYFYSA-N 2 2 211.334 1.559 10 0 BDAELP CC1(C)CS[C@@](C)([C@H]2CCC[NH2+]2)[NH2+]1 ZINC000306573339 360463019 /nfs/dbraw/zinc/46/30/19/360463019.db2.gz HLBQQDCZNJRHRJ-SCZZXKLOSA-N 2 2 200.351 1.570 10 0 BDAELP CC1(C)CS[C@](C)([C@H]2CCC[NH2+]2)[NH2+]1 ZINC000306573338 360463260 /nfs/dbraw/zinc/46/32/60/360463260.db2.gz HLBQQDCZNJRHRJ-PSASIEDQSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]1CCC[N@@H+](C2(C[NH3+])CSC2)C1 ZINC000306592458 360511045 /nfs/dbraw/zinc/51/10/45/360511045.db2.gz WJCOCMVYASZWHR-VIFPVBQESA-N 2 2 200.351 1.163 10 0 BDAELP C[C@H]1CCC[N@H+](C2(C[NH3+])CSC2)C1 ZINC000306592458 360511050 /nfs/dbraw/zinc/51/10/50/360511050.db2.gz WJCOCMVYASZWHR-VIFPVBQESA-N 2 2 200.351 1.163 10 0 BDAELP NC(=S)c1cc(NCCn2cc[nH+]c2)cc[nH+]1 ZINC000061812864 181320420 /nfs/dbraw/zinc/32/04/20/181320420.db2.gz UTLXMOBJDUTGOV-UHFFFAOYSA-N 2 2 247.327 1.024 10 0 BDAELP C[C@@H]([C@@H]1C[NH2+]CCO1)[N@H+](C)C(C)(C)C ZINC000306638407 361586541 /nfs/dbraw/zinc/58/65/41/361586541.db2.gz BZXCDJWTMPTCOO-UWVGGRQHSA-N 2 2 200.326 1.094 10 0 BDAELP C[C@@H]([C@@H]1C[NH2+]CCO1)[N@@H+](C)C(C)(C)C ZINC000306638407 361586547 /nfs/dbraw/zinc/58/65/47/361586547.db2.gz BZXCDJWTMPTCOO-UWVGGRQHSA-N 2 2 200.326 1.094 10 0 BDAELP [NH3+]C1C[C@H]2CC[C@@H](C1)N2c1cccc[nH+]1 ZINC000041043426 181345045 /nfs/dbraw/zinc/34/50/45/181345045.db2.gz ARHGCRFSOAPXKN-FGWVZKOKSA-N 2 2 203.289 1.540 10 0 BDAELP Cc1ccc(OC2CC[NH2+]CC2)c(C)[nH+]1 ZINC000204306370 363951291 /nfs/dbraw/zinc/95/12/91/363951291.db2.gz RCNKFNBPBDZKFB-UHFFFAOYSA-N 2 2 206.289 1.829 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cccnc2C)[C@](C)(C[NH3+])C1 ZINC000630368889 364086636 /nfs/dbraw/zinc/08/66/36/364086636.db2.gz UAPVRRMIWIYOFU-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cccnc2C)[C@](C)(C[NH3+])C1 ZINC000630368889 364086641 /nfs/dbraw/zinc/08/66/41/364086641.db2.gz UAPVRRMIWIYOFU-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP [NH3+]CC1([NH+]2CCSCC2)CCSCC1 ZINC000042334976 181360878 /nfs/dbraw/zinc/36/08/78/181360878.db2.gz JKZCGZVHOHTPIC-UHFFFAOYSA-N 2 2 232.418 1.260 10 0 BDAELP Cc1cc(N2CCCCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000630551139 364245350 /nfs/dbraw/zinc/24/53/50/364245350.db2.gz ZYUXXRTUXKOYCF-LLVKDONJSA-N 2 2 220.320 1.493 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])CN1c1[nH]c2ccccc2[nH+]1 ZINC000630558279 364257575 /nfs/dbraw/zinc/25/75/75/364257575.db2.gz SULGJANQALTODA-BDAKNGLRSA-N 2 2 216.288 1.489 10 0 BDAELP CCn1cc[nH+]c1Cn1c[nH+]c(C)c1C ZINC000134591142 364406683 /nfs/dbraw/zinc/40/66/83/364406683.db2.gz AAKPWVDFVCUSEN-UHFFFAOYSA-N 2 2 204.277 1.765 10 0 BDAELP [NH3+]CCCCCc1[nH+]c2ccccc2n1CCO ZINC000019734684 181376482 /nfs/dbraw/zinc/37/64/82/181376482.db2.gz BGGZKWDMTVPRQI-UHFFFAOYSA-N 2 2 247.342 1.700 10 0 BDAELP [NH3+]CC[NH2+]Cc1csc(Br)c1 ZINC000037712835 181396974 /nfs/dbraw/zinc/39/69/74/181396974.db2.gz OKYASAMOIBCXPM-UHFFFAOYSA-N 2 2 235.150 1.559 10 0 BDAELP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000380758789 367299477 /nfs/dbraw/zinc/29/94/77/367299477.db2.gz VRFWMHBJEQRHDB-STQMWFEESA-N 3 2 227.396 1.447 10 0 BDAELP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000380758789 367299481 /nfs/dbraw/zinc/29/94/81/367299481.db2.gz VRFWMHBJEQRHDB-STQMWFEESA-N 3 2 227.396 1.447 10 0 BDAELP CC(C)n1ncnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000386273924 367943538 /nfs/dbraw/zinc/94/35/38/367943538.db2.gz XVYGIYSMFXSZSS-QJPTWQEYSA-N 2 2 249.362 1.028 10 0 BDAELP CC(C)n1ncnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000386273924 367943542 /nfs/dbraw/zinc/94/35/42/367943542.db2.gz XVYGIYSMFXSZSS-QJPTWQEYSA-N 2 2 249.362 1.028 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000090847420 369000526 /nfs/dbraw/zinc/00/05/26/369000526.db2.gz LNTGWZRZUDXMLJ-DGCLKSJQSA-N 2 2 220.316 1.700 10 0 BDAELP C[N@@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC000090504902 368987515 /nfs/dbraw/zinc/98/75/15/368987515.db2.gz CJRQCPDDVLWDEJ-UHFFFAOYSA-N 2 2 202.301 1.711 10 0 BDAELP C[N@H+]1Cc2ccccc2C12CC[NH2+]CC2 ZINC000090504902 368987519 /nfs/dbraw/zinc/98/75/19/368987519.db2.gz CJRQCPDDVLWDEJ-UHFFFAOYSA-N 2 2 202.301 1.711 10 0 BDAELP OCC[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000108057255 369373012 /nfs/dbraw/zinc/37/30/12/369373012.db2.gz BPQBFYJPBDGSLS-AWEZNQCLSA-N 2 2 234.343 1.233 10 0 BDAELP OCC[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000108057255 369373014 /nfs/dbraw/zinc/37/30/14/369373014.db2.gz BPQBFYJPBDGSLS-AWEZNQCLSA-N 2 2 234.343 1.233 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cncs1 ZINC000161676948 370958480 /nfs/dbraw/zinc/95/84/80/370958480.db2.gz XFVRBMMWRQSIIZ-WPRPVWTQSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cncs1 ZINC000161676948 370958485 /nfs/dbraw/zinc/95/84/85/370958485.db2.gz XFVRBMMWRQSIIZ-WPRPVWTQSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+][C@@H](C)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226682535 371723069 /nfs/dbraw/zinc/72/30/69/371723069.db2.gz WKPVACLGJXLSQV-LPEHRKFASA-N 2 2 202.367 1.420 10 0 BDAELP C[NH2+][C@@H](C)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000226682535 371723072 /nfs/dbraw/zinc/72/30/72/371723072.db2.gz WKPVACLGJXLSQV-LPEHRKFASA-N 2 2 202.367 1.420 10 0 BDAELP C[N@H+](C[C@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000227649083 371914350 /nfs/dbraw/zinc/91/43/50/371914350.db2.gz RZNJEOFSKUHTMI-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[N@@H+](C[C@H]1CCC[NH2+]1)[C@H]1CCSC1 ZINC000227649083 371914357 /nfs/dbraw/zinc/91/43/57/371914357.db2.gz RZNJEOFSKUHTMI-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000306549282 372033691 /nfs/dbraw/zinc/03/36/91/372033691.db2.gz DHVNHEYXIXLLNA-GARJFASQSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000306549282 372033697 /nfs/dbraw/zinc/03/36/97/372033697.db2.gz DHVNHEYXIXLLNA-GARJFASQSA-N 2 2 200.326 1.079 10 0 BDAELP C[C@@H]1C[NH2+][C@@](C)([C@H]2CCCC[NH2+]2)S1 ZINC000306801554 372068701 /nfs/dbraw/zinc/06/87/01/372068701.db2.gz RFIFAQOAFVZLRO-OPRDCNLKSA-N 2 2 200.351 1.570 10 0 BDAELP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCOC1 ZINC000069622441 373545271 /nfs/dbraw/zinc/54/52/71/373545271.db2.gz ZLUVDVFTHWFZOT-ZDUSSCGKSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCOC1 ZINC000069622441 373545277 /nfs/dbraw/zinc/54/52/77/373545277.db2.gz ZLUVDVFTHWFZOT-ZDUSSCGKSA-N 2 2 220.316 1.236 10 0 BDAELP CCC[N@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1O ZINC000104342183 169180736 /nfs/dbraw/zinc/18/07/36/169180736.db2.gz RFAGMWRYERUWPY-MCIONIFRSA-N 2 2 240.391 1.754 10 0 BDAELP CCC[N@@H+]([C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1O ZINC000104342183 169180739 /nfs/dbraw/zinc/18/07/39/169180739.db2.gz RFAGMWRYERUWPY-MCIONIFRSA-N 2 2 240.391 1.754 10 0 BDAELP c1c([C@@H]2CCC[NH2+]C2)[nH+]c2n1CCCC2 ZINC000082931198 183321548 /nfs/dbraw/zinc/32/15/48/183321548.db2.gz MRSYNYIZNUVNLY-SNVBAGLBSA-N 2 2 205.305 1.686 10 0 BDAELP CCCNC(=O)C[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042519258 169219401 /nfs/dbraw/zinc/21/94/01/169219401.db2.gz YJCSQEHBIHIUNN-RYUDHWBXSA-N 2 2 241.379 1.104 10 0 BDAELP CCCNC(=O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042519258 169219402 /nfs/dbraw/zinc/21/94/02/169219402.db2.gz YJCSQEHBIHIUNN-RYUDHWBXSA-N 2 2 241.379 1.104 10 0 BDAELP CCCNC(=O)C[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042519257 169219811 /nfs/dbraw/zinc/21/98/11/169219811.db2.gz YJCSQEHBIHIUNN-NWDGAFQWSA-N 2 2 241.379 1.104 10 0 BDAELP CCCNC(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042519257 169219812 /nfs/dbraw/zinc/21/98/12/169219812.db2.gz YJCSQEHBIHIUNN-NWDGAFQWSA-N 2 2 241.379 1.104 10 0 BDAELP c1ccc(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC000096964513 183398666 /nfs/dbraw/zinc/39/86/66/183398666.db2.gz VHRYZWKTFXHRDQ-OAHLLOKOSA-N 2 2 246.354 1.641 10 0 BDAELP c1ccc(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)cc1 ZINC000096964513 183398669 /nfs/dbraw/zinc/39/86/69/183398669.db2.gz VHRYZWKTFXHRDQ-OAHLLOKOSA-N 2 2 246.354 1.641 10 0 BDAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425191 169283401 /nfs/dbraw/zinc/28/34/01/169283401.db2.gz YRXPLDNTSCBESJ-FQUUOJAGSA-N 2 2 240.391 1.731 10 0 BDAELP CCC[NH2+][C@@H]1CCOC[C@@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425191 169283402 /nfs/dbraw/zinc/28/34/02/169283402.db2.gz YRXPLDNTSCBESJ-FQUUOJAGSA-N 2 2 240.391 1.731 10 0 BDAELP CCC[NH2+][C@H]1CC[N@H+](CCC[NH+](C)C)C[C@@H]1C ZINC000049710815 169292009 /nfs/dbraw/zinc/29/20/09/169292009.db2.gz GZOVRLNKKPRKDQ-KBPBESRZSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+][C@H]1CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C ZINC000049710815 169292010 /nfs/dbraw/zinc/29/20/10/169292010.db2.gz GZOVRLNKKPRKDQ-KBPBESRZSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[C@@H](C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022163689 169383599 /nfs/dbraw/zinc/38/35/99/169383599.db2.gz XAJCXZPXZBZNFI-AXFHLTTASA-N 2 2 200.326 1.223 10 0 BDAELP CCC[C@@H](C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022163689 169383600 /nfs/dbraw/zinc/38/36/00/169383600.db2.gz XAJCXZPXZBZNFI-AXFHLTTASA-N 2 2 200.326 1.223 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(Br)s1 ZINC000050269916 383989956 /nfs/dbraw/zinc/98/99/56/383989956.db2.gz AWXBYWAJCSEWEP-YFKPBYRVSA-N 2 2 235.150 1.730 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(Br)o1 ZINC000050269836 383991242 /nfs/dbraw/zinc/99/12/42/383991242.db2.gz ISOZYOFWCPGCHW-YFKPBYRVSA-N 2 2 219.082 1.261 10 0 BDAELP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733558 384133691 /nfs/dbraw/zinc/13/36/91/384133691.db2.gz INTVECXUDRCWHR-UWVGGRQHSA-N 2 2 225.361 1.793 10 0 BDAELP C[N@@H+](Cc1ccnc(Cl)n1)C[C@@H]1CC[NH2+]C1 ZINC000095071294 384342071 /nfs/dbraw/zinc/34/20/71/384342071.db2.gz NCDVWYXBSWPEND-SECBINFHSA-N 2 2 240.738 1.171 10 0 BDAELP C[N@H+](Cc1ccnc(Cl)n1)C[C@@H]1CC[NH2+]C1 ZINC000095071294 384342076 /nfs/dbraw/zinc/34/20/76/384342076.db2.gz NCDVWYXBSWPEND-SECBINFHSA-N 2 2 240.738 1.171 10 0 BDAELP CN(C)c1ccc(N[C@@H]2CCC[NH2+]CC2)c[nH+]1 ZINC000097053981 384492876 /nfs/dbraw/zinc/49/28/76/384492876.db2.gz WEEPSNPAXFSEPX-LLVKDONJSA-N 2 2 234.347 1.702 10 0 BDAELP [NH3+][C@@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000100278754 384631137 /nfs/dbraw/zinc/63/11/37/384631137.db2.gz MGUFXDGIOHHUKA-LSDHHAIUSA-N 2 2 248.370 1.751 10 0 BDAELP [NH3+][C@@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000100278754 384631144 /nfs/dbraw/zinc/63/11/44/384631144.db2.gz MGUFXDGIOHHUKA-LSDHHAIUSA-N 2 2 248.370 1.751 10 0 BDAELP Cc1scc(C[NH2+][C@@H]2CC[NH2+]C2)c1C ZINC000306889143 384691875 /nfs/dbraw/zinc/69/18/75/384691875.db2.gz SUJPTHCFWVTLKY-LLVKDONJSA-N 2 2 210.346 1.816 10 0 BDAELP CN(CCC[NH3+])c1cc[nH+]c(C2CC2)n1 ZINC000107201345 384779414 /nfs/dbraw/zinc/77/94/14/384779414.db2.gz WHWFPSWUMORSHK-UHFFFAOYSA-N 2 2 206.293 1.139 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2CC2CC2)c[nH+]1 ZINC000163166169 384757202 /nfs/dbraw/zinc/75/72/02/384757202.db2.gz QLXMMUGQUFELOZ-GFCCVEGCSA-N 2 2 205.305 1.758 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2CC2CC2)c[nH+]1 ZINC000163166169 384757209 /nfs/dbraw/zinc/75/72/09/384757209.db2.gz QLXMMUGQUFELOZ-GFCCVEGCSA-N 2 2 205.305 1.758 10 0 BDAELP C[C@@H](C[NH3+])N(C)c1cc[nH+]c(C2CC2)n1 ZINC000107201358 384780134 /nfs/dbraw/zinc/78/01/34/384780134.db2.gz HMHKJANDVCUBAW-QMMMGPOBSA-N 2 2 206.293 1.137 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(F)ccc1Br ZINC000072201274 384815815 /nfs/dbraw/zinc/81/58/15/384815815.db2.gz YBCPNUZRBRSRBI-QMMMGPOBSA-N 2 2 233.084 1.547 10 0 BDAELP Cc1ccc(NC(=O)[C@H](C)C2C[NH2+]C2)c(C)[nH+]1 ZINC000164665204 385223729 /nfs/dbraw/zinc/22/37/29/385223729.db2.gz FPIJMLLBKYTNJK-SECBINFHSA-N 2 2 233.315 1.492 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cccc(F)c1Br ZINC000072201277 385333488 /nfs/dbraw/zinc/33/34/88/385333488.db2.gz OFRLYVPJMIWMDJ-SSDOTTSWSA-N 2 2 233.084 1.547 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000309031362 385378801 /nfs/dbraw/zinc/37/88/01/385378801.db2.gz DYUYJXVYCZBFSX-UTUOFQBUSA-N 2 2 214.353 1.341 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000309031362 385378807 /nfs/dbraw/zinc/37/88/07/385378807.db2.gz DYUYJXVYCZBFSX-UTUOFQBUSA-N 2 2 214.353 1.341 10 0 BDAELP [NH3+]CC[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000038763392 386568432 /nfs/dbraw/zinc/56/84/32/386568432.db2.gz AJZPMIZIBQXAOS-ZDUSSCGKSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]CC[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC000038763392 386568438 /nfs/dbraw/zinc/56/84/38/386568438.db2.gz AJZPMIZIBQXAOS-ZDUSSCGKSA-N 2 2 220.316 1.236 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000395429356 386834212 /nfs/dbraw/zinc/83/42/12/386834212.db2.gz KLZMMNTXWMRJIH-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000395429356 386834213 /nfs/dbraw/zinc/83/42/13/386834213.db2.gz KLZMMNTXWMRJIH-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000396608669 386946655 /nfs/dbraw/zinc/94/66/55/386946655.db2.gz DALTUSMVXKMNLR-CYZMBNFOSA-N 2 2 248.374 1.528 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000228298717 387088906 /nfs/dbraw/zinc/08/89/06/387088906.db2.gz SVQIYOXFMGFNIH-GHMZBOCLSA-N 2 2 222.336 1.228 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000228298717 387088910 /nfs/dbraw/zinc/08/89/10/387088910.db2.gz SVQIYOXFMGFNIH-GHMZBOCLSA-N 2 2 222.336 1.228 10 0 BDAELP CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863422 387523520 /nfs/dbraw/zinc/52/35/20/387523520.db2.gz WGSCPEQVUFKSFG-UHFFFAOYSA-N 2 2 236.363 1.299 10 0 BDAELP CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863422 387523527 /nfs/dbraw/zinc/52/35/27/387523527.db2.gz WGSCPEQVUFKSFG-UHFFFAOYSA-N 2 2 236.363 1.299 10 0 BDAELP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000422742044 387649029 /nfs/dbraw/zinc/64/90/29/387649029.db2.gz QYUKBKLFXLNFMH-CHWSQXEVSA-N 2 2 220.316 1.326 10 0 BDAELP c1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]c1 ZINC000041043410 387796166 /nfs/dbraw/zinc/79/61/66/387796166.db2.gz HSPLQLPMAIRAKY-ZACCUICWSA-N 2 2 203.289 1.777 10 0 BDAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324628839 388122376 /nfs/dbraw/zinc/12/23/76/388122376.db2.gz SFCWPFONDBHEBA-GHMZBOCLSA-N 2 2 214.353 1.077 10 0 BDAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324628839 388122378 /nfs/dbraw/zinc/12/23/78/388122378.db2.gz SFCWPFONDBHEBA-GHMZBOCLSA-N 2 2 214.353 1.077 10 0 BDAELP Cc1cc(NCCC[NH2+]C(C)C)nc[nH+]1 ZINC000565471510 388946859 /nfs/dbraw/zinc/94/68/59/388946859.db2.gz ZHBWDKLOYIZBGH-UHFFFAOYSA-N 2 2 208.309 1.007 10 0 BDAELP CCc1[nH+]c(C)nc(N2CCC([NH3+])CC2)c1C ZINC000045951004 132299328 /nfs/dbraw/zinc/29/93/28/132299328.db2.gz RVPOADYPYPJQIB-UHFFFAOYSA-N 2 2 234.347 1.583 10 0 BDAELP CC(C)[C@@H](C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000019397456 132324540 /nfs/dbraw/zinc/32/45/40/132324540.db2.gz UMQRJOWTJHIZAU-CYBMUJFWSA-N 2 2 248.374 1.187 10 0 BDAELP Cc1cccc(N2CC[NH+](C(C)(C)C[NH3+])CC2)c1 ZINC000019439624 132325127 /nfs/dbraw/zinc/32/51/27/132325127.db2.gz NFKHRYDWTUNJJP-UHFFFAOYSA-N 2 2 247.386 1.854 10 0 BDAELP C[C@H]([NH2+]CC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656024 134330322 /nfs/dbraw/zinc/33/03/22/134330322.db2.gz ZBPUQMTYXWXRQO-JTQLQIEISA-N 2 2 244.298 1.008 10 0 BDAELP CO[C@H](C)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248431667 135009797 /nfs/dbraw/zinc/00/97/97/135009797.db2.gz QCJBXJXAGBBHFX-OLZOCXBDSA-N 2 2 249.358 1.850 10 0 BDAELP CO[C@H](C)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248431667 135009798 /nfs/dbraw/zinc/00/97/98/135009798.db2.gz QCJBXJXAGBBHFX-OLZOCXBDSA-N 2 2 249.358 1.850 10 0 BDAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249242997 135036067 /nfs/dbraw/zinc/03/60/67/135036067.db2.gz DIANSCLMPCDHTI-RFQIPJPRSA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249242997 135036069 /nfs/dbraw/zinc/03/60/69/135036069.db2.gz DIANSCLMPCDHTI-RFQIPJPRSA-N 2 2 240.391 1.730 10 0 BDAELP C[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252592307 135091870 /nfs/dbraw/zinc/09/18/70/135091870.db2.gz NZZATVLAKGMNPK-GRYCIOLGSA-N 2 2 249.314 1.082 10 0 BDAELP C[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252592307 135091872 /nfs/dbraw/zinc/09/18/72/135091872.db2.gz NZZATVLAKGMNPK-GRYCIOLGSA-N 2 2 249.314 1.082 10 0 BDAELP c1ccc(N2CCC3(C2)CC[NH2+]CC3)[nH+]c1 ZINC000257686756 135100385 /nfs/dbraw/zinc/10/03/85/135100385.db2.gz IFFJBWSAPLGIHU-UHFFFAOYSA-N 2 2 217.316 1.662 10 0 BDAELP C[C@H]1CC[N@H+](Cc2ccccn2)[C@H](C[NH3+])C1 ZINC000261535265 135169273 /nfs/dbraw/zinc/16/92/73/135169273.db2.gz XLHBBPIFKHSQIF-AAEUAGOBSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2ccccn2)[C@H](C[NH3+])C1 ZINC000261535265 135169274 /nfs/dbraw/zinc/16/92/74/135169274.db2.gz XLHBBPIFKHSQIF-AAEUAGOBSA-N 2 2 219.332 1.641 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261552680 135192396 /nfs/dbraw/zinc/19/23/96/135192396.db2.gz NELSVRCROAVNAI-YPMHNXCESA-N 2 2 235.306 1.405 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261552680 135192397 /nfs/dbraw/zinc/19/23/97/135192397.db2.gz NELSVRCROAVNAI-YPMHNXCESA-N 2 2 235.306 1.405 10 0 BDAELP Cc1nc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)oc1C ZINC000261546256 135238173 /nfs/dbraw/zinc/23/81/73/135238173.db2.gz GTVJEFQFMSDVNB-LLVKDONJSA-N 2 2 237.347 1.851 10 0 BDAELP Cc1nc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)oc1C ZINC000261546256 135238174 /nfs/dbraw/zinc/23/81/74/135238174.db2.gz GTVJEFQFMSDVNB-LLVKDONJSA-N 2 2 237.347 1.851 10 0 BDAELP Cc1ccn2c(CN3C[C@@H](C)[C@@H]([NH3+])C3)c[nH+]c2c1 ZINC000261950972 135265955 /nfs/dbraw/zinc/26/59/55/135265955.db2.gz FZXPIXNHCALGMC-YPMHNXCESA-N 2 2 244.342 1.422 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCO[C@@H](C)C1 ZINC000051210572 167003891 /nfs/dbraw/zinc/00/38/91/167003891.db2.gz GJJBJJXQBRFLAA-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCO[C@@H](C)C1 ZINC000051210572 167003894 /nfs/dbraw/zinc/00/38/94/167003894.db2.gz GJJBJJXQBRFLAA-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP Cc1cc(N2CCC[C@H](C)[C@H]2C[NH3+])nc[nH+]1 ZINC000227201352 487612836 /nfs/dbraw/zinc/61/28/36/487612836.db2.gz LAMYQRZMKNZQQZ-GXSJLCMTSA-N 2 2 220.320 1.349 10 0 BDAELP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000665236893 410726298 /nfs/dbraw/zinc/72/62/98/410726298.db2.gz WBQYVYXZFLNGLP-BPCQOVAHSA-N 3 2 239.407 1.719 10 0 BDAELP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000665236893 410726306 /nfs/dbraw/zinc/72/63/06/410726306.db2.gz WBQYVYXZFLNGLP-BPCQOVAHSA-N 3 2 239.407 1.719 10 0 BDAELP CC(C)[NH2+]Cc1nc2c(s1)C[N@H+](C)CC2 ZINC000053295290 167121815 /nfs/dbraw/zinc/12/18/15/167121815.db2.gz BYIPKAOSFXLEPS-UHFFFAOYSA-N 2 2 225.361 1.629 10 0 BDAELP CC(C)[NH2+]Cc1nc2c(s1)C[N@@H+](C)CC2 ZINC000053295290 167121817 /nfs/dbraw/zinc/12/18/17/167121817.db2.gz BYIPKAOSFXLEPS-UHFFFAOYSA-N 2 2 225.361 1.629 10 0 BDAELP CC(C)[NH2+][C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270874 167133326 /nfs/dbraw/zinc/13/33/26/167133326.db2.gz FSOZPWYLMGZANX-AWEZNQCLSA-N 2 2 244.342 1.870 10 0 BDAELP Cc1cc(NCC2([NH3+])CCCC2)nc[nH+]1 ZINC000656611027 411310429 /nfs/dbraw/zinc/31/04/29/411310429.db2.gz YPRVAJAGWIHUOS-UHFFFAOYSA-N 2 2 206.293 1.468 10 0 BDAELP C[C@@H]([NH3+])CC[NH2+]Cc1csc(C2CC2)n1 ZINC000414817632 411446864 /nfs/dbraw/zinc/44/68/64/411446864.db2.gz BGUTYJWVYZJOGK-MRVPVSSYSA-N 2 2 225.361 1.847 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336891767 170010960 /nfs/dbraw/zinc/01/09/60/170010960.db2.gz IWPRGPALYUDKDD-NWDGAFQWSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336891767 170010962 /nfs/dbraw/zinc/01/09/62/170010962.db2.gz IWPRGPALYUDKDD-NWDGAFQWSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336891766 170020326 /nfs/dbraw/zinc/02/03/26/170020326.db2.gz IWPRGPALYUDKDD-NEPJUHHUSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336891766 170020328 /nfs/dbraw/zinc/02/03/28/170020328.db2.gz IWPRGPALYUDKDD-NEPJUHHUSA-N 2 2 212.337 1.097 10 0 BDAELP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000328277858 170023081 /nfs/dbraw/zinc/02/30/81/170023081.db2.gz RDAVQLVGTWHWMT-UPJWGTAASA-N 2 2 225.380 1.153 10 0 BDAELP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000328277858 170023082 /nfs/dbraw/zinc/02/30/82/170023082.db2.gz RDAVQLVGTWHWMT-UPJWGTAASA-N 2 2 225.380 1.153 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000309959438 170038222 /nfs/dbraw/zinc/03/82/22/170038222.db2.gz KHIXCOIJICXYGL-WUHRBBMRSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000309959438 170038223 /nfs/dbraw/zinc/03/82/23/170038223.db2.gz KHIXCOIJICXYGL-WUHRBBMRSA-N 2 2 226.364 1.484 10 0 BDAELP CCNC(=[NH2+])N1CCc2[nH+]c[nH]c2[C@@H]1CC ZINC000045806341 170041399 /nfs/dbraw/zinc/04/13/99/170041399.db2.gz ADYLVPJKNVHFQR-VIFPVBQESA-N 2 2 221.308 1.263 10 0 BDAELP CC[NH2+]C1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000050530795 170108226 /nfs/dbraw/zinc/10/82/26/170108226.db2.gz AFVUWTQRYGFOAQ-UHFFFAOYSA-N 2 2 236.363 1.477 10 0 BDAELP CC[NH2+]C1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000037485132 170108621 /nfs/dbraw/zinc/10/86/21/170108621.db2.gz FVDYJASLNRAUQV-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]C1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037485132 170108622 /nfs/dbraw/zinc/10/86/22/170108622.db2.gz FVDYJASLNRAUQV-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]CC1(C[N@@H+]2CCOC[C@@H]2C)CCCC1 ZINC000051216731 170110826 /nfs/dbraw/zinc/11/08/26/170110826.db2.gz HPHBISDRNBFXRG-ZDUSSCGKSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]CC1(C[N@H+]2CCOC[C@@H]2C)CCCC1 ZINC000051216731 170110828 /nfs/dbraw/zinc/11/08/28/170110828.db2.gz HPHBISDRNBFXRG-ZDUSSCGKSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](CC)C2)C1 ZINC000053031364 170119976 /nfs/dbraw/zinc/11/99/76/170119976.db2.gz LBMDMFAZHLXNME-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](CC)C2)C1 ZINC000053031364 170119977 /nfs/dbraw/zinc/11/99/77/170119977.db2.gz LBMDMFAZHLXNME-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+]C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000053031364 170119978 /nfs/dbraw/zinc/11/99/78/170119978.db2.gz LBMDMFAZHLXNME-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+]C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000053031364 170119979 /nfs/dbraw/zinc/11/99/79/170119979.db2.gz LBMDMFAZHLXNME-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000034825227 170128050 /nfs/dbraw/zinc/12/80/50/170128050.db2.gz DRFTXGNYNCZPSL-UHFFFAOYSA-N 2 2 201.273 1.982 10 0 BDAELP CC[NH2+]Cc1sccc1C[NH+]1CCOCC1 ZINC000045205684 170133040 /nfs/dbraw/zinc/13/30/40/170133040.db2.gz IBPDAIZFVMSNJY-UHFFFAOYSA-N 2 2 240.372 1.690 10 0 BDAELP CC[NH2+][C@@H](C)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000062250455 170140463 /nfs/dbraw/zinc/14/04/63/170140463.db2.gz QPJMCYVOZGXOFE-WDEREUQCSA-N 2 2 222.336 1.085 10 0 BDAELP CC[NH2+][C@@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000050270339 170144904 /nfs/dbraw/zinc/14/49/04/170144904.db2.gz KPHVNFGPIKQFGU-NSHDSACASA-N 2 2 236.315 1.457 10 0 BDAELP CC[NH2+][C@@H](CCO)C1C[NH+](Cc2ccccc2)C1 ZINC000095091412 170145646 /nfs/dbraw/zinc/14/56/46/170145646.db2.gz XGIOTCZSTBASQF-HNNXBMFYSA-N 2 2 248.370 1.479 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1N(C)Cc1[nH+]ccn1C ZINC000062251428 170150795 /nfs/dbraw/zinc/15/07/95/170150795.db2.gz CLIRIJAGJNZMTJ-NEPJUHHUSA-N 2 2 236.363 1.383 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000042821659 170168093 /nfs/dbraw/zinc/16/80/93/170168093.db2.gz UYRHPHZYMHFWBP-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000042821659 170168095 /nfs/dbraw/zinc/16/80/95/170168095.db2.gz UYRHPHZYMHFWBP-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CCOC1CC[NH+](CC[NH2+][C@@H](C)C2CC2)CC1 ZINC000053389392 170332056 /nfs/dbraw/zinc/33/20/56/170332056.db2.gz SDCMHBIAPHKXPH-LBPRGKRZSA-N 2 2 240.391 1.875 10 0 BDAELP CC(C)[N@@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616593655 411871848 /nfs/dbraw/zinc/87/18/48/411871848.db2.gz AMRZVGSTAYGPQT-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)CC1 ZINC000616593655 411871851 /nfs/dbraw/zinc/87/18/51/411871851.db2.gz AMRZVGSTAYGPQT-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265930 412058086 /nfs/dbraw/zinc/05/80/86/412058086.db2.gz UNJNDJBHKWQUGW-OLZOCXBDSA-N 2 2 226.364 1.533 10 0 BDAELP CC[C@@H]1CC[N@H+](Cc2ccco2)CC[NH2+]1 ZINC000049661353 171011556 /nfs/dbraw/zinc/01/15/56/171011556.db2.gz JJPMKFGEQDRYKF-LLVKDONJSA-N 2 2 208.305 1.854 10 0 BDAELP CC[C@@H]1CC[N@@H+](Cc2ccco2)CC[NH2+]1 ZINC000049661353 171011558 /nfs/dbraw/zinc/01/15/58/171011558.db2.gz JJPMKFGEQDRYKF-LLVKDONJSA-N 2 2 208.305 1.854 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2occc2C[NH3+])CCO1 ZINC000052477100 171094525 /nfs/dbraw/zinc/09/45/25/171094525.db2.gz WFLIOWXDRBLGOK-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2occc2C[NH3+])CCO1 ZINC000052477100 171094528 /nfs/dbraw/zinc/09/45/28/171094528.db2.gz WFLIOWXDRBLGOK-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1C[C@H]([NH3+])C(C)C ZINC000036326939 171106483 /nfs/dbraw/zinc/10/64/83/171106483.db2.gz UJLIUGOXOBTSBC-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC[C@@H]1COCC[N@H+]1C[C@H]([NH3+])C(C)C ZINC000036326939 171106485 /nfs/dbraw/zinc/10/64/85/171106485.db2.gz UJLIUGOXOBTSBC-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC[C@@](C)(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461535 171166720 /nfs/dbraw/zinc/16/67/20/171166720.db2.gz HBQXXSHXEXVFQG-NSHDSACASA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@@](C)(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461535 171166721 /nfs/dbraw/zinc/16/67/21/171166721.db2.gz HBQXXSHXEXVFQG-NSHDSACASA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1cccnc1 ZINC000076584313 171313393 /nfs/dbraw/zinc/31/33/93/171313393.db2.gz UVQYPZWYAPUEBT-NSHDSACASA-N 2 2 207.321 1.641 10 0 BDAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1cccnc1 ZINC000076584313 171313395 /nfs/dbraw/zinc/31/33/95/171313395.db2.gz UVQYPZWYAPUEBT-NSHDSACASA-N 2 2 207.321 1.641 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCOCC1(C)C ZINC000042463168 171396725 /nfs/dbraw/zinc/39/67/25/171396725.db2.gz DQYWFBZFZVXMTQ-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCOCC1(C)C ZINC000042463168 171396726 /nfs/dbraw/zinc/39/67/26/171396726.db2.gz DQYWFBZFZVXMTQ-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@H+](CCOC)[C@@H](C)COC ZINC000042610831 171396730 /nfs/dbraw/zinc/39/67/30/171396730.db2.gz SNHWWDLVVWATNT-RWMBFGLXSA-N 2 2 246.395 1.343 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+](CCOC)[C@@H](C)COC ZINC000042610831 171396732 /nfs/dbraw/zinc/39/67/32/171396732.db2.gz SNHWWDLVVWATNT-RWMBFGLXSA-N 2 2 246.395 1.343 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]CCCOCC1CC1 ZINC000054240397 173010185 /nfs/dbraw/zinc/01/01/85/173010185.db2.gz OIWXADILVJVRCI-AWEZNQCLSA-N 2 2 240.391 1.877 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]CCCOCC1CC1 ZINC000054240397 173010186 /nfs/dbraw/zinc/01/01/86/173010186.db2.gz OIWXADILVJVRCI-AWEZNQCLSA-N 2 2 240.391 1.877 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C1(CO)CCCC1 ZINC000054243954 173010719 /nfs/dbraw/zinc/01/07/19/173010719.db2.gz GZWYZKCGESGAKX-LBPRGKRZSA-N 2 2 226.364 1.365 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]C1(CO)CCCC1 ZINC000054243954 173010722 /nfs/dbraw/zinc/01/07/22/173010722.db2.gz GZWYZKCGESGAKX-LBPRGKRZSA-N 2 2 226.364 1.365 10 0 BDAELP C[N@H+]1CCC[C@@H](NC2=[NH+]CCCS2)C1 ZINC000040715965 173021514 /nfs/dbraw/zinc/02/15/14/173021514.db2.gz BYUARESUNIWODL-SECBINFHSA-N 2 2 213.350 1.163 10 0 BDAELP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC000037485043 173147048 /nfs/dbraw/zinc/14/70/48/173147048.db2.gz KITNGDPWEDUUMZ-SECBINFHSA-N 2 2 242.754 1.115 10 0 BDAELP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC000037485043 173147050 /nfs/dbraw/zinc/14/70/50/173147050.db2.gz KITNGDPWEDUUMZ-SECBINFHSA-N 2 2 242.754 1.115 10 0 BDAELP C[N@@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059495 173174686 /nfs/dbraw/zinc/17/46/86/173174686.db2.gz QZOBGDSTFFIDKH-UHFFFAOYSA-N 2 2 211.334 1.325 10 0 BDAELP C[N@H+]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000041059495 173174688 /nfs/dbraw/zinc/17/46/88/173174688.db2.gz QZOBGDSTFFIDKH-UHFFFAOYSA-N 2 2 211.334 1.325 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1cc(C)[nH]c1C ZINC000077303676 173353220 /nfs/dbraw/zinc/35/32/20/173353220.db2.gz WSVXASWICZAURC-UHFFFAOYSA-N 2 2 209.337 1.325 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1cc(C)[nH]c1C ZINC000077303676 173353221 /nfs/dbraw/zinc/35/32/21/173353221.db2.gz WSVXASWICZAURC-UHFFFAOYSA-N 2 2 209.337 1.325 10 0 BDAELP C[NH2+]CCc1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC000019734005 173361027 /nfs/dbraw/zinc/36/10/27/173361027.db2.gz KOOMURATWKHVOM-UHFFFAOYSA-N 2 2 235.287 1.342 10 0 BDAELP C[NH2+]CCn1c[nH+]c2cc(C)c(C)cc21 ZINC000042410075 173361960 /nfs/dbraw/zinc/36/19/60/173361960.db2.gz NEBZSYZICRDKQC-UHFFFAOYSA-N 2 2 203.289 1.873 10 0 BDAELP C[NH2+]C[C@@H]1C[N@H+](CCCc2ccccc2)CCO1 ZINC000071563502 173371669 /nfs/dbraw/zinc/37/16/69/173371669.db2.gz QSYLRYJSYGROHN-OAHLLOKOSA-N 2 2 248.370 1.539 10 0 BDAELP C[NH2+]C[C@@H]1C[N@@H+](CCCc2ccccc2)CCO1 ZINC000071563502 173371671 /nfs/dbraw/zinc/37/16/71/173371671.db2.gz QSYLRYJSYGROHN-OAHLLOKOSA-N 2 2 248.370 1.539 10 0 BDAELP C[NH2+]Cc1coc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000052382577 173392820 /nfs/dbraw/zinc/39/28/20/173392820.db2.gz OFQKKWDXTIBBQK-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1coc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000052382577 173392821 /nfs/dbraw/zinc/39/28/21/173392821.db2.gz OFQKKWDXTIBBQK-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1nc(C[NH+]2CCCC2)cs1 ZINC000052377255 173395576 /nfs/dbraw/zinc/39/55/76/173395576.db2.gz KVGYDODXDLGHNF-UHFFFAOYSA-N 2 2 211.334 1.458 10 0 BDAELP COCCC[N@H+](CCOC)C[C@H]1CCCC[NH2+]1 ZINC000042425409 174223461 /nfs/dbraw/zinc/22/34/61/174223461.db2.gz XLGIKNTZSWTQKB-CYBMUJFWSA-N 2 2 244.379 1.113 10 0 BDAELP COCCC[N@@H+](CCOC)C[C@H]1CCCC[NH2+]1 ZINC000042425409 174223463 /nfs/dbraw/zinc/22/34/63/174223463.db2.gz XLGIKNTZSWTQKB-CYBMUJFWSA-N 2 2 244.379 1.113 10 0 BDAELP COCC[N@H+](C)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915071 174282235 /nfs/dbraw/zinc/28/22/35/174282235.db2.gz DZIWEKMVLCZCQO-ZWNOBZJWSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915071 174282236 /nfs/dbraw/zinc/28/22/36/174282236.db2.gz DZIWEKMVLCZCQO-ZWNOBZJWSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@H+](C)[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043036269 174282570 /nfs/dbraw/zinc/28/25/70/174282570.db2.gz JWHGSKWGCFKLHL-GXTWGEPZSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043036269 174282571 /nfs/dbraw/zinc/28/25/71/174282571.db2.gz JWHGSKWGCFKLHL-GXTWGEPZSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+](C)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915069 174284106 /nfs/dbraw/zinc/28/41/06/174284106.db2.gz DZIWEKMVLCZCQO-MFKMUULPSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042915069 174284107 /nfs/dbraw/zinc/28/41/07/174284107.db2.gz DZIWEKMVLCZCQO-MFKMUULPSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[NH2+]CC[N@H+](C)Cc1ccccc1C ZINC000042427987 174332479 /nfs/dbraw/zinc/33/24/79/174332479.db2.gz ZUEZYOAZWDBQEG-UHFFFAOYSA-N 2 2 236.359 1.663 10 0 BDAELP COCC[NH2+]CC[N@@H+](C)Cc1ccccc1C ZINC000042427987 174332480 /nfs/dbraw/zinc/33/24/80/174332480.db2.gz ZUEZYOAZWDBQEG-UHFFFAOYSA-N 2 2 236.359 1.663 10 0 BDAELP COc1ccc(C[N@H+](CC[NH3+])C2CC2)cc1C ZINC000076617284 175097082 /nfs/dbraw/zinc/09/70/82/175097082.db2.gz SKLKPFKRKHHFMX-UHFFFAOYSA-N 2 2 234.343 1.927 10 0 BDAELP COc1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1C ZINC000076617284 175097083 /nfs/dbraw/zinc/09/70/83/175097083.db2.gz SKLKPFKRKHHFMX-UHFFFAOYSA-N 2 2 234.343 1.927 10 0 BDAELP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000071544637 175099556 /nfs/dbraw/zinc/09/95/56/175099556.db2.gz XWQCBDNWFDJVSQ-LBPRGKRZSA-N 2 2 234.343 1.879 10 0 BDAELP COc1ccc(C[N@H+]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000071544637 175099557 /nfs/dbraw/zinc/09/95/57/175099557.db2.gz XWQCBDNWFDJVSQ-LBPRGKRZSA-N 2 2 234.343 1.879 10 0 BDAELP COc1ccc([C@@H]([NH3+])C[NH3+])c(Cl)c1OC ZINC000044469762 175179837 /nfs/dbraw/zinc/17/98/37/175179837.db2.gz QXJRXTDIBUIVTK-ZETCQYMHSA-N 2 2 230.695 1.316 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324569765 487630297 /nfs/dbraw/zinc/63/02/97/487630297.db2.gz WFWJHUVCBHXBMB-RYUDHWBXSA-N 2 2 228.380 1.467 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324569765 487630304 /nfs/dbraw/zinc/63/03/04/487630304.db2.gz WFWJHUVCBHXBMB-RYUDHWBXSA-N 2 2 228.380 1.467 10 0 BDAELP COc1cccc2c([C@H](C[NH3+])[NH+](C)C)c[nH]c21 ZINC000082605157 175299877 /nfs/dbraw/zinc/29/98/77/175299877.db2.gz MZDYWCKVIJXYKJ-NSHDSACASA-N 2 2 233.315 1.738 10 0 BDAELP CSc1nccnc1C[NH2+]C1CC[NH2+]CC1 ZINC000095071931 175590545 /nfs/dbraw/zinc/59/05/45/175590545.db2.gz YBWOFDXHMZCDHC-UHFFFAOYSA-N 2 2 238.360 1.040 10 0 BDAELP C[C@@H](c1ccco1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662003 176032900 /nfs/dbraw/zinc/03/29/00/176032900.db2.gz YMIABTRHJFSCSH-MNOVXSKESA-N 2 2 208.305 1.882 10 0 BDAELP C[C@@H](c1ccco1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662003 176032902 /nfs/dbraw/zinc/03/29/02/176032902.db2.gz YMIABTRHJFSCSH-MNOVXSKESA-N 2 2 208.305 1.882 10 0 BDAELP C[C@@H](c1ccncc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539551 176035519 /nfs/dbraw/zinc/03/55/19/176035519.db2.gz OJODNIDJVRDYJB-WCQYABFASA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H](c1ccncc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539551 176035520 /nfs/dbraw/zinc/03/55/20/176035520.db2.gz OJODNIDJVRDYJB-WCQYABFASA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H]1C[NH+](Cc2ccc(C[NH3+])o2)C[C@@H](C)O1 ZINC000052380415 176303456 /nfs/dbraw/zinc/30/34/56/176303456.db2.gz CDJFNFCGTQKLHG-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H](c1ccc2c(c1)OCO2)[N@@H+]1CCC[NH2+]CC1 ZINC000022101724 177034993 /nfs/dbraw/zinc/03/49/93/177034993.db2.gz OEBBLUMERXFIQH-LLVKDONJSA-N 2 2 248.326 1.772 10 0 BDAELP C[C@H](c1ccc2c(c1)OCO2)[N@H+]1CCC[NH2+]CC1 ZINC000022101724 177034994 /nfs/dbraw/zinc/03/49/94/177034994.db2.gz OEBBLUMERXFIQH-LLVKDONJSA-N 2 2 248.326 1.772 10 0 BDAELP C[C@H](c1ccc2c(c1)OCO2)[N@H+](C)CC[NH3+] ZINC000054416777 177035448 /nfs/dbraw/zinc/03/54/48/177035448.db2.gz SWAMHZPWSGEKNZ-SECBINFHSA-N 2 2 222.288 1.367 10 0 BDAELP C[C@H](c1ccc2c(c1)OCO2)[N@@H+](C)CC[NH3+] ZINC000054416777 177035449 /nfs/dbraw/zinc/03/54/49/177035449.db2.gz SWAMHZPWSGEKNZ-SECBINFHSA-N 2 2 222.288 1.367 10 0 BDAELP C[C@H]1CCC[N@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052381433 177102271 /nfs/dbraw/zinc/10/22/71/177102271.db2.gz PFWWUHBQYYLGRO-VIFPVBQESA-N 2 2 225.361 1.834 10 0 BDAELP C[C@H]1CCC[N@@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052381433 177102273 /nfs/dbraw/zinc/10/22/73/177102273.db2.gz PFWWUHBQYYLGRO-VIFPVBQESA-N 2 2 225.361 1.834 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1([NH3+])CCCCC1 ZINC000035787397 177244623 /nfs/dbraw/zinc/24/46/23/177244623.db2.gz XYHNCNYAHGDOBW-NEPJUHHUSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CC1([NH3+])CCCCC1 ZINC000035787397 177244625 /nfs/dbraw/zinc/24/46/25/177244625.db2.gz XYHNCNYAHGDOBW-NEPJUHHUSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1occc1C[NH3+] ZINC000052476446 177272085 /nfs/dbraw/zinc/27/20/85/177272085.db2.gz PLUBYZZHGRHQKE-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1occc1C[NH3+] ZINC000052476446 177272087 /nfs/dbraw/zinc/27/20/87/177272087.db2.gz PLUBYZZHGRHQKE-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000049661667 177282598 /nfs/dbraw/zinc/28/25/98/177282598.db2.gz OYNRUAZHUBCWLX-NSHDSACASA-N 2 2 222.307 1.867 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000049661667 177282599 /nfs/dbraw/zinc/28/25/99/177282599.db2.gz OYNRUAZHUBCWLX-NSHDSACASA-N 2 2 222.307 1.867 10 0 BDAELP C[C@H]1C[NH2+]C[C@H](C)C[NH+](C2CC[NH+](C)CC2)C1 ZINC000049665947 177286013 /nfs/dbraw/zinc/28/60/13/177286013.db2.gz OBFAMWTUKLPPTM-STQMWFEESA-N 3 2 239.407 1.258 10 0 BDAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075326 177358765 /nfs/dbraw/zinc/35/87/65/177358765.db2.gz SDEFAJJMNSTIIT-GVXVVHGQSA-N 2 2 236.363 1.398 10 0 BDAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cncs1 ZINC000306573406 177397123 /nfs/dbraw/zinc/39/71/23/177397123.db2.gz ICKDOTHAMDSGPW-PSASIEDQSA-N 2 2 211.334 1.373 10 0 BDAELP CC[C@H]1CN(c2cccc[nH+]2)CC[C@H]1[NH3+] ZINC000251852057 487802271 /nfs/dbraw/zinc/80/22/71/487802271.db2.gz RWJJIOSJBZUGMA-WDEREUQCSA-N 2 2 205.305 1.645 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000389540639 487827662 /nfs/dbraw/zinc/82/76/62/487827662.db2.gz KEAKUHDBLQQVFE-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)C1 ZINC000389540639 487827667 /nfs/dbraw/zinc/82/76/67/487827667.db2.gz KEAKUHDBLQQVFE-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000309943436 487870559 /nfs/dbraw/zinc/87/05/59/487870559.db2.gz CLRQDDZLOYGNNH-RWMBFGLXSA-N 2 2 228.380 1.730 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000309943436 487870567 /nfs/dbraw/zinc/87/05/67/487870567.db2.gz CLRQDDZLOYGNNH-RWMBFGLXSA-N 2 2 228.380 1.730 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000563350337 323120064 /nfs/dbraw/zinc/12/00/64/323120064.db2.gz WXKOSZDXQYYAKN-NEPJUHHUSA-N 2 2 236.363 1.776 10 0 BDAELP Cc1cc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc[nH+]1 ZINC000092349858 488090752 /nfs/dbraw/zinc/09/07/52/488090752.db2.gz VHNJOXBGHGKFDY-JQWIXIFHSA-N 2 2 233.315 1.704 10 0 BDAELP Cn1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000122828001 490178022 /nfs/dbraw/zinc/17/80/22/490178022.db2.gz SMBGOBIPTWZVST-ZDUSSCGKSA-N 2 2 245.330 1.281 10 0 BDAELP Cn1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000122828001 490178027 /nfs/dbraw/zinc/17/80/27/490178027.db2.gz SMBGOBIPTWZVST-ZDUSSCGKSA-N 2 2 245.330 1.281 10 0 BDAELP Cc1ccc([C@@H]([NH3+])c2noc(C[NH3+])n2)cc1F ZINC000095533053 525767682 /nfs/dbraw/zinc/76/76/82/525767682.db2.gz OYSQDSNFEKIKGU-SNVBAGLBSA-N 2 2 236.250 1.024 10 0 BDAELP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400420613 528180045 /nfs/dbraw/zinc/18/00/45/528180045.db2.gz WRUHHIZPLPEUML-YNEHKIRRSA-N 3 2 227.396 1.304 10 0 BDAELP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400420610 528179934 /nfs/dbraw/zinc/17/99/34/528179934.db2.gz WRUHHIZPLPEUML-RWMBFGLXSA-N 3 2 227.396 1.304 10 0 BDAELP COC1(C[N@@H+]2CC[C@@H]2C[NH3+])CCCCC1 ZINC000757143699 582524026 /nfs/dbraw/zinc/52/40/26/582524026.db2.gz HMXQPKOHSJUPNM-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP COC1(C[N@H+]2CC[C@@H]2C[NH3+])CCCCC1 ZINC000757143699 582524027 /nfs/dbraw/zinc/52/40/27/582524027.db2.gz HMXQPKOHSJUPNM-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C1C[C@]2(C[NH2+]1)[NH2+]C1(CCCCC1)CCO2 ZINC000757152505 582536514 /nfs/dbraw/zinc/53/65/14/582536514.db2.gz SNYRZLPHZBTQRU-LBPRGKRZSA-N 2 2 210.321 1.389 10 0 BDAELP C[C@@H](F)C[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129019 586426297 /nfs/dbraw/zinc/42/62/97/586426297.db2.gz KQDDLNSMCGTOFI-DGCLKSJQSA-N 2 2 226.339 1.905 10 0 BDAELP C[C@@H](F)C[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129019 586426299 /nfs/dbraw/zinc/42/62/99/586426299.db2.gz KQDDLNSMCGTOFI-DGCLKSJQSA-N 2 2 226.339 1.905 10 0 BDAELP CC(C)(C)[C@@H]1CCO[C@]2(CCC[NH2+]C2)[NH2+]1 ZINC000757138952 586427539 /nfs/dbraw/zinc/42/75/39/586427539.db2.gz AEVAMCDCKKJHKY-JQWIXIFHSA-N 2 2 212.337 1.491 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)[C@H]1[NH3+] ZINC000757213694 586439855 /nfs/dbraw/zinc/43/98/55/586439855.db2.gz LOKYLSVABMXBND-JIMOISOXSA-N 3 2 219.332 1.143 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2ccc(C[NH3+])cc2)[C@@H]1[NH3+] ZINC000757213701 586439899 /nfs/dbraw/zinc/43/98/99/586439899.db2.gz LOKYLSVABMXBND-OASPWFOLSA-N 3 2 219.332 1.143 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214541 586440136 /nfs/dbraw/zinc/44/01/36/586440136.db2.gz MPKYWJCYNHTCOS-OASPWFOLSA-N 3 2 219.332 1.286 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218242 586441537 /nfs/dbraw/zinc/44/15/37/586441537.db2.gz UQSHEGCIWVNPGJ-JIMOISOXSA-N 3 2 219.332 1.286 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218247 586441826 /nfs/dbraw/zinc/44/18/26/586441826.db2.gz UQSHEGCIWVNPGJ-WQAKAFBOSA-N 3 2 219.332 1.286 10 0 BDAELP [NH3+][C@@H]1CC[C@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757220811 586442372 /nfs/dbraw/zinc/44/23/72/586442372.db2.gz ZNUHAIHLLBYYAY-VXNVDRBHSA-N 2 2 210.302 1.312 10 0 BDAELP C[C@@H]1[NH2+][C@H](c2cnn(C(C)(C)C)c2)CC[C@@H]1[NH3+] ZINC000757239468 586444206 /nfs/dbraw/zinc/44/42/06/586444206.db2.gz UINLNCNTUHHCJA-DLOVCJGASA-N 2 2 236.363 1.778 10 0 BDAELP C[C@@H]1[NH2+][C@H](c2cnn(C(C)(C)C)c2)CC[C@H]1[NH3+] ZINC000757239482 586444221 /nfs/dbraw/zinc/44/42/21/586444221.db2.gz UINLNCNTUHHCJA-WCQGTBRESA-N 2 2 236.363 1.778 10 0 BDAELP C[C@@H](O)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336777381 635286859 /nfs/dbraw/zinc/28/68/59/635286859.db2.gz IHAFRPZKABHZBR-RKDXNWHRSA-N 2 2 243.376 1.064 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1[NH3+] ZINC000712440197 712429926 /nfs/dbraw/zinc/42/99/26/712429926.db2.gz YZYSEEXMRQOSTR-WOPDTQHZSA-N 2 2 224.348 1.367 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)O2)C[C@@H]1[NH3+] ZINC000712440197 712429928 /nfs/dbraw/zinc/42/99/28/712429928.db2.gz YZYSEEXMRQOSTR-WOPDTQHZSA-N 2 2 224.348 1.367 10 0 BDAELP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H]2C[NH3+])OC1 ZINC000713592119 712466270 /nfs/dbraw/zinc/46/62/70/712466270.db2.gz MECQLYPAKDZWRL-NWDGAFQWSA-N 2 2 226.364 1.615 10 0 BDAELP CC1(C)CC[C@H](C[N@H+]2CCC[C@H]2C[NH3+])OC1 ZINC000713592119 712466271 /nfs/dbraw/zinc/46/62/71/712466271.db2.gz MECQLYPAKDZWRL-NWDGAFQWSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714375516 712484533 /nfs/dbraw/zinc/48/45/33/712484533.db2.gz VEKZCTNOTCGOPQ-UTUOFQBUSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CCCC(C)(C)O2)C[C@@H]1[NH3+] ZINC000714375516 712484535 /nfs/dbraw/zinc/48/45/35/712484535.db2.gz VEKZCTNOTCGOPQ-UTUOFQBUSA-N 2 2 226.364 1.613 10 0 BDAELP CC[C@](C)(O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717429401 712657313 /nfs/dbraw/zinc/65/73/13/712657313.db2.gz IPNJDQWSKZBVQL-AGIUHOORSA-N 2 2 226.364 1.316 10 0 BDAELP CC[C@](C)(O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717429401 712657314 /nfs/dbraw/zinc/65/73/14/712657314.db2.gz IPNJDQWSKZBVQL-AGIUHOORSA-N 2 2 226.364 1.316 10 0 BDAELP CC[C@](C)(O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717429401 712657315 /nfs/dbraw/zinc/65/73/15/712657315.db2.gz IPNJDQWSKZBVQL-AGIUHOORSA-N 2 2 226.364 1.316 10 0 BDAELP CC[C@](C)(O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717429401 712657316 /nfs/dbraw/zinc/65/73/16/712657316.db2.gz IPNJDQWSKZBVQL-AGIUHOORSA-N 2 2 226.364 1.316 10 0 BDAELP FC(F)(F)C(F)(F)OCC[NH2+][C@H]1CC[NH2+]C1 ZINC000720283630 712830314 /nfs/dbraw/zinc/83/03/14/712830314.db2.gz PJAHSLSWUVDVNK-LURJTMIESA-N 2 2 248.195 1.110 10 0 BDAELP CC(C)c1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708874100 712202164 /nfs/dbraw/zinc/20/21/64/712202164.db2.gz CQRDVBPAGNVFIW-WDEREUQCSA-N 2 2 237.347 1.825 10 0 BDAELP CC(C)c1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000708874100 712202165 /nfs/dbraw/zinc/20/21/65/712202165.db2.gz CQRDVBPAGNVFIW-WDEREUQCSA-N 2 2 237.347 1.825 10 0 BDAELP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(c1cccc[nH+]1)C2 ZINC000709796367 712227411 /nfs/dbraw/zinc/22/74/11/712227411.db2.gz VQSVBJDPHBFVKU-DCAQKATOSA-N 2 2 203.289 1.398 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000716267855 712553432 /nfs/dbraw/zinc/55/34/32/712553432.db2.gz VSOIDECTUKHGPB-STQMWFEESA-N 2 2 238.375 1.759 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(CCC2)CO1 ZINC000716267855 712553433 /nfs/dbraw/zinc/55/34/33/712553433.db2.gz VSOIDECTUKHGPB-STQMWFEESA-N 2 2 238.375 1.759 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000720871887 712872414 /nfs/dbraw/zinc/87/24/14/712872414.db2.gz NHCUBIJVAKIVFC-MOLYVOAJSA-N 2 2 224.348 1.223 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C[C@@H]1[NH3+] ZINC000720871887 712872415 /nfs/dbraw/zinc/87/24/15/712872415.db2.gz NHCUBIJVAKIVFC-MOLYVOAJSA-N 2 2 224.348 1.223 10 0 BDAELP [NH3+]C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(F)(F)F ZINC000720873859 712873456 /nfs/dbraw/zinc/87/34/56/712873456.db2.gz WSXQHPUXTQMZFY-BDAKNGLRSA-N 2 2 245.248 1.655 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1CCOC[C@H]1C ZINC000035774918 168322463 /nfs/dbraw/zinc/32/24/63/168322463.db2.gz YQGJVIJDCKRRTM-SNVBAGLBSA-N 2 2 200.326 1.225 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1CCOC[C@H]1C ZINC000035774918 168322465 /nfs/dbraw/zinc/32/24/65/168322465.db2.gz YQGJVIJDCKRRTM-SNVBAGLBSA-N 2 2 200.326 1.225 10 0 BDAELP Cc1cc(N(C)CCC(N)=[NH2+])nc(C(C)C)[nH+]1 ZINC000035663815 178098695 /nfs/dbraw/zinc/09/86/95/178098695.db2.gz SITRRHHWSHALLR-UHFFFAOYSA-N 2 2 235.335 1.671 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[NH2+]CC1(C)C ZINC000649410215 398209247 /nfs/dbraw/zinc/20/92/47/398209247.db2.gz ZXTILPLXJMMQLU-UHFFFAOYSA-N 2 2 236.363 1.648 10 0 BDAELP Cc1cc(NC[C@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000133807762 178170695 /nfs/dbraw/zinc/17/06/95/178170695.db2.gz AZBXBNNMWJNIRH-NSHDSACASA-N 2 2 234.347 1.930 10 0 BDAELP Cc1cc(N[C@H]2CCCC[C@@H]2[NH3+])nc[nH+]1 ZINC000040727552 178188910 /nfs/dbraw/zinc/18/89/10/178188910.db2.gz SGSVEVVQBYKOCN-UWVGGRQHSA-N 2 2 206.293 1.467 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1csc(Br)c1 ZINC000306642147 361757371 /nfs/dbraw/zinc/75/73/71/361757371.db2.gz RUZJZPVSKRSJSQ-LURJTMIESA-N 2 2 235.150 1.730 10 0 BDAELP COc1ccc[nH+]c1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382447794 361937042 /nfs/dbraw/zinc/93/70/42/361937042.db2.gz BTCHRSPILQXBHN-VHSXEESVSA-N 2 2 221.304 1.630 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000390505594 539022797 /nfs/dbraw/zinc/02/27/97/539022797.db2.gz WTYFIZSWNQHWMK-RWMBFGLXSA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000390505594 539022799 /nfs/dbraw/zinc/02/27/99/539022799.db2.gz WTYFIZSWNQHWMK-RWMBFGLXSA-N 2 2 228.380 1.731 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000222589355 259328599 /nfs/dbraw/zinc/32/85/99/259328599.db2.gz OLWBVTNXHCLUPO-MJBXVCDLSA-N 2 2 239.407 1.543 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000222589355 259328600 /nfs/dbraw/zinc/32/86/00/259328600.db2.gz OLWBVTNXHCLUPO-MJBXVCDLSA-N 2 2 239.407 1.543 10 0 BDAELP c1csc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000045946212 343013385 /nfs/dbraw/zinc/01/33/85/343013385.db2.gz CDAXHQONDQKFOS-UHFFFAOYSA-N 2 2 207.302 1.804 10 0 BDAELP c1csc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000045946212 343013386 /nfs/dbraw/zinc/01/33/86/343013386.db2.gz CDAXHQONDQKFOS-UHFFFAOYSA-N 2 2 207.302 1.804 10 0 BDAELP C[NH+](C)[C@]1([C@H]([NH3+])c2ccccc2)CCOC1 ZINC000144433975 343134525 /nfs/dbraw/zinc/13/45/25/343134525.db2.gz ABTPSUXVLLEKGF-CHWSQXEVSA-N 2 2 220.316 1.407 10 0 BDAELP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1C[Si](C)(C)C ZINC000401789861 343241538 /nfs/dbraw/zinc/24/15/38/343241538.db2.gz HSTDCYKXQIAYHB-VHSXEESVSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@H]1[C@H]([NH3+])CCC[N@H+]1C[Si](C)(C)C ZINC000401789861 343241539 /nfs/dbraw/zinc/24/15/39/343241539.db2.gz HSTDCYKXQIAYHB-VHSXEESVSA-N 2 2 200.402 1.675 10 0 BDAELP Cc1cn2cc(CSC(N)=[NH2+])ccc2[nH+]1 ZINC000039110260 343385008 /nfs/dbraw/zinc/38/50/08/343385008.db2.gz OUZYPZCYYGYUMD-UHFFFAOYSA-N 2 2 220.301 1.769 10 0 BDAELP c1nc(NC[C@@H]2CCC[NH2+]2)cc(N2CCCC2)[nH+]1 ZINC000258736375 136373829 /nfs/dbraw/zinc/37/38/29/136373829.db2.gz VTQBGMOBDDNULC-NSHDSACASA-N 2 2 247.346 1.241 10 0 BDAELP C[C@H]([NH3+])[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000047845230 343567173 /nfs/dbraw/zinc/56/71/73/343567173.db2.gz KPXSLYDRCRQFRW-IMTBSYHQSA-N 2 2 229.121 1.796 10 0 BDAELP CC[C@](C)(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232265 343972988 /nfs/dbraw/zinc/97/29/88/343972988.db2.gz KIPWOWGZWWUZNW-LLVKDONJSA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@](C)(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232265 343972992 /nfs/dbraw/zinc/97/29/92/343972992.db2.gz KIPWOWGZWWUZNW-LLVKDONJSA-N 2 2 200.326 1.225 10 0 BDAELP C[C@@H]1C[NH+](C2(C[NH3+])CC2)C[C@@H](C)S1 ZINC000235330724 344886662 /nfs/dbraw/zinc/88/66/62/344886662.db2.gz MUXXUGOCSBODOG-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC000247963387 344992792 /nfs/dbraw/zinc/99/27/92/344992792.db2.gz GIMFWFPUAQUKAV-QWRGUYRKSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H](c1ccccn1)[N@H+]1CCC[C@H]1C[NH3+] ZINC000247963387 344992793 /nfs/dbraw/zinc/99/27/93/344992793.db2.gz GIMFWFPUAQUKAV-QWRGUYRKSA-N 2 2 205.305 1.566 10 0 BDAELP COc1ccc(Br)c([C@@H]([NH3+])C[NH3+])c1 ZINC000044470278 345086125 /nfs/dbraw/zinc/08/61/25/345086125.db2.gz UALNOARXEQNUOL-VIFPVBQESA-N 2 2 245.120 1.416 10 0 BDAELP CC1(C)C[C@@H]1[NH2+]C[C@H]1CSCC[NH2+]1 ZINC000127122085 345158423 /nfs/dbraw/zinc/15/84/23/345158423.db2.gz BULDMLOHOCPPGD-IUCAKERBSA-N 2 2 200.351 1.080 10 0 BDAELP COC[C@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249777468 537894758 /nfs/dbraw/zinc/89/47/58/537894758.db2.gz KQYFGRCOVIYYLT-OLZOCXBDSA-N 2 2 237.347 1.630 10 0 BDAELP COC[C@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249777468 537894769 /nfs/dbraw/zinc/89/47/69/537894769.db2.gz KQYFGRCOVIYYLT-OLZOCXBDSA-N 2 2 237.347 1.630 10 0 BDAELP Cc1[nH]c(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)[nH+]c1C ZINC000628279772 346290972 /nfs/dbraw/zinc/29/09/72/346290972.db2.gz YONDPUBERPTBOF-CABZTGNLSA-N 2 2 236.363 1.408 10 0 BDAELP C[NH2+]C[C@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000160282857 346445728 /nfs/dbraw/zinc/44/57/28/346445728.db2.gz WMNHEOHPEKJSOK-SNVBAGLBSA-N 2 2 221.304 1.136 10 0 BDAELP C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1nccs1 ZINC000161676807 346496142 /nfs/dbraw/zinc/49/61/42/346496142.db2.gz MTBQSRAYFWGPSK-BDAKNGLRSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1nccs1 ZINC000161676807 346496146 /nfs/dbraw/zinc/49/61/46/346496146.db2.gz MTBQSRAYFWGPSK-BDAKNGLRSA-N 2 2 211.334 1.355 10 0 BDAELP Cc1cccc(OCC[C@@H](C[NH3+])[NH+](C)C)c1 ZINC000019663667 179169835 /nfs/dbraw/zinc/16/98/35/179169835.db2.gz MBENTOKYEPZJDU-LBPRGKRZSA-N 2 2 222.332 1.653 10 0 BDAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](CCO)C2CC2)c1 ZINC000042967509 179188107 /nfs/dbraw/zinc/18/81/07/179188107.db2.gz KMMNIXKRVIBONT-SWLSCSKDSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](CCO)C2CC2)c1 ZINC000042967509 179188109 /nfs/dbraw/zinc/18/81/09/179188109.db2.gz KMMNIXKRVIBONT-SWLSCSKDSA-N 2 2 248.370 1.840 10 0 BDAELP C[N@H+](C[C@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000250401030 362803748 /nfs/dbraw/zinc/80/37/48/362803748.db2.gz MGAFKTCVJHEVQJ-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP C[N@@H+](C[C@H]1CCCC[NH2+]1)[C@H]1CCSC1 ZINC000250401030 362803750 /nfs/dbraw/zinc/80/37/50/362803750.db2.gz MGAFKTCVJHEVQJ-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP Cc1ccccc1[C@@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000036946856 179324714 /nfs/dbraw/zinc/32/47/14/179324714.db2.gz XYKDDSFKKRQPNH-NSHDSACASA-N 2 2 201.273 1.961 10 0 BDAELP CCC(CC)[NH2+]C[C@]1(O)CC[NH2+]CC1(F)F ZINC000669382442 537998441 /nfs/dbraw/zinc/99/84/41/537998441.db2.gz LHIKJHGGSUREJF-SNVBAGLBSA-N 2 2 236.306 1.124 10 0 BDAELP CC(C)C[C@H]([NH3+])CN1CCn2cc[nH+]c2C1 ZINC000062321506 187396648 /nfs/dbraw/zinc/39/66/48/187396648.db2.gz SBRCOTHTCZQXRM-NSHDSACASA-N 2 2 222.336 1.072 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000307319027 490343962 /nfs/dbraw/zinc/34/39/62/490343962.db2.gz MYBYQALXHASISD-PSASIEDQSA-N 2 2 200.351 1.032 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000307319027 490343964 /nfs/dbraw/zinc/34/39/64/490343964.db2.gz MYBYQALXHASISD-PSASIEDQSA-N 2 2 200.351 1.032 10 0 BDAELP Cc1nc(NCC2CC[NH2+]CC2)cc[nH+]1 ZINC000054936827 180198644 /nfs/dbraw/zinc/19/86/44/180198644.db2.gz RIZDZEACFOZWMB-UHFFFAOYSA-N 2 2 206.293 1.197 10 0 BDAELP Cc1[nH+]ccn1CCSc1ccc(N)[nH+]c1 ZINC000049330715 180262137 /nfs/dbraw/zinc/26/21/37/180262137.db2.gz VAYMGCUGWGRXNW-UHFFFAOYSA-N 2 2 234.328 1.961 10 0 BDAELP [NH3+]CCN1c2ccccc2CC[C@H]1c1c[nH+]c[nH]1 ZINC000616593139 350513660 /nfs/dbraw/zinc/51/36/60/350513660.db2.gz KNNNZRPTYNRKPP-AWEZNQCLSA-N 2 2 242.326 1.862 10 0 BDAELP [NH3+]CCN1c2ccccc2CC[C@H]1c1c[nH]c[nH+]1 ZINC000616593139 350513663 /nfs/dbraw/zinc/51/36/63/350513663.db2.gz KNNNZRPTYNRKPP-AWEZNQCLSA-N 2 2 242.326 1.862 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccccc1CO ZINC000616607074 350800291 /nfs/dbraw/zinc/80/02/91/350800291.db2.gz FEUPADVLMIDDHH-ZDUSSCGKSA-N 2 2 220.316 1.275 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccccc1CO ZINC000616607074 350800294 /nfs/dbraw/zinc/80/02/94/350800294.db2.gz FEUPADVLMIDDHH-ZDUSSCGKSA-N 2 2 220.316 1.275 10 0 BDAELP Nc1cccc([C@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616614956 350844127 /nfs/dbraw/zinc/84/41/27/350844127.db2.gz NJIYFTYLBJHFGT-CYBMUJFWSA-N 2 2 219.332 1.755 10 0 BDAELP Nc1cccc([C@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616614956 350844130 /nfs/dbraw/zinc/84/41/30/350844130.db2.gz NJIYFTYLBJHFGT-CYBMUJFWSA-N 2 2 219.332 1.755 10 0 BDAELP NC(=O)c1ccccc1[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616615009 350845004 /nfs/dbraw/zinc/84/50/04/350845004.db2.gz PMUCNKGITNXBFY-CYBMUJFWSA-N 2 2 247.342 1.271 10 0 BDAELP NC(=O)c1ccccc1[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000616615009 350845005 /nfs/dbraw/zinc/84/50/05/350845005.db2.gz PMUCNKGITNXBFY-CYBMUJFWSA-N 2 2 247.342 1.271 10 0 BDAELP C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252892041 350917102 /nfs/dbraw/zinc/91/71/02/350917102.db2.gz MPMNLNHDIACNPG-DGCLKSJQSA-N 2 2 204.317 1.726 10 0 BDAELP C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252892041 350917108 /nfs/dbraw/zinc/91/71/08/350917108.db2.gz MPMNLNHDIACNPG-DGCLKSJQSA-N 2 2 204.317 1.726 10 0 BDAELP CCOC[C@](C)(C[NH3+])[NH2+]Cc1ccccc1 ZINC000230067392 350997965 /nfs/dbraw/zinc/99/79/65/350997965.db2.gz NDYUIKQPMSSPKQ-ZDUSSCGKSA-N 2 2 222.332 1.530 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc(CCO)c2)C1 ZINC000616621578 351043441 /nfs/dbraw/zinc/04/34/41/351043441.db2.gz SXARQPZQHJXGMG-HNNXBMFYSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc(CCO)c2)C1 ZINC000616621578 351043444 /nfs/dbraw/zinc/04/34/44/351043444.db2.gz SXARQPZQHJXGMG-HNNXBMFYSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CCN1CC[C@@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616674252 351238665 /nfs/dbraw/zinc/23/86/65/351238665.db2.gz GQWFJDQXPQNAGJ-LLVKDONJSA-N 2 2 242.326 1.710 10 0 BDAELP CC(C)[N@@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616658423 351204078 /nfs/dbraw/zinc/20/40/78/351204078.db2.gz FCIRPXHOZWRQTQ-LLVKDONJSA-N 2 2 209.293 1.165 10 0 BDAELP CC(C)[N@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616658423 351204080 /nfs/dbraw/zinc/20/40/80/351204080.db2.gz FCIRPXHOZWRQTQ-LLVKDONJSA-N 2 2 209.293 1.165 10 0 BDAELP CC[C@](C)([C@@H](C)[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000307150790 351505023 /nfs/dbraw/zinc/50/50/23/351505023.db2.gz UOCVKBPRVHPNGA-HBNTYKKESA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)([C@@H](C)[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000307150790 351505027 /nfs/dbraw/zinc/50/50/27/351505027.db2.gz UOCVKBPRVHPNGA-HBNTYKKESA-N 2 2 200.326 1.223 10 0 BDAELP C[NH2+][C@@]1(CO)CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000307262139 351808646 /nfs/dbraw/zinc/80/86/46/351808646.db2.gz RKFXXEBUWPUUGD-GXTWGEPZSA-N 2 2 234.343 1.231 10 0 BDAELP C[NH2+][C@@]1(CO)CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000307262139 351808648 /nfs/dbraw/zinc/80/86/48/351808648.db2.gz RKFXXEBUWPUUGD-GXTWGEPZSA-N 2 2 234.343 1.231 10 0 BDAELP C[C@@H]1CS[C@](C)([C@@H]2CCCC[NH2+]2)[NH2+]1 ZINC000307373535 352472078 /nfs/dbraw/zinc/47/20/78/352472078.db2.gz SGWZBFOOQXUAPO-KXUCPTDWSA-N 2 2 200.351 1.570 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000307601615 352667647 /nfs/dbraw/zinc/66/76/47/352667647.db2.gz VCDDVEGYCZDYFD-MXWKQRLJSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCO[C@H](C)[C@H]1C ZINC000307601615 352667650 /nfs/dbraw/zinc/66/76/50/352667650.db2.gz VCDDVEGYCZDYFD-MXWKQRLJSA-N 2 2 200.326 1.079 10 0 BDAELP C[C@@H]([NH3+])[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000307628935 352706079 /nfs/dbraw/zinc/70/60/79/352706079.db2.gz MRNHIVJCNPPTDQ-BDAKNGLRSA-N 2 2 210.346 1.842 10 0 BDAELP C[C@@H]([NH3+])[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000307628935 352706080 /nfs/dbraw/zinc/70/60/80/352706080.db2.gz MRNHIVJCNPPTDQ-BDAKNGLRSA-N 2 2 210.346 1.842 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+]1CCOC[C@H]1C ZINC000035774953 188104131 /nfs/dbraw/zinc/10/41/31/188104131.db2.gz PHMMVWUFPYPFID-NEPJUHHUSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@H+]1CCOC[C@H]1C ZINC000035774953 188104133 /nfs/dbraw/zinc/10/41/33/188104133.db2.gz PHMMVWUFPYPFID-NEPJUHHUSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)C[C@@H]1CSC(N[C@@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000042548626 188120943 /nfs/dbraw/zinc/12/09/43/188120943.db2.gz DJTHONPEXRGUAA-GHMZBOCLSA-N 2 2 241.404 1.798 10 0 BDAELP CC(C)C[C@@H]1CSC(N[C@@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000042548626 188120945 /nfs/dbraw/zinc/12/09/45/188120945.db2.gz DJTHONPEXRGUAA-GHMZBOCLSA-N 2 2 241.404 1.798 10 0 BDAELP C(C1CCOCC1)[N@@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000052174700 188126258 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CC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)[C@@H]1CCOC1 ZINC000389515645 356889333 /nfs/dbraw/zinc/88/93/33/356889333.db2.gz FYEGWIZDWLBBLA-AGIUHOORSA-N 2 2 226.364 1.485 10 0 BDAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)[C@@H]1CCOC1 ZINC000389515645 356889335 /nfs/dbraw/zinc/88/93/35/356889335.db2.gz FYEGWIZDWLBBLA-AGIUHOORSA-N 2 2 226.364 1.485 10 0 BDAELP C[N@@H+]1CCSC[C@@H]1[C@H]([NH3+])C(C)(C)C ZINC000300052947 357180911 /nfs/dbraw/zinc/18/09/11/357180911.db2.gz LQQWGSUQSARKGW-BDAKNGLRSA-N 2 2 202.367 1.407 10 0 BDAELP C[N@H+]1CCSC[C@@H]1[C@H]([NH3+])C(C)(C)C ZINC000300052947 357180913 /nfs/dbraw/zinc/18/09/13/357180913.db2.gz LQQWGSUQSARKGW-BDAKNGLRSA-N 2 2 202.367 1.407 10 0 BDAELP Cc1cnccc1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000395391633 357437194 /nfs/dbraw/zinc/43/71/94/357437194.db2.gz WYCWPLCAXQQVJP-JQWIXIFHSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cnccc1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000395391633 357437198 /nfs/dbraw/zinc/43/71/98/357437198.db2.gz WYCWPLCAXQQVJP-JQWIXIFHSA-N 2 2 205.305 1.169 10 0 BDAELP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386532605 357931048 /nfs/dbraw/zinc/93/10/48/357931048.db2.gz AXHSHZFOCOEUEI-YIZRAAEISA-N 2 2 240.269 1.030 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000160300711 357972206 /nfs/dbraw/zinc/97/22/06/357972206.db2.gz CJZKVVQLDQRXLX-ZJUUUORDSA-N 2 2 221.304 1.264 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000160299725 357972239 /nfs/dbraw/zinc/97/22/39/357972239.db2.gz FUTDVDKJMHYLDJ-VHSXEESVSA-N 2 2 221.304 1.264 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000160300514 357972316 /nfs/dbraw/zinc/97/23/16/357972316.db2.gz CJZKVVQLDQRXLX-UWVGGRQHSA-N 2 2 221.304 1.264 10 0 BDAELP Cc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)on1 ZINC000045011541 358398776 /nfs/dbraw/zinc/39/87/76/358398776.db2.gz WGBLMZJVJXIYSW-SNVBAGLBSA-N 2 2 209.293 1.072 10 0 BDAELP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000054936075 358879891 /nfs/dbraw/zinc/87/98/91/358879891.db2.gz 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ZINC000247210660 359202350 /nfs/dbraw/zinc/20/23/50/359202350.db2.gz VPXIDSCNRCACQX-SYQHCUMBSA-N 2 2 240.391 1.730 10 0 BDAELP COCC[N@H+](C)CC[NH2+]CC1CCC(C)CC1 ZINC000089577059 360027212 /nfs/dbraw/zinc/02/72/12/360027212.db2.gz LWXMURNMSSMUJR-UHFFFAOYSA-N 2 2 242.407 1.981 10 0 BDAELP COCC[N@@H+](C)CC[NH2+]CC1CCC(C)CC1 ZINC000089577059 360027217 /nfs/dbraw/zinc/02/72/17/360027217.db2.gz LWXMURNMSSMUJR-UHFFFAOYSA-N 2 2 242.407 1.981 10 0 BDAELP C1CC1[NH+]1CCC2(CC1)[NH2+]CCCS2 ZINC000306493520 360212202 /nfs/dbraw/zinc/21/22/02/360212202.db2.gz SBMNWOWODMZRMI-UHFFFAOYSA-N 2 2 212.362 1.667 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccncc2)C1 ZINC000309445684 491148448 /nfs/dbraw/zinc/14/84/48/491148448.db2.gz JRSXBEYYCYKATH-WCQYABFASA-N 2 2 219.332 1.511 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2ccncc2)C1 ZINC000309445684 491148449 /nfs/dbraw/zinc/14/84/49/491148449.db2.gz JRSXBEYYCYKATH-WCQYABFASA-N 2 2 219.332 1.511 10 0 BDAELP C[C@]1(C[NH+]2CCSCC2)CCC[NH2+]1 ZINC000070619559 361644245 /nfs/dbraw/zinc/64/42/45/361644245.db2.gz YVFFXZPBUOLXCV-SNVBAGLBSA-N 2 2 200.351 1.177 10 0 BDAELP [NH3+]C1CC[NH+](Cc2ccc(O)c(Cl)c2)CC1 ZINC000043489631 181345417 /nfs/dbraw/zinc/34/54/17/181345417.db2.gz FOZGJLVFRJIVIL-UHFFFAOYSA-N 2 2 240.734 1.969 10 0 BDAELP CCCCOCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630361153 364081196 /nfs/dbraw/zinc/08/11/96/364081196.db2.gz IMWMPAYJFUUESG-CHWSQXEVSA-N 2 2 244.379 1.241 10 0 BDAELP CCCCOCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000630361153 364081199 /nfs/dbraw/zinc/08/11/99/364081199.db2.gz IMWMPAYJFUUESG-CHWSQXEVSA-N 2 2 244.379 1.241 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccncc2C)[C@](C)(C[NH3+])C1 ZINC000630366456 364086513 /nfs/dbraw/zinc/08/65/13/364086513.db2.gz KQTIYVLMJIEPCF-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccncc2C)[C@](C)(C[NH3+])C1 ZINC000630366456 364086514 /nfs/dbraw/zinc/08/65/14/364086514.db2.gz KQTIYVLMJIEPCF-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP Cc1nc(N[C@H]2CC[C@@H](C)[NH2+]C2)cc[nH+]1 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C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cncs1 ZINC000252775497 368061608 /nfs/dbraw/zinc/06/16/08/368061608.db2.gz XFVRBMMWRQSIIZ-WCBMZHEXSA-N 2 2 211.334 1.355 10 0 BDAELP C[C@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000252982253 368177012 /nfs/dbraw/zinc/17/70/12/368177012.db2.gz VOIWKBHMJVSRJW-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@H]1C[N@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000252982253 368177018 /nfs/dbraw/zinc/17/70/18/368177018.db2.gz VOIWKBHMJVSRJW-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@@H+]1[C@H]1CC[NH2+]C1 ZINC000253062643 368443014 /nfs/dbraw/zinc/44/30/14/368443014.db2.gz FZCORUICCUJOBP-UTLUCORTSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@H+]1[C@H]1CC[NH2+]C1 ZINC000253062643 368443015 /nfs/dbraw/zinc/44/30/15/368443015.db2.gz FZCORUICCUJOBP-UTLUCORTSA-N 2 2 200.351 1.174 10 0 BDAELP [NH3+]CCN1CCc2ccccc2[C@@H]1c1c[nH+]c[nH]1 ZINC000616692421 369114555 /nfs/dbraw/zinc/11/45/55/369114555.db2.gz QZLXHYPXSGBAFP-CQSZACIVSA-N 2 2 242.326 1.316 10 0 BDAELP [NH3+]CCN1CCc2ccccc2[C@@H]1c1c[nH]c[nH+]1 ZINC000616692421 369114559 /nfs/dbraw/zinc/11/45/59/369114559.db2.gz QZLXHYPXSGBAFP-CQSZACIVSA-N 2 2 242.326 1.316 10 0 BDAELP Cc1cc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)ccn1 ZINC000621776561 370524357 /nfs/dbraw/zinc/52/43/57/370524357.db2.gz ONLKCGPVGCIBDT-JOYOIKCWSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)ccn1 ZINC000621776561 370524363 /nfs/dbraw/zinc/52/43/63/370524363.db2.gz ONLKCGPVGCIBDT-JOYOIKCWSA-N 2 2 205.305 1.169 10 0 BDAELP CC[C@@H]1CS[C@]2(C[NH2+]C[C@@H](C)C2)[NH2+]1 ZINC000401709553 371800437 /nfs/dbraw/zinc/80/04/37/371800437.db2.gz UUZPWTRIOYYPHQ-IVZWLZJFSA-N 2 2 200.351 1.427 10 0 BDAELP [NH3+][C@H]1CCC[N@H+](C[C@@H]2CSCCS2)C1 ZINC000229649580 372177954 /nfs/dbraw/zinc/17/79/54/372177954.db2.gz CSSNGGKVLJUWDT-VHSXEESVSA-N 2 2 232.418 1.258 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+](C[C@@H]2CSCCS2)C1 ZINC000229649580 372177959 /nfs/dbraw/zinc/17/79/59/372177959.db2.gz CSSNGGKVLJUWDT-VHSXEESVSA-N 2 2 232.418 1.258 10 0 BDAELP Cc1nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)co1 ZINC000631837034 372618075 /nfs/dbraw/zinc/61/80/75/372618075.db2.gz LVLDELSIEXVYRK-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)co1 ZINC000631837034 372618079 /nfs/dbraw/zinc/61/80/79/372618079.db2.gz LVLDELSIEXVYRK-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP O=C(C[NH2+]C[C@@H]1CC[NH2+]C1)c1cccs1 ZINC000095072807 181978565 /nfs/dbraw/zinc/97/85/65/181978565.db2.gz NCCSURUIXNEFSZ-SECBINFHSA-N 2 2 224.329 1.130 10 0 BDAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042915049 169166413 /nfs/dbraw/zinc/16/64/13/169166413.db2.gz KCVADMJZAZCKCY-CYBMUJFWSA-N 2 2 240.322 1.530 10 0 BDAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000042915049 169166415 /nfs/dbraw/zinc/16/64/15/169166415.db2.gz KCVADMJZAZCKCY-CYBMUJFWSA-N 2 2 240.322 1.530 10 0 BDAELP CCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860294 169211901 /nfs/dbraw/zinc/21/19/01/169211901.db2.gz YZTLFHHNRAFDRM-ZDUSSCGKSA-N 2 2 204.317 1.782 10 0 BDAELP CCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860294 169211903 /nfs/dbraw/zinc/21/19/03/169211903.db2.gz YZTLFHHNRAFDRM-ZDUSSCGKSA-N 2 2 204.317 1.782 10 0 BDAELP c1c[nH+]c(-c2ccccc2OCC2=[NH+]CCN2)[nH]1 ZINC000013437847 183383343 /nfs/dbraw/zinc/38/33/43/183383343.db2.gz SCBRBOJPMMAMHQ-UHFFFAOYSA-N 2 2 242.282 1.457 10 0 BDAELP CCC[NH2+]Cc1c(C)nn(C)c1-n1cc[nH+]c1 ZINC000034825235 169266044 /nfs/dbraw/zinc/26/60/44/169266044.db2.gz BBSCUVXGYGEZRH-UHFFFAOYSA-N 2 2 233.319 1.414 10 0 BDAELP CCCOC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042532 169300117 /nfs/dbraw/zinc/30/01/17/169300117.db2.gz ICMGVXKXXXCXSJ-LBPRGKRZSA-N 2 2 240.347 1.156 10 0 BDAELP CCCOC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042532 169300119 /nfs/dbraw/zinc/30/01/19/169300119.db2.gz ICMGVXKXXXCXSJ-LBPRGKRZSA-N 2 2 240.347 1.156 10 0 BDAELP CC[NH2+]C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000054935127 535453130 /nfs/dbraw/zinc/45/31/30/535453130.db2.gz BYDOWJNLDCZPPA-UHFFFAOYSA-N 2 2 220.320 1.363 10 0 BDAELP CCCc1[nH+]c2ccccc2n1CC[NH3+] ZINC000057798941 169595334 /nfs/dbraw/zinc/59/53/34/169595334.db2.gz ADZQXPJBHDZVFG-UHFFFAOYSA-N 2 2 203.289 1.948 10 0 BDAELP O=C1NC=[NH+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000087489348 383845886 /nfs/dbraw/zinc/84/58/86/383845886.db2.gz UCMFKIXRJBDWLN-CHWSQXEVSA-N 2 2 243.310 1.035 10 0 BDAELP O=C1NC=[NH+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000087489348 383845889 /nfs/dbraw/zinc/84/58/89/383845889.db2.gz UCMFKIXRJBDWLN-CHWSQXEVSA-N 2 2 243.310 1.035 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCOC1)C2 ZINC000309341523 383872333 /nfs/dbraw/zinc/87/23/33/383872333.db2.gz KKOWSVCSSNZOCM-UWVGGRQHSA-N 2 2 221.304 1.036 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000309341523 383872340 /nfs/dbraw/zinc/87/23/40/383872340.db2.gz KKOWSVCSSNZOCM-UWVGGRQHSA-N 2 2 221.304 1.036 10 0 BDAELP [NH3+]CCc1c[nH+]c2ccc(C(F)(F)F)cn12 ZINC000036291680 383892410 /nfs/dbraw/zinc/89/24/10/383892410.db2.gz RBWAWTKNXRBLGN-UHFFFAOYSA-N 2 2 229.205 1.854 10 0 BDAELP Cc1c(C[NH2+][C@H](C)Cn2cc[nH+]c2)cnn1C ZINC000093649968 384259273 /nfs/dbraw/zinc/25/92/73/384259273.db2.gz OGRAEAJQZMFMNZ-SNVBAGLBSA-N 2 2 233.319 1.103 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068320 384329437 /nfs/dbraw/zinc/32/94/37/384329437.db2.gz VLJHWKMPVUHAHI-GARJFASQSA-N 2 2 220.320 1.397 10 0 BDAELP [NH3+]Cc1ccc(F)c(Cn2cc[nH+]c2)c1 ZINC000019406873 384520369 /nfs/dbraw/zinc/52/03/69/384520369.db2.gz PUURIIOXNCEPDV-UHFFFAOYSA-N 2 2 205.236 1.529 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2CC2CC2)c[nH+]1 ZINC000163166056 384757131 /nfs/dbraw/zinc/75/71/31/384757131.db2.gz QLXMMUGQUFELOZ-LBPRGKRZSA-N 2 2 205.305 1.758 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2CC2CC2)c[nH+]1 ZINC000163166056 384757135 /nfs/dbraw/zinc/75/71/35/384757135.db2.gz QLXMMUGQUFELOZ-LBPRGKRZSA-N 2 2 205.305 1.758 10 0 BDAELP CO[C@@H](C[NH2+][C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000400167583 385333346 /nfs/dbraw/zinc/33/33/46/385333346.db2.gz LNECKODKHLAKGU-KGLIPLIRSA-N 2 2 242.407 1.977 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000309031361 385378856 /nfs/dbraw/zinc/37/88/56/385378856.db2.gz DYUYJXVYCZBFSX-TUAOUCFPSA-N 2 2 214.353 1.341 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309031361 385378861 /nfs/dbraw/zinc/37/88/61/385378861.db2.gz DYUYJXVYCZBFSX-TUAOUCFPSA-N 2 2 214.353 1.341 10 0 BDAELP c1cn2c([nH+]1)CC[C@H](Nc1cccc[nH+]1)C2 ZINC000309321354 385532067 /nfs/dbraw/zinc/53/20/67/385532067.db2.gz FGNVIDYRSMJPAD-JTQLQIEISA-N 2 2 214.272 1.705 10 0 BDAELP c1cn2c([nH+]1)CC[C@@H](Nc1cccc[nH+]1)C2 ZINC000309321357 385533018 /nfs/dbraw/zinc/53/30/18/385533018.db2.gz FGNVIDYRSMJPAD-SNVBAGLBSA-N 2 2 214.272 1.705 10 0 BDAELP c1cc(C2CC[NH+](CCn3cc[nH+]c3)CC2)n[nH]1 ZINC000122629737 387569590 /nfs/dbraw/zinc/56/95/90/387569590.db2.gz ZNKQJYKKDIYJJT-UHFFFAOYSA-N 2 2 245.330 1.486 10 0 BDAELP C[C@H](C[NH3+])[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575561961 387702402 /nfs/dbraw/zinc/70/24/02/387702402.db2.gz XPIPDBSWUFUVGA-BBBLOLIVSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H](C[NH3+])[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000575561961 387702407 /nfs/dbraw/zinc/70/24/07/387702407.db2.gz XPIPDBSWUFUVGA-BBBLOLIVSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1 ZINC000245845362 387986533 /nfs/dbraw/zinc/98/65/33/387986533.db2.gz DNZUWGXEAVPVOC-KGLIPLIRSA-N 2 2 248.374 1.442 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1 ZINC000245845362 387986535 /nfs/dbraw/zinc/98/65/35/387986535.db2.gz DNZUWGXEAVPVOC-KGLIPLIRSA-N 2 2 248.374 1.442 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248216883 388675731 /nfs/dbraw/zinc/67/57/31/388675731.db2.gz ZUMZNERZAAGHTC-JHJVBQTASA-N 2 2 228.380 1.730 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248216883 388675733 /nfs/dbraw/zinc/67/57/33/388675733.db2.gz ZUMZNERZAAGHTC-JHJVBQTASA-N 2 2 228.380 1.730 10 0 BDAELP C[C@@H]1C[C@@]2(CC[NH2+]1)[NH2+]CC[C@H](C)S2 ZINC000575512595 389011764 /nfs/dbraw/zinc/01/17/64/389011764.db2.gz RCFVRQYTEYCYGZ-UTLUCORTSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]1CN(c2cc[nH+]c(C[NH3+])c2)C[C@H](C)O1 ZINC000051396182 132359960 /nfs/dbraw/zinc/35/99/60/132359960.db2.gz GGYUQQAUPZJTPO-UWVGGRQHSA-N 2 2 221.304 1.154 10 0 BDAELP CCC[C@H](C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019404294 132324664 /nfs/dbraw/zinc/32/46/64/132324664.db2.gz AGJXZQQMFHGNRH-OAHLLOKOSA-N 2 2 247.386 1.936 10 0 BDAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000252689329 135097148 /nfs/dbraw/zinc/09/71/48/135097148.db2.gz QWDXHNGZDJWCBY-DNIRFERGSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@H]1C ZINC000252689329 135097150 /nfs/dbraw/zinc/09/71/50/135097150.db2.gz QWDXHNGZDJWCBY-DNIRFERGSA-N 2 2 224.348 1.236 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000262964300 135324744 /nfs/dbraw/zinc/32/47/44/135324744.db2.gz LAKYMPCIIAQXNP-ZIAGYGMSSA-N 2 2 234.343 1.533 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000262964300 135324746 /nfs/dbraw/zinc/32/47/46/135324746.db2.gz LAKYMPCIIAQXNP-ZIAGYGMSSA-N 2 2 234.343 1.533 10 0 BDAELP C[NH+](C)[C@H]1CC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000092847370 135585988 /nfs/dbraw/zinc/58/59/88/135585988.db2.gz DNQIADGZMSBQKU-MNOVXSKESA-N 2 2 208.305 1.852 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCC[C@H]1CCO ZINC000042409299 167104038 /nfs/dbraw/zinc/10/40/38/167104038.db2.gz SVYVZPRHTGWDCE-LBPRGKRZSA-N 2 2 214.353 1.221 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCC[C@H]1CCO ZINC000042409299 167104039 /nfs/dbraw/zinc/10/40/39/167104039.db2.gz SVYVZPRHTGWDCE-LBPRGKRZSA-N 2 2 214.353 1.221 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000309403287 167104698 /nfs/dbraw/zinc/10/46/98/167104698.db2.gz WRUVSKXMLZEDTP-UHFFFAOYSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCOCC2(CCC2)C1 ZINC000309403287 167104702 /nfs/dbraw/zinc/10/47/02/167104702.db2.gz WRUVSKXMLZEDTP-UHFFFAOYSA-N 2 2 226.364 1.487 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(CCO)CCCC1 ZINC000660684644 409548044 /nfs/dbraw/zinc/54/80/44/409548044.db2.gz YDYRYISLRGSFRD-LBPRGKRZSA-N 2 2 226.364 1.365 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(CCO)CCCC1 ZINC000660684644 409548050 /nfs/dbraw/zinc/54/80/50/409548050.db2.gz YDYRYISLRGSFRD-LBPRGKRZSA-N 2 2 226.364 1.365 10 0 BDAELP C[C@@H]([NH3+])[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000132887551 409978249 /nfs/dbraw/zinc/97/82/49/409978249.db2.gz ZALPXQFBOCFGQK-SKDRFNHKSA-N 2 2 246.314 1.115 10 0 BDAELP COc1ccc[nH+]c1N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000128325148 410248628 /nfs/dbraw/zinc/24/86/28/410248628.db2.gz JBPQFZCJCBLZGX-GHMZBOCLSA-N 2 2 235.331 1.890 10 0 BDAELP COc1ccc[nH+]c1N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000128325627 410249667 /nfs/dbraw/zinc/24/96/67/410249667.db2.gz JBPQFZCJCBLZGX-MNOVXSKESA-N 2 2 235.331 1.890 10 0 BDAELP C[NH2+]CC1CCN(c2[nH+]cccc2OC)CC1 ZINC000128343375 410258265 /nfs/dbraw/zinc/25/82/65/410258265.db2.gz UDPVWMHIGGFCIO-UHFFFAOYSA-N 2 2 235.331 1.526 10 0 BDAELP CC[C@@H]1CN(c2[nH+]cccc2OC)CC[C@@H]1[NH3+] ZINC000128479905 410762276 /nfs/dbraw/zinc/76/22/76/410762276.db2.gz FGXRXWLZZUQSJG-MNOVXSKESA-N 2 2 235.331 1.654 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C(C)(C)C ZINC000393982937 410773876 /nfs/dbraw/zinc/77/38/76/410773876.db2.gz SVKKEDZTTMPTOH-QWRGUYRKSA-N 2 2 214.353 1.077 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C(C)(C)C ZINC000393982937 410773886 /nfs/dbraw/zinc/77/38/86/410773886.db2.gz SVKKEDZTTMPTOH-QWRGUYRKSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)C[NH2+]C[C@H]1CC[C@H](Cn2cc[nH+]c2)O1 ZINC000052575510 167008663 /nfs/dbraw/zinc/00/86/63/167008663.db2.gz CIJZUAFYHCEXOE-CHWSQXEVSA-N 2 2 237.347 1.676 10 0 BDAELP C[C@H]1C[C@H](O)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000401832470 411170756 /nfs/dbraw/zinc/17/07/56/411170756.db2.gz MUTSUCITRGHWPL-AAEUAGOBSA-N 2 2 237.347 1.055 10 0 BDAELP C[C@H]1C[C@H](O)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000401832470 411170759 /nfs/dbraw/zinc/17/07/59/411170759.db2.gz MUTSUCITRGHWPL-AAEUAGOBSA-N 2 2 237.347 1.055 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658036819 411212479 /nfs/dbraw/zinc/21/24/79/411212479.db2.gz RONVKNQJUJCUHP-NWDGAFQWSA-N 2 2 228.405 1.956 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658036819 411212481 /nfs/dbraw/zinc/21/24/81/411212481.db2.gz RONVKNQJUJCUHP-NWDGAFQWSA-N 2 2 228.405 1.956 10 0 BDAELP COc1ccc[nH+]c1NC[C@@]1(C)CCC[NH2+]C1 ZINC000129373934 411268207 /nfs/dbraw/zinc/26/82/07/411268207.db2.gz ZYIJOYIQAOLJMY-ZDUSSCGKSA-N 2 2 235.331 1.892 10 0 BDAELP Cc1[nH+]cc(C[NH2+]C[C@@H](O)C(C)(C)C)n1C ZINC000657358747 411476010 /nfs/dbraw/zinc/47/60/10/411476010.db2.gz GSXMOSUBJMXZIG-LLVKDONJSA-N 2 2 225.336 1.225 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069797616 170006251 /nfs/dbraw/zinc/00/62/51/170006251.db2.gz IHYHVOPKIDYLEC-OLZOCXBDSA-N 2 2 220.316 1.407 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069797616 170006253 /nfs/dbraw/zinc/00/62/53/170006253.db2.gz IHYHVOPKIDYLEC-OLZOCXBDSA-N 2 2 220.316 1.407 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073653878 170011904 /nfs/dbraw/zinc/01/19/04/170011904.db2.gz UOGVURCHMXHKEW-VXGBXAGGSA-N 2 2 212.337 1.049 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073653878 170011906 /nfs/dbraw/zinc/01/19/06/170011906.db2.gz UOGVURCHMXHKEW-VXGBXAGGSA-N 2 2 212.337 1.049 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000309835930 170038558 /nfs/dbraw/zinc/03/85/58/170038558.db2.gz BBRVPIPVZRUAOV-UHTWSYAYSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000309835930 170038560 /nfs/dbraw/zinc/03/85/60/170038560.db2.gz BBRVPIPVZRUAOV-UHTWSYAYSA-N 2 2 226.364 1.341 10 0 BDAELP CC[NH2+]Cc1ccc(-n2cc[nH+]c2CC)nn1 ZINC000051518072 170126524 /nfs/dbraw/zinc/12/65/24/170126524.db2.gz SSOZUOQRZPKFPD-UHFFFAOYSA-N 2 2 231.303 1.334 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000104198333 170150527 /nfs/dbraw/zinc/15/05/27/170150527.db2.gz OJICJLZBSRJQSM-ZIAGYGMSSA-N 3 2 241.423 1.648 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000104198333 170150529 /nfs/dbraw/zinc/15/05/29/170150529.db2.gz OJICJLZBSRJQSM-ZIAGYGMSSA-N 3 2 241.423 1.648 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 ZINC000061918052 170167087 /nfs/dbraw/zinc/16/70/87/170167087.db2.gz RPSMELOLIBSKBX-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1[N@H+]1CCCOCC1 ZINC000061918052 170167088 /nfs/dbraw/zinc/16/70/88/170167088.db2.gz RPSMELOLIBSKBX-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712446 170168144 /nfs/dbraw/zinc/16/81/44/170168144.db2.gz IBCYUZCVGWLDSN-JSGCOSHPSA-N 2 2 233.359 1.902 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712446 170168145 /nfs/dbraw/zinc/16/81/45/170168145.db2.gz IBCYUZCVGWLDSN-JSGCOSHPSA-N 2 2 233.359 1.902 10 0 BDAELP CCOCCC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000041626599 170380601 /nfs/dbraw/zinc/38/06/01/170380601.db2.gz YUVZXCNAYIKCFH-UHFFFAOYSA-N 2 2 228.380 1.735 10 0 BDAELP CC[C@@H]([NH3+])C[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000141436272 170865613 /nfs/dbraw/zinc/86/56/13/170865613.db2.gz KEWAVIHAPYVGBK-NEPJUHHUSA-N 2 2 236.315 1.185 10 0 BDAELP CC[C@@H]1CC[N@H+](CCc2ccccn2)CC[NH2+]1 ZINC000049662113 171010530 /nfs/dbraw/zinc/01/05/30/171010530.db2.gz RZMVMAVABLLHGZ-CYBMUJFWSA-N 2 2 233.359 1.698 10 0 BDAELP CC[C@@H]1CC[N@@H+](CCc2ccccn2)CC[NH2+]1 ZINC000049662113 171010533 /nfs/dbraw/zinc/01/05/33/171010533.db2.gz RZMVMAVABLLHGZ-CYBMUJFWSA-N 2 2 233.359 1.698 10 0 BDAELP CC[C@@H]1CC[N@H+](CCC[NH+](C)C)CC[C@H](C)[NH2+]1 ZINC000049666094 171011463 /nfs/dbraw/zinc/01/14/63/171011463.db2.gz ITGMPXAKUFLPSA-UONOGXRCSA-N 3 2 241.423 1.791 10 0 BDAELP CC[C@@H]1CC[N@@H+](CCC[NH+](C)C)CC[C@H](C)[NH2+]1 ZINC000049666094 171011464 /nfs/dbraw/zinc/01/14/64/171011464.db2.gz ITGMPXAKUFLPSA-UONOGXRCSA-N 3 2 241.423 1.791 10 0 BDAELP CC[C@@H]1CC[N@H+](Cc2ccnc(OC)c2)CC[NH2+]1 ZINC000062076162 171012507 /nfs/dbraw/zinc/01/25/07/171012507.db2.gz BIPRTQOCYGRRSK-CYBMUJFWSA-N 2 2 249.358 1.664 10 0 BDAELP CC[C@@H]1CC[N@@H+](Cc2ccnc(OC)c2)CC[NH2+]1 ZINC000062076162 171012508 /nfs/dbraw/zinc/01/25/08/171012508.db2.gz BIPRTQOCYGRRSK-CYBMUJFWSA-N 2 2 249.358 1.664 10 0 BDAELP CC[C@@H]1C[N@H+](CC2([NH3+])CCCC2)CCO1 ZINC000037479628 171079197 /nfs/dbraw/zinc/07/91/97/171079197.db2.gz KPNRTVGGDPMBJJ-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP CC[C@@H]1C[N@@H+](CC2([NH3+])CCCC2)CCO1 ZINC000037479628 171079199 /nfs/dbraw/zinc/07/91/99/171079199.db2.gz KPNRTVGGDPMBJJ-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2cc(C[NH3+])co2)CCO1 ZINC000052477233 171089377 /nfs/dbraw/zinc/08/93/77/171089377.db2.gz RNPCZRHKZOWSEK-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2cc(C[NH3+])co2)CCO1 ZINC000052477233 171089379 /nfs/dbraw/zinc/08/93/79/171089379.db2.gz RNPCZRHKZOWSEK-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@H](C)[C@@H](C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461439 171368900 /nfs/dbraw/zinc/36/89/00/171368900.db2.gz TUESHUHMSNFKOQ-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@@H](C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461439 171368902 /nfs/dbraw/zinc/36/89/02/171368902.db2.gz TUESHUHMSNFKOQ-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP C[NH2+]C[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000663278606 412407706 /nfs/dbraw/zinc/40/77/06/412407706.db2.gz KSDSRNJAWPFDGX-VIFPVBQESA-N 2 2 218.304 1.593 10 0 BDAELP CCn1cc(Cn2cc[nH+]c2C[C@@H](C)[NH3+])cn1 ZINC000062802897 172178405 /nfs/dbraw/zinc/17/84/05/172178405.db2.gz SJADIYXNNDHYLA-SNVBAGLBSA-N 2 2 233.319 1.038 10 0 BDAELP C[NH+](C)[C@H](C[NH3+])CCOc1cccc(Cl)c1 ZINC000019663702 172533210 /nfs/dbraw/zinc/53/32/10/172533210.db2.gz MRNXQTJUXSYPTO-NSHDSACASA-N 2 2 242.750 1.998 10 0 BDAELP C[N@H+]1Cc2cccc(Cl)c2[C@H](C[NH3+])C1 ZINC000057496436 173201595 /nfs/dbraw/zinc/20/15/95/173201595.db2.gz MAGSEYSWBIYISI-SECBINFHSA-N 2 2 210.708 1.828 10 0 BDAELP C[N@@H+]1Cc2cccc(Cl)c2[C@H](C[NH3+])C1 ZINC000057496436 173201597 /nfs/dbraw/zinc/20/15/97/173201597.db2.gz MAGSEYSWBIYISI-SECBINFHSA-N 2 2 210.708 1.828 10 0 BDAELP C[NH2+]C1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000053038393 173323448 /nfs/dbraw/zinc/32/34/48/173323448.db2.gz LJXGXGAHZUJHLW-UHFFFAOYSA-N 2 2 208.305 1.772 10 0 BDAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000054627896 173324561 /nfs/dbraw/zinc/32/45/61/173324561.db2.gz XJOQITNBTLGNQE-AGUYFDCRSA-N 3 2 248.374 1.488 10 0 BDAELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000054627896 173324562 /nfs/dbraw/zinc/32/45/62/173324562.db2.gz XJOQITNBTLGNQE-AGUYFDCRSA-N 3 2 248.374 1.488 10 0 BDAELP C[NH2+]CC[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481800 173357839 /nfs/dbraw/zinc/35/78/39/173357839.db2.gz BWAGYKSMCPTGPP-SNVBAGLBSA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]CC[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000052481800 173357841 /nfs/dbraw/zinc/35/78/41/173357841.db2.gz BWAGYKSMCPTGPP-SNVBAGLBSA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000238857278 173378412 /nfs/dbraw/zinc/37/84/12/173378412.db2.gz YOCQJDXLPANCBZ-ZYHUDNBSSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000238857278 173378411 /nfs/dbraw/zinc/37/84/11/173378411.db2.gz YOCQJDXLPANCBZ-ZYHUDNBSSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]Cc1coc(C[N@@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000104131293 173393309 /nfs/dbraw/zinc/39/33/09/173393309.db2.gz ZAGCGLNKESSDHJ-NSHDSACASA-N 2 2 237.347 1.135 10 0 BDAELP C[NH2+]Cc1coc(C[N@H+]2CCN(C)[C@@H](C)C2)c1 ZINC000104131293 173393312 /nfs/dbraw/zinc/39/33/12/173393312.db2.gz ZAGCGLNKESSDHJ-NSHDSACASA-N 2 2 237.347 1.135 10 0 BDAELP C[NH2+]Cc1csc(C[NH+]2CCCCC2)n1 ZINC000045206613 173393928 /nfs/dbraw/zinc/39/39/28/173393928.db2.gz JERLOKGGKCDZBP-UHFFFAOYSA-N 2 2 225.361 1.848 10 0 BDAELP COC1CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000336773445 174020561 /nfs/dbraw/zinc/02/05/61/174020561.db2.gz WDFCKEDWUJVRGS-WTIISPKJSA-N 2 2 226.364 1.482 10 0 BDAELP COC1CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000336773445 174020563 /nfs/dbraw/zinc/02/05/63/174020563.db2.gz WDFCKEDWUJVRGS-WTIISPKJSA-N 2 2 226.364 1.482 10 0 BDAELP COCCC[N@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000062029456 174219838 /nfs/dbraw/zinc/21/98/38/174219838.db2.gz AYNSQOMAZKLVNC-CYBMUJFWSA-N 2 2 240.322 1.794 10 0 BDAELP COCCC[N@@H+](C)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000062029456 174219839 /nfs/dbraw/zinc/21/98/39/174219839.db2.gz AYNSQOMAZKLVNC-CYBMUJFWSA-N 2 2 240.322 1.794 10 0 BDAELP COCC[N@H+](CC[NH3+])Cc1ccccc1C ZINC000032014357 174291588 /nfs/dbraw/zinc/29/15/88/174291588.db2.gz BFNOMJBNBGZTAB-UHFFFAOYSA-N 2 2 222.332 1.402 10 0 BDAELP COCC[N@@H+](CC[NH3+])Cc1ccccc1C ZINC000032014357 174291589 /nfs/dbraw/zinc/29/15/89/174291589.db2.gz BFNOMJBNBGZTAB-UHFFFAOYSA-N 2 2 222.332 1.402 10 0 BDAELP COCC[NH2+][C@@]1(C[NH3+])CCCc2ccccc21 ZINC000053255908 174339088 /nfs/dbraw/zinc/33/90/88/174339088.db2.gz GMSQSINTYIAMDD-CQSZACIVSA-N 2 2 234.343 1.413 10 0 BDAELP COc1cc([C@H]([NH3+])C[NH3+])c(F)cc1Cl ZINC000044471543 175017039 /nfs/dbraw/zinc/01/70/39/175017039.db2.gz XNCPNVIEFLGZFZ-MRVPVSSYSA-N 2 2 218.659 1.446 10 0 BDAELP COc1ccc(C)cc1C[C@H]([NH3+])C[NH+](C)C ZINC000071524601 175077034 /nfs/dbraw/zinc/07/70/34/175077034.db2.gz JREYPEHGRDDRAC-LBPRGKRZSA-N 2 2 222.332 1.435 10 0 BDAELP COc1ccc(C)cc1Cn1c[nH+]c(CC[NH3+])c1 ZINC000071559881 175077116 /nfs/dbraw/zinc/07/71/16/175077116.db2.gz ZTHZEGOPRZAMFX-UHFFFAOYSA-N 2 2 245.326 1.750 10 0 BDAELP COc1ccc(C[C@@H](C[NH3+])[NH+](C)C)cc1OC ZINC000041280499 175115679 /nfs/dbraw/zinc/11/56/79/175115679.db2.gz LECSZLFRDMZZOJ-NSHDSACASA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc(F)cc1CC[N@H+](C)CC[NH3+] ZINC000077340141 175129378 /nfs/dbraw/zinc/12/93/78/175129378.db2.gz LMZYFQDHKFQDPQ-UHFFFAOYSA-N 2 2 226.295 1.267 10 0 BDAELP COc1ccc(F)cc1CC[N@@H+](C)CC[NH3+] ZINC000077340141 175129380 /nfs/dbraw/zinc/12/93/80/175129380.db2.gz LMZYFQDHKFQDPQ-UHFFFAOYSA-N 2 2 226.295 1.267 10 0 BDAELP COc1ccc([C@H](C[NH3+])n2cc[nH+]c2)cc1 ZINC000042962229 175191262 /nfs/dbraw/zinc/19/12/62/175191262.db2.gz YEWVGOVQRDMMCA-LBPRGKRZSA-N 2 2 217.272 1.440 10 0 BDAELP COc1ccc2[nH]c([C@@H](C)C[NH3+])[nH+]c2c1 ZINC000076015053 175202007 /nfs/dbraw/zinc/20/20/07/175202007.db2.gz CEUUEINQYLIBKY-ZETCQYMHSA-N 2 2 205.261 1.634 10 0 BDAELP COc1cccc(Cn2cc[nH+]c2C[C@@H](C)[NH3+])c1 ZINC000062802806 175273696 /nfs/dbraw/zinc/27/36/96/175273696.db2.gz FGPNCHFEXKPOQL-LLVKDONJSA-N 2 2 245.326 1.830 10 0 BDAELP C[C@@H]1CC(C)(C)C[C@](C[NH3+])([NH+]2CCOCC2)C1 ZINC000019435793 176052133 /nfs/dbraw/zinc/05/21/33/176052133.db2.gz YNXXLWSDNICBRK-TZMCWYRMSA-N 2 2 240.391 1.862 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])C[N@@H+]1CC1CCOCC1 ZINC000052174996 176228473 /nfs/dbraw/zinc/22/84/73/176228473.db2.gz SZZJXARLYXYKJQ-PWSUYJOCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1CC1CCOCC1 ZINC000052174996 176228474 /nfs/dbraw/zinc/22/84/74/176228474.db2.gz SZZJXARLYXYKJQ-PWSUYJOCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1C[N@H+](CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000037115975 176294180 /nfs/dbraw/zinc/29/41/80/176294180.db2.gz RDOSZVGGOZMYMY-OCCSQVGLSA-N 2 2 234.343 1.797 10 0 BDAELP C[C@@H]1C[N@@H+](CC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000037115975 176294181 /nfs/dbraw/zinc/29/41/81/176294181.db2.gz RDOSZVGGOZMYMY-OCCSQVGLSA-N 2 2 234.343 1.797 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cc(C[NH3+])co2)[C@H](C)CO1 ZINC000052476574 176301770 /nfs/dbraw/zinc/30/17/70/176301770.db2.gz XMMCSNVZOJKGSK-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cc(C[NH3+])co2)[C@H](C)CO1 ZINC000052476574 176301771 /nfs/dbraw/zinc/30/17/71/176301771.db2.gz XMMCSNVZOJKGSK-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[NH+](Cc2cccnc2C[NH3+])C[C@@H](C)O1 ZINC000061656417 176307272 /nfs/dbraw/zinc/30/72/72/176307272.db2.gz MSGYQKSEBQZVDE-GHMZBOCLSA-N 2 2 235.331 1.150 10 0 BDAELP C[C@@H]1CN(c2cccc[nH+]2)C[C@@]1(C)C[NH3+] ZINC000309037945 176319917 /nfs/dbraw/zinc/31/99/17/176319917.db2.gz HNZFFFUMXWWIJQ-ZYHUDNBSSA-N 2 2 205.305 1.503 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2cccc(F)c2)C1 ZINC000049661831 176325187 /nfs/dbraw/zinc/32/51/87/176325187.db2.gz HVQHRVTXUDYYEV-LLVKDONJSA-N 2 2 222.307 1.867 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000049661831 176325188 /nfs/dbraw/zinc/32/51/88/176325188.db2.gz HVQHRVTXUDYYEV-LLVKDONJSA-N 2 2 222.307 1.867 10 0 BDAELP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309134069 176397661 /nfs/dbraw/zinc/39/76/61/176397661.db2.gz RQYUVELDEMKLJB-OPRDCNLKSA-N 2 2 205.305 1.513 10 0 BDAELP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309134069 176397663 /nfs/dbraw/zinc/39/76/63/176397663.db2.gz RQYUVELDEMKLJB-OPRDCNLKSA-N 2 2 205.305 1.513 10 0 BDAELP C[C@H](c1nccs1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256856 177053722 /nfs/dbraw/zinc/05/37/22/177053722.db2.gz VNCJIMQMOZVXLJ-ZJUUUORDSA-N 2 2 225.361 1.875 10 0 BDAELP C[C@H](c1nccs1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256856 177053725 /nfs/dbraw/zinc/05/37/25/177053725.db2.gz VNCJIMQMOZVXLJ-ZJUUUORDSA-N 2 2 225.361 1.875 10 0 BDAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000032021368 177079164 /nfs/dbraw/zinc/07/91/64/177079164.db2.gz QCVYJDRGTWISDL-AAEUAGOBSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000032021368 177079165 /nfs/dbraw/zinc/07/91/65/177079165.db2.gz QCVYJDRGTWISDL-AAEUAGOBSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H]1CC[C@@H]([NH3+])C[N@@H+]1CCOc1ccccc1 ZINC000044421615 177191477 /nfs/dbraw/zinc/19/14/77/177191477.db2.gz DJNIPRUKTSRZSI-QWHCGFSZSA-N 2 2 234.343 1.877 10 0 BDAELP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1CCOc1ccccc1 ZINC000044421615 177191480 /nfs/dbraw/zinc/19/14/80/177191480.db2.gz DJNIPRUKTSRZSI-QWHCGFSZSA-N 2 2 234.343 1.877 10 0 BDAELP C[C@H]1C[N@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062617283 177252766 /nfs/dbraw/zinc/25/27/66/177252766.db2.gz WFMBFSOINQESFL-ZDUSSCGKSA-N 2 2 234.343 1.749 10 0 BDAELP C[C@H]1C[N@@H+](CCOc2ccccc2)CCC[NH2+]1 ZINC000062617283 177252768 /nfs/dbraw/zinc/25/27/68/177252768.db2.gz WFMBFSOINQESFL-ZDUSSCGKSA-N 2 2 234.343 1.749 10 0 BDAELP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000026515221 177254039 /nfs/dbraw/zinc/25/40/39/177254039.db2.gz KQGUQLJEJBDBSF-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000026515221 177254042 /nfs/dbraw/zinc/25/40/42/177254042.db2.gz KQGUQLJEJBDBSF-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918642 177257240 /nfs/dbraw/zinc/25/72/40/177257240.db2.gz CJNMOVIKFZVJFA-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918642 177257242 /nfs/dbraw/zinc/25/72/42/177257242.db2.gz CJNMOVIKFZVJFA-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1C[N@H+](Cc2csc(C[NH3+])n2)CCCO1 ZINC000061935610 177270499 /nfs/dbraw/zinc/27/04/99/177270499.db2.gz ISMCFDVPNKYTES-VIFPVBQESA-N 2 2 241.360 1.213 10 0 BDAELP C[C@H]1C[N@@H+](Cc2csc(C[NH3+])n2)CCCO1 ZINC000061935610 177270501 /nfs/dbraw/zinc/27/05/01/177270501.db2.gz ISMCFDVPNKYTES-VIFPVBQESA-N 2 2 241.360 1.213 10 0 BDAELP Cc1cc(CO)cc(N2CC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000228449516 487649100 /nfs/dbraw/zinc/64/91/00/487649100.db2.gz SVYLKAFYJFLCKA-LBPRGKRZSA-N 2 2 235.331 1.023 10 0 BDAELP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000314898612 487670293 /nfs/dbraw/zinc/67/02/93/487670293.db2.gz NCYHVXMNLDCDRG-IACUBPJLSA-N 3 2 248.374 1.022 10 0 BDAELP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000314898612 487670295 /nfs/dbraw/zinc/67/02/95/487670295.db2.gz NCYHVXMNLDCDRG-IACUBPJLSA-N 3 2 248.374 1.022 10 0 BDAELP COc1ccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)[nH+]c1 ZINC000234976073 487898518 /nfs/dbraw/zinc/89/85/18/487898518.db2.gz GQLMFIPLTBERCC-WDEREUQCSA-N 2 2 235.331 1.890 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)C1CCC([NH3+])CC1 ZINC000257669239 488077970 /nfs/dbraw/zinc/07/79/70/488077970.db2.gz GMYITFRWTLOAND-UHFFFAOYSA-N 2 2 233.315 1.846 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124961 582500062 /nfs/dbraw/zinc/50/00/62/582500062.db2.gz COTBLQBOZHRQSR-SDDRHHMPSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757124961 582500063 /nfs/dbraw/zinc/50/00/63/582500063.db2.gz COTBLQBOZHRQSR-SDDRHHMPSA-N 2 2 214.328 1.951 10 0 BDAELP CCCC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000252474795 520596517 /nfs/dbraw/zinc/59/65/17/520596517.db2.gz MLYZAFNHNCPFKM-ZIAGYGMSSA-N 2 2 240.391 1.972 10 0 BDAELP CCCC[N@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000252474795 520596522 /nfs/dbraw/zinc/59/65/22/520596522.db2.gz MLYZAFNHNCPFKM-ZIAGYGMSSA-N 2 2 240.391 1.972 10 0 BDAELP CC(C)[C@H](C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000019397459 534991258 /nfs/dbraw/zinc/99/12/58/534991258.db2.gz UMQRJOWTJHIZAU-ZDUSSCGKSA-N 2 2 248.374 1.187 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000220879421 535538595 /nfs/dbraw/zinc/53/85/95/535538595.db2.gz MBFAVROEPIWONI-VOMCLLRMSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000220879421 535538598 /nfs/dbraw/zinc/53/85/98/535538598.db2.gz MBFAVROEPIWONI-VOMCLLRMSA-N 2 2 212.337 1.238 10 0 BDAELP CCc1cc(N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000045950732 536146574 /nfs/dbraw/zinc/14/65/74/536146574.db2.gz KFHRTOCUQCGSJH-UHFFFAOYSA-N 2 2 234.347 1.572 10 0 BDAELP C[N@H+](CC[NH2+]C(C)(C)C)CC1CC(O)C1 ZINC000084452847 536385855 /nfs/dbraw/zinc/38/58/55/536385855.db2.gz CEDSEOPJILCFFF-UHFFFAOYSA-N 2 2 214.353 1.077 10 0 BDAELP C[N@@H+](CC[NH2+]C(C)(C)C)CC1CC(O)C1 ZINC000084452847 536385858 /nfs/dbraw/zinc/38/58/58/536385858.db2.gz CEDSEOPJILCFFF-UHFFFAOYSA-N 2 2 214.353 1.077 10 0 BDAELP C1C[C@@]2(C[NH2+]1)[NH2+]C1(CCCCC1)CCO2 ZINC000757152501 582536853 /nfs/dbraw/zinc/53/68/53/582536853.db2.gz SNYRZLPHZBTQRU-GFCCVEGCSA-N 2 2 210.321 1.389 10 0 BDAELP CC(C)[C@H]1[NH2+][C@@]2(CCC[NH2+]C2)OCC1(C)C ZINC000757153427 582537243 /nfs/dbraw/zinc/53/72/43/582537243.db2.gz VQRREAZVNBFIDO-YPMHNXCESA-N 2 2 226.364 1.737 10 0 BDAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000757155938 582539944 /nfs/dbraw/zinc/53/99/44/582539944.db2.gz JDRQYOSDJRNKNY-BDAKNGLRSA-N 2 2 204.264 1.455 10 0 BDAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC000757155938 582539948 /nfs/dbraw/zinc/53/99/48/582539948.db2.gz JDRQYOSDJRNKNY-BDAKNGLRSA-N 2 2 204.264 1.455 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]CC[C@@H](C)[C@@H]2[NH3+])c1 ZINC000757209841 582560045 /nfs/dbraw/zinc/56/00/45/582560045.db2.gz DBGXRVRFCXUMTL-IIMNLJJBSA-N 2 2 232.327 1.887 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948209 584882992 /nfs/dbraw/zinc/88/29/92/584882992.db2.gz RVHQSAAZNXSOJS-YYJSSNLHSA-N 2 2 212.337 1.094 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948209 584882993 /nfs/dbraw/zinc/88/29/93/584882993.db2.gz RVHQSAAZNXSOJS-YYJSSNLHSA-N 2 2 212.337 1.094 10 0 BDAELP Cc1nn(-c2cc(C)[nH+]c(C)n2)cc1C[NH3+] ZINC000757190328 586435460 /nfs/dbraw/zinc/43/54/60/586435460.db2.gz KEDYOTIZMCIRLU-UHFFFAOYSA-N 2 2 217.276 1.046 10 0 BDAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757213069 586439598 /nfs/dbraw/zinc/43/95/98/586439598.db2.gz KSXGGGSFEFLJLI-SCZZXKLOSA-N 2 2 210.302 1.312 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218246 586441678 /nfs/dbraw/zinc/44/16/78/586441678.db2.gz UQSHEGCIWVNPGJ-OASPWFOLSA-N 3 2 219.332 1.286 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757228620 586442667 /nfs/dbraw/zinc/44/26/67/586442667.db2.gz DFAPWTAFLNKXTF-ADEWGFFLSA-N 2 2 236.363 1.778 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000309918894 633934946 /nfs/dbraw/zinc/93/49/46/633934946.db2.gz QWKZUGXYGBNCKJ-AGVGLQIMSA-N 2 2 232.318 1.960 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000309918894 633934950 /nfs/dbraw/zinc/93/49/50/633934950.db2.gz QWKZUGXYGBNCKJ-AGVGLQIMSA-N 2 2 232.318 1.960 10 0 BDAELP CCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000070902956 643081970 /nfs/dbraw/zinc/08/19/70/643081970.db2.gz MFMKAULXIJFOBV-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000070902956 643081977 /nfs/dbraw/zinc/08/19/77/643081977.db2.gz MFMKAULXIJFOBV-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CCC[N@H+](C[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000070902960 643082511 /nfs/dbraw/zinc/08/25/11/643082511.db2.gz MFMKAULXIJFOBV-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000070902960 643082516 /nfs/dbraw/zinc/08/25/16/643082516.db2.gz MFMKAULXIJFOBV-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1[NH2+][C@@H](c2ccc(C=O)s2)CC[C@H]1[NH3+] ZINC000757211477 643370765 /nfs/dbraw/zinc/37/07/65/643370765.db2.gz HQMAJQIKZJGOFL-FXBDTBDDSA-N 2 2 224.329 1.701 10 0 BDAELP Cc1ccc(OCC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000235636071 711666353 /nfs/dbraw/zinc/66/63/53/711666353.db2.gz DNAJAMASFBJYQI-JSGCOSHPSA-N 2 2 234.343 1.653 10 0 BDAELP Cc1ccc(OCC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000235636071 711666355 /nfs/dbraw/zinc/66/63/55/711666355.db2.gz DNAJAMASFBJYQI-JSGCOSHPSA-N 2 2 234.343 1.653 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000721899621 711812789 /nfs/dbraw/zinc/81/27/89/711812789.db2.gz QOASMIFSHZDGCW-LDYMZIIASA-N 2 2 216.288 1.583 10 0 BDAELP C[C@H]1C[N@H+](Cc2cccc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708892322 712202786 /nfs/dbraw/zinc/20/27/86/712202786.db2.gz ASLGSNFYICNUJZ-UWVGGRQHSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@H]1C[N@@H+](Cc2cccc(Cl)n2)C[C@@H]1C[NH3+] ZINC000708892322 712202787 /nfs/dbraw/zinc/20/27/87/712202787.db2.gz ASLGSNFYICNUJZ-UWVGGRQHSA-N 2 2 239.750 1.762 10 0 BDAELP [NH3+]Cc1nc2c(s1)CCN(c1cccc[nH+]1)C2 ZINC000710209477 712248365 /nfs/dbraw/zinc/24/83/65/712248365.db2.gz QHYZCOZDPBHQTB-UHFFFAOYSA-N 2 2 246.339 1.560 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715425381 712518666 /nfs/dbraw/zinc/51/86/66/712518666.db2.gz KLDDPIBWEADNNC-RWMBFGLXSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715425381 712518667 /nfs/dbraw/zinc/51/86/67/712518667.db2.gz KLDDPIBWEADNNC-RWMBFGLXSA-N 2 2 224.348 1.367 10 0 BDAELP Cc1conc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000720378496 712837225 /nfs/dbraw/zinc/83/72/25/712837225.db2.gz HPFIWZVBAFZRAK-AXFHLTTASA-N 2 2 221.304 1.152 10 0 BDAELP Cc1conc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000720378496 712837227 /nfs/dbraw/zinc/83/72/27/712837227.db2.gz HPFIWZVBAFZRAK-AXFHLTTASA-N 2 2 221.304 1.152 10 0 BDAELP CCc1cc(N(CC[NH2+]C)C(C)C)nc(C)[nH+]1 ZINC000720791630 712865698 /nfs/dbraw/zinc/86/56/98/712865698.db2.gz PTUBTSHTHPNRMN-UHFFFAOYSA-N 2 2 236.363 1.782 10 0 BDAELP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000379924532 398176886 /nfs/dbraw/zinc/17/68/86/398176886.db2.gz KHAQXRUQNVTCGS-WOPDTQHZSA-N 2 2 214.353 1.076 10 0 BDAELP CC[C@H](O)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000379924532 398176887 /nfs/dbraw/zinc/17/68/87/398176887.db2.gz KHAQXRUQNVTCGS-WOPDTQHZSA-N 2 2 214.353 1.076 10 0 BDAELP CC(C)n1cc[nH+]c1CN(C)CCC[NH3+] ZINC000649409985 398209277 /nfs/dbraw/zinc/20/92/77/398209277.db2.gz GAKVKLNJGQVMAY-UHFFFAOYSA-N 2 2 210.325 1.245 10 0 BDAELP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386355540 398264768 /nfs/dbraw/zinc/26/47/68/398264768.db2.gz VFCARUTYYHKXLI-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP C[C@@H]1OCC[C@@]1(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386355540 398264770 /nfs/dbraw/zinc/26/47/70/398264770.db2.gz VFCARUTYYHKXLI-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP [NH3+][C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381611510 398266922 /nfs/dbraw/zinc/26/69/22/398266922.db2.gz ISURXSGUBWHHEO-ZJUUUORDSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+][C@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381611510 398266924 /nfs/dbraw/zinc/26/69/24/398266924.db2.gz ISURXSGUBWHHEO-ZJUUUORDSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc3ccccc3n2)C1 ZINC000616613245 349607583 /nfs/dbraw/zinc/60/75/83/349607583.db2.gz ZTGAPWWRTAKURW-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc3ccccc3n2)C1 ZINC000616613245 349607587 /nfs/dbraw/zinc/60/75/87/349607587.db2.gz ZTGAPWWRTAKURW-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP CNc1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000616613135 349614266 /nfs/dbraw/zinc/61/42/66/349614266.db2.gz YRBLUJROQWBJAS-NSHDSACASA-N 2 2 219.332 1.476 10 0 BDAELP CNc1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616613135 349614269 /nfs/dbraw/zinc/61/42/69/349614269.db2.gz YRBLUJROQWBJAS-NSHDSACASA-N 2 2 219.332 1.476 10 0 BDAELP c1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)n[nH]1 ZINC000188406830 538978488 /nfs/dbraw/zinc/97/84/88/538978488.db2.gz GDMHTRSBKHLZRB-LBPRGKRZSA-N 2 2 231.303 1.271 10 0 BDAELP c1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)n[nH]1 ZINC000188406830 538978490 /nfs/dbraw/zinc/97/84/90/538978490.db2.gz GDMHTRSBKHLZRB-LBPRGKRZSA-N 2 2 231.303 1.271 10 0 BDAELP C[N@@H+]1CCC[C@]2(CC1)[NH2+]CCc1occc12 ZINC000709974860 539027748 /nfs/dbraw/zinc/02/77/48/539027748.db2.gz FYTDNAMVLGKSRS-CYBMUJFWSA-N 2 2 220.316 1.736 10 0 BDAELP C[N@H+]1CCC[C@]2(CC1)[NH2+]CCc1occc12 ZINC000709974860 539027749 /nfs/dbraw/zinc/02/77/49/539027749.db2.gz FYTDNAMVLGKSRS-CYBMUJFWSA-N 2 2 220.316 1.736 10 0 BDAELP CC[C@@](C)(O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000233962784 342914802 /nfs/dbraw/zinc/91/48/02/342914802.db2.gz NPUCQEUOUWCHHA-CQSZACIVSA-N 2 2 236.359 1.608 10 0 BDAELP CC[C@@](C)(O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000233962784 342914804 /nfs/dbraw/zinc/91/48/04/342914804.db2.gz NPUCQEUOUWCHHA-CQSZACIVSA-N 2 2 236.359 1.608 10 0 BDAELP C[C@H]([NH3+])[C@H](c1ccsc1)n1cc[nH+]c1 ZINC000043124108 342928704 /nfs/dbraw/zinc/92/87/04/342928704.db2.gz QGTOEWALWLJAQS-WCBMZHEXSA-N 2 2 207.302 1.881 10 0 BDAELP CCSCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000308550286 346883017 /nfs/dbraw/zinc/88/30/17/346883017.db2.gz XFLDXOBCRVUNQY-GHMZBOCLSA-N 2 2 216.394 1.669 10 0 BDAELP CCSCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000308550286 346883021 /nfs/dbraw/zinc/88/30/21/346883021.db2.gz XFLDXOBCRVUNQY-GHMZBOCLSA-N 2 2 216.394 1.669 10 0 BDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000305984396 259337307 /nfs/dbraw/zinc/33/73/07/259337307.db2.gz GAKAMPWGHNRZSY-STQMWFEESA-N 2 2 244.423 1.959 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](C2CC(C(F)F)C2)C1 ZINC000306668238 362024947 /nfs/dbraw/zinc/02/49/47/362024947.db2.gz KFPWCEONHVKIGC-QJAFJHJLSA-N 2 2 204.264 1.453 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](C2CC(C(F)F)C2)C1 ZINC000306668238 362024949 /nfs/dbraw/zinc/02/49/49/362024949.db2.gz KFPWCEONHVKIGC-QJAFJHJLSA-N 2 2 204.264 1.453 10 0 BDAELP C[C@H](C[NH+]1CCCCC1)[NH2+]CC(C)(C)O ZINC000049501471 343110622 /nfs/dbraw/zinc/11/06/22/343110622.db2.gz BUDHUZVTDWKRII-LLVKDONJSA-N 2 2 214.353 1.221 10 0 BDAELP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393077 529689443 /nfs/dbraw/zinc/68/94/43/529689443.db2.gz NTKNEXPYMQGAAT-RWMBFGLXSA-N 3 2 227.396 1.304 10 0 BDAELP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400393077 529689445 /nfs/dbraw/zinc/68/94/45/529689445.db2.gz NTKNEXPYMQGAAT-RWMBFGLXSA-N 3 2 227.396 1.304 10 0 BDAELP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400393073 529690011 /nfs/dbraw/zinc/69/00/11/529690011.db2.gz NTKNEXPYMQGAAT-AVGNSLFASA-N 3 2 227.396 1.304 10 0 BDAELP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400393073 529690012 /nfs/dbraw/zinc/69/00/12/529690012.db2.gz NTKNEXPYMQGAAT-AVGNSLFASA-N 3 2 227.396 1.304 10 0 BDAELP CC(C)n1cc[nH+]c1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000641052162 362161461 /nfs/dbraw/zinc/16/14/61/362161461.db2.gz UTYNVOLXMHRZHI-UHFFFAOYSA-N 2 2 248.334 1.298 10 0 BDAELP C[C@H](C[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000070609148 343334327 /nfs/dbraw/zinc/33/43/27/343334327.db2.gz FQWBMVNECFNVHH-MRVPVSSYSA-N 2 2 204.277 1.332 10 0 BDAELP CC[C@](C)(O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC000234087159 343335561 /nfs/dbraw/zinc/33/55/61/343335561.db2.gz NPUCQEUOUWCHHA-AWEZNQCLSA-N 2 2 236.359 1.608 10 0 BDAELP CC[C@](C)(O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000234087159 343335564 /nfs/dbraw/zinc/33/55/64/343335564.db2.gz NPUCQEUOUWCHHA-AWEZNQCLSA-N 2 2 236.359 1.608 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cnoc2)C1 ZINC000616627538 343525879 /nfs/dbraw/zinc/52/58/79/343525879.db2.gz KIFVKEIGZYNZPA-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cnoc2)C1 ZINC000616627538 343525880 /nfs/dbraw/zinc/52/58/80/343525880.db2.gz KIFVKEIGZYNZPA-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]C[C@@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000108319929 343786160 /nfs/dbraw/zinc/78/61/60/343786160.db2.gz WQBXDWCSXGTIBZ-LBPRGKRZSA-N 2 2 208.280 1.559 10 0 BDAELP [NH3+]C[C@@]1(F)CC[N@@H+](Cc2ccccc2)C1 ZINC000108319929 343786161 /nfs/dbraw/zinc/78/61/61/343786161.db2.gz WQBXDWCSXGTIBZ-LBPRGKRZSA-N 2 2 208.280 1.559 10 0 BDAELP Cc1nc(N2CC[NH2+]CC2)cc(C(C)(C)C)[nH+]1 ZINC000409430090 343807600 /nfs/dbraw/zinc/80/76/00/343807600.db2.gz KVOKAIVWAWKWGF-UHFFFAOYSA-N 2 2 234.347 1.492 10 0 BDAELP C[NH+](C)CSCCSC[NH+](C)C ZINC000210914340 343938751 /nfs/dbraw/zinc/93/87/51/343938751.db2.gz HOVOCBXUJMPZTM-UHFFFAOYSA-N 2 2 208.396 1.491 10 0 BDAELP C[C@H]1SCC[N@@H+](C2(C[NH3+])CC2)[C@@H]1C ZINC000235686858 344045396 /nfs/dbraw/zinc/04/53/96/344045396.db2.gz NGRUAXCRKSMJOL-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1SCC[N@H+](C2(C[NH3+])CC2)[C@@H]1C ZINC000235686858 344045400 /nfs/dbraw/zinc/04/54/00/344045400.db2.gz NGRUAXCRKSMJOL-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@]1(C[NH+]2CCSCC2)CCCC[NH2+]1 ZINC000127331737 344141361 /nfs/dbraw/zinc/14/13/61/344141361.db2.gz OJQJKUYXDZPNGJ-LLVKDONJSA-N 2 2 214.378 1.567 10 0 BDAELP CCSCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600886926 344386188 /nfs/dbraw/zinc/38/61/88/344386188.db2.gz UPXORAGGYDOBHP-MNOVXSKESA-N 2 2 232.393 1.178 10 0 BDAELP CCSCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000600886926 344386190 /nfs/dbraw/zinc/38/61/90/344386190.db2.gz UPXORAGGYDOBHP-MNOVXSKESA-N 2 2 232.393 1.178 10 0 BDAELP Cc1[nH]c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)[nH+]c1C ZINC000628176161 344900920 /nfs/dbraw/zinc/90/09/20/344900920.db2.gz YNXBOFOLVJRIJF-GXFFZTMASA-N 2 2 248.374 1.695 10 0 BDAELP Cc1[nH]c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)[nH+]c1C ZINC000628176161 344900924 /nfs/dbraw/zinc/90/09/24/344900924.db2.gz YNXBOFOLVJRIJF-GXFFZTMASA-N 2 2 248.374 1.695 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc2ccccc2nc1Cl ZINC000044471994 345090275 /nfs/dbraw/zinc/09/02/75/345090275.db2.gz ONRWPYBBYRHTEY-VIFPVBQESA-N 2 2 221.691 1.847 10 0 BDAELP C[C@H]1C[N@H+](Cc2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000634998224 345198237 /nfs/dbraw/zinc/19/82/37/345198237.db2.gz CIKBCJCBMIWCPY-IUCAKERBSA-N 2 2 242.754 1.100 10 0 BDAELP C[C@H]1C[N@@H+](Cc2c(Cl)cnn2C)C[C@@H]1C[NH3+] ZINC000634998224 345198239 /nfs/dbraw/zinc/19/82/39/345198239.db2.gz CIKBCJCBMIWCPY-IUCAKERBSA-N 2 2 242.754 1.100 10 0 BDAELP Cc1ccc([C@@H]([NH3+])CC[NH+]2CCOCC2)cc1 ZINC000020273919 178857525 /nfs/dbraw/zinc/85/75/25/178857525.db2.gz JCRZUWPXLQNFJI-AWEZNQCLSA-N 2 2 234.343 1.717 10 0 BDAELP CC(C)c1nc(N2CCC[C@H]2C[NH3+])cc[nH+]1 ZINC000212411540 345733643 /nfs/dbraw/zinc/73/36/43/345733643.db2.gz LUPKKMGAZBQMFL-JTQLQIEISA-N 2 2 220.320 1.528 10 0 BDAELP C[C@@H]1CCc2[nH+]c(C3CC[NH2+]CC3)cn2C1 ZINC000258046403 345780098 /nfs/dbraw/zinc/78/00/98/345780098.db2.gz AHEJVHBNDWFIDU-SNVBAGLBSA-N 2 2 219.332 1.932 10 0 BDAELP Cn1c[nH+]cc1-c1cc(C[NH3+])ccc1N ZINC000669379780 537982610 /nfs/dbraw/zinc/98/26/10/537982610.db2.gz COSIUJSIIMPWJB-UHFFFAOYSA-N 2 2 202.261 1.128 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCS2)C1 ZINC000250697241 362816864 /nfs/dbraw/zinc/81/68/64/362816864.db2.gz BTJANXBKQUESSY-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCS2)C1 ZINC000250697241 362816869 /nfs/dbraw/zinc/81/68/69/362816869.db2.gz BTJANXBKQUESSY-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000250781216 362821570 /nfs/dbraw/zinc/82/15/70/362821570.db2.gz XYJOZXAYBIBOIM-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000250781216 362821573 /nfs/dbraw/zinc/82/15/73/362821573.db2.gz XYJOZXAYBIBOIM-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP Cc1ccccc1[C@H]([NH3+])Cn1cc[nH+]c1 ZINC000023069750 179343178 /nfs/dbraw/zinc/34/31/78/179343178.db2.gz JQSJKFJXMGWABY-GFCCVEGCSA-N 2 2 201.273 1.892 10 0 BDAELP C[C@]([NH3+])(C[NH+]1CCSCC1)C1CC1 ZINC000037479193 348617608 /nfs/dbraw/zinc/61/76/08/348617608.db2.gz BZYGYLFKNILZQC-JTQLQIEISA-N 2 2 200.351 1.163 10 0 BDAELP FC1(C[N@@H+]2CCC[NH2+]CC2)CCCCC1 ZINC000616580841 349259687 /nfs/dbraw/zinc/25/96/87/349259687.db2.gz VGTOWYBUHYFFDM-UHFFFAOYSA-N 2 2 214.328 1.954 10 0 BDAELP FC1(C[N@H+]2CCC[NH2+]CC2)CCCCC1 ZINC000616580841 349259689 /nfs/dbraw/zinc/25/96/89/349259689.db2.gz VGTOWYBUHYFFDM-UHFFFAOYSA-N 2 2 214.328 1.954 10 0 BDAELP CC(C)(C)[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000302371368 350083838 /nfs/dbraw/zinc/08/38/38/350083838.db2.gz KWXPAOSNFLZDMK-LBPRGKRZSA-N 2 2 239.363 1.660 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000328510372 490297555 /nfs/dbraw/zinc/29/75/55/490297555.db2.gz NKJVUIPSCYPIMT-YNEHKIRRSA-N 2 2 226.364 1.364 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000328510372 490297560 /nfs/dbraw/zinc/29/75/60/490297560.db2.gz NKJVUIPSCYPIMT-YNEHKIRRSA-N 2 2 226.364 1.364 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000226393794 350426771 /nfs/dbraw/zinc/42/67/71/350426771.db2.gz LIROYOBWLHVZQW-VHSXEESVSA-N 2 2 232.418 1.258 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000226393794 350426775 /nfs/dbraw/zinc/42/67/75/350426775.db2.gz LIROYOBWLHVZQW-VHSXEESVSA-N 2 2 232.418 1.258 10 0 BDAELP CC[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000219538259 490573041 /nfs/dbraw/zinc/57/30/41/490573041.db2.gz XOJOFQFACWKUOL-KGLIPLIRSA-N 2 2 238.375 1.653 10 0 BDAELP CC[N@H+]1CCO[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000219538259 490573044 /nfs/dbraw/zinc/57/30/44/490573044.db2.gz XOJOFQFACWKUOL-KGLIPLIRSA-N 2 2 238.375 1.653 10 0 BDAELP CNc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000616607817 350802123 /nfs/dbraw/zinc/80/21/23/350802123.db2.gz NABKPZDANSYLCG-ZDUSSCGKSA-N 2 2 219.332 1.824 10 0 BDAELP CNc1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000616607817 350802127 /nfs/dbraw/zinc/80/21/27/350802127.db2.gz NABKPZDANSYLCG-ZDUSSCGKSA-N 2 2 219.332 1.824 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc(CO)cc1 ZINC000616608244 350803858 /nfs/dbraw/zinc/80/38/58/350803858.db2.gz NOGCUQVRYNFLCX-CYBMUJFWSA-N 2 2 220.316 1.275 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc(CO)cc1 ZINC000616608244 350803859 /nfs/dbraw/zinc/80/38/59/350803859.db2.gz NOGCUQVRYNFLCX-CYBMUJFWSA-N 2 2 220.316 1.275 10 0 BDAELP CC[C@@H]1CS[C@]2(CC[C@@H](C)[NH2+]C2)[NH2+]1 ZINC000306685805 350842623 /nfs/dbraw/zinc/84/26/23/350842623.db2.gz JJBMLSWYZUWZGY-BBBLOLIVSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]1[C@H]([NH2+]C2CSC2)CCC[N@@H+]1C ZINC000306700398 350848668 /nfs/dbraw/zinc/84/86/68/350848668.db2.gz FPTAKRDUFMPEQP-WCBMZHEXSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@H]1[C@H]([NH2+]C2CSC2)CCC[N@H+]1C ZINC000306700398 350848670 /nfs/dbraw/zinc/84/86/70/350848670.db2.gz FPTAKRDUFMPEQP-WCBMZHEXSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@H]1CC[C@@]1(C[NH3+])[NH+]1CCSCC1 ZINC000306704344 350851903 /nfs/dbraw/zinc/85/19/03/350851903.db2.gz DVCIGJOCNLQLNT-UWVGGRQHSA-N 2 2 200.351 1.163 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616616732 350856132 /nfs/dbraw/zinc/85/61/32/350856132.db2.gz VUSSPNHPCFMXMP-AWEZNQCLSA-N 2 2 234.343 1.665 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616616732 350856134 /nfs/dbraw/zinc/85/61/34/350856134.db2.gz VUSSPNHPCFMXMP-AWEZNQCLSA-N 2 2 234.343 1.665 10 0 BDAELP Cc1[nH+]cc(-c2csc(C[NH3+])c2)n1C ZINC000306739060 350911816 /nfs/dbraw/zinc/91/18/16/350911816.db2.gz BFYJYNULPLBYRG-UHFFFAOYSA-N 2 2 207.302 1.916 10 0 BDAELP CNc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616620589 350944314 /nfs/dbraw/zinc/94/43/14/350944314.db2.gz ITMUXTPDADHPHP-LBPRGKRZSA-N 2 2 233.359 1.866 10 0 BDAELP CNc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616620589 350944317 /nfs/dbraw/zinc/94/43/17/350944317.db2.gz ITMUXTPDADHPHP-LBPRGKRZSA-N 2 2 233.359 1.866 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccc2CO)C1 ZINC000616621084 350948692 /nfs/dbraw/zinc/94/86/92/350948692.db2.gz OQRBXFGOARLRJJ-GFCCVEGCSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccc2CO)C1 ZINC000616621084 350948696 /nfs/dbraw/zinc/94/86/96/350948696.db2.gz OQRBXFGOARLRJJ-GFCCVEGCSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccon2)C1 ZINC000616631181 351104281 /nfs/dbraw/zinc/10/42/81/351104281.db2.gz XVAJYLNVWABZNG-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccon2)C1 ZINC000616631181 351104285 /nfs/dbraw/zinc/10/42/85/351104285.db2.gz XVAJYLNVWABZNG-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccnnc1 ZINC000616624871 351092894 /nfs/dbraw/zinc/09/28/94/351092894.db2.gz IEULONMJXTVAFE-LBPRGKRZSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccnnc1 ZINC000616624871 351092897 /nfs/dbraw/zinc/09/28/97/351092897.db2.gz IEULONMJXTVAFE-LBPRGKRZSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]C[C@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616659285 351207447 /nfs/dbraw/zinc/20/74/47/351207447.db2.gz PAIINOBFQWGEJS-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]C[C@H]1CCOCC[N@H+]1Cc1ccccc1 ZINC000616659285 351207449 /nfs/dbraw/zinc/20/74/49/351207449.db2.gz PAIINOBFQWGEJS-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]CCc1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC000034939123 351354679 /nfs/dbraw/zinc/35/46/79/351354679.db2.gz ZCQAZGWDBWSJSL-UHFFFAOYSA-N 2 2 233.271 1.225 10 0 BDAELP C[C@@H]1CSC(NCc2c[nH+]cn2C)=[NH+]1 ZINC000307027234 351435483 /nfs/dbraw/zinc/43/54/83/351435483.db2.gz ZPJWHSTZVUUVGQ-SSDOTTSWSA-N 2 2 210.306 1.001 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CSC1(C)C ZINC000307163142 351528626 /nfs/dbraw/zinc/52/86/26/351528626.db2.gz LONOGMCKXVCWFC-UWVGGRQHSA-N 2 2 214.378 1.564 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CSC1(C)C ZINC000307163142 351528632 /nfs/dbraw/zinc/52/86/32/351528632.db2.gz LONOGMCKXVCWFC-UWVGGRQHSA-N 2 2 214.378 1.564 10 0 BDAELP COc1cc(C)ccc1OC[C@@H](C[NH3+])[NH+](C)C ZINC000020400128 188108709 /nfs/dbraw/zinc/10/87/09/188108709.db2.gz XNYGPRKYEULMQI-LLVKDONJSA-N 2 2 238.331 1.271 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[NH+]1CCOCC1 ZINC000019438798 188172063 /nfs/dbraw/zinc/17/20/63/188172063.db2.gz OANYWVXDBLQPAS-NSHDSACASA-N 2 2 200.326 1.082 10 0 BDAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C1CC1)C2 ZINC000165283386 353279963 /nfs/dbraw/zinc/27/99/63/353279963.db2.gz RQBHOOBQDGFPQT-ZYHUDNBSSA-N 2 2 219.332 1.894 10 0 BDAELP CC[C@](C)(C[NH3+])[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223190325 353343611 /nfs/dbraw/zinc/34/36/11/353343611.db2.gz XFRVCCYHDIGNSV-HBNTYKKESA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)(C[NH3+])[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223190325 353343615 /nfs/dbraw/zinc/34/36/15/353343615.db2.gz XFRVCCYHDIGNSV-HBNTYKKESA-N 2 2 200.326 1.223 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223222838 353368112 /nfs/dbraw/zinc/36/81/12/353368112.db2.gz DHVNHEYXIXLLNA-HBNTYKKESA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223222838 353368114 /nfs/dbraw/zinc/36/81/14/353368114.db2.gz DHVNHEYXIXLLNA-HBNTYKKESA-N 2 2 200.326 1.079 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@@H+]1C ZINC000129593747 353742592 /nfs/dbraw/zinc/74/25/92/353742592.db2.gz GKRKYGYATPRCTO-WCQYABFASA-N 2 2 204.317 1.869 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@H+]1C ZINC000129593747 353742594 /nfs/dbraw/zinc/74/25/94/353742594.db2.gz GKRKYGYATPRCTO-WCQYABFASA-N 2 2 204.317 1.869 10 0 BDAELP Cc1ccccc1C[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000384293520 356558640 /nfs/dbraw/zinc/55/86/40/356558640.db2.gz DWBOLCCXDXNXQQ-OAHLLOKOSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000384293520 356558644 /nfs/dbraw/zinc/55/86/44/356558644.db2.gz DWBOLCCXDXNXQQ-OAHLLOKOSA-N 2 2 248.370 1.541 10 0 BDAELP COc1ccc[nH+]c1N1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000630093372 363526857 /nfs/dbraw/zinc/52/68/57/363526857.db2.gz NKJNJSUJAROGEC-UWVGGRQHSA-N 2 2 221.304 1.121 10 0 BDAELP COc1ccc[nH+]c1N1C[C@H](C)[C@H](C[NH3+])C1 ZINC000630093374 363527084 /nfs/dbraw/zinc/52/70/84/363527084.db2.gz NKJNJSUJAROGEC-VHSXEESVSA-N 2 2 221.304 1.121 10 0 BDAELP [NH3+][C@H]1C=C(c2ccc(F)cc2F)C[NH2+]C1 ZINC000675078349 538515131 /nfs/dbraw/zinc/51/51/31/538515131.db2.gz OWVQDNNJBJYPPL-VIFPVBQESA-N 2 2 210.227 1.279 10 0 BDAELP [NH3+][C@@H]1C=C(c2cnc(C3CC3)s2)C[NH2+]C1 ZINC000675077870 538515638 /nfs/dbraw/zinc/51/56/38/538515638.db2.gz JNDWCKWSSDQASX-SECBINFHSA-N 2 2 221.329 1.334 10 0 BDAELP [NH3+][C@H]1C=C(c2cscc2C(F)F)C[NH2+]C1 ZINC000675078806 538516575 /nfs/dbraw/zinc/51/65/75/538516575.db2.gz SXQYWWMAJVYJTK-ZETCQYMHSA-N 2 2 230.283 2.000 10 0 BDAELP Cc1cccc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1C ZINC000675077391 538512219 /nfs/dbraw/zinc/51/22/19/538512219.db2.gz DFCUUBWFTOZBTF-GFCCVEGCSA-N 2 2 202.301 1.617 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@@H+]1C ZINC000130074141 357177510 /nfs/dbraw/zinc/17/75/10/357177510.db2.gz VNXXBSCOBQSFPZ-GXSJLCMTSA-N 2 2 210.346 1.930 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@H+]1C ZINC000130074141 357177513 /nfs/dbraw/zinc/17/75/13/357177513.db2.gz VNXXBSCOBQSFPZ-GXSJLCMTSA-N 2 2 210.346 1.930 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C[C@H]2F)[C@@H]1C ZINC000685948578 538891395 /nfs/dbraw/zinc/89/13/95/538891395.db2.gz QNQSHILBZRIYJG-DDHJBXDOSA-N 2 2 214.328 1.807 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C[C@H]2F)[C@@H]1C ZINC000685948578 538891397 /nfs/dbraw/zinc/89/13/97/538891397.db2.gz QNQSHILBZRIYJG-DDHJBXDOSA-N 2 2 214.328 1.807 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000233484135 357725278 /nfs/dbraw/zinc/72/52/78/357725278.db2.gz JCGDPHAHTGFRBZ-CPCZMJQVSA-N 2 2 226.364 1.364 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000233484135 357725280 /nfs/dbraw/zinc/72/52/80/357725280.db2.gz JCGDPHAHTGFRBZ-CPCZMJQVSA-N 2 2 226.364 1.364 10 0 BDAELP C[NH2+][C@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000252686629 366430986 /nfs/dbraw/zinc/43/09/86/366430986.db2.gz JZLYMSUJPFJOQW-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000252686629 366430990 /nfs/dbraw/zinc/43/09/90/366430990.db2.gz JZLYMSUJPFJOQW-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP c1cc(C[NH2+]CCc2c[nH+]c[nH]2)cs1 ZINC000045946397 358568134 /nfs/dbraw/zinc/56/81/34/358568134.db2.gz PECJPXDFUDESCF-UHFFFAOYSA-N 2 2 207.302 1.804 10 0 BDAELP c1cc(C[NH2+]CCc2c[nH]c[nH+]2)cs1 ZINC000045946397 358568135 /nfs/dbraw/zinc/56/81/35/358568135.db2.gz PECJPXDFUDESCF-UHFFFAOYSA-N 2 2 207.302 1.804 10 0 BDAELP C[C@@H]1SCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000300358847 358971818 /nfs/dbraw/zinc/97/18/18/358971818.db2.gz BTGXVPCMGZRSQM-AXFHLTTASA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1SCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000300358847 358971822 /nfs/dbraw/zinc/97/18/22/358971822.db2.gz BTGXVPCMGZRSQM-AXFHLTTASA-N 2 2 214.378 1.564 10 0 BDAELP C[N@H+](CCOCc1ccccc1)C[C@@H]1CC[NH2+]1 ZINC000306522075 360355995 /nfs/dbraw/zinc/35/59/95/360355995.db2.gz OQPJNKQXRIEHBR-AWEZNQCLSA-N 2 2 234.343 1.497 10 0 BDAELP C[N@@H+](CCOCc1ccccc1)C[C@@H]1CC[NH2+]1 ZINC000306522075 360356000 /nfs/dbraw/zinc/35/60/00/360356000.db2.gz OQPJNKQXRIEHBR-AWEZNQCLSA-N 2 2 234.343 1.497 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC000069760978 360409228 /nfs/dbraw/zinc/40/92/28/360409228.db2.gz RUYPIHXIHKVZLY-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1CSCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC000069760978 360409231 /nfs/dbraw/zinc/40/92/31/360409231.db2.gz RUYPIHXIHKVZLY-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1CC[NH2+][C@](C)([C@H]2CC[NH2+]C2)S1 ZINC000306578122 360467822 /nfs/dbraw/zinc/46/78/22/360467822.db2.gz LVYDCKGVRZJPIS-UTLUCORTSA-N 2 2 200.351 1.427 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ncccc2C)[C@@](C)(C[NH3+])C1 ZINC000630367416 364084289 /nfs/dbraw/zinc/08/42/89/364084289.db2.gz OJNKWHAYSJEYFB-TZMCWYRMSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ncccc2C)[C@@](C)(C[NH3+])C1 ZINC000630367416 364084294 /nfs/dbraw/zinc/08/42/94/364084294.db2.gz OJNKWHAYSJEYFB-TZMCWYRMSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccc(C)cc2)[C@](C)(C[NH3+])C1 ZINC000630361483 364081347 /nfs/dbraw/zinc/08/13/47/364081347.db2.gz MHYGUMIHIJZWLZ-CABCVRRESA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccc(C)cc2)[C@](C)(C[NH3+])C1 ZINC000630361483 364081351 /nfs/dbraw/zinc/08/13/51/364081351.db2.gz MHYGUMIHIJZWLZ-CABCVRRESA-N 2 2 248.370 1.933 10 0 BDAELP C[C@@H]1CC[C@H](Nc2[nH+]c3ccccc3n2C)C[NH2+]1 ZINC000630533044 364223255 /nfs/dbraw/zinc/22/32/55/364223255.db2.gz NBPUYLFJHLTTFP-MNOVXSKESA-N 2 2 244.342 1.548 10 0 BDAELP Cc1cc(N[C@H]2CC[C@H](C)[NH2+]C2)nc[nH+]1 ZINC000630533805 364226080 /nfs/dbraw/zinc/22/60/80/364226080.db2.gz RMQADUKMCFGPEL-WPRPVWTQSA-N 2 2 206.293 1.337 10 0 BDAELP [NH3+]CC1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000044514624 181365585 /nfs/dbraw/zinc/36/55/85/181365585.db2.gz XCZULUZCMWPGHC-UHFFFAOYSA-N 2 2 230.315 1.738 10 0 BDAELP Cc1ccc(F)c(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675079456 541392006 /nfs/dbraw/zinc/39/20/06/541392006.db2.gz YYOHORWUFMSYSM-SNVBAGLBSA-N 2 2 206.264 1.448 10 0 BDAELP [NH3+]CC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062707821 181396512 /nfs/dbraw/zinc/39/65/12/181396512.db2.gz CKEATJDWGSSGBO-UHFFFAOYSA-N 2 2 204.195 1.152 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000576044406 365460848 /nfs/dbraw/zinc/46/08/48/365460848.db2.gz SGBPNIYXXACTFP-ZMLRMANQSA-N 2 2 235.331 1.406 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000576044406 365460853 /nfs/dbraw/zinc/46/08/53/365460853.db2.gz SGBPNIYXXACTFP-ZMLRMANQSA-N 2 2 235.331 1.406 10 0 BDAELP Cc1nc(NCCC[NH2+]C(C)C)cc[nH+]1 ZINC000579814801 367017824 /nfs/dbraw/zinc/01/78/24/367017824.db2.gz MZBFJUJTTRLGAP-UHFFFAOYSA-N 2 2 208.309 1.007 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC1(O)CCC1 ZINC000579943457 367094002 /nfs/dbraw/zinc/09/40/02/367094002.db2.gz LKNJHBNNDFTMMS-GFCCVEGCSA-N 2 2 228.380 1.467 10 0 BDAELP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000384019322 367667869 /nfs/dbraw/zinc/66/78/69/367667869.db2.gz RGTFAFJYDWGFFC-BDAKNGLRSA-N 2 2 224.308 1.149 10 0 BDAELP CC[C@H]1[C@H](C)CC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000384019322 367667874 /nfs/dbraw/zinc/66/78/74/367667874.db2.gz RGTFAFJYDWGFFC-BDAKNGLRSA-N 2 2 224.308 1.149 10 0 BDAELP C[C@H]1C[N@H+](C[C@H]2CSCC[NH2+]2)CCS1 ZINC000252982792 368178708 /nfs/dbraw/zinc/17/87/08/368178708.db2.gz YAHFPBPVFDNRRC-UWVGGRQHSA-N 2 2 232.418 1.129 10 0 BDAELP C[C@H]1C[N@@H+](C[C@H]2CSCC[NH2+]2)CCS1 ZINC000252982792 368178715 /nfs/dbraw/zinc/17/87/15/368178715.db2.gz YAHFPBPVFDNRRC-UWVGGRQHSA-N 2 2 232.418 1.129 10 0 BDAELP CC[C@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000253061588 368446034 /nfs/dbraw/zinc/44/60/34/368446034.db2.gz FDOWAJGTBFFAIM-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@H]1C[N@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000253061588 368446039 /nfs/dbraw/zinc/44/60/39/368446039.db2.gz FDOWAJGTBFFAIM-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC1(O)CCCC1 ZINC000087459895 368893814 /nfs/dbraw/zinc/89/38/14/368893814.db2.gz VXRVUHUVSUQAOU-CYBMUJFWSA-N 2 2 242.407 1.857 10 0 BDAELP CC(C)(C)[C@@H]1COCCC[N@@H+]1CC[NH3+] ZINC000616596917 369099931 /nfs/dbraw/zinc/09/99/31/369099931.db2.gz KOTGCGVCZAAUCN-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@@H]1COCCC[N@H+]1CC[NH3+] ZINC000616596917 369099935 /nfs/dbraw/zinc/09/99/35/369099935.db2.gz KOTGCGVCZAAUCN-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP CC[C@@H]1CS[C@]2(C[NH2+]C[C@H](C)C2)[NH2+]1 ZINC000401709556 371801875 /nfs/dbraw/zinc/80/18/75/371801875.db2.gz UUZPWTRIOYYPHQ-OPRDCNLKSA-N 2 2 200.351 1.427 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@@H]([NH3+])C[C@H]1C ZINC000631860780 372660541 /nfs/dbraw/zinc/66/05/41/372660541.db2.gz OYMAQGCXUPCANP-MNOVXSKESA-N 2 2 222.336 1.386 10 0 BDAELP Cc1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000631838846 372633782 /nfs/dbraw/zinc/63/37/82/372633782.db2.gz WCNDVOCWRVKTLT-WCBMZHEXSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)o1 ZINC000631838846 372633790 /nfs/dbraw/zinc/63/37/90/372633790.db2.gz WCNDVOCWRVKTLT-WCBMZHEXSA-N 2 2 209.293 1.010 10 0 BDAELP O[C@@H]1CCCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575085 183188493 /nfs/dbraw/zinc/18/84/93/183188493.db2.gz MWVJBBIPPPNWED-UONOGXRCSA-N 2 2 240.391 1.756 10 0 BDAELP O[C@H]1CCC[C@H]1C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942170 183237088 /nfs/dbraw/zinc/23/70/88/183237088.db2.gz QUICEFGTZGPJLX-MJBXVCDLSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@H]1CCC[C@H]1C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942170 183237089 /nfs/dbraw/zinc/23/70/89/183237089.db2.gz QUICEFGTZGPJLX-MJBXVCDLSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@H]1CCC[C@H]1C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942170 183237091 /nfs/dbraw/zinc/23/70/91/183237091.db2.gz QUICEFGTZGPJLX-MJBXVCDLSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@H]1CCC[C@H]1C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942170 183237093 /nfs/dbraw/zinc/23/70/93/183237093.db2.gz QUICEFGTZGPJLX-MJBXVCDLSA-N 2 2 238.375 1.318 10 0 BDAELP c1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc2c1OCO2 ZINC000041262964 183368531 /nfs/dbraw/zinc/36/85/31/183368531.db2.gz UPVKYKOQQRLVKQ-NSHDSACASA-N 2 2 234.299 1.257 10 0 BDAELP CCC[C@@H](C[NH3+])[N@H+](C)CCc1ccccn1 ZINC000019843954 169383781 /nfs/dbraw/zinc/38/37/81/169383781.db2.gz BZEHABBATHPGCV-ZDUSSCGKSA-N 2 2 221.348 1.683 10 0 BDAELP CCC[C@@H](C[NH3+])[N@@H+](C)CCc1ccccn1 ZINC000019843954 169383782 /nfs/dbraw/zinc/38/37/82/169383782.db2.gz BZEHABBATHPGCV-ZDUSSCGKSA-N 2 2 221.348 1.683 10 0 BDAELP C([C@H]1CCC[NH2+]1)[N@@H+]1CCCSCC1 ZINC000042444847 384223503 /nfs/dbraw/zinc/22/35/03/384223503.db2.gz WVXBUTOPVSUCAO-SNVBAGLBSA-N 2 2 200.351 1.177 10 0 BDAELP C([C@H]1CCC[NH2+]1)[N@H+]1CCCSCC1 ZINC000042444847 384223512 /nfs/dbraw/zinc/22/35/12/384223512.db2.gz WVXBUTOPVSUCAO-SNVBAGLBSA-N 2 2 200.351 1.177 10 0 BDAELP CN(CC1CC[NH2+]CC1)c1[nH]c2ccccc2[nH+]1 ZINC000094043125 384285766 /nfs/dbraw/zinc/28/57/66/384285766.db2.gz JBZXFWMAQRAXPM-UHFFFAOYSA-N 2 2 244.342 1.999 10 0 BDAELP CN(C[C@H]1CCC[NH2+]C1)c1cccc[nH+]1 ZINC000095071087 384338405 /nfs/dbraw/zinc/33/84/05/384338405.db2.gz LPTFKVGSRCDFEP-NSHDSACASA-N 2 2 205.305 1.517 10 0 BDAELP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336658362 384677765 /nfs/dbraw/zinc/67/77/65/384677765.db2.gz QFUBZKCYSMQLRL-WDEREUQCSA-N 2 2 202.317 1.666 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc2c(cc1Cl)OCO2 ZINC000044472614 384740943 /nfs/dbraw/zinc/74/09/43/384740943.db2.gz DJDIORMDEMZRNT-SSDOTTSWSA-N 2 2 214.652 1.027 10 0 BDAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccncc1 ZINC000335644668 384801204 /nfs/dbraw/zinc/80/12/04/384801204.db2.gz WUJCIZDTKAMEHS-PWSUYJOCSA-N 2 2 205.305 1.312 10 0 BDAELP CCSCC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000308600519 384860262 /nfs/dbraw/zinc/86/02/62/384860262.db2.gz OEMSVOCKSKKXMF-NSHDSACASA-N 2 2 216.394 1.813 10 0 BDAELP CCSCC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000308600519 384860265 /nfs/dbraw/zinc/86/02/65/384860265.db2.gz OEMSVOCKSKKXMF-NSHDSACASA-N 2 2 216.394 1.813 10 0 BDAELP Fc1ccc(F)c(CC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000259193067 384962820 /nfs/dbraw/zinc/96/28/20/384962820.db2.gz WPIWRZGSUREEFJ-LLVKDONJSA-N 2 2 226.270 1.459 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCCO1 ZINC000308986720 385331336 /nfs/dbraw/zinc/33/13/36/385331336.db2.gz JYJDLCXNOPMPBB-WYUUTHIRSA-N 2 2 212.337 1.094 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCCO1 ZINC000308986720 385331338 /nfs/dbraw/zinc/33/13/38/385331338.db2.gz JYJDLCXNOPMPBB-WYUUTHIRSA-N 2 2 212.337 1.094 10 0 BDAELP c1ccc2c(c1)cc[nH+]c2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000168732720 385384460 /nfs/dbraw/zinc/38/44/60/385384460.db2.gz PUXYJIPLUDUNRT-BETUJISGSA-N 2 2 239.322 1.890 10 0 BDAELP Cc1cn[nH]c1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000335448778 386518125 /nfs/dbraw/zinc/51/81/25/386518125.db2.gz SFCYMYPXCKFZJT-LLVKDONJSA-N 2 2 222.336 1.292 10 0 BDAELP Cc1cn[nH]c1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000335448778 386518127 /nfs/dbraw/zinc/51/81/27/386518127.db2.gz SFCYMYPXCKFZJT-LLVKDONJSA-N 2 2 222.336 1.292 10 0 BDAELP Cc1c[nH]nc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000335448778 386518130 /nfs/dbraw/zinc/51/81/30/386518130.db2.gz SFCYMYPXCKFZJT-LLVKDONJSA-N 2 2 222.336 1.292 10 0 BDAELP Cc1c[nH]nc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000335448778 386518134 /nfs/dbraw/zinc/51/81/34/386518134.db2.gz SFCYMYPXCKFZJT-LLVKDONJSA-N 2 2 222.336 1.292 10 0 BDAELP Cc1nc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)sc1C ZINC000415082513 386600066 /nfs/dbraw/zinc/60/00/66/386600066.db2.gz OMHULAOSKHUOSW-ONGXEEELSA-N 2 2 239.388 1.848 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccnc1 ZINC000396576363 386780341 /nfs/dbraw/zinc/78/03/41/386780341.db2.gz NEXPLDFFYDEODQ-GVXVVHGQSA-N 2 2 219.332 1.873 10 0 BDAELP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334845648 386894895 /nfs/dbraw/zinc/89/48/95/386894895.db2.gz ZQYXGWKDCVQFOI-SKDRFNHKSA-N 2 2 230.315 1.484 10 0 BDAELP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334845648 386894897 /nfs/dbraw/zinc/89/48/97/386894897.db2.gz ZQYXGWKDCVQFOI-SKDRFNHKSA-N 2 2 230.315 1.484 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000247961195 387136811 /nfs/dbraw/zinc/13/68/11/387136811.db2.gz GFOIEJFWQJSVJS-MCIONIFRSA-N 2 2 242.407 1.976 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)C(C)C ZINC000247961195 387136816 /nfs/dbraw/zinc/13/68/16/387136816.db2.gz GFOIEJFWQJSVJS-MCIONIFRSA-N 2 2 242.407 1.976 10 0 BDAELP Cc1cnc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000514854850 387297202 /nfs/dbraw/zinc/29/72/02/387297202.db2.gz ZZNQEAITUSKOGW-GHMZBOCLSA-N 2 2 239.388 1.929 10 0 BDAELP COc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396715113 387488415 /nfs/dbraw/zinc/48/84/15/387488415.db2.gz SPGJTCMFDHMOEE-YPMHNXCESA-N 2 2 234.343 1.925 10 0 BDAELP C[C@@H](CCCC[NH3+])Nc1[nH+]cnc2c1cnn2C ZINC000336791599 388471543 /nfs/dbraw/zinc/47/15/43/388471543.db2.gz OCJBRUSNLFPREQ-VIFPVBQESA-N 2 2 248.334 1.293 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000328371079 388413106 /nfs/dbraw/zinc/41/31/06/388413106.db2.gz SDRSFUAJRAXDRK-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)C1 ZINC000328371079 388413107 /nfs/dbraw/zinc/41/31/07/388413107.db2.gz SDRSFUAJRAXDRK-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP C[C@H]1Oc2ccccc2C=C1[C@@H](C[NH3+])[NH+](C)C ZINC000041166614 388432627 /nfs/dbraw/zinc/43/26/27/388432627.db2.gz NEQZSYHZFHWQLS-ZWNOBZJWSA-N 2 2 232.327 1.740 10 0 BDAELP C[C@@H]1C[C@@]2(CC[NH2+]1)[NH2+]CC[C@@H](C)S2 ZINC000575512591 389011255 /nfs/dbraw/zinc/01/12/55/389011255.db2.gz RCFVRQYTEYCYGZ-BBBLOLIVSA-N 2 2 200.351 1.570 10 0 BDAELP CC[C@@H]1CN(c2cc[nH+]c(C[NH3+])c2)CCO1 ZINC000051396887 132360325 /nfs/dbraw/zinc/36/03/25/132360325.db2.gz VMIIWGQQBNIOGB-GFCCVEGCSA-N 2 2 221.304 1.156 10 0 BDAELP Cc1cc[nH+]c(N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000268283578 132191892 /nfs/dbraw/zinc/19/18/92/132191892.db2.gz BSZXCSGILALZGC-GFCCVEGCSA-N 2 2 217.316 1.674 10 0 BDAELP Cc1cc[nH+]c(N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000268283578 132191894 /nfs/dbraw/zinc/19/18/94/132191894.db2.gz BSZXCSGILALZGC-GFCCVEGCSA-N 2 2 217.316 1.674 10 0 BDAELP CC(C)c1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000057328714 132300955 /nfs/dbraw/zinc/30/09/55/132300955.db2.gz VQYLTZYOPSBPJQ-UHFFFAOYSA-N 2 2 246.358 1.498 10 0 BDAELP CC[NH+]1CCN(c2ccc(N)c(C)[nH+]2)CC1 ZINC000036250974 132341684 /nfs/dbraw/zinc/34/16/84/132341684.db2.gz LEVKYEOUZYPNGF-UHFFFAOYSA-N 2 2 220.320 1.114 10 0 BDAELP [NH3+][C@H]1CCC[C@@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040431799 132347617 /nfs/dbraw/zinc/34/76/17/132347617.db2.gz WYYOYWWJTSGFQN-GJZGRUSLSA-N 2 2 245.370 1.688 10 0 BDAELP C[C@@H]1CN(c2ccc([NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000049711466 132357726 /nfs/dbraw/zinc/35/77/26/132357726.db2.gz SLRBXXNMTHTMFF-RISCZKNCSA-N 2 2 233.359 1.926 10 0 BDAELP C([C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179569389 134322210 /nfs/dbraw/zinc/32/22/10/134322210.db2.gz FWYHJKLZJWJSKG-CYBMUJFWSA-N 2 2 238.375 1.583 10 0 BDAELP C([C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179569389 134322211 /nfs/dbraw/zinc/32/22/11/134322211.db2.gz FWYHJKLZJWJSKG-CYBMUJFWSA-N 2 2 238.375 1.583 10 0 BDAELP C[C@H](C[NH2+]C1COC1)C[NH+]1CCCCC1 ZINC000087597346 135159029 /nfs/dbraw/zinc/15/90/29/135159029.db2.gz QZSXZAXBDCEFRE-LLVKDONJSA-N 2 2 212.337 1.097 10 0 BDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1sccc1Cl ZINC000261539236 135178011 /nfs/dbraw/zinc/17/80/11/135178011.db2.gz BWXDUPABKDANRM-CBAPKCEASA-N 2 2 246.763 1.071 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000261544446 135185421 /nfs/dbraw/zinc/18/54/21/135185421.db2.gz YDZSYFWUFORZKW-AAEUAGOBSA-N 2 2 234.343 1.951 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000261544446 135185423 /nfs/dbraw/zinc/18/54/23/135185423.db2.gz YDZSYFWUFORZKW-AAEUAGOBSA-N 2 2 234.343 1.951 10 0 BDAELP Cc1cc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)on1 ZINC000261561483 135202827 /nfs/dbraw/zinc/20/28/27/135202827.db2.gz AOZDOMRQVSTYEV-LLVKDONJSA-N 2 2 223.320 1.542 10 0 BDAELP Cc1cc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)on1 ZINC000261561483 135202828 /nfs/dbraw/zinc/20/28/28/135202828.db2.gz AOZDOMRQVSTYEV-LLVKDONJSA-N 2 2 223.320 1.542 10 0 BDAELP Cc1cnc(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261674290 135244945 /nfs/dbraw/zinc/24/49/45/135244945.db2.gz JKDXNKLYVBUHOB-GFCCVEGCSA-N 2 2 234.347 1.344 10 0 BDAELP Cc1cnc(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)cn1 ZINC000261674290 135244947 /nfs/dbraw/zinc/24/49/47/135244947.db2.gz JKDXNKLYVBUHOB-GFCCVEGCSA-N 2 2 234.347 1.344 10 0 BDAELP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)c1ccccn1 ZINC000258976685 322880646 /nfs/dbraw/zinc/88/06/46/322880646.db2.gz LTTZIONHZDNSRR-NSHDSACASA-N 2 2 219.332 1.311 10 0 BDAELP CC(C)OCCC[NH2+]CC[NH+]1CCCCC1 ZINC000041626629 167221739 /nfs/dbraw/zinc/22/17/39/167221739.db2.gz TYBHHUWRGKYXSL-UHFFFAOYSA-N 2 2 228.380 1.877 10 0 BDAELP C[NH2+]C[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000663280780 410096258 /nfs/dbraw/zinc/09/62/58/410096258.db2.gz MIXUUCGBEQDWQW-QMMMGPOBSA-N 2 2 204.277 1.583 10 0 BDAELP C[NH2+]C[C@@H]1CCCN(c2[nH+]cccc2OC)C1 ZINC000128307160 410230983 /nfs/dbraw/zinc/23/09/83/410230983.db2.gz WJAUNRBRUJBYPV-NSHDSACASA-N 2 2 235.331 1.526 10 0 BDAELP c1ccc(-c2n[nH+]ccc2N2CC[NH2+]CC2)cc1 ZINC000142038176 410519969 /nfs/dbraw/zinc/51/99/69/410519969.db2.gz QWPOSMPCNPLKEM-UHFFFAOYSA-N 2 2 240.310 1.553 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C1CCCC1 ZINC000395336296 410847403 /nfs/dbraw/zinc/84/74/03/410847403.db2.gz VEIUAKTZRSQCRF-STQMWFEESA-N 2 2 226.364 1.221 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C1CCCC1 ZINC000395336296 410847407 /nfs/dbraw/zinc/84/74/07/410847407.db2.gz VEIUAKTZRSQCRF-STQMWFEESA-N 2 2 226.364 1.221 10 0 BDAELP CC(C)C[NH2+]Cc1csc(C[NH+](C)C)n1 ZINC000082686659 167009788 /nfs/dbraw/zinc/00/97/88/167009788.db2.gz KTRYVSVPYBGTAD-UHFFFAOYSA-N 2 2 227.377 1.950 10 0 BDAELP CC(C)[NH2+]C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000128365010 167094592 /nfs/dbraw/zinc/09/45/92/167094592.db2.gz VLFPOVISOGUJTB-UHFFFAOYSA-N 2 2 221.348 1.977 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000309606183 167105633 /nfs/dbraw/zinc/10/56/33/167105633.db2.gz LIHCTRXDJNQWEV-CYBMUJFWSA-N 2 2 228.380 1.325 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000309606183 167105634 /nfs/dbraw/zinc/10/56/34/167105634.db2.gz LIHCTRXDJNQWEV-CYBMUJFWSA-N 2 2 228.380 1.325 10 0 BDAELP CC(C)[NH2+]C[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000062325190 167110530 /nfs/dbraw/zinc/11/05/30/167110530.db2.gz WMNWBSCQBTYWKG-LLVKDONJSA-N 2 2 222.336 1.085 10 0 BDAELP CC(C)OCC[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860439 167237295 /nfs/dbraw/zinc/23/72/95/167237295.db2.gz QSIZWBAGGXGPKR-OAHLLOKOSA-N 2 2 248.370 1.797 10 0 BDAELP CC(C)OCC[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860439 167237298 /nfs/dbraw/zinc/23/72/98/167237298.db2.gz QSIZWBAGGXGPKR-OAHLLOKOSA-N 2 2 248.370 1.797 10 0 BDAELP CC(C)[C@@H](C[NH2+]C[C@H]1CCCCN1C)[NH+](C)C ZINC000054240293 167399555 /nfs/dbraw/zinc/39/95/55/167399555.db2.gz KCZFIPFRVMPFHJ-ZIAGYGMSSA-N 2 2 241.423 1.647 10 0 BDAELP CC(C)CC[N@H+](C)Cc1noc(C[NH3+])n1 ZINC000300910803 411127740 /nfs/dbraw/zinc/12/77/40/411127740.db2.gz OUQWQAWPJUEQHM-UHFFFAOYSA-N 2 2 212.297 1.006 10 0 BDAELP CC(C)CC[N@@H+](C)Cc1noc(C[NH3+])n1 ZINC000300910803 411127741 /nfs/dbraw/zinc/12/77/41/411127741.db2.gz OUQWQAWPJUEQHM-UHFFFAOYSA-N 2 2 212.297 1.006 10 0 BDAELP CC(C)(O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656678260 411322674 /nfs/dbraw/zinc/32/26/74/411322674.db2.gz YKIHNUDPENLIBC-SNVBAGLBSA-N 2 2 214.353 1.220 10 0 BDAELP CC(C)(O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656678260 411322677 /nfs/dbraw/zinc/32/26/77/411322677.db2.gz YKIHNUDPENLIBC-SNVBAGLBSA-N 2 2 214.353 1.220 10 0 BDAELP Cc1nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])cc[nH+]1 ZINC000069727478 411360313 /nfs/dbraw/zinc/36/03/13/411360313.db2.gz NQLMTYCOHHHFHY-KOLCDFICSA-N 2 2 220.320 1.349 10 0 BDAELP CC(C)(C)[N@@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616687283 411414407 /nfs/dbraw/zinc/41/44/07/411414407.db2.gz RUSDAJNTXIGKAJ-NSHDSACASA-N 2 2 223.320 1.903 10 0 BDAELP CC(C)(C)[N@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616687283 411414409 /nfs/dbraw/zinc/41/44/09/411414409.db2.gz RUSDAJNTXIGKAJ-NSHDSACASA-N 2 2 223.320 1.903 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000127497039 411492154 /nfs/dbraw/zinc/49/21/54/411492154.db2.gz MRSCMVSLXGKLCE-QWRGUYRKSA-N 2 2 235.331 1.654 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC)C2)CO1 ZINC000657495650 411535433 /nfs/dbraw/zinc/53/54/33/411535433.db2.gz KOHIGHHOSBJDGG-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)CO1 ZINC000657495650 411535435 /nfs/dbraw/zinc/53/54/35/411535435.db2.gz KOHIGHHOSBJDGG-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000328188898 170022738 /nfs/dbraw/zinc/02/27/38/170022738.db2.gz OXCYQFBMKKSDKF-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000328188898 170022740 /nfs/dbraw/zinc/02/27/40/170022740.db2.gz OXCYQFBMKKSDKF-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000037267482 170108539 /nfs/dbraw/zinc/10/85/39/170108539.db2.gz GINGOCXGXULKMH-UHFFFAOYSA-N 3 2 225.380 1.155 10 0 BDAELP CC[NH2+]CCc1[nH]c2cc(F)c(F)cc2[nH+]1 ZINC000051784290 170117956 /nfs/dbraw/zinc/11/79/56/170117956.db2.gz PMZVSKQOKDRWDD-UHFFFAOYSA-N 2 2 225.242 1.993 10 0 BDAELP CC[NH2+]CCc1[nH+]c2cc(OC)ccc2n1C ZINC000074297983 170118422 /nfs/dbraw/zinc/11/84/22/170118422.db2.gz RRXYJVORCQWNQA-UHFFFAOYSA-N 2 2 233.315 1.734 10 0 BDAELP CC[NH2+]C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000053695941 170122699 /nfs/dbraw/zinc/12/26/99/170122699.db2.gz MDBYRUWQVITZSK-GFCCVEGCSA-N 2 2 219.332 1.908 10 0 BDAELP CC[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCCCCC1 ZINC000043812251 170153289 /nfs/dbraw/zinc/15/32/89/170153289.db2.gz XCRJYWOFRHHGNA-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1C[NH+]1CCOCC1 ZINC000053861141 170167290 /nfs/dbraw/zinc/16/72/90/170167290.db2.gz URSUVANIEPIYLJ-RYUDHWBXSA-N 2 2 212.337 1.097 10 0 BDAELP CCNc1[nH+]cnc(Nc2cc[nH+]cc2)c1N ZINC000040687505 170177902 /nfs/dbraw/zinc/17/79/02/170177902.db2.gz NJFFKCKTKMLCRE-UHFFFAOYSA-N 2 2 230.275 1.629 10 0 BDAELP CCOC(=O)CC[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000049555927 170209812 /nfs/dbraw/zinc/20/98/12/170209812.db2.gz URRMRTOMQMXENW-GFCCVEGCSA-N 2 2 244.379 1.506 10 0 BDAELP CC[C@@H]1C[NH2+][C@H](C)CN1CCCn1cc[nH+]c1 ZINC000083364158 171103506 /nfs/dbraw/zinc/10/35/06/171103506.db2.gz YVSWLSUWXDHLDQ-CHWSQXEVSA-N 2 2 236.363 1.346 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052481405 171106232 /nfs/dbraw/zinc/10/62/32/171106232.db2.gz YLDASPUMDIBGSS-UONOGXRCSA-N 2 2 242.407 1.979 10 0 BDAELP CC[C@@H]1COCC[N@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052481405 171106234 /nfs/dbraw/zinc/10/62/34/171106234.db2.gz YLDASPUMDIBGSS-UONOGXRCSA-N 2 2 242.407 1.979 10 0 BDAELP CC[C@H]([NH3+])[C@@H](c1cnn(C)c1)[NH+]1CCCCC1 ZINC000043126539 171488247 /nfs/dbraw/zinc/48/82/47/171488247.db2.gz IPSWWUCHBBDEOX-QWHCGFSZSA-N 2 2 236.363 1.684 10 0 BDAELP CCc1[nH+]c2ccccc2n1CCOCC[NH3+] ZINC000057798923 172013164 /nfs/dbraw/zinc/01/31/64/172013164.db2.gz CQXYSSKOXGDSKD-UHFFFAOYSA-N 2 2 233.315 1.574 10 0 BDAELP CCn1cc(C[N@@H+]2CCC[C@H]2C[NH3+])c(C)n1 ZINC000020315834 172164744 /nfs/dbraw/zinc/16/47/44/172164744.db2.gz LNCVDERXRFTSGU-LBPRGKRZSA-N 2 2 222.336 1.135 10 0 BDAELP CCn1cc(C[N@H+]2CCC[C@H]2C[NH3+])c(C)n1 ZINC000020315834 172164746 /nfs/dbraw/zinc/16/47/46/172164746.db2.gz LNCVDERXRFTSGU-LBPRGKRZSA-N 2 2 222.336 1.135 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+]CC1CCOCC1 ZINC000052172547 172395660 /nfs/dbraw/zinc/39/56/60/172395660.db2.gz DFDNKXQFDNEFID-UHFFFAOYSA-N 2 2 214.353 1.343 10 0 BDAELP CN1CC[NH+](Cc2occc2C[NH2+]C2CC2)CC1 ZINC000052379302 173089175 /nfs/dbraw/zinc/08/91/75/173089175.db2.gz PKXJWPLKMDIYNB-UHFFFAOYSA-N 2 2 249.358 1.279 10 0 BDAELP C[N@@H+]1CCO[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000091673642 173108892 /nfs/dbraw/zinc/10/88/92/173108892.db2.gz VESWNLRVYGAMFN-SNVBAGLBSA-N 2 2 246.314 1.305 10 0 BDAELP C[N@H+]1CCO[C@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000091673642 173108895 /nfs/dbraw/zinc/10/88/95/173108895.db2.gz VESWNLRVYGAMFN-SNVBAGLBSA-N 2 2 246.314 1.305 10 0 BDAELP C[N@@H+]1CC[C@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000083072179 173144661 /nfs/dbraw/zinc/14/46/61/173144661.db2.gz IIMAWJNZLCFZBN-ZWNOBZJWSA-N 2 2 230.315 1.286 10 0 BDAELP C[N@H+]1CC[C@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000083072179 173144662 /nfs/dbraw/zinc/14/46/62/173144662.db2.gz IIMAWJNZLCFZBN-ZWNOBZJWSA-N 2 2 230.315 1.286 10 0 BDAELP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000037646234 173146508 /nfs/dbraw/zinc/14/65/08/173146508.db2.gz IRBHUEHGLQXBIP-ZWNOBZJWSA-N 2 2 248.326 1.367 10 0 BDAELP C[N@H+]1CC[C@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000037646234 173146510 /nfs/dbraw/zinc/14/65/10/173146510.db2.gz IRBHUEHGLQXBIP-ZWNOBZJWSA-N 2 2 248.326 1.367 10 0 BDAELP CN(C)c1ccc(N[C@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000061985452 173154345 /nfs/dbraw/zinc/15/43/45/173154345.db2.gz LXQYHEDGKRADLB-NSHDSACASA-N 2 2 220.320 1.264 10 0 BDAELP CN(C)c1ccc(N[C@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000061985452 173154346 /nfs/dbraw/zinc/15/43/46/173154346.db2.gz LXQYHEDGKRADLB-NSHDSACASA-N 2 2 220.320 1.264 10 0 BDAELP C[NH2+]C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095071545 173324342 /nfs/dbraw/zinc/32/43/42/173324342.db2.gz MMBAGEVMTFEGSU-UHFFFAOYSA-N 2 2 230.315 1.751 10 0 BDAELP C[NH2+]CCCOCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000077366807 173349883 /nfs/dbraw/zinc/34/98/83/173349883.db2.gz OECPFDGFPPWARX-UHFFFAOYSA-N 2 2 233.315 1.997 10 0 BDAELP C[NH2+]CCCOCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000077366807 173349884 /nfs/dbraw/zinc/34/98/84/173349884.db2.gz OECPFDGFPPWARX-UHFFFAOYSA-N 2 2 233.315 1.997 10 0 BDAELP C[NH2+]CCCc1[nH+]c2cc(F)ccc2n1C ZINC000037439356 173351099 /nfs/dbraw/zinc/35/10/99/173351099.db2.gz OFDQDLHVRDXJRM-UHFFFAOYSA-N 2 2 221.279 1.864 10 0 BDAELP C[NH2+]Cc1cc(Cn2cc[nH+]c2)oc1C ZINC000052575379 173387037 /nfs/dbraw/zinc/38/70/37/173387037.db2.gz ZVYRTHRLYKLUOS-UHFFFAOYSA-N 2 2 205.261 1.552 10 0 BDAELP C[NH2+]Cc1csc(C[NH+]2CCCC2)n1 ZINC000045206611 173393012 /nfs/dbraw/zinc/39/30/12/173393012.db2.gz HKXNMXUCBKPQHU-UHFFFAOYSA-N 2 2 211.334 1.458 10 0 BDAELP C[NH2+][C@H]1CC[N@H+](CCc2ccsc2)C1 ZINC000049183878 173464685 /nfs/dbraw/zinc/46/46/85/173464685.db2.gz HPTZWOPDVPWHEP-NSHDSACASA-N 2 2 210.346 1.584 10 0 BDAELP C[NH2+][C@H]1CC[N@@H+](CCc2ccsc2)C1 ZINC000049183878 173464686 /nfs/dbraw/zinc/46/46/86/173464686.db2.gz HPTZWOPDVPWHEP-NSHDSACASA-N 2 2 210.346 1.584 10 0 BDAELP COCCC[N@H+](C)[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000062029360 174220542 /nfs/dbraw/zinc/22/05/42/174220542.db2.gz ZAMMLKNKEKZJGM-AAEUAGOBSA-N 2 2 237.347 1.438 10 0 BDAELP COCCC[N@@H+](C)[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000062029360 174220543 /nfs/dbraw/zinc/22/05/43/174220543.db2.gz ZAMMLKNKEKZJGM-AAEUAGOBSA-N 2 2 237.347 1.438 10 0 BDAELP COCC[N@H+](C)CCNC(=[NH2+])c1ccccc1 ZINC000062987908 174275885 /nfs/dbraw/zinc/27/58/85/174275885.db2.gz YCQPCUNKSWWGQY-UHFFFAOYSA-N 2 2 235.331 1.180 10 0 BDAELP COCC[N@@H+](C)CCNC(=[NH2+])c1ccccc1 ZINC000062987908 174275886 /nfs/dbraw/zinc/27/58/86/174275886.db2.gz YCQPCUNKSWWGQY-UHFFFAOYSA-N 2 2 235.331 1.180 10 0 BDAELP COCC[N@H+](C)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000041241206 174282541 /nfs/dbraw/zinc/28/25/41/174282541.db2.gz KJGWYJVFISNKKV-ZDUSSCGKSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000041241206 174282542 /nfs/dbraw/zinc/28/25/42/174282542.db2.gz KJGWYJVFISNKKV-ZDUSSCGKSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@H+](C)[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043036272 174283624 /nfs/dbraw/zinc/28/36/24/174283624.db2.gz JWHGSKWGCFKLHL-JSGCOSHPSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043036272 174283625 /nfs/dbraw/zinc/28/36/25/174283625.db2.gz JWHGSKWGCFKLHL-JSGCOSHPSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032014359 174291585 /nfs/dbraw/zinc/29/15/85/174291585.db2.gz ZAVVTXKIUVUXMC-UHFFFAOYSA-N 2 2 222.332 1.402 10 0 BDAELP COCC[N@@H+](CC[NH3+])Cc1ccc(C)cc1 ZINC000032014359 174291586 /nfs/dbraw/zinc/29/15/86/174291586.db2.gz ZAVVTXKIUVUXMC-UHFFFAOYSA-N 2 2 222.332 1.402 10 0 BDAELP COCC[N@H+](C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518134 174297327 /nfs/dbraw/zinc/29/73/27/174297327.db2.gz XOTHLDJZGOXCLX-AWEZNQCLSA-N 2 2 234.343 1.797 10 0 BDAELP COCC[N@@H+](C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518134 174297329 /nfs/dbraw/zinc/29/73/29/174297329.db2.gz XOTHLDJZGOXCLX-AWEZNQCLSA-N 2 2 234.343 1.797 10 0 BDAELP COCC[N@@H+]([C@@H](C[NH3+])CC(C)C)[C@@H](C)COC ZINC000042603348 174302260 /nfs/dbraw/zinc/30/22/60/174302260.db2.gz OKURSCIAVLFVFC-QWHCGFSZSA-N 2 2 246.395 1.343 10 0 BDAELP COCC[N@H+]([C@@H](C[NH3+])CC(C)C)[C@@H](C)COC ZINC000042603348 174302262 /nfs/dbraw/zinc/30/22/62/174302262.db2.gz OKURSCIAVLFVFC-QWHCGFSZSA-N 2 2 246.395 1.343 10 0 BDAELP COCC[NH2+]CCC[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000053499723 174331942 /nfs/dbraw/zinc/33/19/42/174331942.db2.gz XQQULVRCVQMJMT-GFCCVEGCSA-N 2 2 244.379 1.112 10 0 BDAELP COCC[NH2+]CCC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000053499723 174331943 /nfs/dbraw/zinc/33/19/43/174331943.db2.gz XQQULVRCVQMJMT-GFCCVEGCSA-N 2 2 244.379 1.112 10 0 BDAELP COc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cn1 ZINC000062076242 175101483 /nfs/dbraw/zinc/10/14/83/175101483.db2.gz LCNKWAJZARSHNP-LLVKDONJSA-N 2 2 235.331 1.132 10 0 BDAELP COc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cn1 ZINC000062076242 175101486 /nfs/dbraw/zinc/10/14/86/175101486.db2.gz LCNKWAJZARSHNP-LLVKDONJSA-N 2 2 235.331 1.132 10 0 BDAELP COc1ccc(OC)c(C[C@@H]([NH3+])C[NH+](C)C)c1 ZINC000071548923 175166356 /nfs/dbraw/zinc/16/63/56/175166356.db2.gz SQTVLGCQOFCVAM-LLVKDONJSA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1Cl ZINC000071533854 175178093 /nfs/dbraw/zinc/17/80/93/175178093.db2.gz KEXQGSIZGCYROU-SNVBAGLBSA-N 2 2 228.723 1.910 10 0 BDAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CCO)cc1 ZINC000042961311 175181707 /nfs/dbraw/zinc/18/17/07/175181707.db2.gz JBHBYZUFIHCFLC-ZWNOBZJWSA-N 2 2 238.331 1.008 10 0 BDAELP COc1ccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CCO)cc1 ZINC000042961311 175181709 /nfs/dbraw/zinc/18/17/09/175181709.db2.gz JBHBYZUFIHCFLC-ZWNOBZJWSA-N 2 2 238.331 1.008 10 0 BDAELP COc1ccc2ccccc2c1[C@@H]([NH3+])C[NH3+] ZINC000035676911 175226781 /nfs/dbraw/zinc/22/67/81/175226781.db2.gz QMBWHOADXOMFNB-NSHDSACASA-N 2 2 216.284 1.807 10 0 BDAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@H+](C)CCO)c1 ZINC000043027239 175296336 /nfs/dbraw/zinc/29/63/36/175296336.db2.gz KSQDGZNVHWYBAO-GWCFXTLKSA-N 2 2 238.331 1.008 10 0 BDAELP COc1cccc([C@H]([C@H](C)[NH3+])[N@@H+](C)CCO)c1 ZINC000043027239 175296338 /nfs/dbraw/zinc/29/63/38/175296338.db2.gz KSQDGZNVHWYBAO-GWCFXTLKSA-N 2 2 238.331 1.008 10 0 BDAELP COc1ccccc1CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000057954322 175322435 /nfs/dbraw/zinc/32/24/35/175322435.db2.gz DISHLLBZEMOURI-CYBMUJFWSA-N 2 2 234.343 1.661 10 0 BDAELP COc1ccccc1CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000057954322 175322437 /nfs/dbraw/zinc/32/24/37/175322437.db2.gz DISHLLBZEMOURI-CYBMUJFWSA-N 2 2 234.343 1.661 10 0 BDAELP C[C@@H]([NH3+])CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000037607745 175803791 /nfs/dbraw/zinc/80/37/91/175803791.db2.gz FIGAEYMZLMJLAU-SNVBAGLBSA-N 2 2 244.298 1.548 10 0 BDAELP C[C@@H](c1cccnc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662162 176030216 /nfs/dbraw/zinc/03/02/16/176030216.db2.gz VDEBNCSLNUVWGL-NEPJUHHUSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H](c1cccnc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662162 176030219 /nfs/dbraw/zinc/03/02/19/176030219.db2.gz VDEBNCSLNUVWGL-NEPJUHHUSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H](c1cnccn1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596591 176036894 /nfs/dbraw/zinc/03/68/94/176036894.db2.gz KPXHCYVNYXEYRQ-SDDRHHMPSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@@H](c1cnccn1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596591 176036897 /nfs/dbraw/zinc/03/68/97/176036897.db2.gz KPXHCYVNYXEYRQ-SDDRHHMPSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@@H](c1cnccn1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193596591 176036898 /nfs/dbraw/zinc/03/68/98/176036898.db2.gz KPXHCYVNYXEYRQ-SDDRHHMPSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@@H](c1cnccn1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193596591 176036900 /nfs/dbraw/zinc/03/69/00/176036900.db2.gz KPXHCYVNYXEYRQ-SDDRHHMPSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044390316 176166370 /nfs/dbraw/zinc/16/63/70/176166370.db2.gz JPPBMQGJUGYWCQ-GFCCVEGCSA-N 3 2 225.380 1.155 10 0 BDAELP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044390316 176166372 /nfs/dbraw/zinc/16/63/72/176166372.db2.gz JPPBMQGJUGYWCQ-GFCCVEGCSA-N 3 2 225.380 1.155 10 0 BDAELP C[C@@H]1C[N@H+](CC2([NH3+])CCCC2)CC(C)(C)O1 ZINC000041681536 176285428 /nfs/dbraw/zinc/28/54/28/176285428.db2.gz UBVPRPGZTSUDPL-LLVKDONJSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCCC2)CC(C)(C)O1 ZINC000041681536 176285430 /nfs/dbraw/zinc/28/54/30/176285430.db2.gz UBVPRPGZTSUDPL-LLVKDONJSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])o2)[C@H](C)CO1 ZINC000052476437 176303585 /nfs/dbraw/zinc/30/35/85/176303585.db2.gz MVWICGDYYFEGPN-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])o2)[C@H](C)CO1 ZINC000052476437 176303587 /nfs/dbraw/zinc/30/35/87/176303587.db2.gz MVWICGDYYFEGPN-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H](c1nccs1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256755 177053999 /nfs/dbraw/zinc/05/39/99/177053999.db2.gz AXCMZDZIGLGXPP-BDAKNGLRSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@H](c1nccs1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256755 177054000 /nfs/dbraw/zinc/05/40/00/177054000.db2.gz AXCMZDZIGLGXPP-BDAKNGLRSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@H]1CC[N@H+](CCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235645697 177162215 /nfs/dbraw/zinc/16/22/15/177162215.db2.gz AGUUBDXQWFNPST-GXTWGEPZSA-N 2 2 233.359 1.683 10 0 BDAELP C[C@H]1CC[N@@H+](CCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235645697 177162216 /nfs/dbraw/zinc/16/22/16/177162216.db2.gz AGUUBDXQWFNPST-GXTWGEPZSA-N 2 2 233.359 1.683 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccnc1 ZINC000071509829 177174183 /nfs/dbraw/zinc/17/41/83/177174183.db2.gz URDDWJLNKJNLBG-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccnc1 ZINC000071509829 177174184 /nfs/dbraw/zinc/17/41/84/177174184.db2.gz URDDWJLNKJNLBG-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@H]1C[N@@H+](C(C)(C)C[NH3+])CC(C)(C)O1 ZINC000045664792 177232609 /nfs/dbraw/zinc/23/26/09/177232609.db2.gz URWRYQOPZALLJZ-VIFPVBQESA-N 2 2 200.326 1.223 10 0 BDAELP C[C@H]1C[N@H+](C(C)(C)C[NH3+])CC(C)(C)O1 ZINC000045664792 177232611 /nfs/dbraw/zinc/23/26/11/177232611.db2.gz URWRYQOPZALLJZ-VIFPVBQESA-N 2 2 200.326 1.223 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]2C[NH2+]CCN21 ZINC000096984030 177266700 /nfs/dbraw/zinc/26/67/00/177266700.db2.gz HTYLDDOZPFLJTE-DZGCQCFKSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]2C[NH2+]CCN21 ZINC000096984030 177266701 /nfs/dbraw/zinc/26/67/01/177266701.db2.gz HTYLDDOZPFLJTE-DZGCQCFKSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cccnc2C[NH3+])C[C@H](C)O1 ZINC000061656415 177266821 /nfs/dbraw/zinc/26/68/21/177266821.db2.gz MSGYQKSEBQZVDE-PHIMTYICSA-N 2 2 235.331 1.150 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cccnc2C[NH3+])C[C@H](C)O1 ZINC000061656415 177266822 /nfs/dbraw/zinc/26/68/22/177266822.db2.gz MSGYQKSEBQZVDE-PHIMTYICSA-N 2 2 235.331 1.150 10 0 BDAELP C[C@H]1C[NH+]=C(N[C@H]2CCC[N@H+](C)C2)S1 ZINC000040715977 177281240 /nfs/dbraw/zinc/28/12/40/177281240.db2.gz LPJGVQRHWRFWQT-IUCAKERBSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@H]1C[NH+]=C(N[C@H]2CCC[N@@H+](C)C2)S1 ZINC000040715977 177281241 /nfs/dbraw/zinc/28/12/41/177281241.db2.gz LPJGVQRHWRFWQT-IUCAKERBSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361769 226341698 /nfs/dbraw/zinc/34/16/98/226341698.db2.gz QHEDAYRDLOOGHW-MGPQQGTHSA-N 3 2 239.407 1.448 10 0 BDAELP Cc1cc(CO)cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000228451026 487652592 /nfs/dbraw/zinc/65/25/92/487652592.db2.gz YLUXITIJVSIGEY-MFKMUULPSA-N 2 2 249.358 1.269 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000328465993 487694048 /nfs/dbraw/zinc/69/40/48/487694048.db2.gz JHJYFJCCICLYTK-WXRRBKDZSA-N 3 2 225.380 1.330 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000328465993 487694049 /nfs/dbraw/zinc/69/40/49/487694049.db2.gz JHJYFJCCICLYTK-WXRRBKDZSA-N 3 2 225.380 1.330 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089462553 487822494 /nfs/dbraw/zinc/82/24/94/487822494.db2.gz ZZCHINNENRRVMH-QWRGUYRKSA-N 2 2 233.315 1.704 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796677 488122942 /nfs/dbraw/zinc/12/29/42/488122942.db2.gz RNUBRSXBLOMKBY-MJBXVCDLSA-N 2 2 238.375 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000667796677 488122944 /nfs/dbraw/zinc/12/29/44/488122944.db2.gz RNUBRSXBLOMKBY-MJBXVCDLSA-N 2 2 238.375 1.628 10 0 BDAELP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000309236862 491146584 /nfs/dbraw/zinc/14/65/84/491146584.db2.gz XRKHNUSBWGTSOW-VXGBXAGGSA-N 2 2 214.353 1.079 10 0 BDAELP CC[C@@H](C)C[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000309236862 491146585 /nfs/dbraw/zinc/14/65/85/491146585.db2.gz XRKHNUSBWGTSOW-VXGBXAGGSA-N 2 2 214.353 1.079 10 0 BDAELP [NH3+]C[C@@H]1CC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC000757140916 582521599 /nfs/dbraw/zinc/52/15/99/582521599.db2.gz CYAWAEFMOATATM-UWVGGRQHSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@@H]1CC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC000757140916 582521602 /nfs/dbraw/zinc/52/16/02/582521602.db2.gz CYAWAEFMOATATM-UWVGGRQHSA-N 2 2 218.291 1.845 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000238853081 521709081 /nfs/dbraw/zinc/70/90/81/521709081.db2.gz IHYHVOPKIDYLEC-CHWSQXEVSA-N 2 2 220.316 1.407 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000238853081 521709082 /nfs/dbraw/zinc/70/90/82/521709082.db2.gz IHYHVOPKIDYLEC-CHWSQXEVSA-N 2 2 220.316 1.407 10 0 BDAELP CCC[C@@H](C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019404291 535341819 /nfs/dbraw/zinc/34/18/19/535341819.db2.gz AGJXZQQMFHGNRH-HNNXBMFYSA-N 2 2 247.386 1.936 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000087479304 535541303 /nfs/dbraw/zinc/54/13/03/535541303.db2.gz HPQQGLOZXNUSJJ-OLZOCXBDSA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000087479304 535541308 /nfs/dbraw/zinc/54/13/08/535541308.db2.gz HPQQGLOZXNUSJJ-OLZOCXBDSA-N 2 2 228.380 1.731 10 0 BDAELP CC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178294570 535812748 /nfs/dbraw/zinc/81/27/48/535812748.db2.gz UAWRLEGHAPFLPF-QWHCGFSZSA-N 2 2 237.347 1.427 10 0 BDAELP CC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178294570 535812749 /nfs/dbraw/zinc/81/27/49/535812749.db2.gz UAWRLEGHAPFLPF-QWHCGFSZSA-N 2 2 237.347 1.427 10 0 BDAELP COCC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757132939 582508657 /nfs/dbraw/zinc/50/86/57/582508657.db2.gz SGDJKMGUCPYMEW-ZDUSSCGKSA-N 2 2 224.348 1.193 10 0 BDAELP COCC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757132939 582508659 /nfs/dbraw/zinc/50/86/59/582508659.db2.gz SGDJKMGUCPYMEW-ZDUSSCGKSA-N 2 2 224.348 1.193 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cccc(N)c2)[NH2+]1 ZINC000757218739 582563137 /nfs/dbraw/zinc/56/31/37/582563137.db2.gz WVDRUXLMMLWMQN-GGZOMVNGSA-N 2 2 205.305 1.409 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+]CC[C@H](C)[C@@H]1[NH3+] ZINC000757230023 582563526 /nfs/dbraw/zinc/56/35/26/582563526.db2.gz FTXMMFJZSSNLLZ-XDTLVQLUSA-N 2 2 219.332 1.575 10 0 BDAELP [NH3+]C[C@H]1CCNc2[nH+]c3ccccc3n21 ZINC000236251873 582643373 /nfs/dbraw/zinc/64/33/73/582643373.db2.gz YTPFGCOCLQMHQZ-MRVPVSSYSA-N 2 2 202.261 1.352 10 0 BDAELP CC(C)[NH2+]C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000259138468 582806181 /nfs/dbraw/zinc/80/61/81/582806181.db2.gz CRDNNKNDQBEDPC-GFCCVEGCSA-N 2 2 220.316 1.619 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000394581321 582995614 /nfs/dbraw/zinc/99/56/14/582995614.db2.gz ZDCVDLBIRRZREU-STQMWFEESA-N 2 2 228.380 1.611 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000394581321 582995616 /nfs/dbraw/zinc/99/56/16/582995616.db2.gz ZDCVDLBIRRZREU-STQMWFEESA-N 2 2 228.380 1.611 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])cc1 ZINC000757211017 586437238 /nfs/dbraw/zinc/43/72/38/586437238.db2.gz FFSUSPLQSQMTOG-STQMWFEESA-N 2 2 218.300 1.641 10 0 BDAELP [NH3+][C@H]1CCC[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757213077 586439383 /nfs/dbraw/zinc/43/93/83/586439383.db2.gz KSXGGGSFEFLJLI-WPRPVWTQSA-N 2 2 210.302 1.312 10 0 BDAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1cccc(C=O)c1 ZINC000757213436 586439907 /nfs/dbraw/zinc/43/99/07/586439907.db2.gz KFLYDZYUGRYZNT-NEPJUHHUSA-N 2 2 204.273 1.251 10 0 BDAELP C[C@@H]1[NH2+][C@H](c2cccc(C=O)c2)CC[C@@H]1[NH3+] ZINC000757217463 586441649 /nfs/dbraw/zinc/44/16/49/586441649.db2.gz RUMWKIWYBQBFRZ-XDTLVQLUSA-N 2 2 218.300 1.639 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1cnn(C(C)(C)C)c1 ZINC000757229311 586442627 /nfs/dbraw/zinc/44/26/27/586442627.db2.gz DPEMLNDRVLDJIO-JLLWLGSASA-N 2 2 236.363 1.636 10 0 BDAELP CCn1cc([C@@H]2CC[C@H]([NH3+])[C@H](C)[NH2+]2)cn1 ZINC000757228155 586442726 /nfs/dbraw/zinc/44/27/26/586442726.db2.gz BWDZMHPSVWTBBV-LSJOCFKGSA-N 2 2 208.309 1.043 10 0 BDAELP Cc1ccc(OCC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000019933330 590049157 /nfs/dbraw/zinc/04/91/57/590049157.db2.gz BJVUODAVVVSQJH-ZDUSSCGKSA-N 2 2 234.343 1.797 10 0 BDAELP Cc1ccc(OCC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000019933330 590049160 /nfs/dbraw/zinc/04/91/60/590049160.db2.gz BJVUODAVVVSQJH-ZDUSSCGKSA-N 2 2 234.343 1.797 10 0 BDAELP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2)O1 ZINC000722387914 711752969 /nfs/dbraw/zinc/75/29/69/711752969.db2.gz ALWRZFJJRVBIBG-YIZRAAEISA-N 2 2 238.253 1.048 10 0 BDAELP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H]2C[NH3+])C1 ZINC000708340412 712189454 /nfs/dbraw/zinc/18/94/54/712189454.db2.gz ZPXUTWFAFRUTOW-QWRGUYRKSA-N 2 2 212.337 1.225 10 0 BDAELP CC1(C)CO[C@H](C[N@H+]2CCC[C@H]2C[NH3+])C1 ZINC000708340412 712189455 /nfs/dbraw/zinc/18/94/55/712189455.db2.gz ZPXUTWFAFRUTOW-QWRGUYRKSA-N 2 2 212.337 1.225 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788260 712865135 /nfs/dbraw/zinc/86/51/35/712865135.db2.gz IUZIJSBIPIDZJG-ZDEQEGDKSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720788260 712865137 /nfs/dbraw/zinc/86/51/37/712865137.db2.gz IUZIJSBIPIDZJG-ZDEQEGDKSA-N 2 2 224.348 1.367 10 0 BDAELP Cn1ncc2c1nc[nH+]c2NCCCCCC[NH3+] ZINC000236096285 711670984 /nfs/dbraw/zinc/67/09/84/711670984.db2.gz ZLZFFFRSOBULSP-UHFFFAOYSA-N 2 2 248.334 1.294 10 0 BDAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CCC[C@H]1O ZINC000717425867 712658146 /nfs/dbraw/zinc/65/81/46/712658146.db2.gz OBOFNBGQOMGPCH-UMSGYPCISA-N 2 2 224.348 1.068 10 0 BDAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2[C@@H]1CCC[C@H]1O ZINC000717425867 712658147 /nfs/dbraw/zinc/65/81/47/712658147.db2.gz OBOFNBGQOMGPCH-UMSGYPCISA-N 2 2 224.348 1.068 10 0 BDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H]1CCC[C@H]1O ZINC000717425867 712658148 /nfs/dbraw/zinc/65/81/48/712658148.db2.gz OBOFNBGQOMGPCH-UMSGYPCISA-N 2 2 224.348 1.068 10 0 BDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2[C@@H]1CCC[C@H]1O ZINC000717425867 712658149 /nfs/dbraw/zinc/65/81/49/712658149.db2.gz OBOFNBGQOMGPCH-UMSGYPCISA-N 2 2 224.348 1.068 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232205 168322814 /nfs/dbraw/zinc/32/28/14/168322814.db2.gz HBHCQNGBGUXGOD-UHFFFAOYSA-N 2 2 214.353 1.615 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232205 168322818 /nfs/dbraw/zinc/32/28/18/168322818.db2.gz HBHCQNGBGUXGOD-UHFFFAOYSA-N 2 2 214.353 1.615 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616615326 398174238 /nfs/dbraw/zinc/17/42/38/398174238.db2.gz VQJNKHFBKROSIZ-CQSZACIVSA-N 2 2 234.343 1.665 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616615326 398174240 /nfs/dbraw/zinc/17/42/40/398174240.db2.gz VQJNKHFBKROSIZ-CQSZACIVSA-N 2 2 234.343 1.665 10 0 BDAELP C(COCC1CCCC1)[NH2+][C@H]1CC[NH2+]C1 ZINC000313281135 398184696 /nfs/dbraw/zinc/18/46/96/398184696.db2.gz KQGLWKYBSVPJLB-LBPRGKRZSA-N 2 2 212.337 1.145 10 0 BDAELP Cc1cc([C@H]2CCC[NH2+]2)nc(-n2cc[nH+]c2)n1 ZINC000071624363 178267053 /nfs/dbraw/zinc/26/70/53/178267053.db2.gz HYCHFVUWHCJNFC-SNVBAGLBSA-N 2 2 229.287 1.395 10 0 BDAELP CC[C@H](C)[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C1)OC ZINC000381294747 398250187 /nfs/dbraw/zinc/25/01/87/398250187.db2.gz OVQYQPARFKFLIS-RWMBFGLXSA-N 2 2 228.380 1.731 10 0 BDAELP CC[C@H](C)[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C1)OC ZINC000381294747 398250191 /nfs/dbraw/zinc/25/01/91/398250191.db2.gz OVQYQPARFKFLIS-RWMBFGLXSA-N 2 2 228.380 1.731 10 0 BDAELP [NH3+][C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381611509 398254351 /nfs/dbraw/zinc/25/43/51/398254351.db2.gz ISURXSGUBWHHEO-VHSXEESVSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381611509 398254352 /nfs/dbraw/zinc/25/43/52/398254352.db2.gz ISURXSGUBWHHEO-VHSXEESVSA-N 2 2 218.291 1.845 10 0 BDAELP CCC(CC)[N@H+](C)CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062448890 168369629 /nfs/dbraw/zinc/36/96/29/168369629.db2.gz JHQRLGKCLAISKY-LBPRGKRZSA-N 2 2 241.379 1.103 10 0 BDAELP CCC(CC)[N@@H+](C)CC[C@H]([NH2+]C1CC1)C(N)=O ZINC000062448890 168369631 /nfs/dbraw/zinc/36/96/31/168369631.db2.gz JHQRLGKCLAISKY-LBPRGKRZSA-N 2 2 241.379 1.103 10 0 BDAELP CCCCNc1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000259016348 342821847 /nfs/dbraw/zinc/82/18/47/342821847.db2.gz RSZQVKBUNTUOKR-UHFFFAOYSA-N 2 2 235.335 1.098 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948202 538982144 /nfs/dbraw/zinc/98/21/44/538982144.db2.gz RVHQSAAZNXSOJS-WNYYMSAVSA-N 2 2 212.337 1.094 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948202 538982145 /nfs/dbraw/zinc/98/21/45/538982145.db2.gz RVHQSAAZNXSOJS-WNYYMSAVSA-N 2 2 212.337 1.094 10 0 BDAELP CCOC1CC([NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000381458976 539001137 /nfs/dbraw/zinc/00/11/37/539001137.db2.gz KJKZNWBUFWMUOD-IKWCTNDRSA-N 2 2 226.364 1.484 10 0 BDAELP CCOC1CC([NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000381458976 539001138 /nfs/dbraw/zinc/00/11/38/539001138.db2.gz KJKZNWBUFWMUOD-IKWCTNDRSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCCOC)[C@@H](C)C1 ZINC000390505590 539022937 /nfs/dbraw/zinc/02/29/37/539022937.db2.gz WTYFIZSWNQHWMK-AVGNSLFASA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCCOC)[C@@H](C)C1 ZINC000390505590 539022939 /nfs/dbraw/zinc/02/29/39/539022939.db2.gz WTYFIZSWNQHWMK-AVGNSLFASA-N 2 2 228.380 1.731 10 0 BDAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000038809159 342878936 /nfs/dbraw/zinc/87/89/36/342878936.db2.gz CBAVEHWFULWVRR-LLVKDONJSA-N 2 2 245.282 1.354 10 0 BDAELP C[N@H+]([C@@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000043501388 343098455 /nfs/dbraw/zinc/09/84/55/343098455.db2.gz HYAQEMZWGSOUSM-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP C[N@@H+]([C@@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000043501388 343098456 /nfs/dbraw/zinc/09/84/56/343098456.db2.gz HYAQEMZWGSOUSM-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CC(C)(C)O ZINC000049555769 343111613 /nfs/dbraw/zinc/11/16/13/343111613.db2.gz FKZNREDMIWSGHT-NSHDSACASA-N 2 2 216.369 1.323 10 0 BDAELP CC[C@@H](COC)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000070624205 343335849 /nfs/dbraw/zinc/33/58/49/343335849.db2.gz MGUQWTFCXPKLAE-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP CC[C@@H](COC)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000070624205 343335851 /nfs/dbraw/zinc/33/58/51/343335851.db2.gz MGUQWTFCXPKLAE-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP C[C@@H](c1nccs1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000083143903 343478021 /nfs/dbraw/zinc/47/80/21/343478021.db2.gz VNCJIMQMOZVXLJ-VHSXEESVSA-N 2 2 225.361 1.875 10 0 BDAELP C[C@@H](c1nccs1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000083143903 343478025 /nfs/dbraw/zinc/47/80/25/343478025.db2.gz VNCJIMQMOZVXLJ-VHSXEESVSA-N 2 2 225.361 1.875 10 0 BDAELP CC(=[NH2+])N1CC[NH+](Cc2ccccc2)CC1 ZINC000062987099 349865341 /nfs/dbraw/zinc/86/53/41/349865341.db2.gz NLYSQXRIXNZADA-UHFFFAOYSA-N 2 2 217.316 1.801 10 0 BDAELP Cc1nc(N2CC[NH2+]CC2)cc(CC2CC2)[nH+]1 ZINC000409430060 343807279 /nfs/dbraw/zinc/80/72/79/343807279.db2.gz KPUNKLSXMIXYAQ-UHFFFAOYSA-N 2 2 232.331 1.147 10 0 BDAELP C[C@@H]1SCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000220635562 344562069 /nfs/dbraw/zinc/56/20/69/344562069.db2.gz BTGXVPCMGZRSQM-DCAQKATOSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1SCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000220635562 344562070 /nfs/dbraw/zinc/56/20/70/344562070.db2.gz BTGXVPCMGZRSQM-DCAQKATOSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000625977042 344642591 /nfs/dbraw/zinc/64/25/91/344642591.db2.gz WXMAGSMYXOJRBD-RXGFPQBGSA-N 2 2 226.364 1.482 10 0 BDAELP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000625977042 344642593 /nfs/dbraw/zinc/64/25/93/344642593.db2.gz WXMAGSMYXOJRBD-RXGFPQBGSA-N 2 2 226.364 1.482 10 0 BDAELP C1C[C@@H]([N@@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)CS1 ZINC000221359216 344734481 /nfs/dbraw/zinc/73/44/81/344734481.db2.gz LJIXFYUVSQOBFD-MXWKQRLJSA-N 2 2 212.362 1.176 10 0 BDAELP C1C[C@@H]([N@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)CS1 ZINC000221359216 344734483 /nfs/dbraw/zinc/73/44/83/344734483.db2.gz LJIXFYUVSQOBFD-MXWKQRLJSA-N 2 2 212.362 1.176 10 0 BDAELP C[NH+](C)CC[C@]1(C)[NH2+]CCc2occc21 ZINC000715209961 537868925 /nfs/dbraw/zinc/86/89/25/537868925.db2.gz WIOOQJMDKYEQCQ-LBPRGKRZSA-N 2 2 208.305 1.592 10 0 BDAELP C[NH+](C)CC[C@@]1(C)[NH2+]CCc2occc21 ZINC000715209958 537869149 /nfs/dbraw/zinc/86/91/49/537869149.db2.gz WIOOQJMDKYEQCQ-GFCCVEGCSA-N 2 2 208.305 1.592 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cscc1Br ZINC000044476954 345090862 /nfs/dbraw/zinc/09/08/62/345090862.db2.gz GEVZBYHRIOSVKZ-LURJTMIESA-N 2 2 221.123 1.469 10 0 BDAELP Cc1c(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cnn1C ZINC000634997779 345195466 /nfs/dbraw/zinc/19/54/66/345195466.db2.gz SJHIAOYPHNUAIL-CYBMUJFWSA-N 2 2 236.363 1.432 10 0 BDAELP Cc1c(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cnn1C ZINC000634997779 345195468 /nfs/dbraw/zinc/19/54/68/345195468.db2.gz SJHIAOYPHNUAIL-CYBMUJFWSA-N 2 2 236.363 1.432 10 0 BDAELP COc1cc(C)[nH+]c(CN2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000634999009 345199302 /nfs/dbraw/zinc/19/93/02/345199302.db2.gz OOKBIERIPDMKPH-CMPLNLGQSA-N 2 2 249.358 1.425 10 0 BDAELP C[NH+]1CCN(c2[nH+]ccc3ccc(N)cc32)CC1 ZINC000082753785 345738208 /nfs/dbraw/zinc/73/82/08/345738208.db2.gz IUMWRNTXTBKDJU-UHFFFAOYSA-N 2 2 242.326 1.569 10 0 BDAELP [NH3+]Cc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CC2 ZINC000034894404 345845769 /nfs/dbraw/zinc/84/57/69/345845769.db2.gz LCXFTSOVXHCSOR-UHFFFAOYSA-N 2 2 228.299 1.431 10 0 BDAELP [NH3+]Cc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CC2 ZINC000034894404 345845770 /nfs/dbraw/zinc/84/57/70/345845770.db2.gz LCXFTSOVXHCSOR-UHFFFAOYSA-N 2 2 228.299 1.431 10 0 BDAELP C[C@@H](c1cccc2ncccc21)[C@@H]([NH3+])C[NH3+] ZINC000141796589 345861121 /nfs/dbraw/zinc/86/11/21/345861121.db2.gz WGOAVGXHEPZJMZ-CABZTGNLSA-N 2 2 215.300 1.624 10 0 BDAELP [NH3+]C[C@H]1C[NH2+]C[C@H](C[NH+]2CCCCCC2)C1 ZINC000669378991 537972806 /nfs/dbraw/zinc/97/28/06/537972806.db2.gz RQQFAFSFTIVENT-QWHCGFSZSA-N 3 2 225.380 1.047 10 0 BDAELP Cc1cccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)n1 ZINC000051577680 179080185 /nfs/dbraw/zinc/08/01/85/179080185.db2.gz PUDCBASKJLEUJB-NSHDSACASA-N 2 2 219.332 1.574 10 0 BDAELP Cc1cccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)n1 ZINC000051577680 179080189 /nfs/dbraw/zinc/08/01/89/179080189.db2.gz PUDCBASKJLEUJB-NSHDSACASA-N 2 2 219.332 1.574 10 0 BDAELP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])OC(C)(C)C2)c1 ZINC000011886503 179081179 /nfs/dbraw/zinc/08/11/79/179081179.db2.gz CAJJANKXGOJBCM-CQSZACIVSA-N 2 2 248.370 1.933 10 0 BDAELP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])OC(C)(C)C2)c1 ZINC000011886503 179081181 /nfs/dbraw/zinc/08/11/81/179081181.db2.gz CAJJANKXGOJBCM-CQSZACIVSA-N 2 2 248.370 1.933 10 0 BDAELP Cn1cc[nH+]c1-c1cc(C[NH3+])ccc1N ZINC000669380061 537985636 /nfs/dbraw/zinc/98/56/36/537985636.db2.gz HEWWOJLBXQQYDF-UHFFFAOYSA-N 2 2 202.261 1.128 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CC[C@H](O)C2)c1 ZINC000061709790 179198980 /nfs/dbraw/zinc/19/89/80/179198980.db2.gz JDFNEKQZGBFYFL-STQMWFEESA-N 2 2 220.316 1.061 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CC[C@H](O)C2)c1 ZINC000061709790 179198983 /nfs/dbraw/zinc/19/89/83/179198983.db2.gz JDFNEKQZGBFYFL-STQMWFEESA-N 2 2 220.316 1.061 10 0 BDAELP Cc1cccc2c1OCCC[C@@H]2[NH2+]CC[NH3+] ZINC000037713006 179221446 /nfs/dbraw/zinc/22/14/46/179221446.db2.gz WLZIFIMHPDTAEA-LBPRGKRZSA-N 2 2 220.316 1.757 10 0 BDAELP [NH3+]C[C@H](n1cc[nH+]c1)C(F)(F)C(F)(F)F ZINC000616568671 347450094 /nfs/dbraw/zinc/45/00/94/347450094.db2.gz DKSOGNXLGMBKQO-YFKPBYRVSA-N 2 2 229.152 1.581 10 0 BDAELP Cc1ccccc1[C@@H]([NH3+])Cn1cc[nH+]c1 ZINC000023069748 179324505 /nfs/dbraw/zinc/32/45/05/179324505.db2.gz JQSJKFJXMGWABY-LBPRGKRZSA-N 2 2 201.273 1.892 10 0 BDAELP COC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246164390 349094657 /nfs/dbraw/zinc/09/46/57/349094657.db2.gz DPYOCDNTDIEKOG-JHJVBQTASA-N 2 2 228.380 1.587 10 0 BDAELP COC[C@H](C)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246164390 349094661 /nfs/dbraw/zinc/09/46/61/349094661.db2.gz DPYOCDNTDIEKOG-JHJVBQTASA-N 2 2 228.380 1.587 10 0 BDAELP C1CC12[C@H]([NH2+]C1CCC1)C1CC[NH+]2CC1 ZINC000616576847 349097373 /nfs/dbraw/zinc/09/73/73/349097373.db2.gz FXGKXEXVIBMRKQ-GFCCVEGCSA-N 2 2 206.333 1.755 10 0 BDAELP Cc1[nH+]c2cccc(Cl)n2c1CC[NH3+] ZINC000074374825 180100555 /nfs/dbraw/zinc/10/05/55/180100555.db2.gz WVTFUKSYRYCADW-UHFFFAOYSA-N 2 2 209.680 1.797 10 0 BDAELP Cc1[nH+]c2ccccc2n1CCC(N)=[NH2+] ZINC000019436702 180104391 /nfs/dbraw/zinc/10/43/91/180104391.db2.gz LVOLOSSOJYDJNI-UHFFFAOYSA-N 2 2 202.261 1.671 10 0 BDAELP Cc1[nH+]c[nH]c1C[NH2+]Cc1ccnc(C)n1 ZINC000054796914 180190173 /nfs/dbraw/zinc/19/01/73/180190173.db2.gz MGDKSOJWVNGKON-UHFFFAOYSA-N 2 2 217.276 1.106 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074267 180250458 /nfs/dbraw/zinc/25/04/58/180250458.db2.gz AROQWMRQOPSLPX-CYBMUJFWSA-N 3 2 236.363 1.252 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070074267 180250460 /nfs/dbraw/zinc/25/04/60/180250460.db2.gz AROQWMRQOPSLPX-CYBMUJFWSA-N 3 2 236.363 1.252 10 0 BDAELP Cc1[nH+]ccn1CC[NH2+]CC(C)(C)C[NH+](C)C ZINC000049329762 180260863 /nfs/dbraw/zinc/26/08/63/180260863.db2.gz FCZRRRWETGTMJJ-UHFFFAOYSA-N 3 2 238.379 1.369 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ncc[nH]1 ZINC000178755557 180265322 /nfs/dbraw/zinc/26/53/22/180265322.db2.gz HYKKWIQRHLJMQW-LBPRGKRZSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ncc[nH]1 ZINC000178755557 180265323 /nfs/dbraw/zinc/26/53/23/180265323.db2.gz HYKKWIQRHLJMQW-LBPRGKRZSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCO ZINC000178292859 180266325 /nfs/dbraw/zinc/26/63/25/180266325.db2.gz QIAQGWBYKRMFHM-LBPRGKRZSA-N 2 2 223.320 1.038 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCO ZINC000178292859 180266326 /nfs/dbraw/zinc/26/63/26/180266326.db2.gz QIAQGWBYKRMFHM-LBPRGKRZSA-N 2 2 223.320 1.038 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000308112856 350521034 /nfs/dbraw/zinc/52/10/34/350521034.db2.gz QYEZPTNIQOPFCZ-ABRRARGCSA-N 2 2 202.729 1.813 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000308112856 350521039 /nfs/dbraw/zinc/52/10/39/350521039.db2.gz QYEZPTNIQOPFCZ-ABRRARGCSA-N 2 2 202.729 1.813 10 0 BDAELP CC(C)[N@@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616595457 350608080 /nfs/dbraw/zinc/60/80/80/350608080.db2.gz VQNHZNHIOVZJAP-LLVKDONJSA-N 2 2 209.293 1.512 10 0 BDAELP CC(C)[N@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616595457 350608084 /nfs/dbraw/zinc/60/80/84/350608084.db2.gz VQNHZNHIOVZJAP-LLVKDONJSA-N 2 2 209.293 1.512 10 0 BDAELP CNc1ccc([C@H]2CC[N@H+](CC[NH3+])CCO2)cc1 ZINC000616595726 350610826 /nfs/dbraw/zinc/61/08/26/350610826.db2.gz PAIAFQBLKNYFBP-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@H]2CC[N@@H+](CC[NH3+])CCO2)cc1 ZINC000616595726 350610828 /nfs/dbraw/zinc/61/08/28/350610828.db2.gz PAIAFQBLKNYFBP-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@@H]2CCOCC[N@@H+]2CC[NH3+])cc1 ZINC000616597232 350647608 /nfs/dbraw/zinc/64/76/08/350647608.db2.gz GJZJEQDRQAKIDZ-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@@H]2CCOCC[N@H+]2CC[NH3+])cc1 ZINC000616597232 350647609 /nfs/dbraw/zinc/64/76/09/350647609.db2.gz GJZJEQDRQAKIDZ-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](C(F)(F)F)CC1 ZINC000616602334 350790912 /nfs/dbraw/zinc/79/09/12/350790912.db2.gz ZOBJWKYRHDCGIJ-QMMMGPOBSA-N 2 2 210.243 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](C(F)(F)F)CC1 ZINC000616602334 350790913 /nfs/dbraw/zinc/79/09/13/350790913.db2.gz ZOBJWKYRHDCGIJ-QMMMGPOBSA-N 2 2 210.243 1.610 10 0 BDAELP CC(=O)Nc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616606414 350797504 /nfs/dbraw/zinc/79/75/04/350797504.db2.gz ALLSKWTVPIXYOO-CQSZACIVSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616606414 350797507 /nfs/dbraw/zinc/79/75/07/350797507.db2.gz ALLSKWTVPIXYOO-CQSZACIVSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616606690 350798389 /nfs/dbraw/zinc/79/83/89/350798389.db2.gz DLBGSHRVGURUFA-CQSZACIVSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616606690 350798393 /nfs/dbraw/zinc/79/83/93/350798393.db2.gz DLBGSHRVGURUFA-CQSZACIVSA-N 2 2 247.342 1.741 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc3cnccc3c2)C1 ZINC000616611233 350809961 /nfs/dbraw/zinc/80/99/61/350809961.db2.gz BMXYBHCMKXBAAL-HNNXBMFYSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc3cnccc3c2)C1 ZINC000616611233 350809964 /nfs/dbraw/zinc/80/99/64/350809964.db2.gz BMXYBHCMKXBAAL-HNNXBMFYSA-N 2 2 241.338 1.983 10 0 BDAELP C[C@H]1CC[C@]1(C[NH3+])[NH+]1CCSCC1 ZINC000306704348 350852023 /nfs/dbraw/zinc/85/20/23/350852023.db2.gz DVCIGJOCNLQLNT-VHSXEESVSA-N 2 2 200.351 1.163 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc(CO)cc1 ZINC000616616723 350855932 /nfs/dbraw/zinc/85/59/32/350855932.db2.gz VQJNKHFBKROSIZ-AWEZNQCLSA-N 2 2 234.343 1.665 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc(CO)cc1 ZINC000616616723 350855935 /nfs/dbraw/zinc/85/59/35/350855935.db2.gz VQJNKHFBKROSIZ-AWEZNQCLSA-N 2 2 234.343 1.665 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000252981003 350918117 /nfs/dbraw/zinc/91/81/17/350918117.db2.gz PFCAQOCCFCFEBA-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000252981003 350918119 /nfs/dbraw/zinc/91/81/19/350918119.db2.gz PFCAQOCCFCFEBA-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccc2CO)CC1 ZINC000616629968 351101522 /nfs/dbraw/zinc/10/15/22/351101522.db2.gz XDNMCDFDGHGXEV-ZDUSSCGKSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccccc2CO)CC1 ZINC000616629968 351101523 /nfs/dbraw/zinc/10/15/23/351101523.db2.gz XDNMCDFDGHGXEV-ZDUSSCGKSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccc3ccncc32)C1 ZINC000616626724 351106969 /nfs/dbraw/zinc/10/69/69/351106969.db2.gz WNCHEKMFYCUDGI-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccc3ccncc32)C1 ZINC000616626724 351106973 /nfs/dbraw/zinc/10/69/73/351106973.db2.gz WNCHEKMFYCUDGI-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CCN1CCCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000616624763 351093047 /nfs/dbraw/zinc/09/30/47/351093047.db2.gz RDLZNFRCHZDCOD-SNVBAGLBSA-N 2 2 208.309 1.286 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000232004813 351507587 /nfs/dbraw/zinc/50/75/87/351507587.db2.gz WZXQPJWYQRGATC-MBACFSSFSA-N 2 2 202.729 1.942 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000232004813 351507591 /nfs/dbraw/zinc/50/75/91/351507591.db2.gz WZXQPJWYQRGATC-MBACFSSFSA-N 2 2 202.729 1.942 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CC[NH2+]CC[C@H]1C ZINC000232014483 351528598 /nfs/dbraw/zinc/52/85/98/351528598.db2.gz YBBRRGXZSIIKJF-TTZKWOQHSA-N 2 2 202.729 1.813 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC000232014483 351528600 /nfs/dbraw/zinc/52/86/00/351528600.db2.gz YBBRRGXZSIIKJF-TTZKWOQHSA-N 2 2 202.729 1.813 10 0 BDAELP [NH3+][C@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000307233608 351702224 /nfs/dbraw/zinc/70/22/24/351702224.db2.gz FBBLVOFUQWHXCO-VIFPVBQESA-N 2 2 204.264 1.455 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000307233608 351702225 /nfs/dbraw/zinc/70/22/25/351702225.db2.gz FBBLVOFUQWHXCO-VIFPVBQESA-N 2 2 204.264 1.455 10 0 BDAELP C[C@H]1CC[C@]2(C[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000307240257 351733046 /nfs/dbraw/zinc/73/30/46/351733046.db2.gz GVSAPYQNFPJWHO-WPRPVWTQSA-N 2 2 200.351 1.570 10 0 BDAELP NC(=[NH2+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000307257854 351796100 /nfs/dbraw/zinc/79/61/00/351796100.db2.gz BLGVOGZEKYTRCM-LBPRGKRZSA-N 2 2 217.316 1.977 10 0 BDAELP NC(=[NH2+])[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000307257854 351796102 /nfs/dbraw/zinc/79/61/02/351796102.db2.gz BLGVOGZEKYTRCM-LBPRGKRZSA-N 2 2 217.316 1.977 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CS1 ZINC000307332171 352047886 /nfs/dbraw/zinc/04/78/86/352047886.db2.gz CEBWICPIKXPZKB-UTLUCORTSA-N 2 2 200.351 1.222 10 0 BDAELP CC1(C)C[N@H+](C/C=C/Cl)CC[C@H]1[NH3+] ZINC000307387172 352547619 /nfs/dbraw/zinc/54/76/19/352547619.db2.gz METUZBKWTYAWGG-HYYFJVDXSA-N 2 2 202.729 1.798 10 0 BDAELP CC1(C)C[N@@H+](C/C=C/Cl)CC[C@H]1[NH3+] ZINC000307387172 352547622 /nfs/dbraw/zinc/54/76/22/352547622.db2.gz METUZBKWTYAWGG-HYYFJVDXSA-N 2 2 202.729 1.798 10 0 BDAELP C[C@H]([NH3+])[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000307628937 352705917 /nfs/dbraw/zinc/70/59/17/352705917.db2.gz MRNHIVJCNPPTDQ-IUCAKERBSA-N 2 2 210.346 1.842 10 0 BDAELP C[C@H]([NH3+])[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000307628937 352705919 /nfs/dbraw/zinc/70/59/19/352705919.db2.gz MRNHIVJCNPPTDQ-IUCAKERBSA-N 2 2 210.346 1.842 10 0 BDAELP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc[nH]n2)CC1 ZINC000037906947 188114727 /nfs/dbraw/zinc/11/47/27/188114727.db2.gz RDARXCNYXHWUHE-NSHDSACASA-N 2 2 236.363 1.933 10 0 BDAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1cnn(C)c1 ZINC000042580563 188120795 /nfs/dbraw/zinc/12/07/95/188120795.db2.gz CKTIGDJVNICJCD-CYBMUJFWSA-N 2 2 236.363 1.540 10 0 BDAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1cnn(C)c1 ZINC000042580563 188120797 /nfs/dbraw/zinc/12/07/97/188120797.db2.gz CKTIGDJVNICJCD-CYBMUJFWSA-N 2 2 236.363 1.540 10 0 BDAELP CC(C)C[C@@H]1CSC(N[C@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000042548632 188121037 /nfs/dbraw/zinc/12/10/37/188121037.db2.gz DJTHONPEXRGUAA-WDEREUQCSA-N 2 2 241.404 1.798 10 0 BDAELP CC(C)C[C@@H]1CSC(N[C@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000042548632 188121040 /nfs/dbraw/zinc/12/10/40/188121040.db2.gz DJTHONPEXRGUAA-WDEREUQCSA-N 2 2 241.404 1.798 10 0 BDAELP C[N@@H+]1CCC[C@@H](CNc2ccc(N)c[nH+]2)C1 ZINC000044535757 188123497 /nfs/dbraw/zinc/12/34/97/188123497.db2.gz JWGKIKRSYVHIJD-JTQLQIEISA-N 2 2 220.320 1.418 10 0 BDAELP C[N@H+]1CCC[C@@H](CNc2ccc(N)c[nH+]2)C1 ZINC000044535757 188123499 /nfs/dbraw/zinc/12/34/99/188123499.db2.gz JWGKIKRSYVHIJD-JTQLQIEISA-N 2 2 220.320 1.418 10 0 BDAELP C([C@H]1CSCCC[NH2+]1)[NH+]1CCCC1 ZINC000077101495 188135078 /nfs/dbraw/zinc/13/50/78/188135078.db2.gz MVRQYXDJZGVVRQ-JTQLQIEISA-N 2 2 200.351 1.177 10 0 BDAELP CC(C)[C@@](C)(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000041053670 188149974 /nfs/dbraw/zinc/14/99/74/188149974.db2.gz SIPRAASABBSZCH-GFCCVEGCSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)[C@@](C)(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000041053670 188149976 /nfs/dbraw/zinc/14/99/76/188149976.db2.gz SIPRAASABBSZCH-GFCCVEGCSA-N 2 2 214.353 1.471 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000132491117 353383810 /nfs/dbraw/zinc/38/38/10/353383810.db2.gz JVDWBMOZCXWAAW-VHSXEESVSA-N 2 2 216.394 1.810 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000132491117 353383814 /nfs/dbraw/zinc/38/38/14/353383814.db2.gz JVDWBMOZCXWAAW-VHSXEESVSA-N 2 2 216.394 1.810 10 0 BDAELP CC[C@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@H]1[NH3+] ZINC000398984933 353421434 /nfs/dbraw/zinc/42/14/34/353421434.db2.gz HPFXUYVBZSXGHM-WCQYABFASA-N 2 2 244.342 1.825 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@@H+]1C ZINC000129593520 353740496 /nfs/dbraw/zinc/74/04/96/353740496.db2.gz GKRKYGYATPRCTO-DGCLKSJQSA-N 2 2 204.317 1.869 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)C[N@H+]1C ZINC000129593520 353740497 /nfs/dbraw/zinc/74/04/97/353740497.db2.gz GKRKYGYATPRCTO-DGCLKSJQSA-N 2 2 204.317 1.869 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC000308115812 354016597 /nfs/dbraw/zinc/01/65/97/354016597.db2.gz YBBRRGXZSIIKJF-RNKPRXRFSA-N 2 2 202.729 1.813 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC000308115812 354016601 /nfs/dbraw/zinc/01/66/01/354016601.db2.gz YBBRRGXZSIIKJF-RNKPRXRFSA-N 2 2 202.729 1.813 10 0 BDAELP CC(C)CCOCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232567348 363376445 /nfs/dbraw/zinc/37/64/45/363376445.db2.gz UQLOBSZIVYAOOG-RYUDHWBXSA-N 2 2 214.353 1.328 10 0 BDAELP CC(C)CCOCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232567348 363376447 /nfs/dbraw/zinc/37/64/47/363376447.db2.gz UQLOBSZIVYAOOG-RYUDHWBXSA-N 2 2 214.353 1.328 10 0 BDAELP CCCCOCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232988392 363391133 /nfs/dbraw/zinc/39/11/33/363391133.db2.gz GTEAZGCJQKUYOP-QWRGUYRKSA-N 2 2 200.326 1.082 10 0 BDAELP CCCCOCC[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232988392 363391138 /nfs/dbraw/zinc/39/11/38/363391138.db2.gz GTEAZGCJQKUYOP-QWRGUYRKSA-N 2 2 200.326 1.082 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC000639266650 355324717 /nfs/dbraw/zinc/32/47/17/355324717.db2.gz KVYFXPVOYOPTSL-UONOGXRCSA-N 2 2 240.391 1.875 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC000639266650 355324719 /nfs/dbraw/zinc/32/47/19/355324719.db2.gz KVYFXPVOYOPTSL-UONOGXRCSA-N 2 2 240.391 1.875 10 0 BDAELP NC(=[NH2+])C[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000083333041 181186370 /nfs/dbraw/zinc/18/63/70/181186370.db2.gz VSNXMVSTZKVJDK-LBPRGKRZSA-N 2 2 233.315 1.213 10 0 BDAELP NC(=[NH2+])C[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC000083333041 181186372 /nfs/dbraw/zinc/18/63/72/181186372.db2.gz VSNXMVSTZKVJDK-LBPRGKRZSA-N 2 2 233.315 1.213 10 0 BDAELP NC(=[NH2+])c1cccc(CCc2c[nH]c[nH+]2)c1 ZINC000026377269 181196253 /nfs/dbraw/zinc/19/62/53/181196253.db2.gz RZRFLWGZONKLLU-UHFFFAOYSA-N 2 2 214.272 1.479 10 0 BDAELP NC(=[NH2+])c1cccc(CCc2c[nH+]c[nH]2)c1 ZINC000026377269 181196256 /nfs/dbraw/zinc/19/62/56/181196256.db2.gz RZRFLWGZONKLLU-UHFFFAOYSA-N 2 2 214.272 1.479 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335830025 355556007 /nfs/dbraw/zinc/55/60/07/355556007.db2.gz HZLLMVJSDYBCJM-RYUDHWBXSA-N 2 2 236.363 1.633 10 0 BDAELP CC(C)n1ccnc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335830025 355556011 /nfs/dbraw/zinc/55/60/11/355556011.db2.gz HZLLMVJSDYBCJM-RYUDHWBXSA-N 2 2 236.363 1.633 10 0 BDAELP CC(C)n1ccnc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000335830025 355556014 /nfs/dbraw/zinc/55/60/14/355556014.db2.gz HZLLMVJSDYBCJM-RYUDHWBXSA-N 2 2 236.363 1.633 10 0 BDAELP Cc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cc1F ZINC000675078127 538514734 /nfs/dbraw/zinc/51/47/34/538514734.db2.gz MSJAZTCWMCFQPE-LLVKDONJSA-N 2 2 206.264 1.448 10 0 BDAELP COc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)s1 ZINC000675079384 538517203 /nfs/dbraw/zinc/51/72/03/538517203.db2.gz YFRYUBDZPHEIRE-MRVPVSSYSA-N 2 2 210.302 1.071 10 0 BDAELP Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)nc[nH+]1 ZINC000389716788 357018876 /nfs/dbraw/zinc/01/88/76/357018876.db2.gz AMDWENGWMDALJE-SCZZXKLOSA-N 2 2 206.293 1.195 10 0 BDAELP CC1CC[NH+]([C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948239 538890010 /nfs/dbraw/zinc/89/00/10/538890010.db2.gz CPSHMAPKZNDMOQ-QWRGUYRKSA-N 2 2 200.301 1.418 10 0 BDAELP CC[N@H+](CC(C)C)[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948438 538890727 /nfs/dbraw/zinc/89/07/27/538890727.db2.gz NYSOCVSXRGUBIP-QWRGUYRKSA-N 2 2 202.317 1.664 10 0 BDAELP CC[N@@H+](CC(C)C)[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948438 538890729 /nfs/dbraw/zinc/89/07/29/538890729.db2.gz NYSOCVSXRGUBIP-QWRGUYRKSA-N 2 2 202.317 1.664 10 0 BDAELP Nc1cccc(C2=CC[C@]3(C[C@@H]3[NH3+])CC2)[nH+]1 ZINC000685950790 538894323 /nfs/dbraw/zinc/89/43/23/538894323.db2.gz ZDSOYLCFSNJZPT-WCQYABFASA-N 2 2 215.300 1.949 10 0 BDAELP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1csnn1 ZINC000398245643 357870037 /nfs/dbraw/zinc/87/00/37/357870037.db2.gz RXWFVXMXYWCQHG-IUCAKERBSA-N 2 2 226.349 1.188 10 0 BDAELP CCn1cc[nH+]c1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000231465157 358419575 /nfs/dbraw/zinc/41/95/75/358419575.db2.gz SSWJVDHHWJFTRD-LBPRGKRZSA-N 2 2 236.363 1.477 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)NCc1[nH+]ccn1C ZINC000049555911 358694087 /nfs/dbraw/zinc/69/40/87/358694087.db2.gz BWEXBTIGIKCQRR-GFCCVEGCSA-N 2 2 238.379 1.486 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(F)CC2)C1 ZINC000308570105 491137093 /nfs/dbraw/zinc/13/70/93/491137093.db2.gz BTAWDDOGPBGJHA-NXEZZACHSA-N 2 2 200.301 1.418 10 0 BDAELP COCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246896289 359173870 /nfs/dbraw/zinc/17/38/70/359173870.db2.gz BHXSVHOIAOIOTQ-NWDGAFQWSA-N 2 2 223.320 1.412 10 0 BDAELP COCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246896289 359173876 /nfs/dbraw/zinc/17/38/76/359173876.db2.gz BHXSVHOIAOIOTQ-NWDGAFQWSA-N 2 2 223.320 1.412 10 0 BDAELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cscn1 ZINC000306206074 359295504 /nfs/dbraw/zinc/29/55/04/359295504.db2.gz PKXRWRKVZBPPGS-PSASIEDQSA-N 2 2 211.334 1.231 10 0 BDAELP COC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000151847979 201186291 /nfs/dbraw/zinc/18/62/91/201186291.db2.gz XMVJPTFBBLXTJR-SRVKXCTJSA-N 2 2 214.353 1.340 10 0 BDAELP COC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000151847979 201186295 /nfs/dbraw/zinc/18/62/95/201186295.db2.gz XMVJPTFBBLXTJR-SRVKXCTJSA-N 2 2 214.353 1.340 10 0 BDAELP CO[C@H]1C[N@H+](CCc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630368089 364084616 /nfs/dbraw/zinc/08/46/16/364084616.db2.gz QGNMQXIMOVUNMS-KGLIPLIRSA-N 2 2 249.358 1.062 10 0 BDAELP CO[C@H]1C[N@@H+](CCc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630368089 364084625 /nfs/dbraw/zinc/08/46/25/364084625.db2.gz QGNMQXIMOVUNMS-KGLIPLIRSA-N 2 2 249.358 1.062 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cncc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364081 364083219 /nfs/dbraw/zinc/08/32/19/364083219.db2.gz CMPMYPOVNQWSOC-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364081 364083222 /nfs/dbraw/zinc/08/32/22/364083222.db2.gz CMPMYPOVNQWSOC-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccc(C)nc2)[C@](C)(C[NH3+])C1 ZINC000630366331 364086301 /nfs/dbraw/zinc/08/63/01/364086301.db2.gz KCXWXQYJUCFVCG-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccc(C)nc2)[C@](C)(C[NH3+])C1 ZINC000630366331 364086302 /nfs/dbraw/zinc/08/63/02/364086302.db2.gz KCXWXQYJUCFVCG-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP [NH3+]CC1([NH+]2CCOCC2)CCCCCCC1 ZINC000019483581 181360800 /nfs/dbraw/zinc/36/08/00/181360800.db2.gz LMHFZAUWIYJWBJ-UHFFFAOYSA-N 2 2 226.364 1.760 10 0 BDAELP [NH3+]CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000037712739 364543896 /nfs/dbraw/zinc/54/38/96/364543896.db2.gz XZFZZKSQVNTABY-AWEZNQCLSA-N 2 2 233.359 1.199 10 0 BDAELP [NH3+]CCC[C@H]1CCCN1c1cccc[nH+]1 ZINC000082594032 181385759 /nfs/dbraw/zinc/38/57/59/181385759.db2.gz DQNVGBSPCZRQQF-NSHDSACASA-N 2 2 205.305 1.789 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000576044404 365460981 /nfs/dbraw/zinc/46/09/81/365460981.db2.gz SGBPNIYXXACTFP-MVWJERBFSA-N 2 2 235.331 1.406 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000576044404 365460989 /nfs/dbraw/zinc/46/09/89/365460989.db2.gz SGBPNIYXXACTFP-MVWJERBFSA-N 2 2 235.331 1.406 10 0 BDAELP [NH3+]Cc1nc(C[NH+]2CCCCCC2)cs1 ZINC000032015107 541501225 /nfs/dbraw/zinc/50/12/25/541501225.db2.gz YOECCPJYMVDKDV-UHFFFAOYSA-N 2 2 225.361 1.978 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CS[C@H](C)C2)C1 ZINC000252692059 367597847 /nfs/dbraw/zinc/59/78/47/367597847.db2.gz ZWHJYKRSSUPPRO-OPRDCNLKSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CS[C@H](C)C2)C1 ZINC000252692059 367597856 /nfs/dbraw/zinc/59/78/56/367597856.db2.gz ZWHJYKRSSUPPRO-OPRDCNLKSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1C[N@@H+]([C@H](C[NH3+])C2CC2)CCS1 ZINC000252978915 368176420 /nfs/dbraw/zinc/17/64/20/368176420.db2.gz FFVNHCJMHCXSPS-PSASIEDQSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1C[N@H+]([C@H](C[NH3+])C2CC2)CCS1 ZINC000252978915 368176426 /nfs/dbraw/zinc/17/64/26/368176426.db2.gz FFVNHCJMHCXSPS-PSASIEDQSA-N 2 2 200.351 1.161 10 0 BDAELP CCCc1noc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841962 369358634 /nfs/dbraw/zinc/35/86/34/369358634.db2.gz SJGHTHQZAIVVAC-ZJUUUORDSA-N 2 2 238.335 1.049 10 0 BDAELP CCCc1noc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841962 369358640 /nfs/dbraw/zinc/35/86/40/369358640.db2.gz SJGHTHQZAIVVAC-ZJUUUORDSA-N 2 2 238.335 1.049 10 0 BDAELP Cc1cc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)ccn1 ZINC000621776560 370524434 /nfs/dbraw/zinc/52/44/34/370524434.db2.gz ONLKCGPVGCIBDT-CABZTGNLSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)ccn1 ZINC000621776560 370524437 /nfs/dbraw/zinc/52/44/37/370524437.db2.gz ONLKCGPVGCIBDT-CABZTGNLSA-N 2 2 205.305 1.169 10 0 BDAELP C[C@H]1CC[NH2+][C@H]1C[NH+]1CCSCC1 ZINC000226855375 371752800 /nfs/dbraw/zinc/75/28/00/371752800.db2.gz UIVSPAVVMRBCRT-UWVGGRQHSA-N 2 2 200.351 1.033 10 0 BDAELP C[C@H]1SCC[N@H+](CC2([NH3+])CC2)[C@@H]1C ZINC000132489224 371835635 /nfs/dbraw/zinc/83/56/35/371835635.db2.gz NTNNFRURRBHVQK-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1SCC[N@@H+](CC2([NH3+])CC2)[C@@H]1C ZINC000132489224 371835639 /nfs/dbraw/zinc/83/56/39/371835639.db2.gz NTNNFRURRBHVQK-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1SCC[N@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C ZINC000132418957 371817108 /nfs/dbraw/zinc/81/71/08/371817108.db2.gz VKYNELDQTNXFGW-MXWKQRLJSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@H]1SCC[N@@H+](C[C@@H]2CCC[NH2+]2)[C@@H]1C ZINC000132418957 371817112 /nfs/dbraw/zinc/81/71/12/371817112.db2.gz VKYNELDQTNXFGW-MXWKQRLJSA-N 2 2 214.378 1.564 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CS[C@@H](C)C2)C1 ZINC000227666156 371918278 /nfs/dbraw/zinc/91/82/78/371918278.db2.gz ZWHJYKRSSUPPRO-AEJSXWLSSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CS[C@@H](C)C2)C1 ZINC000227666156 371918281 /nfs/dbraw/zinc/91/82/81/371918281.db2.gz ZWHJYKRSSUPPRO-AEJSXWLSSA-N 2 2 200.351 1.174 10 0 BDAELP CC[C@H]1C[N@@H+](C2(C[NH3+])CCC2)CCS1 ZINC000132960668 371958327 /nfs/dbraw/zinc/95/83/27/371958327.db2.gz JYPMFZSQVMWZOQ-JTQLQIEISA-N 2 2 214.378 1.695 10 0 BDAELP CC[C@H]1C[N@H+](C2(C[NH3+])CCC2)CCS1 ZINC000132960668 371958336 /nfs/dbraw/zinc/95/83/36/371958336.db2.gz JYPMFZSQVMWZOQ-JTQLQIEISA-N 2 2 214.378 1.695 10 0 BDAELP Cc1sc([C@H]([NH3+])C[NH3+])cc1Br ZINC000227862274 371949128 /nfs/dbraw/zinc/94/91/28/371949128.db2.gz IIXVAVYVUXIHDM-ZCFIWIBFSA-N 2 2 235.150 1.778 10 0 BDAELP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631838070 372620616 /nfs/dbraw/zinc/62/06/16/372620616.db2.gz ZSTCOJOJHVNIGY-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)no1 ZINC000631838070 372620619 /nfs/dbraw/zinc/62/06/19/372620619.db2.gz ZSTCOJOJHVNIGY-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000040502652 373359840 /nfs/dbraw/zinc/35/98/40/373359840.db2.gz JCMNPWKVKPKLDN-GFCCVEGCSA-N 2 2 228.405 1.956 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000040502652 373359847 /nfs/dbraw/zinc/35/98/47/373359847.db2.gz JCMNPWKVKPKLDN-GFCCVEGCSA-N 2 2 228.405 1.956 10 0 BDAELP Nc1cccc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000380644979 373410139 /nfs/dbraw/zinc/41/01/39/373410139.db2.gz MUMZYBODZOCDQZ-UHFFFAOYSA-N 2 2 219.332 1.407 10 0 BDAELP [NH3+][C@H]1CCCC[C@@H]1[NH+]1CCSCC1 ZINC000040989031 373977393 /nfs/dbraw/zinc/97/73/93/373977393.db2.gz XKYOTIQTLDCPEJ-UWVGGRQHSA-N 2 2 200.351 1.305 10 0 BDAELP O=C1NCC[C@@H]1[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328685593 183026450 /nfs/dbraw/zinc/02/64/50/183026450.db2.gz XPKJAEGMZZRHHY-RYUDHWBXSA-N 2 2 247.298 1.264 10 0 BDAELP O=C1NCC[C@@H]1[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328685593 183026453 /nfs/dbraw/zinc/02/64/53/183026453.db2.gz XPKJAEGMZZRHHY-RYUDHWBXSA-N 2 2 247.298 1.264 10 0 BDAELP CCC[N@H+](CC(=O)N(C)C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042424547 169093560 /nfs/dbraw/zinc/09/35/60/169093560.db2.gz IXQWWWFUKYURPW-RYUDHWBXSA-N 2 2 241.379 1.057 10 0 BDAELP CCC[N@@H+](CC(=O)N(C)C)[C@H]1CCCC[C@@H]1[NH3+] ZINC000042424547 169093562 /nfs/dbraw/zinc/09/35/62/169093562.db2.gz IXQWWWFUKYURPW-RYUDHWBXSA-N 2 2 241.379 1.057 10 0 BDAELP CCCN(CC[NH2+]C)Cc1cn2ccccc2[nH+]1 ZINC000042404121 169159870 /nfs/dbraw/zinc/15/98/70/169159870.db2.gz NNAGCSQEZDQOKQ-UHFFFAOYSA-N 2 2 246.358 1.766 10 0 BDAELP c1cc(OCC[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000051870852 183358944 /nfs/dbraw/zinc/35/89/44/183358944.db2.gz BYZRQPRIAHLWLS-LLVKDONJSA-N 2 2 206.289 1.993 10 0 BDAELP CCC[NH2+][C@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044472421 169285726 /nfs/dbraw/zinc/28/57/26/169285726.db2.gz DLGGOEDVGOYRTI-CYBMUJFWSA-N 3 2 241.423 1.648 10 0 BDAELP c1ccc(CC[NH2+][C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000019946269 183394598 /nfs/dbraw/zinc/39/45/98/183394598.db2.gz RYKDADOQKDFMEC-OAHLLOKOSA-N 2 2 230.355 1.913 10 0 BDAELP CCC[NH2+]Cc1nc2c(s1)C[N@H+](C)CC2 ZINC000053294574 169269450 /nfs/dbraw/zinc/26/94/50/169269450.db2.gz QXJWGXUOBIPWAX-UHFFFAOYSA-N 2 2 225.361 1.631 10 0 BDAELP CCC[NH2+]Cc1nc2c(s1)C[N@@H+](C)CC2 ZINC000053294574 169269451 /nfs/dbraw/zinc/26/94/51/169269451.db2.gz QXJWGXUOBIPWAX-UHFFFAOYSA-N 2 2 225.361 1.631 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@@H+]1CCO[C@H](C)C1 ZINC000053862064 169282284 /nfs/dbraw/zinc/28/22/84/169282284.db2.gz MUCQGGAWOISHPG-MGPQQGTHSA-N 2 2 240.391 1.875 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1C[N@H+]1CCO[C@H](C)C1 ZINC000053862064 169282285 /nfs/dbraw/zinc/28/22/85/169282285.db2.gz MUCQGGAWOISHPG-MGPQQGTHSA-N 2 2 240.391 1.875 10 0 BDAELP F[C@@H]1C[NH2+]CC[C@@H]1c1[nH+]ccc2[nH]ccc21 ZINC000089220699 383950014 /nfs/dbraw/zinc/95/00/14/383950014.db2.gz GPYLMZSBWKILCQ-WCBMZHEXSA-N 2 2 219.263 1.978 10 0 BDAELP CCn1cc[nH+]c1Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000302318256 384141418 /nfs/dbraw/zinc/14/14/18/384141418.db2.gz JGMVBOSVGMQSRU-GFCCVEGCSA-N 2 2 248.334 1.199 10 0 BDAELP CN(C[C@@H]1CCC[NH2+]C1)c1[nH+]cccc1O ZINC000095071092 384339298 /nfs/dbraw/zinc/33/92/98/384339298.db2.gz VGKSLDGMLGMNIL-SNVBAGLBSA-N 2 2 221.304 1.223 10 0 BDAELP CN(C[C@@H]1CCC[NH2+]C1)c1[nH]c2ccccc2[nH+]1 ZINC000095071120 384339378 /nfs/dbraw/zinc/33/93/78/384339378.db2.gz DJCXARHYAXJPAG-LLVKDONJSA-N 2 2 244.342 1.999 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000335642584 384414934 /nfs/dbraw/zinc/41/49/34/384414934.db2.gz FXQCDWZSVHZABQ-CMPLNLGQSA-N 2 2 205.305 1.312 10 0 BDAELP CC[C@H]([NH3+])C[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000141436064 384674242 /nfs/dbraw/zinc/67/42/42/384674242.db2.gz KEWAVIHAPYVGBK-RYUDHWBXSA-N 2 2 236.315 1.185 10 0 BDAELP Cc1ccc(N[C@H](C)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000334848672 384745447 /nfs/dbraw/zinc/74/54/47/384745447.db2.gz KESURLCBZSTPTD-GHMZBOCLSA-N 2 2 205.305 1.800 10 0 BDAELP Cc1ccc([C@H]([NH3+])C[NH3+])cc1Br ZINC000072201225 384816564 /nfs/dbraw/zinc/81/65/64/384816564.db2.gz HYDHBEFUAXBBRX-SECBINFHSA-N 2 2 229.121 1.716 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cncs1 ZINC000306573408 385094926 /nfs/dbraw/zinc/09/49/26/385094926.db2.gz ICKDOTHAMDSGPW-WCBMZHEXSA-N 2 2 211.334 1.373 10 0 BDAELP [NH3+]C[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1 ZINC000032628517 385175449 /nfs/dbraw/zinc/17/54/49/385175449.db2.gz UOCGLNOTFZZOEA-CHWSQXEVSA-N 2 2 202.301 1.610 10 0 BDAELP [NH3+]C[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000032628517 385175453 /nfs/dbraw/zinc/17/54/53/385175453.db2.gz UOCGLNOTFZZOEA-CHWSQXEVSA-N 2 2 202.301 1.610 10 0 BDAELP COC[C@@]12C[N@H+](CC(=[NH2+])NO)C[C@@H]1CCCC2 ZINC000409428908 385326981 /nfs/dbraw/zinc/32/69/81/385326981.db2.gz GYSWKIOTPULINP-CMPLNLGQSA-N 2 2 241.335 1.081 10 0 BDAELP COC[C@@]12C[N@@H+](CC(=[NH2+])NO)C[C@@H]1CCCC2 ZINC000409428908 385326985 /nfs/dbraw/zinc/32/69/85/385326985.db2.gz GYSWKIOTPULINP-CMPLNLGQSA-N 2 2 241.335 1.081 10 0 BDAELP C[C@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCCS2 ZINC000156984803 385479470 /nfs/dbraw/zinc/47/94/70/385479470.db2.gz JDOPQBNBZPLYHI-VHSXEESVSA-N 2 2 200.351 1.523 10 0 BDAELP C[C@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCCS2 ZINC000156984803 385479474 /nfs/dbraw/zinc/47/94/74/385479474.db2.gz JDOPQBNBZPLYHI-VHSXEESVSA-N 2 2 200.351 1.523 10 0 BDAELP CC(C)CC[N@H+](Cc1noc(C[NH3+])n1)C1CC1 ZINC000302298815 385509368 /nfs/dbraw/zinc/50/93/68/385509368.db2.gz DZEDWNVRPGPQQF-UHFFFAOYSA-N 2 2 238.335 1.539 10 0 BDAELP CC(C)CC[N@@H+](Cc1noc(C[NH3+])n1)C1CC1 ZINC000302298815 385509373 /nfs/dbraw/zinc/50/93/73/385509373.db2.gz DZEDWNVRPGPQQF-UHFFFAOYSA-N 2 2 238.335 1.539 10 0 BDAELP C[NH+](C)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000171925382 385534189 /nfs/dbraw/zinc/53/41/89/385534189.db2.gz JPDKKPLSJGGBAA-NSHDSACASA-N 2 2 232.331 1.494 10 0 BDAELP C[N@@H+]1C[C@@H]([NH2+]C2CSC2)CC1(C)C ZINC000575531461 385875073 /nfs/dbraw/zinc/87/50/73/385875073.db2.gz OFBPLZIPQQWHPR-QMMMGPOBSA-N 2 2 200.351 1.174 10 0 BDAELP C[N@H+]1C[C@@H]([NH2+]C2CSC2)CC1(C)C ZINC000575531461 385875077 /nfs/dbraw/zinc/87/50/77/385875077.db2.gz OFBPLZIPQQWHPR-QMMMGPOBSA-N 2 2 200.351 1.174 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310340628 386175475 /nfs/dbraw/zinc/17/54/75/386175475.db2.gz CQYSAPBXWQWHIY-ZWNOBZJWSA-N 2 2 235.331 1.511 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](CC[C@@H]2CCCC2=O)C1 ZINC000224496147 386142162 /nfs/dbraw/zinc/14/21/62/386142162.db2.gz NOLRCAMIIKMOOJ-WDEREUQCSA-N 2 2 210.321 1.169 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](CC[C@@H]2CCCC2=O)C1 ZINC000224496147 386142166 /nfs/dbraw/zinc/14/21/66/386142166.db2.gz NOLRCAMIIKMOOJ-WDEREUQCSA-N 2 2 210.321 1.169 10 0 BDAELP Nc1ccc(SC[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000051891149 386630814 /nfs/dbraw/zinc/63/08/14/386630814.db2.gz AVLIUSHNRLCKBW-MRVPVSSYSA-N 2 2 209.318 1.365 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000395429358 386833579 /nfs/dbraw/zinc/83/35/79/386833579.db2.gz KLZMMNTXWMRJIH-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000395429358 386833585 /nfs/dbraw/zinc/83/35/85/386833585.db2.gz KLZMMNTXWMRJIH-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CC1C[NH+]([C@]2(C[NH3+])CCCSC2)C1 ZINC000575493995 387286597 /nfs/dbraw/zinc/28/65/97/387286597.db2.gz NIWXEIXTXCGNJT-JTQLQIEISA-N 2 2 200.351 1.163 10 0 BDAELP C[C@@H]1C[NH2+][C@@]2(CC[NH2+][C@H](C)C2)SC1 ZINC000575511368 387382278 /nfs/dbraw/zinc/38/22/78/387382278.db2.gz DHFSNLWNWWSTCG-BBBLOLIVSA-N 2 2 200.351 1.427 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000035677111 387437667 /nfs/dbraw/zinc/43/76/67/387437667.db2.gz GHONVWPMFNOQSL-QMMMGPOBSA-N 2 2 202.204 1.247 10 0 BDAELP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1O ZINC000352657853 387421571 /nfs/dbraw/zinc/42/15/71/387421571.db2.gz HNFPYEBOZGDWPF-RYUDHWBXSA-N 2 2 223.320 1.118 10 0 BDAELP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@@H]1O ZINC000352657853 387421575 /nfs/dbraw/zinc/42/15/75/387421575.db2.gz HNFPYEBOZGDWPF-RYUDHWBXSA-N 2 2 223.320 1.118 10 0 BDAELP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000422742046 387647877 /nfs/dbraw/zinc/64/78/77/387647877.db2.gz QYUKBKLFXLNFMH-QWHCGFSZSA-N 2 2 220.316 1.326 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@](C)(CC)OC)C1 ZINC000323022058 387991633 /nfs/dbraw/zinc/99/16/33/387991633.db2.gz JNOHBWVAXAADQY-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@](C)(CC)OC)C1 ZINC000323022058 387991636 /nfs/dbraw/zinc/99/16/36/387991636.db2.gz JNOHBWVAXAADQY-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1 ZINC000245845357 387986611 /nfs/dbraw/zinc/98/66/11/387986611.db2.gz DNZUWGXEAVPVOC-KBPBESRZSA-N 2 2 248.374 1.442 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1 ZINC000245845357 387986613 /nfs/dbraw/zinc/98/66/13/387986613.db2.gz DNZUWGXEAVPVOC-KBPBESRZSA-N 2 2 248.374 1.442 10 0 BDAELP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000517918247 256554404 /nfs/dbraw/zinc/55/44/04/256554404.db2.gz ADYZANLHZWPYLT-IHRRRGAJSA-N 3 2 241.423 1.694 10 0 BDAELP CCC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)OCC ZINC000530207318 388626803 /nfs/dbraw/zinc/62/68/03/388626803.db2.gz DDUJOKFSRVVSCN-MNOVXSKESA-N 2 2 200.326 1.143 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000328459131 388643939 /nfs/dbraw/zinc/64/39/39/388643939.db2.gz GNSMTAFLVXGFIF-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000328459131 388643941 /nfs/dbraw/zinc/64/39/41/388643941.db2.gz GNSMTAFLVXGFIF-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000246567352 388644131 /nfs/dbraw/zinc/64/41/31/388644131.db2.gz XQENYWWCKCSWAV-XQHKEYJVSA-N 2 2 226.364 1.482 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000246567352 388644132 /nfs/dbraw/zinc/64/41/32/388644132.db2.gz XQENYWWCKCSWAV-XQHKEYJVSA-N 2 2 226.364 1.482 10 0 BDAELP C[NH+](C)CCN1CCc2cc([NH3+])ccc21 ZINC000019874953 388750459 /nfs/dbraw/zinc/75/04/59/388750459.db2.gz CMUJYCZVTCSEPM-UHFFFAOYSA-N 2 2 205.305 1.193 10 0 BDAELP C(C1SCCS1)[N@@H+]1CCC[NH2+]CC1 ZINC000575455430 388776164 /nfs/dbraw/zinc/77/61/64/388776164.db2.gz BZIJRPLDOOYJSU-UHFFFAOYSA-N 2 2 218.391 1.088 10 0 BDAELP C(C1SCCS1)[N@H+]1CCC[NH2+]CC1 ZINC000575455430 388776168 /nfs/dbraw/zinc/77/61/68/388776168.db2.gz BZIJRPLDOOYJSU-UHFFFAOYSA-N 2 2 218.391 1.088 10 0 BDAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC[NH2+]C1 ZINC000400515195 533360437 /nfs/dbraw/zinc/36/04/37/533360437.db2.gz KJGSXJWNPURUCF-NEPJUHHUSA-N 3 2 225.380 1.058 10 0 BDAELP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318149 533392352 /nfs/dbraw/zinc/39/23/52/533392352.db2.gz AULDSAYYCLLPOH-OLZOCXBDSA-N 3 2 239.407 1.448 10 0 BDAELP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318149 533392358 /nfs/dbraw/zinc/39/23/58/533392358.db2.gz AULDSAYYCLLPOH-OLZOCXBDSA-N 3 2 239.407 1.448 10 0 BDAELP CC(C)(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000038808830 132295498 /nfs/dbraw/zinc/29/54/98/132295498.db2.gz VZAIVOISORCACP-UHFFFAOYSA-N 2 2 233.359 1.546 10 0 BDAELP CC[C@H]1CN(c2cc[nH+]c(C[NH3+])c2)CCO1 ZINC000051396888 132360439 /nfs/dbraw/zinc/36/04/39/132360439.db2.gz VMIIWGQQBNIOGB-LBPRGKRZSA-N 2 2 221.304 1.156 10 0 BDAELP C[NH2+]Cc1cccc(N2CCn3cc[nH+]c3C2)n1 ZINC000062324421 132387501 /nfs/dbraw/zinc/38/75/01/132387501.db2.gz RFVMBEBMXCYNFD-UHFFFAOYSA-N 2 2 243.314 1.018 10 0 BDAELP C[C@H]1CC[C@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000336033823 134059310 /nfs/dbraw/zinc/05/93/10/134059310.db2.gz MRRLCRTTZPOTEW-STQMWFEESA-N 2 2 248.374 1.731 10 0 BDAELP COC[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178332021 134308963 /nfs/dbraw/zinc/30/89/63/134308963.db2.gz NZGREHVVVIILRS-WCQYABFASA-N 2 2 237.347 1.691 10 0 BDAELP COC[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178332021 134308964 /nfs/dbraw/zinc/30/89/64/134308964.db2.gz NZGREHVVVIILRS-WCQYABFASA-N 2 2 237.347 1.691 10 0 BDAELP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000252661747 135094362 /nfs/dbraw/zinc/09/43/62/135094362.db2.gz OWLIHMIADJREQK-STQMWFEESA-N 2 2 248.374 1.479 10 0 BDAELP C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000252661747 135094364 /nfs/dbraw/zinc/09/43/64/135094364.db2.gz OWLIHMIADJREQK-STQMWFEESA-N 2 2 248.374 1.479 10 0 BDAELP Cc1noc(C)c1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261541652 135181896 /nfs/dbraw/zinc/18/18/96/135181896.db2.gz LLHZNLYWCYAABL-CABZTGNLSA-N 2 2 237.347 1.851 10 0 BDAELP Cc1noc(C)c1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261541652 135181897 /nfs/dbraw/zinc/18/18/97/135181897.db2.gz LLHZNLYWCYAABL-CABZTGNLSA-N 2 2 237.347 1.851 10 0 BDAELP CCc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261577144 135218735 /nfs/dbraw/zinc/21/87/35/135218735.db2.gz ODODYYIPXBMNEU-JQWIXIFHSA-N 2 2 248.374 1.911 10 0 BDAELP CC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000166113281 136070451 /nfs/dbraw/zinc/07/04/51/136070451.db2.gz RVVRUBUBZUECKY-XQQFMLRXSA-N 2 2 228.380 1.778 10 0 BDAELP CO[C@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000383078562 397998665 /nfs/dbraw/zinc/99/86/65/397998665.db2.gz IBXRXFRIFQLFEB-UONOGXRCSA-N 2 2 234.343 1.797 10 0 BDAELP CO[C@H](C[N@H+]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000383078562 397998668 /nfs/dbraw/zinc/99/86/68/397998668.db2.gz IBXRXFRIFQLFEB-UONOGXRCSA-N 2 2 234.343 1.797 10 0 BDAELP CC(C)[N@H+]1C[C@H]([NH2+]C[C@H]2C[C@H]2C)[C@@H](C)C1 ZINC000308931202 167033904 /nfs/dbraw/zinc/03/39/04/167033904.db2.gz FJRXQUXPICMBKK-XQHKEYJVSA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[N@@H+]1C[C@H]([NH2+]C[C@H]2C[C@H]2C)[C@@H](C)C1 ZINC000308931202 167033906 /nfs/dbraw/zinc/03/39/06/167033906.db2.gz FJRXQUXPICMBKK-XQHKEYJVSA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000336678967 167134268 /nfs/dbraw/zinc/13/42/68/167134268.db2.gz QRYPZPSSFYDRGV-PWSUYJOCSA-N 2 2 223.320 1.638 10 0 BDAELP CC(C)[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000336678965 167139808 /nfs/dbraw/zinc/13/98/08/167139808.db2.gz QRYPZPSSFYDRGV-CMPLNLGQSA-N 2 2 223.320 1.638 10 0 BDAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCc1ccccn1 ZINC000049205047 167395790 /nfs/dbraw/zinc/39/57/90/167395790.db2.gz YURDCAGVZPMMFF-CQSZACIVSA-N 2 2 235.375 1.800 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658036821 411212463 /nfs/dbraw/zinc/21/24/63/411212463.db2.gz RONVKNQJUJCUHP-RYUDHWBXSA-N 2 2 228.405 1.956 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)C1 ZINC000658036821 411212464 /nfs/dbraw/zinc/21/24/64/411212464.db2.gz RONVKNQJUJCUHP-RYUDHWBXSA-N 2 2 228.405 1.956 10 0 BDAELP CO[C@H]1C[NH2+][C@@](C)(C[NH2+]Cc2ccccc2)C1 ZINC000536958773 411265795 /nfs/dbraw/zinc/26/57/95/411265795.db2.gz IAGHOEJFPKEIBJ-ZIAGYGMSSA-N 2 2 234.343 1.543 10 0 BDAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000656702938 411339461 /nfs/dbraw/zinc/33/94/61/411339461.db2.gz UPAQSHOSMHECAC-YNEHKIRRSA-N 2 2 240.391 1.752 10 0 BDAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000656702938 411339466 /nfs/dbraw/zinc/33/94/66/411339466.db2.gz UPAQSHOSMHECAC-YNEHKIRRSA-N 2 2 240.391 1.752 10 0 BDAELP CC1CC[NH+]([C@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000020075233 168187811 /nfs/dbraw/zinc/18/78/11/168187811.db2.gz QYDNIGDKLVLVLS-GFCCVEGCSA-N 2 2 222.336 1.152 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000328352586 170022172 /nfs/dbraw/zinc/02/21/72/170022172.db2.gz NVUWBKPBBKDLBR-AAEUAGOBSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000328352586 170022173 /nfs/dbraw/zinc/02/21/73/170022173.db2.gz NVUWBKPBBKDLBR-AAEUAGOBSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000328530506 170022454 /nfs/dbraw/zinc/02/24/54/170022454.db2.gz XEQBOOSXCLDOMK-WOPDTQHZSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000328530506 170022455 /nfs/dbraw/zinc/02/24/55/170022455.db2.gz XEQBOOSXCLDOMK-WOPDTQHZSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCOCC2)C1 ZINC000309031345 170037181 /nfs/dbraw/zinc/03/71/81/170037181.db2.gz DYPXRPRAHOHIJZ-CMPLNLGQSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCOCC2)C1 ZINC000309031345 170037182 /nfs/dbraw/zinc/03/71/82/170037182.db2.gz DYPXRPRAHOHIJZ-CMPLNLGQSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000336778757 170039310 /nfs/dbraw/zinc/03/93/10/170039310.db2.gz MFSSFAHPOFQMHH-QNWHQSFQSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000336778757 170039311 /nfs/dbraw/zinc/03/93/11/170039311.db2.gz MFSSFAHPOFQMHH-QNWHQSFQSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000336778923 170040124 /nfs/dbraw/zinc/04/01/24/170040124.db2.gz MRYFIHMWVZEGGX-ZDEQEGDKSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000336778923 170040125 /nfs/dbraw/zinc/04/01/25/170040125.db2.gz MRYFIHMWVZEGGX-ZDEQEGDKSA-N 2 2 226.364 1.484 10 0 BDAELP CC[NH2+]C1CC[NH+](Cc2ccc(OC)nc2)CC1 ZINC000062073717 170108173 /nfs/dbraw/zinc/10/81/73/170108173.db2.gz LCRKSORFBALUMN-UHFFFAOYSA-N 2 2 249.358 1.664 10 0 BDAELP CC[NH2+]C1CC[NH+](Cc2ccnc(OC)c2)CC1 ZINC000062073637 170108926 /nfs/dbraw/zinc/10/89/26/170108926.db2.gz XZYCHIWVEQKPNP-UHFFFAOYSA-N 2 2 249.358 1.664 10 0 BDAELP CC[NH2+]C[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000053695935 170120404 /nfs/dbraw/zinc/12/04/04/170120404.db2.gz MDBYRUWQVITZSK-LBPRGKRZSA-N 2 2 219.332 1.908 10 0 BDAELP CC[NH2+][C@@H](C)c1csc(C[NH+](C)C)n1 ZINC000070841490 170142978 /nfs/dbraw/zinc/14/29/78/170142978.db2.gz MOANXKDIKHWJIO-QMMMGPOBSA-N 2 2 213.350 1.875 10 0 BDAELP CC[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCC(C)CC1 ZINC000043806793 170153034 /nfs/dbraw/zinc/15/30/34/170153034.db2.gz KHGDMJWQGMWVNC-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP CC[NH2+][C@H](C)[C@H](C)[N@@H+]1CCCOCC1 ZINC000061917905 170158700 /nfs/dbraw/zinc/15/87/00/170158700.db2.gz PXUDGYZWDVEPJE-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@H](C)[C@H](C)[N@H+]1CCCOCC1 ZINC000061917905 170158701 /nfs/dbraw/zinc/15/87/01/170158701.db2.gz PXUDGYZWDVEPJE-MNOVXSKESA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1N(C)Cc1[nH+]ccn1C ZINC000062251434 170166455 /nfs/dbraw/zinc/16/64/55/170166455.db2.gz CLIRIJAGJNZMTJ-NWDGAFQWSA-N 2 2 236.363 1.383 10 0 BDAELP C[N@@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616605319 411893405 /nfs/dbraw/zinc/89/34/05/411893405.db2.gz MRZAODXRYVDGKB-LLVKDONJSA-N 2 2 205.305 1.863 10 0 BDAELP C[N@H+]1CCCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616605319 411893411 /nfs/dbraw/zinc/89/34/11/411893411.db2.gz MRZAODXRYVDGKB-LLVKDONJSA-N 2 2 205.305 1.863 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@@](C)(C[NH3+])C(C)C)CCO1 ZINC000041053646 171096828 /nfs/dbraw/zinc/09/68/28/171096828.db2.gz DYNQHJLZTXCKNV-NEPJUHHUSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1C[N@H+]([C@@](C)(C[NH3+])C(C)C)CCO1 ZINC000041053646 171096829 /nfs/dbraw/zinc/09/68/29/171096829.db2.gz DYNQHJLZTXCKNV-NEPJUHHUSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH2+]1 ZINC000042172144 171105578 /nfs/dbraw/zinc/10/55/78/171105578.db2.gz KNQFROZKPCULCB-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CC[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH2+]1 ZINC000042172144 171105579 /nfs/dbraw/zinc/10/55/79/171105579.db2.gz KNQFROZKPCULCB-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CC[C@@](C)(C[NH3+])CN1CCn2cc[nH+]c2C1 ZINC000062322235 171166669 /nfs/dbraw/zinc/16/66/69/171166669.db2.gz BBPFFLCWSCNOIH-LBPRGKRZSA-N 2 2 222.336 1.074 10 0 BDAELP CCn1cc([C@H](C)[NH+]2CCC([NH3+])CC2)cn1 ZINC000044500875 172196017 /nfs/dbraw/zinc/19/60/17/172196017.db2.gz FCTRTSWFMDZRLA-JTQLQIEISA-N 2 2 222.336 1.387 10 0 BDAELP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336658360 172467229 /nfs/dbraw/zinc/46/72/29/172467229.db2.gz QFUBZKCYSMQLRL-MNOVXSKESA-N 2 2 202.317 1.666 10 0 BDAELP C[N@H+](CC[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000042171868 172988077 /nfs/dbraw/zinc/98/80/77/172988077.db2.gz JAXRMMPLPCFXAH-LBPRGKRZSA-N 3 2 225.380 1.155 10 0 BDAELP C[N@@H+](CC[C@@H]1CCC[NH2+]1)C1CC[NH+](C)CC1 ZINC000042171868 172988079 /nfs/dbraw/zinc/98/80/79/172988079.db2.gz JAXRMMPLPCFXAH-LBPRGKRZSA-N 3 2 225.380 1.155 10 0 BDAELP C[N@@H+]1CCC[C@]([NH3+])(c2ccc(F)cc2)C1 ZINC000084387305 173061207 /nfs/dbraw/zinc/06/12/07/173061207.db2.gz PMQHZPNICJTVKA-GFCCVEGCSA-N 2 2 208.280 1.705 10 0 BDAELP C[N@H+]1CCC[C@]([NH3+])(c2ccc(F)cc2)C1 ZINC000084387305 173061210 /nfs/dbraw/zinc/06/12/10/173061210.db2.gz PMQHZPNICJTVKA-GFCCVEGCSA-N 2 2 208.280 1.705 10 0 BDAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000037655414 173118327 /nfs/dbraw/zinc/11/83/27/173118327.db2.gz ZTWBDINGNYCJAN-LBPRGKRZSA-N 2 2 244.342 1.376 10 0 BDAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000037655414 173118329 /nfs/dbraw/zinc/11/83/29/173118329.db2.gz ZTWBDINGNYCJAN-LBPRGKRZSA-N 2 2 244.342 1.376 10 0 BDAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655381 173146708 /nfs/dbraw/zinc/14/67/08/173146708.db2.gz GKKGERROKQJLLH-SECBINFHSA-N 2 2 228.723 1.974 10 0 BDAELP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655381 173146709 /nfs/dbraw/zinc/14/67/09/173146709.db2.gz GKKGERROKQJLLH-SECBINFHSA-N 2 2 228.723 1.974 10 0 BDAELP C[NH2+]CCOCCc1ccc2c(c1)[nH+]cn2C ZINC000077366800 173357004 /nfs/dbraw/zinc/35/70/04/173357004.db2.gz IQYQKRMNDWOTDH-UHFFFAOYSA-N 2 2 233.315 1.352 10 0 BDAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000063169271 173366864 /nfs/dbraw/zinc/36/68/64/173366864.db2.gz IVQLGAOJSDWAMT-GJZGRUSLSA-N 2 2 248.370 1.794 10 0 BDAELP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000063169271 173366866 /nfs/dbraw/zinc/36/68/66/173366866.db2.gz IVQLGAOJSDWAMT-GJZGRUSLSA-N 2 2 248.370 1.794 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000050158872 173368217 /nfs/dbraw/zinc/36/82/17/173368217.db2.gz UGRQPHDEBWEZCF-WDEREUQCSA-N 2 2 210.321 1.039 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCCC2=O)C1 ZINC000050158872 173368219 /nfs/dbraw/zinc/36/82/19/173368219.db2.gz UGRQPHDEBWEZCF-WDEREUQCSA-N 2 2 210.321 1.039 10 0 BDAELP C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000019864365 173376956 /nfs/dbraw/zinc/37/69/56/173376956.db2.gz UVJKGXLXHYPLLW-NSHDSACASA-N 2 2 233.315 1.233 10 0 BDAELP C[NH2+]C[C@H]1CCN(c2ccc([NH+](C)C)cc2)C1 ZINC000053031311 173382187 /nfs/dbraw/zinc/38/21/87/173382187.db2.gz YFHBNZOGPYXGPL-GFCCVEGCSA-N 2 2 233.359 1.798 10 0 BDAELP C[NH2+]C[C@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000071544653 173382416 /nfs/dbraw/zinc/38/24/16/173382416.db2.gz JRKBBPJSEVLWAB-AWEZNQCLSA-N 2 2 234.343 1.149 10 0 BDAELP C[NH2+]C[C@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000071544653 173382417 /nfs/dbraw/zinc/38/24/17/173382417.db2.gz JRKBBPJSEVLWAB-AWEZNQCLSA-N 2 2 234.343 1.149 10 0 BDAELP C[NH2+]Cc1c(C)nn(CCCn2cc[nH+]c2)c1C ZINC000049328883 173384817 /nfs/dbraw/zinc/38/48/17/173384817.db2.gz ZFSWVTOOBTZNQP-UHFFFAOYSA-N 2 2 247.346 1.506 10 0 BDAELP C[NH2+]Cc1cc(C[N@@H+]2CCOC[C@@H]2C)oc1C ZINC000052475801 173386852 /nfs/dbraw/zinc/38/68/52/173386852.db2.gz FGCZMKXHDKOTKK-JTQLQIEISA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1cc(C[N@H+]2CCOC[C@@H]2C)oc1C ZINC000052475801 173386854 /nfs/dbraw/zinc/38/68/54/173386854.db2.gz FGCZMKXHDKOTKK-JTQLQIEISA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1occc1C[N@@H+]1CCOC[C@H]1C ZINC000052475852 173399412 /nfs/dbraw/zinc/39/94/12/173399412.db2.gz XBJNDQYDDBLPFM-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1occc1C[N@H+]1CCOC[C@H]1C ZINC000052475852 173399413 /nfs/dbraw/zinc/39/94/13/173399413.db2.gz XBJNDQYDDBLPFM-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP COCC[N@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000041280497 174283996 /nfs/dbraw/zinc/28/39/96/174283996.db2.gz XMEWYRLRJWZQLX-CYBMUJFWSA-N 2 2 238.331 1.273 10 0 BDAELP COCC[N@@H+](C)[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000041280497 174283998 /nfs/dbraw/zinc/28/39/98/174283998.db2.gz XMEWYRLRJWZQLX-CYBMUJFWSA-N 2 2 238.331 1.273 10 0 BDAELP COCC[C@@H]([NH3+])C[N@H+](C)Cc1cccc(C)c1 ZINC000052810793 174392420 /nfs/dbraw/zinc/39/24/20/174392420.db2.gz LFIRHTCWUDDREV-CQSZACIVSA-N 2 2 236.359 1.791 10 0 BDAELP COCC[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(C)c1 ZINC000052810793 174392421 /nfs/dbraw/zinc/39/24/21/174392421.db2.gz LFIRHTCWUDDREV-CQSZACIVSA-N 2 2 236.359 1.791 10 0 BDAELP COc1ccc(-c2cn3c([nH+]2)CC[C@H]([NH3+])C3)cc1 ZINC000079776643 175035540 /nfs/dbraw/zinc/03/55/40/175035540.db2.gz WOZVMKDJPAJNQV-NSHDSACASA-N 2 2 243.310 1.832 10 0 BDAELP COc1ccc(CC[N@H+](C)CC[NH3+])c(Cl)c1 ZINC000077391723 175089570 /nfs/dbraw/zinc/08/95/70/175089570.db2.gz ISACDTMDONMLAD-UHFFFAOYSA-N 2 2 242.750 1.782 10 0 BDAELP COc1ccc(CC[N@@H+](C)CC[NH3+])c(Cl)c1 ZINC000077391723 175089571 /nfs/dbraw/zinc/08/95/71/175089571.db2.gz ISACDTMDONMLAD-UHFFFAOYSA-N 2 2 242.750 1.782 10 0 BDAELP COc1ccc(CC[N@H+](C)CC[NH3+])cc1Cl ZINC000077391715 175089954 /nfs/dbraw/zinc/08/99/54/175089954.db2.gz ZGOZWOZMQNFWAB-UHFFFAOYSA-N 2 2 242.750 1.782 10 0 BDAELP COc1ccc(CC[N@@H+](C)CC[NH3+])cc1Cl ZINC000077391715 175089956 /nfs/dbraw/zinc/08/99/56/175089956.db2.gz ZGOZWOZMQNFWAB-UHFFFAOYSA-N 2 2 242.750 1.782 10 0 BDAELP COc1ccc(C[C@H]([NH3+])C[NH+](C)C)c(OC)c1 ZINC000071548926 175117317 /nfs/dbraw/zinc/11/73/17/175117317.db2.gz QSJPUSVWNOEMNK-NSHDSACASA-N 2 2 238.331 1.135 10 0 BDAELP COc1cccc(CCn2c[nH+]c(CC[NH3+])c2)c1 ZINC000098128222 175254022 /nfs/dbraw/zinc/25/40/22/175254022.db2.gz KQZACWSUHNAPEV-UHFFFAOYSA-N 2 2 245.326 1.636 10 0 BDAELP COc1ccccc1CCn1c[nH+]c(CC[NH3+])c1 ZINC000098128221 175324365 /nfs/dbraw/zinc/32/43/65/175324365.db2.gz BKOIJMHVHRPOES-UHFFFAOYSA-N 2 2 245.326 1.636 10 0 BDAELP C[C@@H](c1ccccn1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662171 176028375 /nfs/dbraw/zinc/02/83/75/176028375.db2.gz QIBUJFNHNLODDR-NEPJUHHUSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H](c1ccccn1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662171 176028376 /nfs/dbraw/zinc/02/83/76/176028376.db2.gz QIBUJFNHNLODDR-NEPJUHHUSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H]1CC[N@H+](CC[NH2+]C2CCOCC2)[C@H](C)C1 ZINC000062767730 176170946 /nfs/dbraw/zinc/17/09/46/176170946.db2.gz XBVNVCCBTDXQSY-CHWSQXEVSA-N 2 2 240.391 1.875 10 0 BDAELP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCOCC2)[C@H](C)C1 ZINC000062767730 176170948 /nfs/dbraw/zinc/17/09/48/176170948.db2.gz XBVNVCCBTDXQSY-CHWSQXEVSA-N 2 2 240.391 1.875 10 0 BDAELP C[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](C)C2)CCC[NH2+]1 ZINC000049666476 176172973 /nfs/dbraw/zinc/17/29/73/176172973.db2.gz GVICWVDNKZFEIQ-CHWSQXEVSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](C)C2)CCC[NH2+]1 ZINC000049666476 176172974 /nfs/dbraw/zinc/17/29/74/176172974.db2.gz GVICWVDNKZFEIQ-CHWSQXEVSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CCC[NH2+]1 ZINC000049666476 176172975 /nfs/dbraw/zinc/17/29/75/176172975.db2.gz GVICWVDNKZFEIQ-CHWSQXEVSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)CCC[NH2+]1 ZINC000049666476 176172976 /nfs/dbraw/zinc/17/29/76/176172976.db2.gz GVICWVDNKZFEIQ-CHWSQXEVSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000235337480 176176124 /nfs/dbraw/zinc/17/61/24/176176124.db2.gz YDZSYFWUFORZKW-DGCLKSJQSA-N 2 2 234.343 1.951 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000235337480 176176125 /nfs/dbraw/zinc/17/61/25/176176125.db2.gz YDZSYFWUFORZKW-DGCLKSJQSA-N 2 2 234.343 1.951 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2ccncc2)CC[NH2+]1 ZINC000049662154 176177912 /nfs/dbraw/zinc/17/79/12/176177912.db2.gz JZFQSOHFRJOWBI-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2ccncc2)CC[NH2+]1 ZINC000049662154 176177913 /nfs/dbraw/zinc/17/79/13/176177913.db2.gz JZFQSOHFRJOWBI-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[NH2+]C[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000335655997 176185327 /nfs/dbraw/zinc/18/53/27/176185327.db2.gz GWKNEEFVDVUEFM-PWSUYJOCSA-N 2 2 244.342 1.983 10 0 BDAELP C[C@@H]1C[N@H+](CCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071544655 176293955 /nfs/dbraw/zinc/29/39/55/176293955.db2.gz GCRIWRNFWUTTQP-OCCSQVGLSA-N 2 2 234.343 1.277 10 0 BDAELP C[C@@H]1C[N@@H+](CCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071544655 176293957 /nfs/dbraw/zinc/29/39/57/176293957.db2.gz GCRIWRNFWUTTQP-OCCSQVGLSA-N 2 2 234.343 1.277 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918641 176296978 /nfs/dbraw/zinc/29/69/78/176296978.db2.gz CJNMOVIKFZVJFA-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)CCCO1 ZINC000061918641 176296979 /nfs/dbraw/zinc/29/69/79/176296979.db2.gz CJNMOVIKFZVJFA-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020075254 177078846 /nfs/dbraw/zinc/07/88/46/177078846.db2.gz PBCLWEUKYRSIAC-JQWIXIFHSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020075254 177078848 /nfs/dbraw/zinc/07/88/48/177078848.db2.gz PBCLWEUKYRSIAC-JQWIXIFHSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@H]1CCC[N@H+](CCC(F)(F)F)[C@@H]1C[NH3+] ZINC000070914894 177098355 /nfs/dbraw/zinc/09/83/55/177098355.db2.gz HHIFTYZJTQGZSF-DTWKUNHWSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@H]1CCC[N@@H+](CCC(F)(F)F)[C@@H]1C[NH3+] ZINC000070914894 177098356 /nfs/dbraw/zinc/09/83/56/177098356.db2.gz HHIFTYZJTQGZSF-DTWKUNHWSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](C)CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000049665941 177156985 /nfs/dbraw/zinc/15/69/85/177156985.db2.gz HFYROMRHHJOFAF-OLZOCXBDSA-N 3 2 239.407 1.401 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](C)CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000049665941 177156986 /nfs/dbraw/zinc/15/69/86/177156986.db2.gz HFYROMRHHJOFAF-OLZOCXBDSA-N 3 2 239.407 1.401 10 0 BDAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000044372471 177169921 /nfs/dbraw/zinc/16/99/21/177169921.db2.gz RZQZNVBJGOVWFA-JQWIXIFHSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000044372471 177169923 /nfs/dbraw/zinc/16/99/23/177169923.db2.gz RZQZNVBJGOVWFA-JQWIXIFHSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])co1 ZINC000052476575 177261192 /nfs/dbraw/zinc/26/11/92/177261192.db2.gz XMMCSNVZOJKGSK-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])co1 ZINC000052476575 177261194 /nfs/dbraw/zinc/26/11/94/177261194.db2.gz XMMCSNVZOJKGSK-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052476439 177262337 /nfs/dbraw/zinc/26/23/37/177262337.db2.gz MVWICGDYYFEGPN-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052476439 177262338 /nfs/dbraw/zinc/26/23/38/177262338.db2.gz MVWICGDYYFEGPN-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000019393634 177262737 /nfs/dbraw/zinc/26/27/37/177262737.db2.gz QNVBGNSKAXPVDU-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000019393634 177262738 /nfs/dbraw/zinc/26/27/38/177262738.db2.gz QNVBGNSKAXPVDU-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1C[N@@H+]([C@]2(C[NH3+])CCSC2)CC(C)(C)O1 ZINC000045665149 177276195 /nfs/dbraw/zinc/27/61/95/177276195.db2.gz YBZOWYYWZFQSKT-JQWIXIFHSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@H]1C[N@H+]([C@]2(C[NH3+])CCSC2)CC(C)(C)O1 ZINC000045665149 177276197 /nfs/dbraw/zinc/27/61/97/177276197.db2.gz YBZOWYYWZFQSKT-JQWIXIFHSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](CCc2ccccc2)C1 ZINC000049661492 177283395 /nfs/dbraw/zinc/28/33/95/177283395.db2.gz MMKROIKCMLCVMP-ZDUSSCGKSA-N 2 2 218.344 1.770 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](CCc2ccccc2)C1 ZINC000049661492 177283397 /nfs/dbraw/zinc/28/33/97/177283397.db2.gz MMKROIKCMLCVMP-ZDUSSCGKSA-N 2 2 218.344 1.770 10 0 BDAELP CC[C@@H]1CN(c2cc(C)[nH+]cn2)CC[C@H]1[NH3+] ZINC000251847574 487803054 /nfs/dbraw/zinc/80/30/54/487803054.db2.gz RKTUSLJEHNPDHE-GHMZBOCLSA-N 2 2 220.320 1.349 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569684502 323036890 /nfs/dbraw/zinc/03/68/90/323036890.db2.gz GWMBBIBUZAYBJV-MGPQQGTHSA-N 3 2 241.423 1.693 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000569684502 323036891 /nfs/dbraw/zinc/03/68/91/323036891.db2.gz GWMBBIBUZAYBJV-MGPQQGTHSA-N 3 2 241.423 1.693 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398764085 323192052 /nfs/dbraw/zinc/19/20/52/323192052.db2.gz INWRVLFAQLYPKP-BFHYXJOUSA-N 2 2 249.358 1.284 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398764085 323192053 /nfs/dbraw/zinc/19/20/53/323192053.db2.gz INWRVLFAQLYPKP-BFHYXJOUSA-N 2 2 249.358 1.284 10 0 BDAELP CC[N@@H+]1CCO[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000078642293 490205226 /nfs/dbraw/zinc/20/52/26/490205226.db2.gz VIWWLRPWHLXTGU-AWEZNQCLSA-N 2 2 240.391 1.877 10 0 BDAELP CC[N@H+]1CCO[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC000078642293 490205236 /nfs/dbraw/zinc/20/52/36/490205236.db2.gz VIWWLRPWHLXTGU-AWEZNQCLSA-N 2 2 240.391 1.877 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cccnc2)c[nH+]1 ZINC000136080650 491052768 /nfs/dbraw/zinc/05/27/68/491052768.db2.gz PYESFAHLVQBOND-AWEZNQCLSA-N 2 2 242.326 1.943 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cccnc2)c[nH+]1 ZINC000136080650 491052769 /nfs/dbraw/zinc/05/27/69/491052769.db2.gz PYESFAHLVQBOND-AWEZNQCLSA-N 2 2 242.326 1.943 10 0 BDAELP Cc1ccc(C[N@@H+]2CC[C@H]2C[NH3+])cc1C ZINC000757147040 582530800 /nfs/dbraw/zinc/53/08/00/582530800.db2.gz SJYXKAWQLHMHOP-ZDUSSCGKSA-N 2 2 204.317 1.836 10 0 BDAELP Cc1ccc(C[N@H+]2CC[C@H]2C[NH3+])cc1C ZINC000757147040 582530803 /nfs/dbraw/zinc/53/08/03/582530803.db2.gz SJYXKAWQLHMHOP-ZDUSSCGKSA-N 2 2 204.317 1.836 10 0 BDAELP CC(C)[NH+](CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400423060 528907043 /nfs/dbraw/zinc/90/70/43/528907043.db2.gz XRTQPLKRUBHLIU-KGLIPLIRSA-N 3 2 241.423 1.693 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226858224 534948527 /nfs/dbraw/zinc/94/85/27/534948527.db2.gz LQVMPVBVAUSMQA-QWHCGFSZSA-N 2 2 226.364 1.439 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226858224 534948529 /nfs/dbraw/zinc/94/85/29/534948529.db2.gz LQVMPVBVAUSMQA-QWHCGFSZSA-N 2 2 226.364 1.439 10 0 BDAELP C[NH2+][C@H](C)CNc1cc(C)[nH+]c(C(C)C)n1 ZINC000261569066 536404347 /nfs/dbraw/zinc/40/43/47/536404347.db2.gz GBDQSCOERSWSGJ-SNVBAGLBSA-N 2 2 222.336 1.928 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@@H+](CC2=[NH+]CCCN2)C1 ZINC000669384968 566427808 /nfs/dbraw/zinc/42/78/08/566427808.db2.gz QGDAHCDHNBEBMA-PHIMTYICSA-N 2 2 209.337 1.356 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@H+](CC2=[NH+]CCCN2)C1 ZINC000669384968 566427820 /nfs/dbraw/zinc/42/78/20/566427820.db2.gz QGDAHCDHNBEBMA-PHIMTYICSA-N 2 2 209.337 1.356 10 0 BDAELP CC(C)[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129360 582504243 /nfs/dbraw/zinc/50/42/43/582504243.db2.gz LGGHZIRGYBLZHZ-CYBMUJFWSA-N 2 2 208.349 1.955 10 0 BDAELP CC(C)[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129360 582504245 /nfs/dbraw/zinc/50/42/45/582504245.db2.gz LGGHZIRGYBLZHZ-CYBMUJFWSA-N 2 2 208.349 1.955 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757134065 582510394 /nfs/dbraw/zinc/51/03/94/582510394.db2.gz WAMSSILPBQNZQR-SDDRHHMPSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757134065 582510396 /nfs/dbraw/zinc/51/03/96/582510396.db2.gz WAMSSILPBQNZQR-SDDRHHMPSA-N 2 2 214.328 1.951 10 0 BDAELP CC(C)[C@@H]1[NH2+][C@@]2(CC[NH2+]C2)OCC1(C)C ZINC000757143691 582524214 /nfs/dbraw/zinc/52/42/14/582524214.db2.gz DZEGVSNGRNJFEN-JQWIXIFHSA-N 2 2 212.337 1.347 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@H](C)C[C@@H]2[NH3+])cc1 ZINC000757218524 582562888 /nfs/dbraw/zinc/56/28/88/582562888.db2.gz VNMFEAOOVKQPST-IIMNLJJBSA-N 2 2 232.327 1.887 10 0 BDAELP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675053869 583928781 /nfs/dbraw/zinc/92/87/81/583928781.db2.gz OWCMWESDBBMSJW-OCCSQVGLSA-N 3 2 239.407 1.530 10 0 BDAELP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C[NH3+])C1 ZINC000675053869 583928783 /nfs/dbraw/zinc/92/87/83/583928783.db2.gz OWCMWESDBBMSJW-OCCSQVGLSA-N 3 2 239.407 1.530 10 0 BDAELP C[C@@H]1C[NH2+][C@H](c2cccc(N)c2)[C@@H]([NH3+])C1 ZINC000757215211 586440203 /nfs/dbraw/zinc/44/02/03/586440203.db2.gz MUHLVZWWCCQJLT-KPXOXKRLSA-N 2 2 205.305 1.267 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757228625 586442551 /nfs/dbraw/zinc/44/25/51/586442551.db2.gz DFAPWTAFLNKXTF-JLLWLGSASA-N 2 2 236.363 1.778 10 0 BDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccn1 ZINC000399046157 635206111 /nfs/dbraw/zinc/20/61/11/635206111.db2.gz UQTVETTWUSVCHO-LBPRGKRZSA-N 2 2 249.358 1.189 10 0 BDAELP C[C@@H]1[NH2+][C@H](c2ccc(C=O)s2)CC[C@@H]1[NH3+] ZINC000757211481 643370031 /nfs/dbraw/zinc/37/00/31/643370031.db2.gz HQMAJQIKZJGOFL-HGNGGELXSA-N 2 2 224.329 1.701 10 0 BDAELP C[C@@H]1[NH2+][C@@H](c2ccc(C=O)s2)CC[C@@H]1[NH3+] ZINC000757211531 643370550 /nfs/dbraw/zinc/37/05/50/643370550.db2.gz HQMAJQIKZJGOFL-UJNFCWOMSA-N 2 2 224.329 1.701 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249074628 644711668 /nfs/dbraw/zinc/71/16/68/644711668.db2.gz ARNSEEIUQXMHOI-MGPQQGTHSA-N 2 2 238.375 1.997 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249074628 644711673 /nfs/dbraw/zinc/71/16/73/644711673.db2.gz ARNSEEIUQXMHOI-MGPQQGTHSA-N 2 2 238.375 1.997 10 0 BDAELP CC1(C)CCC[C@@H](C[N@@H+]2CCC[C@H]2C[NH3+])O1 ZINC000714350999 712483486 /nfs/dbraw/zinc/48/34/86/712483486.db2.gz WPHKUZMLCBDLSC-RYUDHWBXSA-N 2 2 226.364 1.757 10 0 BDAELP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H]2C[NH3+])O1 ZINC000714350999 712483488 /nfs/dbraw/zinc/48/34/88/712483488.db2.gz WPHKUZMLCBDLSC-RYUDHWBXSA-N 2 2 226.364 1.757 10 0 BDAELP CC[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709755567 712217510 /nfs/dbraw/zinc/21/75/10/712217510.db2.gz PBHSVAAWWKHQFV-QMMMGPOBSA-N 2 2 225.361 1.758 10 0 BDAELP CC[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709755567 712217513 /nfs/dbraw/zinc/21/75/13/712217513.db2.gz PBHSVAAWWKHQFV-QMMMGPOBSA-N 2 2 225.361 1.758 10 0 BDAELP CCC1([NH3+])CCN(c2cc[nH+]c(C)n2)CC1 ZINC000714752076 712497040 /nfs/dbraw/zinc/49/70/40/712497040.db2.gz NINJLXJURXYDLP-UHFFFAOYSA-N 2 2 220.320 1.493 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000716267854 712553204 /nfs/dbraw/zinc/55/32/04/712553204.db2.gz VSOIDECTUKHGPB-QWHCGFSZSA-N 2 2 238.375 1.759 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)CO1 ZINC000716267854 712553205 /nfs/dbraw/zinc/55/32/05/712553205.db2.gz VSOIDECTUKHGPB-QWHCGFSZSA-N 2 2 238.375 1.759 10 0 BDAELP Cc1conc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000720397006 712838286 /nfs/dbraw/zinc/83/82/86/712838286.db2.gz UNWWGNVTNQJDQK-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1conc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000720397006 712838288 /nfs/dbraw/zinc/83/82/88/712838288.db2.gz UNWWGNVTNQJDQK-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616611922 349475040 /nfs/dbraw/zinc/47/50/40/349475040.db2.gz HYXAPEAQCSUUNO-GFCCVEGCSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cc3ccccc3nn2)C1 ZINC000616611922 349475044 /nfs/dbraw/zinc/47/50/44/349475044.db2.gz HYXAPEAQCSUUNO-GFCCVEGCSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc3nnccc3c2)C1 ZINC000616612117 349478139 /nfs/dbraw/zinc/47/81/39/349478139.db2.gz MHPVCFRACRUSIW-ZDUSSCGKSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc3nnccc3c2)C1 ZINC000616612117 349478142 /nfs/dbraw/zinc/47/81/42/349478142.db2.gz MHPVCFRACRUSIW-ZDUSSCGKSA-N 2 2 242.326 1.378 10 0 BDAELP CC[C@H](O)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000379924529 398176856 /nfs/dbraw/zinc/17/68/56/398176856.db2.gz KHAQXRUQNVTCGS-SRVKXCTJSA-N 2 2 214.353 1.076 10 0 BDAELP CC[C@H](O)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000379924529 398176857 /nfs/dbraw/zinc/17/68/57/398176857.db2.gz KHAQXRUQNVTCGS-SRVKXCTJSA-N 2 2 214.353 1.076 10 0 BDAELP Cc1n[nH]c(C)c1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000120981951 398201214 /nfs/dbraw/zinc/20/12/14/398201214.db2.gz WKRFOJKONOMNFD-LBPRGKRZSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000120981951 398201218 /nfs/dbraw/zinc/20/12/18/398201218.db2.gz WKRFOJKONOMNFD-LBPRGKRZSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1n[nH]c(C)c1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000120981951 398201219 /nfs/dbraw/zinc/20/12/19/398201219.db2.gz WKRFOJKONOMNFD-LBPRGKRZSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1n[nH]c(C)c1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000120981951 398201223 /nfs/dbraw/zinc/20/12/23/398201223.db2.gz WKRFOJKONOMNFD-LBPRGKRZSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]32)c[nH+]c1C ZINC000028865875 178122544 /nfs/dbraw/zinc/12/25/44/178122544.db2.gz ZTWHVRXLTQENEO-ZYHUDNBSSA-N 2 2 203.289 1.106 10 0 BDAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386684749 398216071 /nfs/dbraw/zinc/21/60/71/398216071.db2.gz YBRRUDJNTWZLST-ZIAGYGMSSA-N 2 2 240.391 1.611 10 0 BDAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386684749 398216075 /nfs/dbraw/zinc/21/60/75/398216075.db2.gz YBRRUDJNTWZLST-ZIAGYGMSSA-N 2 2 240.391 1.611 10 0 BDAELP CC[C@@]1([NH2+]C[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000386519735 398211758 /nfs/dbraw/zinc/21/17/58/398211758.db2.gz DMCXYYNGUBXGAY-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CC[C@@]1([NH2+]C[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000386519735 398211760 /nfs/dbraw/zinc/21/17/60/398211760.db2.gz DMCXYYNGUBXGAY-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP Cc1cc(NC[C@@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000133807532 178166384 /nfs/dbraw/zinc/16/63/84/178166384.db2.gz AZBXBNNMWJNIRH-LLVKDONJSA-N 2 2 234.347 1.930 10 0 BDAELP C[N@@H+]1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616612717 349580972 /nfs/dbraw/zinc/58/09/72/349580972.db2.gz YDBBYBQIQJDAQJ-SNVBAGLBSA-N 2 2 205.305 1.863 10 0 BDAELP C[N@H+]1CCC[C@@H](c2cccc(N)[nH+]2)CC1 ZINC000616612717 349580974 /nfs/dbraw/zinc/58/09/74/349580974.db2.gz YDBBYBQIQJDAQJ-SNVBAGLBSA-N 2 2 205.305 1.863 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cnnc3ccccc32)C1 ZINC000616612855 349596814 /nfs/dbraw/zinc/59/68/14/349596814.db2.gz ULGJEOYHDCPYBD-NSHDSACASA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cnnc3ccccc32)C1 ZINC000616612855 349596816 /nfs/dbraw/zinc/59/68/16/349596816.db2.gz ULGJEOYHDCPYBD-NSHDSACASA-N 2 2 242.326 1.378 10 0 BDAELP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335517779 398290142 /nfs/dbraw/zinc/29/01/42/398290142.db2.gz YTTFTTXQRCKFQS-QWRGUYRKSA-N 2 2 234.368 1.827 10 0 BDAELP c1nc(N[C@H]2CCC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000045948153 538993783 /nfs/dbraw/zinc/99/37/83/538993783.db2.gz IDCXMAFUSAFPDT-NSHDSACASA-N 2 2 247.346 1.241 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948199 538981898 /nfs/dbraw/zinc/98/18/98/538981898.db2.gz RVHQSAAZNXSOJS-HBIQZDMRSA-N 2 2 212.337 1.094 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000379948199 538981900 /nfs/dbraw/zinc/98/19/00/538981900.db2.gz RVHQSAAZNXSOJS-HBIQZDMRSA-N 2 2 212.337 1.094 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCSC[C@@H]1C ZINC000069762559 342839527 /nfs/dbraw/zinc/83/95/27/342839527.db2.gz UUZPBWDHOHIASN-VIFPVBQESA-N 2 2 202.367 1.422 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCSC[C@@H]1C ZINC000069762559 342839529 /nfs/dbraw/zinc/83/95/29/342839529.db2.gz UUZPBWDHOHIASN-VIFPVBQESA-N 2 2 202.367 1.422 10 0 BDAELP CN(CCC[NH3+])c1[nH+]c2ccccc2n1C ZINC000212219936 343059143 /nfs/dbraw/zinc/05/91/43/343059143.db2.gz OYFCIRXJBSXATB-UHFFFAOYSA-N 2 2 218.304 1.358 10 0 BDAELP C[N@H+]([C@@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000043501387 343098353 /nfs/dbraw/zinc/09/83/53/343098353.db2.gz HYAQEMZWGSOUSM-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP C[N@@H+]([C@@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000043501387 343098355 /nfs/dbraw/zinc/09/83/55/343098355.db2.gz HYAQEMZWGSOUSM-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400393080 529690628 /nfs/dbraw/zinc/69/06/28/529690628.db2.gz NTKNEXPYMQGAAT-XQQFMLRXSA-N 3 2 227.396 1.304 10 0 BDAELP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400393080 529690632 /nfs/dbraw/zinc/69/06/32/529690632.db2.gz NTKNEXPYMQGAAT-XQQFMLRXSA-N 3 2 227.396 1.304 10 0 BDAELP Cc1nccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)n1 ZINC000054790647 136373234 /nfs/dbraw/zinc/37/32/34/136373234.db2.gz UOHCDIPFEZLWFB-SNVBAGLBSA-N 2 2 231.303 1.160 10 0 BDAELP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042545297 343443165 /nfs/dbraw/zinc/44/31/65/343443165.db2.gz BJBKCVVGFIFJTQ-QWRGUYRKSA-N 2 2 214.353 1.484 10 0 BDAELP COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042545297 343443168 /nfs/dbraw/zinc/44/31/68/343443168.db2.gz BJBKCVVGFIFJTQ-QWRGUYRKSA-N 2 2 214.353 1.484 10 0 BDAELP [NH3+]CCC[N@@H+]1CCOc2ccc(Cl)cc2C1 ZINC000214514502 343792487 /nfs/dbraw/zinc/79/24/87/343792487.db2.gz YPMQENUZVNFCRF-UHFFFAOYSA-N 2 2 240.734 1.883 10 0 BDAELP [NH3+]CCC[N@H+]1CCOc2ccc(Cl)cc2C1 ZINC000214514502 343792489 /nfs/dbraw/zinc/79/24/89/343792489.db2.gz YPMQENUZVNFCRF-UHFFFAOYSA-N 2 2 240.734 1.883 10 0 BDAELP c1cn(CCN2CC[N@@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000179249371 346978061 /nfs/dbraw/zinc/97/80/61/346978061.db2.gz DGQCSNMIENPFME-CYBMUJFWSA-N 2 2 234.347 1.053 10 0 BDAELP c1cn(CCN2CC[N@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000179249371 346978064 /nfs/dbraw/zinc/97/80/64/346978064.db2.gz DGQCSNMIENPFME-CYBMUJFWSA-N 2 2 234.347 1.053 10 0 BDAELP [NH3+]CC[N@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409429592 343806013 /nfs/dbraw/zinc/80/60/13/343806013.db2.gz OTQJLZQOJWJNRS-BDAKNGLRSA-N 2 2 204.264 1.312 10 0 BDAELP [NH3+]CC[N@@H+]1C[C@H]2[C@@H](C1)CCCC2(F)F ZINC000409429592 343806015 /nfs/dbraw/zinc/80/60/15/343806015.db2.gz OTQJLZQOJWJNRS-BDAKNGLRSA-N 2 2 204.264 1.312 10 0 BDAELP C[C@H]1C[C@H]([NH3+])C[N@H+](C[Si](C)(C)C)C1 ZINC000401868957 343917100 /nfs/dbraw/zinc/91/71/00/343917100.db2.gz VBSWPIJILSGIHJ-UWVGGRQHSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@H]1C[C@H]([NH3+])C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868957 343917102 /nfs/dbraw/zinc/91/71/02/343917102.db2.gz VBSWPIJILSGIHJ-UWVGGRQHSA-N 2 2 200.402 1.533 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000044472535 345090828 /nfs/dbraw/zinc/09/08/28/345090828.db2.gz SHBWPHXRZZXSQE-RXMQYKEDSA-N 2 2 206.076 1.347 10 0 BDAELP c1ccc(C2([NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000216201125 345743235 /nfs/dbraw/zinc/74/32/35/345743235.db2.gz XWRVBLJLAKEOIU-LBPRGKRZSA-N 2 2 202.301 1.627 10 0 BDAELP C[C@H]1CCc2[nH+]c(C3CC[NH2+]CC3)cn2C1 ZINC000258046397 345778810 /nfs/dbraw/zinc/77/88/10/345778810.db2.gz AHEJVHBNDWFIDU-JTQLQIEISA-N 2 2 219.332 1.932 10 0 BDAELP COc1ccc2[nH]c([C@@H]3CC[NH2+]C3)[nH+]c2c1 ZINC000083187385 345915116 /nfs/dbraw/zinc/91/51/16/345915116.db2.gz FRQIDVPLXRHXHK-MRVPVSSYSA-N 2 2 217.272 1.648 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CC[NH2+]C2)O1 ZINC000669371691 537948385 /nfs/dbraw/zinc/94/83/85/537948385.db2.gz QEFGLKSVHNKOKI-HIFRSBDPSA-N 2 2 246.354 1.639 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CC[NH2+]C2)O1 ZINC000669371691 537948391 /nfs/dbraw/zinc/94/83/91/537948391.db2.gz QEFGLKSVHNKOKI-HIFRSBDPSA-N 2 2 246.354 1.639 10 0 BDAELP CC(C)(C)[C@H]([NH3+])C[N@@H+]1CCCOCC1 ZINC000061917757 346180180 /nfs/dbraw/zinc/18/01/80/346180180.db2.gz LNTMFWYIOWWDKX-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@H]([NH3+])C[N@H+]1CCCOCC1 ZINC000061917757 346180183 /nfs/dbraw/zinc/18/01/83/346180183.db2.gz LNTMFWYIOWWDKX-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP Cc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000061989874 179060675 /nfs/dbraw/zinc/06/06/75/179060675.db2.gz CVYVDEBLZXYNEG-AWEZNQCLSA-N 2 2 218.344 1.831 10 0 BDAELP Cc1cccc(CC[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000061989874 179060678 /nfs/dbraw/zinc/06/06/78/179060678.db2.gz CVYVDEBLZXYNEG-AWEZNQCLSA-N 2 2 218.344 1.831 10 0 BDAELP Cc1cccc(C[N@H+](CC[NH3+])C[C@H]2CCCO2)c1 ZINC000032103944 179072410 /nfs/dbraw/zinc/07/24/10/179072410.db2.gz GLEHDFCKVDHPNN-OAHLLOKOSA-N 2 2 248.370 1.935 10 0 BDAELP Cc1cccc(C[N@@H+](CC[NH3+])C[C@H]2CCCO2)c1 ZINC000032103944 179072413 /nfs/dbraw/zinc/07/24/13/179072413.db2.gz GLEHDFCKVDHPNN-OAHLLOKOSA-N 2 2 248.370 1.935 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000160294838 346447135 /nfs/dbraw/zinc/44/71/35/346447135.db2.gz ONVHVXHCFDWNBS-ZJUUUORDSA-N 2 2 221.304 1.264 10 0 BDAELP Cc1cccc(NC[C@H](C)[N@@H+]2CCOC[C@@H]2C)[nH+]1 ZINC000097096687 179148289 /nfs/dbraw/zinc/14/82/89/179148289.db2.gz AORQMIYKZJEEDU-STQMWFEESA-N 2 2 249.358 1.911 10 0 BDAELP Cc1cccc(NC[C@H](C)[N@H+]2CCOC[C@@H]2C)[nH+]1 ZINC000097096687 179148291 /nfs/dbraw/zinc/14/82/91/179148291.db2.gz AORQMIYKZJEEDU-STQMWFEESA-N 2 2 249.358 1.911 10 0 BDAELP Cc1ccccc1OCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000019933320 179310975 /nfs/dbraw/zinc/31/09/75/179310975.db2.gz HYXDVGZBMGEOOM-ZDUSSCGKSA-N 2 2 234.343 1.797 10 0 BDAELP Cc1ccccc1OCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000019933320 179310978 /nfs/dbraw/zinc/31/09/78/179310978.db2.gz HYXDVGZBMGEOOM-ZDUSSCGKSA-N 2 2 234.343 1.797 10 0 BDAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@H+](CCO)C1CC1 ZINC000043037115 179328752 /nfs/dbraw/zinc/32/87/52/179328752.db2.gz MFDFWDSDOIEKIJ-IUODEOHRSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[N@@H+](CCO)C1CC1 ZINC000043037115 179328754 /nfs/dbraw/zinc/32/87/54/179328754.db2.gz MFDFWDSDOIEKIJ-IUODEOHRSA-N 2 2 248.370 1.840 10 0 BDAELP CN(CC[NH3+])c1[nH+]c2ccc(F)cc2n1C ZINC000212501200 348657908 /nfs/dbraw/zinc/65/79/08/348657908.db2.gz LYNUYRCYSYJOCG-UHFFFAOYSA-N 2 2 222.267 1.107 10 0 BDAELP Cc1nc(N[C@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000383477381 348744514 /nfs/dbraw/zinc/74/45/14/348744514.db2.gz NLEKOURXIIGMFG-SSDOTTSWSA-N 2 2 216.235 1.179 10 0 BDAELP C[C@@H]1CCC[C@@H](C)[NH+]1CC1=[NH+]CCCN1 ZINC000669384916 538018377 /nfs/dbraw/zinc/01/83/77/538018377.db2.gz NGRNDOQKKYLVEN-GHMZBOCLSA-N 2 2 209.337 1.641 10 0 BDAELP CC(C)Cc1[nH+]c2c(n1C)[C@H]([NH3+])CCC2 ZINC000725253304 538036155 /nfs/dbraw/zinc/03/61/55/538036155.db2.gz BUNZUNHECNWQIE-SECBINFHSA-N 2 2 207.321 1.955 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCCCCC2=O)C1 ZINC000219069697 350111812 /nfs/dbraw/zinc/11/18/12/350111812.db2.gz QRMRGCBVQQZYCM-GHMZBOCLSA-N 2 2 210.321 1.311 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCCCCC2=O)C1 ZINC000219069697 350111815 /nfs/dbraw/zinc/11/18/15/350111815.db2.gz QRMRGCBVQQZYCM-GHMZBOCLSA-N 2 2 210.321 1.311 10 0 BDAELP Cc1[nH+]c2cc(Cl)ccn2c1CC[NH3+] ZINC000074376215 180080475 /nfs/dbraw/zinc/08/04/75/180080475.db2.gz DXQWZQPFRYKHQU-UHFFFAOYSA-N 2 2 209.680 1.797 10 0 BDAELP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1Cc1ccc(F)cc1 ZINC000616593481 350583505 /nfs/dbraw/zinc/58/35/05/350583505.db2.gz WWMVFGNFNHAIGM-STQMWFEESA-N 2 2 222.307 1.790 10 0 BDAELP C[N@H+]1CCC[C@H]([NH3+])[C@@H]1Cc1ccc(F)cc1 ZINC000616593481 350583507 /nfs/dbraw/zinc/58/35/07/350583507.db2.gz WWMVFGNFNHAIGM-STQMWFEESA-N 2 2 222.307 1.790 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000616601596 350782320 /nfs/dbraw/zinc/78/23/20/350782320.db2.gz QGQMRJVLRFMUAR-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000616601596 350782322 /nfs/dbraw/zinc/78/23/22/350782322.db2.gz QGQMRJVLRFMUAR-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP Nc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC000616608193 350800086 /nfs/dbraw/zinc/80/00/86/350800086.db2.gz NLTBFQVOPSCRBL-LBPRGKRZSA-N 2 2 205.305 1.364 10 0 BDAELP Nc1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC000616608193 350800093 /nfs/dbraw/zinc/80/00/93/350800093.db2.gz NLTBFQVOPSCRBL-LBPRGKRZSA-N 2 2 205.305 1.364 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccc(CCO)cc1 ZINC000616616764 350856098 /nfs/dbraw/zinc/85/60/98/350856098.db2.gz XHNRVTIVFVLGSI-HNNXBMFYSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccc(CCO)cc1 ZINC000616616764 350856101 /nfs/dbraw/zinc/85/61/01/350856101.db2.gz XHNRVTIVFVLGSI-HNNXBMFYSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)C1 ZINC000616620753 350945196 /nfs/dbraw/zinc/94/51/96/350945196.db2.gz NCGHLZPJICYUBU-GFCCVEGCSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)C1 ZINC000616620753 350945200 /nfs/dbraw/zinc/94/52/00/350945200.db2.gz NCGHLZPJICYUBU-GFCCVEGCSA-N 2 2 222.307 1.964 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCS[C@H](C)CC1 ZINC000306776779 351017861 /nfs/dbraw/zinc/01/78/61/351017861.db2.gz ZVBNPBAYTFWRKL-SFYZADRCSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCS[C@H](C)CC1 ZINC000306776779 351017865 /nfs/dbraw/zinc/01/78/65/351017865.db2.gz ZVBNPBAYTFWRKL-SFYZADRCSA-N 2 2 201.339 1.138 10 0 BDAELP Cc1sccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000306784424 351035450 /nfs/dbraw/zinc/03/54/50/351035450.db2.gz MBOATNWKHRXUMS-KWQFWETISA-N 2 2 210.346 1.978 10 0 BDAELP Cc1sccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000306784424 351035451 /nfs/dbraw/zinc/03/54/51/351035451.db2.gz MBOATNWKHRXUMS-KWQFWETISA-N 2 2 210.346 1.978 10 0 BDAELP CC(=O)Nc1cccc([C@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616632132 351110081 /nfs/dbraw/zinc/11/00/81/351110081.db2.gz GXUJNALZPAVRIS-ZDUSSCGKSA-N 2 2 247.342 1.393 10 0 BDAELP CC(=O)Nc1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616632132 351110082 /nfs/dbraw/zinc/11/00/82/351110082.db2.gz GXUJNALZPAVRIS-ZDUSSCGKSA-N 2 2 247.342 1.393 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc3nnccc32)C1 ZINC000616634567 351117172 /nfs/dbraw/zinc/11/71/72/351117172.db2.gz UBNBZAGGWLVXMR-NSHDSACASA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc3nnccc32)C1 ZINC000616634567 351117173 /nfs/dbraw/zinc/11/71/73/351117173.db2.gz UBNBZAGGWLVXMR-NSHDSACASA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cccnn1 ZINC000616624959 351092991 /nfs/dbraw/zinc/09/29/91/351092991.db2.gz JAXUXXLPWBZABE-LBPRGKRZSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cccnn1 ZINC000616624959 351092993 /nfs/dbraw/zinc/09/29/93/351092993.db2.gz JAXUXXLPWBZABE-LBPRGKRZSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccno2)CC1 ZINC000616627765 351096552 /nfs/dbraw/zinc/09/65/52/351096552.db2.gz LARJQESBMWVMMU-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccno2)CC1 ZINC000616627765 351096556 /nfs/dbraw/zinc/09/65/56/351096556.db2.gz LARJQESBMWVMMU-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CCN1c2ccccc2NC[C@H]1c1c[nH+]c[nH]1 ZINC000616685125 351254072 /nfs/dbraw/zinc/25/40/72/351254072.db2.gz AKPSVEGZGHULDU-ZDUSSCGKSA-N 2 2 243.314 1.342 10 0 BDAELP [NH3+]CCN1c2ccccc2NC[C@H]1c1c[nH]c[nH+]1 ZINC000616685125 351254075 /nfs/dbraw/zinc/25/40/75/351254075.db2.gz AKPSVEGZGHULDU-ZDUSSCGKSA-N 2 2 243.314 1.342 10 0 BDAELP CC[C@](C)([C@H](C)[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000307150788 351504971 /nfs/dbraw/zinc/50/49/71/351504971.db2.gz UOCVKBPRVHPNGA-GARJFASQSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)([C@H](C)[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000307150788 351504976 /nfs/dbraw/zinc/50/49/76/351504976.db2.gz UOCVKBPRVHPNGA-GARJFASQSA-N 2 2 200.326 1.223 10 0 BDAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSC1(C)C ZINC000307163141 351528212 /nfs/dbraw/zinc/52/82/12/351528212.db2.gz LONOGMCKXVCWFC-NXEZZACHSA-N 2 2 214.378 1.564 10 0 BDAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CSC1(C)C ZINC000307163141 351528218 /nfs/dbraw/zinc/52/82/18/351528218.db2.gz LONOGMCKXVCWFC-NXEZZACHSA-N 2 2 214.378 1.564 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336754651 353145719 /nfs/dbraw/zinc/14/57/19/353145719.db2.gz FTRYHXVZJHYGRF-QWHCGFSZSA-N 2 2 226.364 1.487 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336754651 353145722 /nfs/dbraw/zinc/14/57/22/353145722.db2.gz FTRYHXVZJHYGRF-QWHCGFSZSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)C[C@@H](C[NH3+])[N@@H+]1CCOC[C@H]1C ZINC000035774512 188103711 /nfs/dbraw/zinc/10/37/11/188103711.db2.gz WLDCWXKZCOYPCS-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)C[C@@H](C[NH3+])[N@H+]1CCOC[C@H]1C ZINC000035774512 188103713 /nfs/dbraw/zinc/10/37/13/188103713.db2.gz WLDCWXKZCOYPCS-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)C[C@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232174 188104293 /nfs/dbraw/zinc/10/42/93/188104293.db2.gz ALSSVABJHUPJOD-LLVKDONJSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)C[C@H](C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232174 188104294 /nfs/dbraw/zinc/10/42/94/188104294.db2.gz ALSSVABJHUPJOD-LLVKDONJSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022220864 188109095 /nfs/dbraw/zinc/10/90/95/188109095.db2.gz DRAVBJYOTRLFPR-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000022220864 188109097 /nfs/dbraw/zinc/10/90/97/188109097.db2.gz DRAVBJYOTRLFPR-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000042577546 188121148 /nfs/dbraw/zinc/12/11/48/188121148.db2.gz QGVULYLCLGGITO-YPMHNXCESA-N 2 2 238.379 1.786 10 0 BDAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000042577546 188121150 /nfs/dbraw/zinc/12/11/50/188121150.db2.gz QGVULYLCLGGITO-YPMHNXCESA-N 2 2 238.379 1.786 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2ccoc2C[NH3+])CCO1 ZINC000052477121 188126369 /nfs/dbraw/zinc/12/63/69/188126369.db2.gz MIVKQYRCOJXMQO-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2ccoc2C[NH3+])CCO1 ZINC000052477121 188126371 /nfs/dbraw/zinc/12/63/71/188126371.db2.gz MIVKQYRCOJXMQO-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CCc1[nH+]ccn1-c1ccc(F)cc1C(N)=[NH2+] ZINC000104236859 188151404 /nfs/dbraw/zinc/15/14/04/188151404.db2.gz OQKZRTDBDVMDJV-UHFFFAOYSA-N 2 2 232.262 1.858 10 0 BDAELP NC(=[NH2+])c1cccc(OCCCn2cc[nH+]c2)c1 ZINC000049328300 181195791 /nfs/dbraw/zinc/19/57/91/181195791.db2.gz RTXYTLCYGXYDJD-UHFFFAOYSA-N 2 2 244.298 1.636 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000191546554 355732114 /nfs/dbraw/zinc/73/21/14/355732114.db2.gz PNZNTRMFVUEUMC-GFCCVEGCSA-N 2 2 212.337 1.097 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000191546554 355732116 /nfs/dbraw/zinc/73/21/16/355732116.db2.gz PNZNTRMFVUEUMC-GFCCVEGCSA-N 2 2 212.337 1.097 10 0 BDAELP [NH3+]C[C@H]1CCC[N@H+](CC(=O)c2ccccc2)C1 ZINC000145360471 356481200 /nfs/dbraw/zinc/48/12/00/356481200.db2.gz RPUGQAUNSGKTRG-GFCCVEGCSA-N 2 2 232.327 1.540 10 0 BDAELP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)c2ccccc2)C1 ZINC000145360471 356481204 /nfs/dbraw/zinc/48/12/04/356481204.db2.gz RPUGQAUNSGKTRG-GFCCVEGCSA-N 2 2 232.327 1.540 10 0 BDAELP CCc1nc(N[C@@H]2CC[N@@H+](CC)C2)cc(C)[nH+]1 ZINC000389405905 356490301 /nfs/dbraw/zinc/49/03/01/356490301.db2.gz LVGMUXPWTSDEQN-LLVKDONJSA-N 2 2 234.347 1.275 10 0 BDAELP CCc1nc(N[C@@H]2CC[N@H+](CC)C2)cc(C)[nH+]1 ZINC000389405905 356490306 /nfs/dbraw/zinc/49/03/06/356490306.db2.gz LVGMUXPWTSDEQN-LLVKDONJSA-N 2 2 234.347 1.275 10 0 BDAELP [NH3+][C@@H]1C=C(c2occc2Br)C[NH2+]C1 ZINC000675078809 538515931 /nfs/dbraw/zinc/51/59/31/538515931.db2.gz TZPHETSRLSLQPY-SSDOTTSWSA-N 2 2 243.104 1.356 10 0 BDAELP [NH3+][C@@H]1C=C(c2cscc2Cl)C[NH2+]C1 ZINC000675078548 538515965 /nfs/dbraw/zinc/51/59/65/538515965.db2.gz QPWGJFJKQXITLR-SSDOTTSWSA-N 2 2 214.721 1.715 10 0 BDAELP [NH3+][C@H]1C=C(Cc2cncc(Cl)c2)C[NH2+]C1 ZINC000675078232 538516631 /nfs/dbraw/zinc/51/66/31/538516631.db2.gz OCCLASNPQVHWBV-NSHDSACASA-N 2 2 223.707 1.134 10 0 BDAELP CCc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cc1 ZINC000675077513 538512307 /nfs/dbraw/zinc/51/23/07/538512307.db2.gz FTBGZWGEBIGTRF-CYBMUJFWSA-N 2 2 202.301 1.563 10 0 BDAELP Cc1cccc(C2=C[C@H]([NH3+])C[NH2+]C2)c1C ZINC000675077392 538512656 /nfs/dbraw/zinc/51/26/56/538512656.db2.gz DFCUUBWFTOZBTF-LBPRGKRZSA-N 2 2 202.301 1.617 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@@H+]1C ZINC000130073918 357177744 /nfs/dbraw/zinc/17/77/44/357177744.db2.gz VNXXBSCOBQSFPZ-MWLCHTKSSA-N 2 2 210.346 1.930 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)C[N@H+]1C ZINC000130073918 357177746 /nfs/dbraw/zinc/17/77/46/357177746.db2.gz VNXXBSCOBQSFPZ-MWLCHTKSSA-N 2 2 210.346 1.930 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C2)CCO1 ZINC000389556468 538821946 /nfs/dbraw/zinc/82/19/46/538821946.db2.gz RTWGCXWLAWSJCJ-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C2)CCO1 ZINC000389556468 538821952 /nfs/dbraw/zinc/82/19/52/538821952.db2.gz RTWGCXWLAWSJCJ-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP Cc1cnc([C@H](C)[NH2+]CCCn2cc[nH+]c2)o1 ZINC000230644606 357543342 /nfs/dbraw/zinc/54/33/42/357543342.db2.gz NWQYJVTZBSLQCZ-NSHDSACASA-N 2 2 234.303 1.920 10 0 BDAELP CCC(CC)C[NH2+]C[C@@H]1C[N@H+](CC)CCO1 ZINC000159262788 538876363 /nfs/dbraw/zinc/87/63/63/538876363.db2.gz MRUFTSHHVAFXQZ-CYBMUJFWSA-N 2 2 228.380 1.733 10 0 BDAELP CCC(CC)C[NH2+]C[C@@H]1C[N@@H+](CC)CCO1 ZINC000159262788 538876366 /nfs/dbraw/zinc/87/63/66/538876366.db2.gz MRUFTSHHVAFXQZ-CYBMUJFWSA-N 2 2 228.380 1.733 10 0 BDAELP CC(C)[NH+](C(C)C)[C@@H]1CC[NH2+]C[C@H]1F ZINC000685948679 538891407 /nfs/dbraw/zinc/89/14/07/538891407.db2.gz TVDTXPOWZOBRGI-GHMZBOCLSA-N 2 2 202.317 1.805 10 0 BDAELP CC[NH+](CC)CCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000191507224 357777898 /nfs/dbraw/zinc/77/78/98/357777898.db2.gz VDBQHIMWZSDLCC-BETUJISGSA-N 2 2 228.380 1.828 10 0 BDAELP CC[NH+](CC)CCC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000191507224 357777902 /nfs/dbraw/zinc/77/79/02/357777902.db2.gz VDBQHIMWZSDLCC-BETUJISGSA-N 2 2 228.380 1.828 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191456575 357771482 /nfs/dbraw/zinc/77/14/82/357771482.db2.gz FPVAPGIFBNJKKX-LBPRGKRZSA-N 2 2 236.363 1.587 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000191456575 357771485 /nfs/dbraw/zinc/77/14/85/357771485.db2.gz FPVAPGIFBNJKKX-LBPRGKRZSA-N 2 2 236.363 1.587 10 0 BDAELP CC(C)[NH2+]CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000191469367 357772605 /nfs/dbraw/zinc/77/26/05/357772605.db2.gz XMCGRRVVQHTTMF-UHFFFAOYSA-N 2 2 236.363 1.587 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000193446261 357927931 /nfs/dbraw/zinc/92/79/31/357927931.db2.gz GKMMHITZTDKXLL-GFCCVEGCSA-N 2 2 236.363 1.207 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000193446261 357927932 /nfs/dbraw/zinc/92/79/32/357927932.db2.gz GKMMHITZTDKXLL-GFCCVEGCSA-N 2 2 236.363 1.207 10 0 BDAELP COc1ccc[nH+]c1N1C[C@H](C[NH3+])C[C@@H]1C ZINC000160299974 357972366 /nfs/dbraw/zinc/97/23/66/357972366.db2.gz FUTDVDKJMHYLDJ-UWVGGRQHSA-N 2 2 221.304 1.264 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CCCSC2)C1 ZINC000252686630 366431128 /nfs/dbraw/zinc/43/11/28/366431128.db2.gz JZLYMSUJPFJOQW-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCCSC2)C1 ZINC000252686630 366431136 /nfs/dbraw/zinc/43/11/36/366431136.db2.gz JZLYMSUJPFJOQW-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](C)C[N@@H+]1C/C=C/Cl ZINC000300343366 358967638 /nfs/dbraw/zinc/96/76/38/358967638.db2.gz LSWLLWDTATUJNE-AETUYUCGSA-N 2 2 202.729 1.811 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](C)C[N@H+]1C/C=C/Cl ZINC000300343366 358967642 /nfs/dbraw/zinc/96/76/42/358967642.db2.gz LSWLLWDTATUJNE-AETUYUCGSA-N 2 2 202.729 1.811 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3ncnc32)CC[N@@H+]1C ZINC000246992352 359181530 /nfs/dbraw/zinc/18/15/30/359181530.db2.gz JKZCVQMKDAQTMS-UTUOFQBUSA-N 2 2 249.362 1.185 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCCn3ncnc32)CC[N@H+]1C ZINC000246992352 359181534 /nfs/dbraw/zinc/18/15/34/359181534.db2.gz JKZCVQMKDAQTMS-UTUOFQBUSA-N 2 2 249.362 1.185 10 0 BDAELP C[C@@H]1COC[C@@H](C)[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000246747062 359161859 /nfs/dbraw/zinc/16/18/59/359161859.db2.gz HNZMBZMJZLAVPZ-JHJVBQTASA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@@H](C)[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000246747062 359161864 /nfs/dbraw/zinc/16/18/64/359161864.db2.gz HNZMBZMJZLAVPZ-JHJVBQTASA-N 2 2 226.364 1.580 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCSC[C@@H]1C ZINC000069762422 360423246 /nfs/dbraw/zinc/42/32/46/360423246.db2.gz OPBGRSYPHXHKTQ-UWVGGRQHSA-N 2 2 202.367 1.407 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCSC[C@@H]1C ZINC000069762422 360423249 /nfs/dbraw/zinc/42/32/49/360423249.db2.gz OPBGRSYPHXHKTQ-UWVGGRQHSA-N 2 2 202.367 1.407 10 0 BDAELP C[C@@H]1CCS[C@@](C)([C@H]2CC[NH2+]C2)[NH2+]1 ZINC000306553650 360426983 /nfs/dbraw/zinc/42/69/83/360426983.db2.gz DNUWWUMCCZSRQR-UTLUCORTSA-N 2 2 200.351 1.427 10 0 BDAELP CC(C)([NH3+])C[N@@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000306555265 360427705 /nfs/dbraw/zinc/42/77/05/360427705.db2.gz BTNOIGCKTSZLBZ-VHSXEESVSA-N 2 2 214.378 1.694 10 0 BDAELP CC(C)([NH3+])C[N@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000306555265 360427707 /nfs/dbraw/zinc/42/77/07/360427707.db2.gz BTNOIGCKTSZLBZ-VHSXEESVSA-N 2 2 214.378 1.694 10 0 BDAELP C[C@@H]1CC[NH2+][C@](C)([C@@H]2CC[NH2+]C2)S1 ZINC000306578119 360468170 /nfs/dbraw/zinc/46/81/70/360468170.db2.gz LVYDCKGVRZJPIS-BBBLOLIVSA-N 2 2 200.351 1.427 10 0 BDAELP [NH3+]C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000036754399 181344465 /nfs/dbraw/zinc/34/44/65/181344465.db2.gz YDVFBVTYOJECMP-LBPRGKRZSA-N 2 2 248.326 1.250 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630359664 364079125 /nfs/dbraw/zinc/07/91/25/364079125.db2.gz DHYBNUQUHXBHBD-STQMWFEESA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccccn2)[C@](C)(C[NH3+])C1 ZINC000630359664 364079132 /nfs/dbraw/zinc/07/91/32/364079132.db2.gz DHYBNUQUHXBHBD-STQMWFEESA-N 2 2 235.331 1.020 10 0 BDAELP COc1ccc[nH+]c1N1CCC(C)([NH3+])CC1 ZINC000630514208 364199905 /nfs/dbraw/zinc/19/99/05/364199905.db2.gz SPTPXDACIIYBAE-UHFFFAOYSA-N 2 2 221.304 1.408 10 0 BDAELP Cc1cc[nH+]c(NCC2([NH3+])CCOCC2)c1 ZINC000630527782 364214604 /nfs/dbraw/zinc/21/46/04/364214604.db2.gz VMDFJVGZBMIDSJ-UHFFFAOYSA-N 2 2 221.304 1.310 10 0 BDAELP Cc1cc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)nc[nH+]1 ZINC000630539846 364234774 /nfs/dbraw/zinc/23/47/74/364234774.db2.gz LLKKQVSJVJZANJ-BETUJISGSA-N 2 2 232.331 1.221 10 0 BDAELP C[C@@H]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C[NH2+]1 ZINC000630534851 364229830 /nfs/dbraw/zinc/22/98/30/364229830.db2.gz PUMFWWOVMRUDFU-NXEZZACHSA-N 2 2 230.315 1.537 10 0 BDAELP [NH3+]CC[C@H](Nc1cccc[nH+]1)C(F)F ZINC000383216697 367607217 /nfs/dbraw/zinc/60/72/17/367607217.db2.gz ABHTVKKFAJBUBL-ZETCQYMHSA-N 2 2 201.220 1.476 10 0 BDAELP [NH3+]CCN1CCc2ccccc2[C@@H]1c1[nH]cc[nH+]1 ZINC000616693349 369115617 /nfs/dbraw/zinc/11/56/17/369115617.db2.gz YBCFXXGNHOZKEP-CYBMUJFWSA-N 2 2 242.326 1.316 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1cc(Cl)ccc1F ZINC000162992375 371905126 /nfs/dbraw/zinc/90/51/26/371905126.db2.gz DPESXUVJXLRYEO-VIFPVBQESA-N 2 2 202.660 1.698 10 0 BDAELP Cc1sc([C@@H]([NH3+])C[NH3+])cc1Br ZINC000227862270 371949199 /nfs/dbraw/zinc/94/91/99/371949199.db2.gz IIXVAVYVUXIHDM-LURJTMIESA-N 2 2 235.150 1.778 10 0 BDAELP CC(C)n1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841162 372638227 /nfs/dbraw/zinc/63/82/27/372638227.db2.gz YYBGFOJQDGTUAY-RYUDHWBXSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841162 372638230 /nfs/dbraw/zinc/63/82/30/372638230.db2.gz YYBGFOJQDGTUAY-RYUDHWBXSA-N 2 2 236.363 1.491 10 0 BDAELP C[NH+](C)[C@@H](C[NH3+])C1=Cc2ccccc2OC1 ZINC000041166610 374115972 /nfs/dbraw/zinc/11/59/72/374115972.db2.gz RVVMXOGQQRZUBV-LBPRGKRZSA-N 2 2 218.300 1.351 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000328388639 170020988 /nfs/dbraw/zinc/02/09/88/170020988.db2.gz XFHSOMTVBPREON-NSHDSACASA-N 2 2 214.353 1.343 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000328388639 170020990 /nfs/dbraw/zinc/02/09/90/170020990.db2.gz XFHSOMTVBPREON-NSHDSACASA-N 2 2 214.353 1.343 10 0 BDAELP OC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)CCCCC1 ZINC000049567650 183020505 /nfs/dbraw/zinc/02/05/05/183020505.db2.gz IEDOSDHMZUNZJM-QWHCGFSZSA-N 2 2 238.375 1.508 10 0 BDAELP OC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]23)CCCCC1 ZINC000049567650 183020507 /nfs/dbraw/zinc/02/05/07/183020507.db2.gz IEDOSDHMZUNZJM-QWHCGFSZSA-N 2 2 238.375 1.508 10 0 BDAELP OC1(C[NH2+]CCn2cc[nH+]c2)CCCCCC1 ZINC000042541284 183020686 /nfs/dbraw/zinc/02/06/86/183020686.db2.gz KPBNZFVCRDPXFX-UHFFFAOYSA-N 2 2 237.347 1.558 10 0 BDAELP OC[C@@H](c1cccs1)[N@@H+]1CCC[NH2+]CC1 ZINC000041673140 183114059 /nfs/dbraw/zinc/11/40/59/183114059.db2.gz WCWLHFZLGPKZJE-JTQLQIEISA-N 2 2 226.345 1.077 10 0 BDAELP OC[C@@H](c1cccs1)[N@H+]1CCC[NH2+]CC1 ZINC000041673140 183114061 /nfs/dbraw/zinc/11/40/61/183114061.db2.gz WCWLHFZLGPKZJE-JTQLQIEISA-N 2 2 226.345 1.077 10 0 BDAELP OC[C@@H](c1ccsc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117360 183114640 /nfs/dbraw/zinc/11/46/40/183114640.db2.gz KDTGZDHWYUNDDE-NSHDSACASA-N 2 2 226.345 1.077 10 0 BDAELP OC[C@@H](c1ccsc1)[N@H+]1CCC[NH2+]CC1 ZINC000038117360 183114642 /nfs/dbraw/zinc/11/46/42/183114642.db2.gz KDTGZDHWYUNDDE-NSHDSACASA-N 2 2 226.345 1.077 10 0 BDAELP O[C@H]1CCC[C@@H]1C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942169 183237213 /nfs/dbraw/zinc/23/72/13/183237213.db2.gz QUICEFGTZGPJLX-MCIONIFRSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@H]1CCC[C@@H]1C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942169 183237215 /nfs/dbraw/zinc/23/72/15/183237215.db2.gz QUICEFGTZGPJLX-MCIONIFRSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@H]1CCC[C@@H]1C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942169 183237217 /nfs/dbraw/zinc/23/72/17/183237217.db2.gz QUICEFGTZGPJLX-MCIONIFRSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@H]1CCC[C@@H]1C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942169 183237219 /nfs/dbraw/zinc/23/72/19/183237219.db2.gz QUICEFGTZGPJLX-MCIONIFRSA-N 2 2 238.375 1.318 10 0 BDAELP CCC[NH+]1CCC([NH+]2CCC[NH2+]CCC2)CC1 ZINC000049667955 169186321 /nfs/dbraw/zinc/18/63/21/169186321.db2.gz JSPVSGDFVNAJQZ-UHFFFAOYSA-N 3 2 239.407 1.546 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655940 169207707 /nfs/dbraw/zinc/20/77/07/169207707.db2.gz XMOZGVBWDAJKOY-QWHCGFSZSA-N 2 2 226.364 1.582 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655940 169207709 /nfs/dbraw/zinc/20/77/09/169207709.db2.gz XMOZGVBWDAJKOY-QWHCGFSZSA-N 2 2 226.364 1.582 10 0 BDAELP CCC[NH2+]C1(c2nccs2)CC[NH2+]CC1 ZINC000041061307 169254563 /nfs/dbraw/zinc/25/45/63/169254563.db2.gz XRDSRTSKRFRGSV-UHFFFAOYSA-N 2 2 225.361 1.721 10 0 BDAELP c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096895849 183398300 /nfs/dbraw/zinc/39/83/00/183398300.db2.gz PSWSKJYQNGHGOU-CABCVRRESA-N 2 2 246.354 1.639 10 0 BDAELP c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096895849 183398302 /nfs/dbraw/zinc/39/83/02/183398302.db2.gz PSWSKJYQNGHGOU-CABCVRRESA-N 2 2 246.354 1.639 10 0 BDAELP CCCO[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000051783321 169313121 /nfs/dbraw/zinc/31/31/21/169313121.db2.gz NRWCVDDKQACDGF-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CCCO[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC000051783321 169313122 /nfs/dbraw/zinc/31/31/22/169313122.db2.gz NRWCVDDKQACDGF-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP c1cn(CCC[NH2+]CC2CCOCC2)c[nH+]1 ZINC000052175905 183468106 /nfs/dbraw/zinc/46/81/06/183468106.db2.gz YKZFQSHCTBUVGN-UHFFFAOYSA-N 2 2 223.320 1.289 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000069796678 383844985 /nfs/dbraw/zinc/84/49/85/383844985.db2.gz AWKWXITXBWLLJK-JQWIXIFHSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000069796678 383844999 /nfs/dbraw/zinc/84/49/99/383844999.db2.gz AWKWXITXBWLLJK-JQWIXIFHSA-N 2 2 222.336 1.022 10 0 BDAELP CC(C)[C@@H]([NH3+])CCN(C)c1cccc[nH+]1 ZINC000227738368 134385452 /nfs/dbraw/zinc/38/54/52/134385452.db2.gz QDLUIEMFWKCEMU-NSHDSACASA-N 2 2 207.321 1.891 10 0 BDAELP C[C@@]([NH3+])(CCO)c1[nH+]ccc2[nH]ccc21 ZINC000089220668 383949954 /nfs/dbraw/zinc/94/99/54/383949954.db2.gz FRWJOSXXVSHBAU-LLVKDONJSA-N 2 2 205.261 1.119 10 0 BDAELP C[C@@H]([NH3+])[C@@H](c1cccs1)n1cc[nH+]c1 ZINC000043106991 384199326 /nfs/dbraw/zinc/19/93/26/384199326.db2.gz JKCXSVVELOGKFU-SCZZXKLOSA-N 2 2 207.302 1.881 10 0 BDAELP C[N@@H+](Cc1cnc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000095071296 384341006 /nfs/dbraw/zinc/34/10/06/384341006.db2.gz AACOUCAXXMHSID-MRVPVSSYSA-N 2 2 245.779 1.838 10 0 BDAELP C[N@H+](Cc1cnc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000095071296 384341009 /nfs/dbraw/zinc/34/10/09/384341009.db2.gz AACOUCAXXMHSID-MRVPVSSYSA-N 2 2 245.779 1.838 10 0 BDAELP [NH3+][C@H](CCO)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095077228 384353136 /nfs/dbraw/zinc/35/31/36/384353136.db2.gz MGUFXDGIOHHUKA-CABCVRRESA-N 2 2 248.370 1.751 10 0 BDAELP [NH3+][C@H](CCO)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095077228 384353139 /nfs/dbraw/zinc/35/31/39/384353139.db2.gz MGUFXDGIOHHUKA-CABCVRRESA-N 2 2 248.370 1.751 10 0 BDAELP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068323 384330657 /nfs/dbraw/zinc/33/06/57/384330657.db2.gz VLJHWKMPVUHAHI-VWYCJHECSA-N 2 2 220.320 1.397 10 0 BDAELP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068375 384331241 /nfs/dbraw/zinc/33/12/41/384331241.db2.gz OPGHEEIQYQIDLS-MNOVXSKESA-N 2 2 220.320 1.127 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cncn1C ZINC000085168926 384506977 /nfs/dbraw/zinc/50/69/77/384506977.db2.gz DTXKSRFYXPSZIY-JQWIXIFHSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cncn1C 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385025778 /nfs/dbraw/zinc/02/57/78/385025778.db2.gz SDQBNWPUAFZQSA-SNVBAGLBSA-N 2 2 225.361 1.717 10 0 BDAELP C[N@@H+](Cc1ccns1)[C@@H]1CCC[NH2+]CC1 ZINC000404513128 385025785 /nfs/dbraw/zinc/02/57/85/385025785.db2.gz SDQBNWPUAFZQSA-SNVBAGLBSA-N 2 2 225.361 1.717 10 0 BDAELP C[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000192984679 385379422 /nfs/dbraw/zinc/37/94/22/385379422.db2.gz RSLKIZCDQVTOQZ-VXGBXAGGSA-N 2 2 235.331 1.196 10 0 BDAELP C[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000192984679 385379427 /nfs/dbraw/zinc/37/94/27/385379427.db2.gz RSLKIZCDQVTOQZ-VXGBXAGGSA-N 2 2 235.331 1.196 10 0 BDAELP COc1ccc[nH+]c1N[C@H](C)C[C@@H](C)[NH3+] ZINC000165736115 385411626 /nfs/dbraw/zinc/41/16/26/385411626.db2.gz ZCPHAMKWGGDQKB-RKDXNWHRSA-N 2 2 209.293 1.628 10 0 BDAELP CO[C@@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182183266 385642043 /nfs/dbraw/zinc/64/20/43/385642043.db2.gz QCJBXJXAGBBHFX-QWHCGFSZSA-N 2 2 249.358 1.850 10 0 BDAELP CO[C@@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182183266 385642047 /nfs/dbraw/zinc/64/20/47/385642047.db2.gz QCJBXJXAGBBHFX-QWHCGFSZSA-N 2 2 249.358 1.850 10 0 BDAELP COC[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC1 ZINC000397228913 386055643 /nfs/dbraw/zinc/05/56/43/386055643.db2.gz DQMNKBRHHDRHPN-WCQGTBRESA-N 2 2 212.337 1.142 10 0 BDAELP c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)nc1 ZINC000066745950 386705856 /nfs/dbraw/zinc/70/58/56/386705856.db2.gz OBLQQPCKFUAISP-GFCCVEGCSA-N 2 2 233.315 1.357 10 0 BDAELP c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)[nH+]c1 ZINC000066745950 386705865 /nfs/dbraw/zinc/70/58/65/386705865.db2.gz OBLQQPCKFUAISP-GFCCVEGCSA-N 2 2 233.315 1.357 10 0 BDAELP c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)[nH+]c1 ZINC000066745950 386705870 /nfs/dbraw/zinc/70/58/70/386705870.db2.gz OBLQQPCKFUAISP-GFCCVEGCSA-N 2 2 233.315 1.357 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000121232439 387316466 /nfs/dbraw/zinc/31/64/66/387316466.db2.gz MUOSFZJRDNSMKM-UBHSHLNASA-N 2 2 240.391 1.730 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000121232439 387316469 /nfs/dbraw/zinc/31/64/69/387316469.db2.gz MUOSFZJRDNSMKM-UBHSHLNASA-N 2 2 240.391 1.730 10 0 BDAELP C[C@@H]1C[C@]2(CC[NH2+]1)[NH2+][C@@H](C)CCS2 ZINC000575512948 387385987 /nfs/dbraw/zinc/38/59/87/387385987.db2.gz VWDIYHPDRIHIQS-IVZWLZJFSA-N 2 2 200.351 1.570 10 0 BDAELP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000422742047 387648359 /nfs/dbraw/zinc/64/83/59/387648359.db2.gz QYUKBKLFXLNFMH-STQMWFEESA-N 2 2 220.316 1.326 10 0 BDAELP CC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000151016255 387792664 /nfs/dbraw/zinc/79/26/64/387792664.db2.gz SXRMZESPJNFIHC-KOLCDFICSA-N 2 2 207.321 1.894 10 0 BDAELP Cc1cnc(C[NH2+][C@@H]2CCC[NH2+]CC2)s1 ZINC000235926584 388376188 /nfs/dbraw/zinc/37/61/88/388376188.db2.gz KSZLKGAXYIXMEP-SNVBAGLBSA-N 2 2 225.361 1.683 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000335595623 388451938 /nfs/dbraw/zinc/45/19/38/388451938.db2.gz FGPDODVZUPFFDU-QWRGUYRKSA-N 2 2 233.315 1.139 10 0 BDAELP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C1)OC ZINC000378738193 388493390 /nfs/dbraw/zinc/49/33/90/388493390.db2.gz GRURFHJIZKZHKG-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C1)OC ZINC000378738193 388493392 /nfs/dbraw/zinc/49/33/92/388493392.db2.gz GRURFHJIZKZHKG-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP COC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000246327481 388630950 /nfs/dbraw/zinc/63/09/50/388630950.db2.gz XMVJPTFBBLXTJR-GRYCIOLGSA-N 2 2 214.353 1.340 10 0 BDAELP COC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246327481 388630952 /nfs/dbraw/zinc/63/09/52/388630952.db2.gz XMVJPTFBBLXTJR-GRYCIOLGSA-N 2 2 214.353 1.340 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC[C@H]1C ZINC000249097550 388707895 /nfs/dbraw/zinc/70/78/95/388707895.db2.gz MNSOPDOFODBEKM-MCIONIFRSA-N 2 2 242.407 1.977 10 0 BDAELP Cc1cc(N2CCC[C@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000041030287 132223997 /nfs/dbraw/zinc/22/39/97/132223997.db2.gz MXEPYWSWOBKOCJ-NSHDSACASA-N 2 2 234.347 1.836 10 0 BDAELP CCCc1cc(N2CC[NH2+]CC2)nc(CC)[nH+]1 ZINC000045950789 132299103 /nfs/dbraw/zinc/29/91/03/132299103.db2.gz NFOJWQCORFCRGA-UHFFFAOYSA-N 2 2 234.347 1.401 10 0 BDAELP CCc1nc(N2CC[NH2+]CC2)cc(C(C)C)[nH+]1 ZINC000045950786 132299294 /nfs/dbraw/zinc/29/92/94/132299294.db2.gz GCVMDIUFVKQKOX-UHFFFAOYSA-N 2 2 234.347 1.572 10 0 BDAELP Cc1cn2c(cccc2N2CC[NH2+]CC2)[nH+]1 ZINC000036220546 132340480 /nfs/dbraw/zinc/34/04/80/132340480.db2.gz ZSLOARCOQIXTKW-UHFFFAOYSA-N 2 2 216.288 1.052 10 0 BDAELP CC[NH+]1CCN(c2[nH+]c(C)ccc2N)CC1 ZINC000036250670 132341193 /nfs/dbraw/zinc/34/11/93/132341193.db2.gz AFFGWCWDLCKBDP-UHFFFAOYSA-N 2 2 220.320 1.114 10 0 BDAELP CC[C@@H]([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000036871960 132342645 /nfs/dbraw/zinc/34/26/45/132342645.db2.gz YWRLRYHFMCBZSP-CYBMUJFWSA-N 2 2 233.359 1.546 10 0 BDAELP C[NH+](C)CC1CCN(c2cccc(CO)[nH+]2)CC1 ZINC000051042094 132359800 /nfs/dbraw/zinc/35/98/00/132359800.db2.gz SYKGUHAIJOCKIB-UHFFFAOYSA-N 2 2 249.358 1.352 10 0 BDAELP C[C@@H]1CN(c2cc[nH+]c(C[NH3+])c2)CC(C)(C)O1 ZINC000051397719 132360386 /nfs/dbraw/zinc/36/03/86/132360386.db2.gz ORXWGOCMBDSDQZ-SNVBAGLBSA-N 2 2 235.331 1.544 10 0 BDAELP C[C@@H]1CN(c2ccc([NH+](C)C)cc2)CC[NH2+]1 ZINC000054348195 132363960 /nfs/dbraw/zinc/36/39/60/132363960.db2.gz QEUXLZUHNVBKQU-LLVKDONJSA-N 2 2 219.332 1.551 10 0 BDAELP CC[C@H]1CN(c2ccc(C)[nH+]c2)[C@H](C)C[NH2+]1 ZINC000083350072 132422217 /nfs/dbraw/zinc/42/22/17/132422217.db2.gz LKKJQAWSYIVTGK-NEPJUHHUSA-N 2 2 219.332 1.967 10 0 BDAELP C[C@@H]1C[N@@H+](C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000178984578 134314105 /nfs/dbraw/zinc/31/41/05/134314105.db2.gz MMXYCJIIOIICPK-GFCCVEGCSA-N 2 2 238.375 1.724 10 0 BDAELP C[C@@H]1C[N@H+](C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000178984578 134314106 /nfs/dbraw/zinc/31/41/06/134314106.db2.gz MMXYCJIIOIICPK-GFCCVEGCSA-N 2 2 238.375 1.724 10 0 BDAELP C[C@@H]([NH2+]CC(N)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656041 134330610 /nfs/dbraw/zinc/33/06/10/134330610.db2.gz ZBPUQMTYXWXRQO-SNVBAGLBSA-N 2 2 244.298 1.008 10 0 BDAELP CCCC[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226858826 134370410 /nfs/dbraw/zinc/37/04/10/134370410.db2.gz UCJVRXZIZPMBQX-KBPBESRZSA-N 2 2 240.391 1.829 10 0 BDAELP CCCC[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226858826 134370411 /nfs/dbraw/zinc/37/04/11/134370411.db2.gz UCJVRXZIZPMBQX-KBPBESRZSA-N 2 2 240.391 1.829 10 0 BDAELP C[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248656580 135018364 /nfs/dbraw/zinc/01/83/64/135018364.db2.gz RSLKIZCDQVTOQZ-RYUDHWBXSA-N 2 2 235.331 1.196 10 0 BDAELP C[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000248656580 135018365 /nfs/dbraw/zinc/01/83/65/135018365.db2.gz RSLKIZCDQVTOQZ-RYUDHWBXSA-N 2 2 235.331 1.196 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC000248713427 135019293 /nfs/dbraw/zinc/01/92/93/135019293.db2.gz DIHDSBNJRMSJBD-RYUDHWBXSA-N 2 2 237.347 1.463 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC000248713427 135019294 /nfs/dbraw/zinc/01/92/94/135019294.db2.gz DIHDSBNJRMSJBD-RYUDHWBXSA-N 2 2 237.347 1.463 10 0 BDAELP Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000248903868 135026432 /nfs/dbraw/zinc/02/64/32/135026432.db2.gz WCNIPKCROOZMNA-LBPRGKRZSA-N 2 2 232.331 1.378 10 0 BDAELP Cc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000248903868 135026434 /nfs/dbraw/zinc/02/64/34/135026434.db2.gz WCNIPKCROOZMNA-LBPRGKRZSA-N 2 2 232.331 1.378 10 0 BDAELP CC(C)[NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000252761984 135107832 /nfs/dbraw/zinc/10/78/32/135107832.db2.gz YOWCJGXHTLYWGU-RYUDHWBXSA-N 2 2 212.337 1.238 10 0 BDAELP CC(C)[NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000252761984 135107833 /nfs/dbraw/zinc/10/78/33/135107833.db2.gz YOWCJGXHTLYWGU-RYUDHWBXSA-N 2 2 212.337 1.238 10 0 BDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1sccc1Cl ZINC000261539235 135177835 /nfs/dbraw/zinc/17/78/35/135177835.db2.gz BWXDUPABKDANRM-APPZFPTMSA-N 2 2 246.763 1.071 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000261543263 135183836 /nfs/dbraw/zinc/18/38/36/135183836.db2.gz SHEOKYHDYYLYJN-CMPLNLGQSA-N 2 2 237.322 1.637 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@H]1C[NH3+] ZINC000261543263 135183838 /nfs/dbraw/zinc/18/38/38/135183838.db2.gz SHEOKYHDYYLYJN-CMPLNLGQSA-N 2 2 237.322 1.637 10 0 BDAELP Cc1nn(C)cc1C[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261544736 135186112 /nfs/dbraw/zinc/18/61/12/135186112.db2.gz ZMCAAROCGYLHHB-GWCFXTLKSA-N 2 2 236.363 1.288 10 0 BDAELP Cc1nn(C)cc1C[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000261544736 135186113 /nfs/dbraw/zinc/18/61/13/135186113.db2.gz ZMCAAROCGYLHHB-GWCFXTLKSA-N 2 2 236.363 1.288 10 0 BDAELP Cc1ncccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261554620 135194654 /nfs/dbraw/zinc/19/46/54/135194654.db2.gz PCKFAUFDMGWGKK-BXUZGUMPSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1ncccc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000261554620 135194655 /nfs/dbraw/zinc/19/46/55/135194655.db2.gz PCKFAUFDMGWGKK-BXUZGUMPSA-N 2 2 233.359 1.949 10 0 BDAELP C[C@]1(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929155 135263685 /nfs/dbraw/zinc/26/36/85/135263685.db2.gz CORDTRADEKJZMB-YPMHNXCESA-N 3 2 225.380 1.045 10 0 BDAELP C[C@]1(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929155 135263686 /nfs/dbraw/zinc/26/36/86/135263686.db2.gz CORDTRADEKJZMB-YPMHNXCESA-N 3 2 225.380 1.045 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000335305472 136022151 /nfs/dbraw/zinc/02/21/51/136022151.db2.gz WRGSTXKOPZEFSZ-GHMZBOCLSA-N 2 2 222.336 1.243 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000335305474 136022280 /nfs/dbraw/zinc/02/22/80/136022280.db2.gz WRGSTXKOPZEFSZ-QWRGUYRKSA-N 2 2 222.336 1.243 10 0 BDAELP Cn1cc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)cn1 ZINC000162933400 397784531 /nfs/dbraw/zinc/78/45/31/397784531.db2.gz QGIQTMNREZESQR-ZDUSSCGKSA-N 2 2 245.330 1.454 10 0 BDAELP Cn1cc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)cn1 ZINC000162933400 397784533 /nfs/dbraw/zinc/78/45/33/397784533.db2.gz QGIQTMNREZESQR-ZDUSSCGKSA-N 2 2 245.330 1.454 10 0 BDAELP C[NH2+]CC[C@@H](C)[N@@H+]1CCOCC1(C)C ZINC000052546101 173357580 /nfs/dbraw/zinc/35/75/80/173357580.db2.gz LTCBLTVFMNBEQW-SNVBAGLBSA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]CC[C@@H](C)[N@H+]1CCOCC1(C)C ZINC000052546101 173357581 /nfs/dbraw/zinc/35/75/81/173357581.db2.gz LTCBLTVFMNBEQW-SNVBAGLBSA-N 2 2 200.326 1.095 10 0 BDAELP Cn1c2ccccc2[nH+]c1NCC[NH2+]C1CC1 ZINC000079048107 487568926 /nfs/dbraw/zinc/56/89/26/487568926.db2.gz GVRFAYDBCUFBLE-UHFFFAOYSA-N 2 2 230.315 1.737 10 0 BDAELP CC(C)OCCC[NH2+]CC[NH+]1CCCC1 ZINC000041626565 167221049 /nfs/dbraw/zinc/22/10/49/167221049.db2.gz DRBHNCMMMSZMLN-UHFFFAOYSA-N 2 2 214.353 1.487 10 0 BDAELP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000394511239 410805800 /nfs/dbraw/zinc/80/58/00/410805800.db2.gz ZCLFSFWYGZBVQM-GHMZBOCLSA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000394511239 410805804 /nfs/dbraw/zinc/80/58/04/410805804.db2.gz ZCLFSFWYGZBVQM-GHMZBOCLSA-N 2 2 248.317 1.471 10 0 BDAELP CC(C)[NH2+]C[C@@H](O)COc1ccc2[nH]c[nH+]c2c1 ZINC000116456360 167110853 /nfs/dbraw/zinc/11/08/53/167110853.db2.gz OGDPAKNSPMBCOT-SNVBAGLBSA-N 2 2 249.314 1.301 10 0 BDAELP CC(C)OCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224842020 167235691 /nfs/dbraw/zinc/23/56/91/167235691.db2.gz UCQAQJWVMDLABR-VXGBXAGGSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)OCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000224842020 167235694 /nfs/dbraw/zinc/23/56/94/167235694.db2.gz UCQAQJWVMDLABR-VXGBXAGGSA-N 2 2 214.353 1.471 10 0 BDAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C(C)(C)C ZINC000304263098 411356531 /nfs/dbraw/zinc/35/65/31/411356531.db2.gz UGYZWKQMASWHIL-WDEREUQCSA-N 2 2 225.336 1.268 10 0 BDAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccccn2)CC1 ZINC000019398471 168186351 /nfs/dbraw/zinc/18/63/51/168186351.db2.gz AIAGOMVDVFDSBU-ZDUSSCGKSA-N 2 2 219.332 1.813 10 0 BDAELP Cc1[nH+]cc(C[NH2+][C@H](C)[C@H]2CCCO2)n1C ZINC000657308810 411457892 /nfs/dbraw/zinc/45/78/92/411457892.db2.gz CCOOIACPKVODEQ-BXKDBHETSA-N 2 2 223.320 1.386 10 0 BDAELP O[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657360827 411476800 /nfs/dbraw/zinc/47/68/00/411476800.db2.gz VIWHDQNNLMZUGK-NEPJUHHUSA-N 2 2 235.331 1.222 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000328469959 170013920 /nfs/dbraw/zinc/01/39/20/170013920.db2.gz KWSMHZRLNHOPIS-DGCLKSJQSA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000328469959 170013921 /nfs/dbraw/zinc/01/39/21/170013921.db2.gz KWSMHZRLNHOPIS-DGCLKSJQSA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000328286476 170021620 /nfs/dbraw/zinc/02/16/20/170021620.db2.gz SZSOZZLZYSUFOQ-QWRGUYRKSA-N 2 2 214.378 1.423 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000328286476 170021622 /nfs/dbraw/zinc/02/16/22/170021622.db2.gz SZSOZZLZYSUFOQ-QWRGUYRKSA-N 2 2 214.378 1.423 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000328352589 170022117 /nfs/dbraw/zinc/02/21/17/170022117.db2.gz NVUWBKPBBKDLBR-YPMHNXCESA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000328352589 170022118 /nfs/dbraw/zinc/02/21/18/170022118.db2.gz NVUWBKPBBKDLBR-YPMHNXCESA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000328469960 170022238 /nfs/dbraw/zinc/02/22/38/170022238.db2.gz KWSMHZRLNHOPIS-WCQYABFASA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000328469960 170022239 /nfs/dbraw/zinc/02/22/39/170022239.db2.gz KWSMHZRLNHOPIS-WCQYABFASA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779234 170029203 /nfs/dbraw/zinc/02/92/03/170029203.db2.gz NQAZRYUFEJRRHL-NEPJUHHUSA-N 2 2 228.380 1.589 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779234 170029204 /nfs/dbraw/zinc/02/92/04/170029204.db2.gz NQAZRYUFEJRRHL-NEPJUHHUSA-N 2 2 228.380 1.589 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000339526787 170038211 /nfs/dbraw/zinc/03/82/11/170038211.db2.gz FDKYGFORJRDZEL-CYZMBNFOSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000339526787 170038212 /nfs/dbraw/zinc/03/82/12/170038212.db2.gz FDKYGFORJRDZEL-CYZMBNFOSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000309648564 170038247 /nfs/dbraw/zinc/03/82/47/170038247.db2.gz NFBHLOYJEYNESC-YNEHKIRRSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000309648564 170038248 /nfs/dbraw/zinc/03/82/48/170038248.db2.gz NFBHLOYJEYNESC-YNEHKIRRSA-N 2 2 226.364 1.343 10 0 BDAELP CC[NH2+]C[C@@H](CC)[N@H+](C)CCc1ccncc1 ZINC000052483043 170119193 /nfs/dbraw/zinc/11/91/93/170119193.db2.gz MJZUHBYHGNQAOR-CQSZACIVSA-N 2 2 235.375 1.944 10 0 BDAELP CC[NH2+]C[C@@H](CC)[N@@H+](C)CCc1ccncc1 ZINC000052483043 170119194 /nfs/dbraw/zinc/11/91/94/170119194.db2.gz MJZUHBYHGNQAOR-CQSZACIVSA-N 2 2 235.375 1.944 10 0 BDAELP CC[NH2+]Cc1c(-n2cc[nH+]c2)nc2sccn12 ZINC000035430378 170123437 /nfs/dbraw/zinc/12/34/37/170123437.db2.gz ZHZWLJGCMDICIJ-UHFFFAOYSA-N 2 2 247.327 1.691 10 0 BDAELP CC[NH2+]Cc1ccc(C[NH+]2CCOCC2)s1 ZINC000045206494 170126989 /nfs/dbraw/zinc/12/69/89/170126989.db2.gz NMBFCBPLXCCLDC-UHFFFAOYSA-N 2 2 240.372 1.690 10 0 BDAELP CC[NH2+]Cc1cccc(-n2cc[nH+]c2CC)n1 ZINC000051517856 170128092 /nfs/dbraw/zinc/12/80/92/170128092.db2.gz FBSNOJAESNLOMY-UHFFFAOYSA-N 2 2 230.315 1.939 10 0 BDAELP CC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000045205622 170128682 /nfs/dbraw/zinc/12/86/82/170128682.db2.gz SDBDCVBXNZBFTQ-UHFFFAOYSA-N 2 2 234.343 1.628 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000104194849 170151654 /nfs/dbraw/zinc/15/16/54/170151654.db2.gz JAMZZDIQSVGSMH-BFHYXJOUSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104194849 170151655 /nfs/dbraw/zinc/15/16/55/170151655.db2.gz JAMZZDIQSVGSMH-BFHYXJOUSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712445 170152022 /nfs/dbraw/zinc/15/20/22/170152022.db2.gz IBCYUZCVGWLDSN-GXTWGEPZSA-N 2 2 233.359 1.902 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C ZINC000049712445 170152024 /nfs/dbraw/zinc/15/20/24/170152024.db2.gz IBCYUZCVGWLDSN-GXTWGEPZSA-N 2 2 233.359 1.902 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1[N@@H+]1CCCOCC1 ZINC000061918053 170152355 /nfs/dbraw/zinc/15/23/55/170152355.db2.gz RPSMELOLIBSKBX-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1[N@H+]1CCCOCC1 ZINC000061918053 170152356 /nfs/dbraw/zinc/15/23/56/170152356.db2.gz RPSMELOLIBSKBX-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1C[N@H+](C)CCC[NH+](C)C ZINC000104198336 170167286 /nfs/dbraw/zinc/16/72/86/170167286.db2.gz OJICJLZBSRJQSM-KGLIPLIRSA-N 3 2 241.423 1.648 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000104198336 170167288 /nfs/dbraw/zinc/16/72/88/170167288.db2.gz OJICJLZBSRJQSM-KGLIPLIRSA-N 3 2 241.423 1.648 10 0 BDAELP CCOC1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1 ZINC000040690181 170332792 /nfs/dbraw/zinc/33/27/92/170332792.db2.gz OMTHIRHGJQDAKM-LBPRGKRZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[N@@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616592707 411856791 /nfs/dbraw/zinc/85/67/91/411856791.db2.gz GHHYEXODBURBIU-LLVKDONJSA-N 2 2 221.304 1.447 10 0 BDAELP CC[N@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616592707 411856798 /nfs/dbraw/zinc/85/67/98/411856798.db2.gz GHHYEXODBURBIU-LLVKDONJSA-N 2 2 221.304 1.447 10 0 BDAELP C[N@@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616612431 411892479 /nfs/dbraw/zinc/89/24/79/411892479.db2.gz UVWSSCGPPQKUJE-SNVBAGLBSA-N 2 2 205.305 1.863 10 0 BDAELP C[N@H+]1CCC[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616612431 411892484 /nfs/dbraw/zinc/89/24/84/411892484.db2.gz UVWSSCGPPQKUJE-SNVBAGLBSA-N 2 2 205.305 1.863 10 0 BDAELP CC(C)[N@@H+]1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616649422 411870026 /nfs/dbraw/zinc/87/00/26/411870026.db2.gz JDKBEDAWGTWJIN-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616649422 411870030 /nfs/dbraw/zinc/87/00/30/411870030.db2.gz JDKBEDAWGTWJIN-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP CC[C@@H]1CC[N@H+](C[C@@H]2CC[NH+](CC)C2)CC[NH2+]1 ZINC000049662188 171011539 /nfs/dbraw/zinc/01/15/39/171011539.db2.gz RKPRAEJTHXRURW-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](CC)C2)CC[NH2+]1 ZINC000049662188 171011541 /nfs/dbraw/zinc/01/15/41/171011541.db2.gz RKPRAEJTHXRURW-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@H+](CC)C2)CC[NH2+]1 ZINC000049662188 171011543 /nfs/dbraw/zinc/01/15/43/171011543.db2.gz RKPRAEJTHXRURW-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](CC)C2)CC[NH2+]1 ZINC000049662188 171011545 /nfs/dbraw/zinc/01/15/45/171011545.db2.gz RKPRAEJTHXRURW-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000036769450 171095692 /nfs/dbraw/zinc/09/56/92/171095692.db2.gz VRGGOELGYMYVOZ-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@@H]1C[N@H+]([C@@](C)(C[NH3+])C2CC2)CCO1 ZINC000036769450 171095696 /nfs/dbraw/zinc/09/56/96/171095696.db2.gz VRGGOELGYMYVOZ-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH2+]C)o1 ZINC000052481453 171105438 /nfs/dbraw/zinc/10/54/38/171105438.db2.gz VDFMYIMIXSIXFX-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[C@@H]1COCC[N@H+]1Cc1ccc(C[NH2+]C)o1 ZINC000052481453 171105440 /nfs/dbraw/zinc/10/54/40/171105440.db2.gz VDFMYIMIXSIXFX-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(C)(C)[NH2+]C ZINC000061319678 171111333 /nfs/dbraw/zinc/11/13/33/171111333.db2.gz ARFAGOPDVJHTNC-WDEREUQCSA-N 2 2 214.353 1.484 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(C)(C)[NH2+]C ZINC000061319678 171111334 /nfs/dbraw/zinc/11/13/34/171111334.db2.gz ARFAGOPDVJHTNC-WDEREUQCSA-N 2 2 214.353 1.484 10 0 BDAELP CC[C@H](C)[C@H](C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461443 171392216 /nfs/dbraw/zinc/39/22/16/171392216.db2.gz TUESHUHMSNFKOQ-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@H](C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461443 171392217 /nfs/dbraw/zinc/39/22/17/171392217.db2.gz TUESHUHMSNFKOQ-QWRGUYRKSA-N 2 2 214.353 1.471 10 0 BDAELP Cc1nc(NCC[C@@H]([NH3+])C(C)C)cc[nH+]1 ZINC000663276167 412405055 /nfs/dbraw/zinc/40/50/55/412405055.db2.gz MLVVRFFLMSBFCR-SNVBAGLBSA-N 2 2 208.309 1.570 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113267110 172221970 /nfs/dbraw/zinc/22/19/70/172221970.db2.gz MYKYBCDUAIIRGF-QWHCGFSZSA-N 2 2 248.374 1.572 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113267110 172221972 /nfs/dbraw/zinc/22/19/72/172221972.db2.gz MYKYBCDUAIIRGF-QWHCGFSZSA-N 2 2 248.374 1.572 10 0 BDAELP CN1CCC[N@H+](CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000054027329 173014777 /nfs/dbraw/zinc/01/47/77/173014777.db2.gz SAIRNYFOFVUHDD-GFCCVEGCSA-N 2 2 227.396 1.387 10 0 BDAELP CN1CCC[N@@H+](CC[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000054027329 173014778 /nfs/dbraw/zinc/01/47/78/173014778.db2.gz SAIRNYFOFVUHDD-GFCCVEGCSA-N 2 2 227.396 1.387 10 0 BDAELP C[N@@H+]1CCC[C@@H](Nc2[nH+]cccc2N)C1 ZINC000041043365 173023427 /nfs/dbraw/zinc/02/34/27/173023427.db2.gz QTALNRNDOLPWNK-SECBINFHSA-N 2 2 206.293 1.170 10 0 BDAELP C[N@H+]1CCC[C@@H](Nc2[nH+]cccc2N)C1 ZINC000041043365 173023428 /nfs/dbraw/zinc/02/34/28/173023428.db2.gz QTALNRNDOLPWNK-SECBINFHSA-N 2 2 206.293 1.170 10 0 BDAELP C[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000083072180 173113508 /nfs/dbraw/zinc/11/35/08/173113508.db2.gz IIMAWJNZLCFZBN-GXFFZTMASA-N 2 2 230.315 1.286 10 0 BDAELP C[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1cn2ccccc2n1 ZINC000083072180 173113510 /nfs/dbraw/zinc/11/35/10/173113510.db2.gz IIMAWJNZLCFZBN-GXFFZTMASA-N 2 2 230.315 1.286 10 0 BDAELP C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CC[NH+](C)C1 ZINC000120991219 173143015 /nfs/dbraw/zinc/14/30/15/173143015.db2.gz YXPURGVNFWPXKP-NSHDSACASA-N 2 2 238.331 1.155 10 0 BDAELP C[N@H+](Cc1ccc(CO)o1)C[C@H]1CC[NH+](C)C1 ZINC000120991219 173143018 /nfs/dbraw/zinc/14/30/18/173143018.db2.gz YXPURGVNFWPXKP-NSHDSACASA-N 2 2 238.331 1.155 10 0 BDAELP C[NH+](Cc1ccc(CO)o1)C[C@H]1CC[N@H+](C)C1 ZINC000120991219 173143020 /nfs/dbraw/zinc/14/30/20/173143020.db2.gz YXPURGVNFWPXKP-NSHDSACASA-N 2 2 238.331 1.155 10 0 BDAELP C[NH+](Cc1ccc(CO)o1)C[C@H]1CC[N@@H+](C)C1 ZINC000120991219 173143022 /nfs/dbraw/zinc/14/30/22/173143022.db2.gz YXPURGVNFWPXKP-NSHDSACASA-N 2 2 238.331 1.155 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1c[nH]c2ccccc12 ZINC000077361876 173352942 /nfs/dbraw/zinc/35/29/42/173352942.db2.gz OYGALOJLUWIPBP-UHFFFAOYSA-N 2 2 231.343 1.862 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1c[nH]c2ccccc12 ZINC000077361876 173352943 /nfs/dbraw/zinc/35/29/43/173352943.db2.gz OYGALOJLUWIPBP-UHFFFAOYSA-N 2 2 231.343 1.862 10 0 BDAELP C[NH2+]CC[NH2+]CCc1c[nH]c2ccccc12 ZINC000077325262 173356071 /nfs/dbraw/zinc/35/60/71/173356071.db2.gz LAYUZRRQNXHIFM-UHFFFAOYSA-N 2 2 217.316 1.519 10 0 BDAELP C[NH2+]CC[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000052481799 173358559 /nfs/dbraw/zinc/35/85/59/173358559.db2.gz BWAGYKSMCPTGPP-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]CC[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481799 173358557 /nfs/dbraw/zinc/35/85/57/173358557.db2.gz BWAGYKSMCPTGPP-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]CCc1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC000019752731 173361183 /nfs/dbraw/zinc/36/11/83/173361183.db2.gz AUSSXDYAPXOIMK-UHFFFAOYSA-N 2 2 233.271 1.096 10 0 BDAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCO1 ZINC000042407790 173367162 /nfs/dbraw/zinc/36/71/62/173367162.db2.gz KTKSQRFEJTYOQG-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCO1 ZINC000042407790 173367163 /nfs/dbraw/zinc/36/71/63/173367163.db2.gz KTKSQRFEJTYOQG-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423717 173373499 /nfs/dbraw/zinc/37/34/99/173373499.db2.gz MRORNEXWUQPZTH-CQSZACIVSA-N 2 2 235.375 1.800 10 0 BDAELP C[NH2+]C[C@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423717 173373500 /nfs/dbraw/zinc/37/35/00/173373500.db2.gz MRORNEXWUQPZTH-CQSZACIVSA-N 2 2 235.375 1.800 10 0 BDAELP C[NH2+]Cc1occc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000052476448 173399837 /nfs/dbraw/zinc/39/98/37/173399837.db2.gz RSPURWIFYNNBSW-GHMZBOCLSA-N 2 2 238.331 1.608 10 0 BDAELP C[NH2+]Cc1occc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000052476448 173399838 /nfs/dbraw/zinc/39/98/38/173399838.db2.gz RSPURWIFYNNBSW-GHMZBOCLSA-N 2 2 238.331 1.608 10 0 BDAELP COCC[N@H+](C)[C@H](C[NH3+])c1ccccc1 ZINC000041217883 174283208 /nfs/dbraw/zinc/28/32/08/174283208.db2.gz POGALNJFLLRSJB-GFCCVEGCSA-N 2 2 208.305 1.265 10 0 BDAELP COCC[N@@H+](C)[C@H](C[NH3+])c1ccccc1 ZINC000041217883 174283210 /nfs/dbraw/zinc/28/32/10/174283210.db2.gz POGALNJFLLRSJB-GFCCVEGCSA-N 2 2 208.305 1.265 10 0 BDAELP COCC[N@H+](C1CC1)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042518164 174285368 /nfs/dbraw/zinc/28/53/68/174285368.db2.gz DXVZPNCYMMKSNT-CABCVRRESA-N 2 2 246.354 1.722 10 0 BDAELP COCC[N@@H+](C1CC1)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042518164 174285369 /nfs/dbraw/zinc/28/53/69/174285369.db2.gz DXVZPNCYMMKSNT-CABCVRRESA-N 2 2 246.354 1.722 10 0 BDAELP COCC[N@H+]([C@@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000042517944 174285519 /nfs/dbraw/zinc/28/55/19/174285519.db2.gz LICPBINOVUBIJZ-OAHLLOKOSA-N 2 2 248.370 1.667 10 0 BDAELP COCC[N@@H+]([C@@H](C[NH3+])Cc1ccccc1)C1CC1 ZINC000042517944 174285521 /nfs/dbraw/zinc/28/55/21/174285521.db2.gz LICPBINOVUBIJZ-OAHLLOKOSA-N 2 2 248.370 1.667 10 0 BDAELP COCC[NH2+]CC[N@H+](C)Cc1ccc(C)cc1 ZINC000042427974 174332056 /nfs/dbraw/zinc/33/20/56/174332056.db2.gz PDEFXRZNWCJXNV-UHFFFAOYSA-N 2 2 236.359 1.663 10 0 BDAELP COCC[NH2+]CC[N@@H+](C)Cc1ccc(C)cc1 ZINC000042427974 174332057 /nfs/dbraw/zinc/33/20/57/174332057.db2.gz PDEFXRZNWCJXNV-UHFFFAOYSA-N 2 2 236.359 1.663 10 0 BDAELP COCCNc1cc([C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000072386641 174340855 /nfs/dbraw/zinc/34/08/55/174340855.db2.gz JXEWHHRISOSWMJ-GFCCVEGCSA-N 2 2 235.331 1.607 10 0 BDAELP COc1ccc(Cl)c([C@H]([NH3+])C[NH3+])c1 ZINC000072200577 175118427 /nfs/dbraw/zinc/11/84/27/175118427.db2.gz QRZMCTODTAUXFV-SECBINFHSA-N 2 2 200.669 1.307 10 0 BDAELP COc1ccc(Cl)cc1C[C@@H]([NH3+])C[NH+](C)C ZINC000071556782 175121124 /nfs/dbraw/zinc/12/11/24/175121124.db2.gz JLTRDLUDFHYNTM-LLVKDONJSA-N 2 2 242.750 1.780 10 0 BDAELP COc1ccc([C@@H]([NH3+])C[NH3+])cc1OC(F)F ZINC000035677048 175179887 /nfs/dbraw/zinc/17/98/87/175179887.db2.gz RSWKNDUBTXWMDG-ZETCQYMHSA-N 2 2 232.230 1.255 10 0 BDAELP COc1ccc([C@H]([NH3+])Cc2[nH]cc[nH+]2)cc1 ZINC000036946835 175192155 /nfs/dbraw/zinc/19/21/55/175192155.db2.gz IVCUCALOKMNXPK-LLVKDONJSA-N 2 2 217.272 1.661 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@@H+]1CCc1ccccc1 ZINC000062609147 176184301 /nfs/dbraw/zinc/18/43/01/176184301.db2.gz QNHPZKLZYKLDAG-CYBMUJFWSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@H+]1CCc1ccccc1 ZINC000062609147 176184303 /nfs/dbraw/zinc/18/43/03/176184303.db2.gz QNHPZKLZYKLDAG-CYBMUJFWSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cccc(C(N)=[NH2+])c2)CCO1 ZINC000019488306 176303974 /nfs/dbraw/zinc/30/39/74/176303974.db2.gz HLOPCNZIVZUCFJ-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cccc(C(N)=[NH2+])c2)CCO1 ZINC000019488306 176303976 /nfs/dbraw/zinc/30/39/76/176303976.db2.gz HLOPCNZIVZUCFJ-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@@H]1C[NH+]=C(N[C@H]2CCC[N@H+](C)C2)S1 ZINC000040715976 176324366 /nfs/dbraw/zinc/32/43/66/176324366.db2.gz LPJGVQRHWRFWQT-BDAKNGLRSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@@H]1C[NH+]=C(N[C@H]2CCC[N@@H+](C)C2)S1 ZINC000040715976 176324368 /nfs/dbraw/zinc/32/43/68/176324368.db2.gz LPJGVQRHWRFWQT-BDAKNGLRSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)CC(C)(C)O1 ZINC000054135302 176314846 /nfs/dbraw/zinc/31/48/46/176314846.db2.gz CERDYADJZQXZBS-VXGBXAGGSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)CC(C)(C)O1 ZINC000054135302 176314848 /nfs/dbraw/zinc/31/48/48/176314848.db2.gz CERDYADJZQXZBS-VXGBXAGGSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCCC[C@H]2C)CCO1 ZINC000034679216 176317716 /nfs/dbraw/zinc/31/77/16/176317716.db2.gz QDLLPNOWMYSAOP-UPJWGTAASA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCCC[C@H]2C)CCO1 ZINC000034679216 176317718 /nfs/dbraw/zinc/31/77/18/176317718.db2.gz QDLLPNOWMYSAOP-UPJWGTAASA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1CN(c2cc[nH+]c(C[NH3+])c2)CCCO1 ZINC000061912753 176319609 /nfs/dbraw/zinc/31/96/09/176319609.db2.gz DNYQCSFNVVAUHS-SNVBAGLBSA-N 2 2 221.304 1.156 10 0 BDAELP C[C@H]1CCCC[C@]1(C[NH3+])[NH+]1CCOCC1 ZINC000019517427 177090415 /nfs/dbraw/zinc/09/04/15/177090415.db2.gz LYKFITVJWCMUFF-NWDGAFQWSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@H]1CCC[C@](C[NH3+])(N2CCn3cc[nH+]c3C2)C1 ZINC000062249339 177143645 /nfs/dbraw/zinc/14/36/45/177143645.db2.gz RCGZZURRNKIRLK-JSGCOSHPSA-N 2 2 248.374 1.606 10 0 BDAELP C[C@@H](c1ccncc1)[N@@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662187 177169953 /nfs/dbraw/zinc/16/99/53/177169953.db2.gz SBILFWJWCHBGIB-RYUDHWBXSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@@H](c1ccncc1)[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000049662187 177169955 /nfs/dbraw/zinc/16/99/55/177169955.db2.gz SBILFWJWCHBGIB-RYUDHWBXSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@H]1C[N@@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022357 177274296 /nfs/dbraw/zinc/27/42/96/177274296.db2.gz CZJPPZJOUWYETJ-AAEUAGOBSA-N 2 2 247.342 1.774 10 0 BDAELP C[C@H]1C[N@H+]([C@@H](CC(N)=[NH2+])c2ccccc2)CCO1 ZINC000055022357 177274298 /nfs/dbraw/zinc/27/42/98/177274298.db2.gz CZJPPZJOUWYETJ-AAEUAGOBSA-N 2 2 247.342 1.774 10 0 BDAELP C[C@@H](c1ccncc1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662183 177282828 /nfs/dbraw/zinc/28/28/28/177282828.db2.gz VHWHNISLBINKPY-RYUDHWBXSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H](c1ccncc1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662183 177282829 /nfs/dbraw/zinc/28/28/29/177282829.db2.gz VHWHNISLBINKPY-RYUDHWBXSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@H]1COCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000035774126 177291891 /nfs/dbraw/zinc/29/18/91/177291891.db2.gz XIYAHZVUQPTYEH-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1COCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000035774126 177291892 /nfs/dbraw/zinc/29/18/92/177291892.db2.gz XIYAHZVUQPTYEH-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1COCC[N@@H+]1[C@@H](C[NH3+])C1CCCCC1 ZINC000035774498 177293259 /nfs/dbraw/zinc/29/32/59/177293259.db2.gz ZDTIXICUFNELQA-AAEUAGOBSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@H]1COCC[N@H+]1[C@@H](C[NH3+])C1CCCCC1 ZINC000035774498 177293260 /nfs/dbraw/zinc/29/32/60/177293260.db2.gz ZDTIXICUFNELQA-AAEUAGOBSA-N 2 2 226.364 1.615 10 0 BDAELP CC1CCC(CN2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000251670837 487787416 /nfs/dbraw/zinc/78/74/16/487787416.db2.gz GLBJXAUJMUREMC-JXQTWKCFSA-N 2 2 239.407 1.387 10 0 BDAELP CC1CCC(CN2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000251670837 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CC[N@H+]1CC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668240498 487531883 /nfs/dbraw/zinc/53/18/83/487531883.db2.gz KHHRPCHYHKTZGJ-YNEHKIRRSA-N 2 2 224.348 1.238 10 0 BDAELP CCOc1ccc[nH+]c1N(C)C1CC[NH2+]CC1 ZINC000034521890 488198494 /nfs/dbraw/zinc/19/84/94/488198494.db2.gz BKIBQYJOMQGEMT-UHFFFAOYSA-N 2 2 235.331 1.669 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000398549580 488221723 /nfs/dbraw/zinc/22/17/23/488221723.db2.gz YVJBFUPUBCQTBB-NEPJUHHUSA-N 2 2 214.353 1.221 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000398549580 488221726 /nfs/dbraw/zinc/22/17/26/488221726.db2.gz YVJBFUPUBCQTBB-NEPJUHHUSA-N 2 2 214.353 1.221 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228552237 490291394 /nfs/dbraw/zinc/29/13/94/490291394.db2.gz CLZVKODOCHQGRS-QJPTWQEYSA-N 2 2 247.342 1.654 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000242687707 521714803 /nfs/dbraw/zinc/71/48/03/521714803.db2.gz URLJAAPZDLRSOA-VXGBXAGGSA-N 2 2 212.337 1.191 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000242687707 521714805 /nfs/dbraw/zinc/71/48/05/521714805.db2.gz URLJAAPZDLRSOA-VXGBXAGGSA-N 2 2 212.337 1.191 10 0 BDAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCO[C@@H](C)C1 ZINC000051400185 536468887 /nfs/dbraw/zinc/46/88/87/536468887.db2.gz OTPXEQNPQYIFRA-LBPRGKRZSA-N 2 2 249.358 1.643 10 0 BDAELP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)[NH+](C)C ZINC000400350159 528533063 /nfs/dbraw/zinc/53/30/63/528533063.db2.gz JRFYCFGKHUAAIM-HZSPNIEDSA-N 3 2 241.423 1.550 10 0 BDAELP CCC[NH2+]C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000054935128 535157107 /nfs/dbraw/zinc/15/71/07/535157107.db2.gz GWUCLARQPRMBFP-UHFFFAOYSA-N 2 2 234.347 1.753 10 0 BDAELP FCCC[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757124055 582499600 /nfs/dbraw/zinc/49/96/00/582499600.db2.gz BLJIVFOQSFAPER-ZDUSSCGKSA-N 2 2 226.339 1.906 10 0 BDAELP FCCC[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757124055 582499601 /nfs/dbraw/zinc/49/96/01/582499601.db2.gz BLJIVFOQSFAPER-ZDUSSCGKSA-N 2 2 226.339 1.906 10 0 BDAELP CC(C)(C)[C@H]1C[NH2+][C@@]2(CCC[NH2+]C2)OC1 ZINC000757143748 582524132 /nfs/dbraw/zinc/52/41/32/582524132.db2.gz FFJZRDSTNKTANX-JQWIXIFHSA-N 2 2 212.337 1.348 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000757218536 582562825 /nfs/dbraw/zinc/56/28/25/582562825.db2.gz VQYPNSVNZLEOLW-QCZZGDTMSA-N 2 2 232.327 1.887 10 0 BDAELP [NH3+]C[C@@H]1CCN1c1[nH]c2ccccc2[nH+]1 ZINC000757153072 586429608 /nfs/dbraw/zinc/42/96/08/586429608.db2.gz SPXZZJWZJDCBRL-QMMMGPOBSA-N 2 2 202.261 1.100 10 0 BDAELP CC(=O)c1ccc([C@@H]2CC[C@H]([NH3+])C[NH2+]2)cc1 ZINC000757215046 586440158 /nfs/dbraw/zinc/44/01/58/586440158.db2.gz MGLLWJBADLJQJV-STQMWFEESA-N 2 2 218.300 1.641 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757216806 586441310 /nfs/dbraw/zinc/44/13/10/586441310.db2.gz QCDGGOYPNRXIBO-WQAKAFBOSA-N 2 2 218.300 1.639 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@H]1[NH3+] ZINC000757220249 586442174 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644587871 /nfs/dbraw/zinc/58/78/71/644587871.db2.gz QAWLYNRYLHQBFA-UHFFFAOYSA-N 2 2 248.334 1.041 10 0 BDAELP FC(F)(F)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)O1 ZINC000722387910 711753199 /nfs/dbraw/zinc/75/31/99/711753199.db2.gz ALWRZFJJRVBIBG-HLTSFMKQSA-N 2 2 238.253 1.048 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccc(Cl)nc2)C[C@@H]1C[NH3+] ZINC000708894600 712202541 /nfs/dbraw/zinc/20/25/41/712202541.db2.gz YJDUCVNCKDMTSX-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccc(Cl)nc2)C[C@@H]1C[NH3+] ZINC000708894600 712202542 /nfs/dbraw/zinc/20/25/42/712202542.db2.gz YJDUCVNCKDMTSX-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H]1CCNc1cccc[nH+]1 ZINC000721062459 712889726 /nfs/dbraw/zinc/88/97/26/712889726.db2.gz OMSMTXKQJBJLIY-GHMZBOCLSA-N 2 2 205.305 1.739 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616612022 349473109 /nfs/dbraw/zinc/47/31/09/349473109.db2.gz JMYNLMBJCOZIBY-ZDUSSCGKSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc3ccnnc3c2)C1 ZINC000616612022 349473112 /nfs/dbraw/zinc/47/31/12/349473112.db2.gz JMYNLMBJCOZIBY-ZDUSSCGKSA-N 2 2 242.326 1.378 10 0 BDAELP CCC(CC)(C[NH3+])[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000019427231 168323087 /nfs/dbraw/zinc/32/30/87/168323087.db2.gz FYWFOHBVTJAGJA-QWRGUYRKSA-N 2 2 214.353 1.613 10 0 BDAELP C[C@]1([C@H]2CCC[NH2+]C2)[NH2+]CCCS1 ZINC000575517201 398174794 /nfs/dbraw/zinc/17/47/94/398174794.db2.gz IKQVZBDQKBOORL-UWVGGRQHSA-N 2 2 200.351 1.429 10 0 BDAELP Cc1cc(Cl)cn2cc(CC[NH3+])[nH+]c12 ZINC000082693623 178070694 /nfs/dbraw/zinc/07/06/94/178070694.db2.gz LUCAUCZBPUHRGN-UHFFFAOYSA-N 2 2 209.680 1.797 10 0 BDAELP Cc1cc(NC(=O)C2([NH3+])CCCC2)cc[nH+]1 ZINC000237688482 178125302 /nfs/dbraw/zinc/12/53/02/178125302.db2.gz YWCYKPGQZMCZEI-UHFFFAOYSA-N 2 2 219.288 1.600 10 0 BDAELP [NH3+]Cc1cc(F)cc(C[NH+]2CCOCC2)c1 ZINC000162813192 538924846 /nfs/dbraw/zinc/92/48/46/538924846.db2.gz RHGZLDNLRNAOEU-UHFFFAOYSA-N 2 2 224.279 1.117 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386684746 398215992 /nfs/dbraw/zinc/21/59/92/398215992.db2.gz YBRRUDJNTWZLST-KBPBESRZSA-N 2 2 240.391 1.611 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386684746 398215995 /nfs/dbraw/zinc/21/59/95/398215995.db2.gz YBRRUDJNTWZLST-KBPBESRZSA-N 2 2 240.391 1.611 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1(CO)CCCCC1 ZINC000386513971 398211166 /nfs/dbraw/zinc/21/11/66/398211166.db2.gz CJCKNSAEYZAOBC-LBPRGKRZSA-N 2 2 226.364 1.365 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+]C1(CO)CCCCC1 ZINC000386513971 398211168 /nfs/dbraw/zinc/21/11/68/398211168.db2.gz CJCKNSAEYZAOBC-LBPRGKRZSA-N 2 2 226.364 1.365 10 0 BDAELP CCC[C@@]1([NH2+]C[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000386532997 398211831 /nfs/dbraw/zinc/21/18/31/398211831.db2.gz GPSXODWORLTVKP-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[C@@]1([NH2+]C[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000386532997 398211834 /nfs/dbraw/zinc/21/18/34/398211834.db2.gz GPSXODWORLTVKP-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP Cc1cc([C@@H]([NH3+])C[NH3+])ccc1Br ZINC000072201220 178236341 /nfs/dbraw/zinc/23/63/41/178236341.db2.gz LIAPTMOWUWQWNN-VIFPVBQESA-N 2 2 229.121 1.716 10 0 BDAELP Cc1ccc(-n2cc[nH+]c2N2CC[NH2+]CC2)cc1 ZINC000011920170 178347250 /nfs/dbraw/zinc/34/72/50/178347250.db2.gz WKCHMZRKOJXSJZ-UHFFFAOYSA-N 2 2 242.326 1.590 10 0 BDAELP CCC[C@H](C[NH2+][C@@H]1CCC[N@H+](CC)C1)OC ZINC000386006074 398263075 /nfs/dbraw/zinc/26/30/75/398263075.db2.gz LPQUKBBERZZFPP-CHWSQXEVSA-N 2 2 228.380 1.875 10 0 BDAELP CCC[C@H](C[NH2+][C@@H]1CCC[N@@H+](CC)C1)OC ZINC000386006074 398263078 /nfs/dbraw/zinc/26/30/78/398263078.db2.gz LPQUKBBERZZFPP-CHWSQXEVSA-N 2 2 228.380 1.875 10 0 BDAELP CC[C@]1([NH2+]C[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000386519732 398265196 /nfs/dbraw/zinc/26/51/96/398265196.db2.gz DMCXYYNGUBXGAY-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CC[C@]1([NH2+]C[C@H]2CCC[N@H+]2C)CCOC1 ZINC000386519732 398265201 /nfs/dbraw/zinc/26/52/01/398265201.db2.gz DMCXYYNGUBXGAY-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]([NH3+])[C@@H](c1cccs1)n1cc[nH+]c1 ZINC000043106988 342798114 /nfs/dbraw/zinc/79/81/14/342798114.db2.gz JKCXSVVELOGKFU-WPRPVWTQSA-N 2 2 207.302 1.881 10 0 BDAELP CC[C@](C)(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461537 362001384 /nfs/dbraw/zinc/00/13/84/362001384.db2.gz HBQXXSHXEXVFQG-LLVKDONJSA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@](C)(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461537 362001390 /nfs/dbraw/zinc/00/13/90/362001390.db2.gz HBQXXSHXEXVFQG-LLVKDONJSA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000300804963 259328173 /nfs/dbraw/zinc/32/81/73/259328173.db2.gz BGTAWNSRWREEDW-BDAKNGLRSA-N 2 2 224.308 1.291 10 0 BDAELP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1noc(C[NH3+])n1 ZINC000300804963 259328175 /nfs/dbraw/zinc/32/81/75/259328175.db2.gz BGTAWNSRWREEDW-BDAKNGLRSA-N 2 2 224.308 1.291 10 0 BDAELP C[N@H+](CCO)Cc1ccccc1-c1[nH]cc[nH+]1 ZINC000020706365 342994438 /nfs/dbraw/zinc/99/44/38/342994438.db2.gz WZQSZHTYJZVFFO-UHFFFAOYSA-N 2 2 231.299 1.501 10 0 BDAELP C[N@@H+](CCO)Cc1ccccc1-c1[nH]cc[nH+]1 ZINC000020706365 342994440 /nfs/dbraw/zinc/99/44/40/342994440.db2.gz WZQSZHTYJZVFFO-UHFFFAOYSA-N 2 2 231.299 1.501 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000384136890 343053239 /nfs/dbraw/zinc/05/32/39/343053239.db2.gz LSDAVBXJRZTJPQ-QWRGUYRKSA-N 2 2 233.315 1.278 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cccc(F)c1C(F)(F)F ZINC000072201043 343069712 /nfs/dbraw/zinc/06/97/12/343069712.db2.gz BCYAMRKRPMCLAP-SSDOTTSWSA-N 2 2 222.185 1.803 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000383429299 362023531 /nfs/dbraw/zinc/02/35/31/362023531.db2.gz BRJHQRKTBHYNBD-DCAQKATOSA-N 2 2 233.315 1.264 10 0 BDAELP C1CC[C@@H]2[C@@H](C1)[NH2+]CC[C@H]2[NH+]1CCOCC1 ZINC000107258358 343075641 /nfs/dbraw/zinc/07/56/41/343075641.db2.gz JFGNOTYXPQYBOV-JHJVBQTASA-N 2 2 224.348 1.239 10 0 BDAELP c1cc(C[NH2+][C@H]2CC[NH2+]C2)cc2c1COC2 ZINC000335643127 136303654 /nfs/dbraw/zinc/30/36/54/136303654.db2.gz OCQUDDYLTXKWPA-ZDUSSCGKSA-N 2 2 218.300 1.168 10 0 BDAELP Cc1nccc(C[NH2+][C@@H](C)CC[NH+](C)C)n1 ZINC000054790851 136373111 /nfs/dbraw/zinc/37/31/11/136373111.db2.gz MAQYXAWAYKWXCQ-JTQLQIEISA-N 2 2 222.336 1.215 10 0 BDAELP Cc1nccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000054790679 136373151 /nfs/dbraw/zinc/37/31/51/136373151.db2.gz IGRIPMIBWQGTCO-LBPRGKRZSA-N 2 2 246.358 1.359 10 0 BDAELP Cc1nccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000054790679 136373152 /nfs/dbraw/zinc/37/31/52/136373152.db2.gz IGRIPMIBWQGTCO-LBPRGKRZSA-N 2 2 246.358 1.359 10 0 BDAELP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)o1 ZINC000036300953 178545340 /nfs/dbraw/zinc/54/53/40/178545340.db2.gz WVOYPKGFYSAIEY-UHFFFAOYSA-N 2 2 208.305 1.772 10 0 BDAELP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)o1 ZINC000036300953 178545343 /nfs/dbraw/zinc/54/53/43/178545343.db2.gz WVOYPKGFYSAIEY-UHFFFAOYSA-N 2 2 208.305 1.772 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@@H+]2C(C)C ZINC000712039949 537784928 /nfs/dbraw/zinc/78/49/28/537784928.db2.gz IGJQSSNTHVGPGC-ZDUSSCGKSA-N 3 2 239.407 1.672 10 0 BDAELP CCC[NH+]1CCC2(CC1)[C@@H]([NH3+])CC[N@H+]2C(C)C ZINC000712039949 537784934 /nfs/dbraw/zinc/78/49/34/537784934.db2.gz IGJQSSNTHVGPGC-ZDUSSCGKSA-N 3 2 239.407 1.672 10 0 BDAELP C[NH2+][C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000409442622 343857725 /nfs/dbraw/zinc/85/77/25/343857725.db2.gz YGVOCONEHPTSEX-CHWSQXEVSA-N 2 2 204.317 1.917 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCSC(C)(C)C1 ZINC000135213930 343968455 /nfs/dbraw/zinc/96/84/55/343968455.db2.gz KNRNFZLUDJCYCG-SSDOTTSWSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@H+]1CCSC(C)(C)C1 ZINC000135213930 343968457 /nfs/dbraw/zinc/96/84/57/343968457.db2.gz KNRNFZLUDJCYCG-SSDOTTSWSA-N 2 2 201.339 1.138 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634767846 344279636 /nfs/dbraw/zinc/27/96/36/344279636.db2.gz MGFBHQQWLCPHOY-FZMZJTMJSA-N 2 2 245.326 1.140 10 0 BDAELP C[C@@H]([NH3+])[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000381507378 344515004 /nfs/dbraw/zinc/51/50/04/344515004.db2.gz LUIUTGUOUSKTQM-OLZOCXBDSA-N 2 2 233.359 1.544 10 0 BDAELP C[C@@H]1C[N@H+](C/C=C/Cl)[C@@H](C)CC[NH2+]1 ZINC000235376948 344897384 /nfs/dbraw/zinc/89/73/84/344897384.db2.gz LSWLLWDTATUJNE-AEJJFCSLSA-N 2 2 202.729 1.811 10 0 BDAELP C[C@@H]1C[N@@H+](C/C=C/Cl)[C@@H](C)CC[NH2+]1 ZINC000235376948 344897387 /nfs/dbraw/zinc/89/73/87/344897387.db2.gz LSWLLWDTATUJNE-AEJJFCSLSA-N 2 2 202.729 1.811 10 0 BDAELP CC1(C)C[N@H+](Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000011886483 345050655 /nfs/dbraw/zinc/05/06/55/345050655.db2.gz DSQYMFUJKJXVSW-CYBMUJFWSA-N 2 2 234.343 1.625 10 0 BDAELP CC1(C)C[N@@H+](Cc2ccccc2)C[C@@H](C[NH3+])O1 ZINC000011886483 345050660 /nfs/dbraw/zinc/05/06/60/345050660.db2.gz DSQYMFUJKJXVSW-CYBMUJFWSA-N 2 2 234.343 1.625 10 0 BDAELP COc1cc(C)[nH+]c(CN2C[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999011 345199007 /nfs/dbraw/zinc/19/90/07/345199007.db2.gz OOKBIERIPDMKPH-PWSUYJOCSA-N 2 2 249.358 1.425 10 0 BDAELP C[C@H]1CCn2cc([C@@H]3CCC[NH2+]C3)[nH+]c2C1 ZINC000258176163 345781086 /nfs/dbraw/zinc/78/10/86/345781086.db2.gz DZQRCSTZIUNKGO-WDEREUQCSA-N 2 2 219.332 1.932 10 0 BDAELP FC1(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000381479780 346032141 /nfs/dbraw/zinc/03/21/41/346032141.db2.gz CKBAWFXPVMIVOH-JTQLQIEISA-N 2 2 223.295 1.852 10 0 BDAELP CC[N@H+](CC(C)C)C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378614 537968327 /nfs/dbraw/zinc/96/83/27/537968327.db2.gz JFHFPWIHLQGPPO-QWHCGFSZSA-N 3 2 227.396 1.149 10 0 BDAELP CC[N@@H+](CC(C)C)C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378614 537968333 /nfs/dbraw/zinc/96/83/33/537968333.db2.gz JFHFPWIHLQGPPO-QWHCGFSZSA-N 3 2 227.396 1.149 10 0 BDAELP Cc1cccc(OCC[C@H](C[NH3+])[NH+](C)C)c1 ZINC000019663664 179169924 /nfs/dbraw/zinc/16/99/24/179169924.db2.gz MBENTOKYEPZJDU-GFCCVEGCSA-N 2 2 222.332 1.653 10 0 BDAELP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000149471255 347235289 /nfs/dbraw/zinc/23/52/89/347235289.db2.gz YIWVMHCEGJARCH-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000149471255 347235294 /nfs/dbraw/zinc/23/52/94/347235294.db2.gz YIWVMHCEGJARCH-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CC[C@H](O)C2)c1 ZINC000061709830 179203147 /nfs/dbraw/zinc/20/31/47/179203147.db2.gz RSVUZWMDTOOFDM-XBFCOCLRSA-N 2 2 234.343 1.450 10 0 BDAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CC[C@H](O)C2)c1 ZINC000061709830 179203149 /nfs/dbraw/zinc/20/31/49/179203149.db2.gz RSVUZWMDTOOFDM-XBFCOCLRSA-N 2 2 234.343 1.450 10 0 BDAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+]1CC[C@H](O)C1 ZINC000061709868 179347422 /nfs/dbraw/zinc/34/74/22/179347422.db2.gz WTGNBOWSBSAQSB-OBJOEFQTSA-N 2 2 234.343 1.450 10 0 BDAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+]1CC[C@H](O)C1 ZINC000061709868 179347425 /nfs/dbraw/zinc/34/74/25/179347425.db2.gz WTGNBOWSBSAQSB-OBJOEFQTSA-N 2 2 234.343 1.450 10 0 BDAELP C[C@H]1CC[N@H+](CCC(F)(F)F)C[C@H]1[NH3+] ZINC000251569638 362887216 /nfs/dbraw/zinc/88/72/16/362887216.db2.gz DGVHSYBDKAQLFC-JGVFFNPUSA-N 2 2 210.243 1.608 10 0 BDAELP C[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1[NH3+] ZINC000251569638 362887220 /nfs/dbraw/zinc/88/72/20/362887220.db2.gz DGVHSYBDKAQLFC-JGVFFNPUSA-N 2 2 210.243 1.608 10 0 BDAELP F[C@@H]1CCCC[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000616580800 349260339 /nfs/dbraw/zinc/26/03/39/349260339.db2.gz BJOJDPOBEOJIKV-GHMZBOCLSA-N 2 2 200.301 1.562 10 0 BDAELP F[C@@H]1CCCC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000616580800 349260342 /nfs/dbraw/zinc/26/03/42/349260342.db2.gz BJOJDPOBEOJIKV-GHMZBOCLSA-N 2 2 200.301 1.562 10 0 BDAELP Cc1[nH+]c(NCCCn2cc[nH+]c2)ccc1N ZINC000036245095 180018127 /nfs/dbraw/zinc/01/81/27/180018127.db2.gz KFGCBRDPBBWYPM-UHFFFAOYSA-N 2 2 231.303 1.671 10 0 BDAELP Cc1nccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000038037593 180191140 /nfs/dbraw/zinc/19/11/40/180191140.db2.gz USYMWIPUKKRWSB-DGCLKSJQSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000038037593 180191141 /nfs/dbraw/zinc/19/11/41/180191141.db2.gz USYMWIPUKKRWSB-DGCLKSJQSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104449606 180250688 /nfs/dbraw/zinc/25/06/88/180250688.db2.gz SFWIEOKRYNBEGJ-LLVKDONJSA-N 3 2 236.363 1.251 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074268 180252139 /nfs/dbraw/zinc/25/21/39/180252139.db2.gz AROQWMRQOPSLPX-ZDUSSCGKSA-N 3 2 236.363 1.252 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070074268 180252141 /nfs/dbraw/zinc/25/21/41/180252141.db2.gz AROQWMRQOPSLPX-ZDUSSCGKSA-N 3 2 236.363 1.252 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000042427524 180254249 /nfs/dbraw/zinc/25/42/49/180254249.db2.gz ZETSYEIRLCNIDW-WCQYABFASA-N 3 2 236.363 1.251 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000042427524 180254252 /nfs/dbraw/zinc/25/42/52/180254252.db2.gz ZETSYEIRLCNIDW-WCQYABFASA-N 3 2 236.363 1.251 10 0 BDAELP CC(C)(C)[C@H]1COCCC[N@@H+]1CC[NH3+] ZINC000616599445 350748921 /nfs/dbraw/zinc/74/89/21/350748921.db2.gz KOTGCGVCZAAUCN-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@H]1COCCC[N@H+]1CC[NH3+] ZINC000616599445 350748924 /nfs/dbraw/zinc/74/89/24/350748924.db2.gz KOTGCGVCZAAUCN-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CC(=O)Nc1cccc([C@@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616614194 350831193 /nfs/dbraw/zinc/83/11/93/350831193.db2.gz GXUJNALZPAVRIS-CYBMUJFWSA-N 2 2 247.342 1.393 10 0 BDAELP CC(=O)Nc1cccc([C@@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616614194 350831195 /nfs/dbraw/zinc/83/11/95/350831195.db2.gz GXUJNALZPAVRIS-CYBMUJFWSA-N 2 2 247.342 1.393 10 0 BDAELP C[C@@H]1SCC[C@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677737 350832838 /nfs/dbraw/zinc/83/28/38/350832838.db2.gz ZSHBBNBXCIYZQY-OUAUKWLOSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1SCC[C@H]1[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677737 350832840 /nfs/dbraw/zinc/83/28/40/350832840.db2.gz ZSHBBNBXCIYZQY-OUAUKWLOSA-N 2 2 214.378 1.564 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1cccc(CCO)c1 ZINC000616616782 350858391 /nfs/dbraw/zinc/85/83/91/350858391.db2.gz XTKBBDRQQHMSLD-HNNXBMFYSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1cccc(CCO)c1 ZINC000616616782 350858394 /nfs/dbraw/zinc/85/83/94/350858394.db2.gz XTKBBDRQQHMSLD-HNNXBMFYSA-N 2 2 248.370 1.707 10 0 BDAELP NC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616616860 350858473 /nfs/dbraw/zinc/85/84/73/350858473.db2.gz YUWJYWXQFQAEIB-ZDUSSCGKSA-N 2 2 247.342 1.271 10 0 BDAELP NC(=O)c1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616616860 350858476 /nfs/dbraw/zinc/85/84/76/350858476.db2.gz YUWJYWXQFQAEIB-ZDUSSCGKSA-N 2 2 247.342 1.271 10 0 BDAELP Nc1ccccc1[C@@H]1CC[N@H+](CC[NH3+])C1 ZINC000616614086 350827925 /nfs/dbraw/zinc/82/79/25/350827925.db2.gz BZVPMOVMOFCWQQ-SNVBAGLBSA-N 2 2 205.305 1.017 10 0 BDAELP Nc1ccccc1[C@@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616614086 350827926 /nfs/dbraw/zinc/82/79/26/350827926.db2.gz BZVPMOVMOFCWQQ-SNVBAGLBSA-N 2 2 205.305 1.017 10 0 BDAELP COc1ccccc1[C@@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616619761 350928602 /nfs/dbraw/zinc/92/86/02/350928602.db2.gz AWYKKTNGUVAMLL-GFCCVEGCSA-N 2 2 234.343 1.833 10 0 BDAELP COc1ccccc1[C@@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616619761 350928604 /nfs/dbraw/zinc/92/86/04/350928604.db2.gz AWYKKTNGUVAMLL-GFCCVEGCSA-N 2 2 234.343 1.833 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000306720531 350879385 /nfs/dbraw/zinc/87/93/85/350879385.db2.gz ZPRBTQBALYYXKH-ZIAGYGMSSA-N 2 2 234.343 1.231 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000306720531 350879388 /nfs/dbraw/zinc/87/93/88/350879388.db2.gz ZPRBTQBALYYXKH-ZIAGYGMSSA-N 2 2 234.343 1.231 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000306720528 350879509 /nfs/dbraw/zinc/87/95/09/350879509.db2.gz ZPRBTQBALYYXKH-KBPBESRZSA-N 2 2 234.343 1.231 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000306720528 350879511 /nfs/dbraw/zinc/87/95/11/350879511.db2.gz ZPRBTQBALYYXKH-KBPBESRZSA-N 2 2 234.343 1.231 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000616621608 351043400 /nfs/dbraw/zinc/04/34/00/351043400.db2.gz UJIZUNLJCHXASA-LBPRGKRZSA-N 2 2 205.305 1.220 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000616621608 351043401 /nfs/dbraw/zinc/04/34/01/351043401.db2.gz UJIZUNLJCHXASA-LBPRGKRZSA-N 2 2 205.305 1.220 10 0 BDAELP [NH3+]CCN1CCCCC[C@H]1c1[nH]cc[nH+]1 ZINC000616625623 351093551 /nfs/dbraw/zinc/09/35/51/351093551.db2.gz RDLZNFRCHZDCOD-JTQLQIEISA-N 2 2 208.309 1.286 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cncnc2)CC1 ZINC000616628124 351097639 /nfs/dbraw/zinc/09/76/39/351097639.db2.gz NBTCGJFUUZLWRH-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cncnc2)CC1 ZINC000616628124 351097641 /nfs/dbraw/zinc/09/76/41/351097641.db2.gz NBTCGJFUUZLWRH-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP c1cn([C@@H]2C[N@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616642693 351154543 /nfs/dbraw/zinc/15/45/43/351154543.db2.gz IGURYYKGXCGIMJ-AWEZNQCLSA-N 2 2 243.310 1.914 10 0 BDAELP c1cn([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616642693 351154546 /nfs/dbraw/zinc/15/45/46/351154546.db2.gz IGURYYKGXCGIMJ-AWEZNQCLSA-N 2 2 243.310 1.914 10 0 BDAELP [NH3+]C[C@@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616647076 351164205 /nfs/dbraw/zinc/16/42/05/351164205.db2.gz JQONJTGADDASTL-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]C[C@@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616647076 351164206 /nfs/dbraw/zinc/16/42/06/351164206.db2.gz JQONJTGADDASTL-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP CNc1cccc([C@@H]2COCC[N@H+](CC[NH3+])C2)c1 ZINC000616661396 351209683 /nfs/dbraw/zinc/20/96/83/351209683.db2.gz RKMLPDSDSOERCU-ZDUSSCGKSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1cccc([C@@H]2COCC[N@@H+](CC[NH3+])C2)c1 ZINC000616661396 351209685 /nfs/dbraw/zinc/20/96/85/351209685.db2.gz RKMLPDSDSOERCU-ZDUSSCGKSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1ccccc1[C@H]1COCC[N@H+](CC[NH3+])C1 ZINC000616663704 351215920 /nfs/dbraw/zinc/21/59/20/351215920.db2.gz OEWRZIQSNLXJPJ-GFCCVEGCSA-N 2 2 249.358 1.103 10 0 BDAELP CNc1ccccc1[C@H]1COCC[N@@H+](CC[NH3+])C1 ZINC000616663704 351215925 /nfs/dbraw/zinc/21/59/25/351215925.db2.gz OEWRZIQSNLXJPJ-GFCCVEGCSA-N 2 2 249.358 1.103 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664720 351220469 /nfs/dbraw/zinc/22/04/69/351220469.db2.gz UPSDNISMEHZCKC-ZDUSSCGKSA-N 2 2 220.316 1.454 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616664720 351220472 /nfs/dbraw/zinc/22/04/72/351220472.db2.gz UPSDNISMEHZCKC-ZDUSSCGKSA-N 2 2 220.316 1.454 10 0 BDAELP C[NH2+][C@H]1CC[N@@H+]([C@H]2CSC2(C)C)C1 ZINC000306976823 351396196 /nfs/dbraw/zinc/39/61/96/351396196.db2.gz FZHSMWFIPPRKEC-IUCAKERBSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@H]1CC[N@H+]([C@H]2CSC2(C)C)C1 ZINC000306976823 351396201 /nfs/dbraw/zinc/39/62/01/351396201.db2.gz FZHSMWFIPPRKEC-IUCAKERBSA-N 2 2 200.351 1.174 10 0 BDAELP ClC1=CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000404424122 351439760 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BDAELP CC[N@H+]1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000389349423 355980585 /nfs/dbraw/zinc/98/05/85/355980585.db2.gz VAHYTUILYGDKRQ-JTQLQIEISA-N 2 2 206.293 1.291 10 0 BDAELP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)cc1 ZINC000384380788 356632945 /nfs/dbraw/zinc/63/29/45/356632945.db2.gz ODLKSGCDCGRJIM-HNNXBMFYSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)cc1 ZINC000384380788 356632947 /nfs/dbraw/zinc/63/29/47/356632947.db2.gz ODLKSGCDCGRJIM-HNNXBMFYSA-N 2 2 248.370 1.541 10 0 BDAELP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384368499 356626468 /nfs/dbraw/zinc/62/64/68/356626468.db2.gz JKNRWHIXJQXKGQ-MCIONIFRSA-N 2 2 240.391 1.611 10 0 BDAELP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384368499 356626471 /nfs/dbraw/zinc/62/64/71/356626471.db2.gz JKNRWHIXJQXKGQ-MCIONIFRSA-N 2 2 240.391 1.611 10 0 BDAELP CC(C)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000675070100 538500327 /nfs/dbraw/zinc/50/03/27/538500327.db2.gz LNGACBFSEFZDHC-CQSZACIVSA-N 2 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ZINC000306626344 361292779 /nfs/dbraw/zinc/29/27/79/361292779.db2.gz HPWFSEJBHNMVFZ-HTQZYQBOSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@H+]1CCSCC[C@H]1C ZINC000306626344 361292784 /nfs/dbraw/zinc/29/27/84/361292784.db2.gz HPWFSEJBHNMVFZ-HTQZYQBOSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@]1(C[NH+]2CCSCC2)CCC[NH2+]1 ZINC000070619560 361643715 /nfs/dbraw/zinc/64/37/15/361643715.db2.gz YVFFXZPBUOLXCV-JTQLQIEISA-N 2 2 200.351 1.177 10 0 BDAELP CCCCOCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361154 364080315 /nfs/dbraw/zinc/08/03/15/364080315.db2.gz IMWMPAYJFUUESG-OLZOCXBDSA-N 2 2 244.379 1.241 10 0 BDAELP CCCCOCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361154 364080324 /nfs/dbraw/zinc/08/03/24/364080324.db2.gz IMWMPAYJFUUESG-OLZOCXBDSA-N 2 2 244.379 1.241 10 0 BDAELP Cc1nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)cc[nH+]1 ZINC000630534300 364227466 /nfs/dbraw/zinc/22/74/66/364227466.db2.gz VRUGGZHGXJAOEG-PSASIEDQSA-N 2 2 206.293 1.337 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247238234 364621070 /nfs/dbraw/zinc/62/10/70/364621070.db2.gz MYKYBCDUAIIRGF-CHWSQXEVSA-N 2 2 248.374 1.572 10 0 BDAELP CCn1cc[nH+]c1CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247238234 364621072 /nfs/dbraw/zinc/62/10/72/364621072.db2.gz MYKYBCDUAIIRGF-CHWSQXEVSA-N 2 2 248.374 1.572 10 0 BDAELP [NH3+]CC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000050523585 181397713 /nfs/dbraw/zinc/39/77/13/181397713.db2.gz GLAXMKZXHVVJHU-CQSZACIVSA-N 2 2 230.311 1.422 10 0 BDAELP Nc1c(NCC[NH3+])ccc2[nH+]cccc12 ZINC000052815352 181398534 /nfs/dbraw/zinc/39/85/34/181398534.db2.gz ULAQTKXFNJQOEH-UHFFFAOYSA-N 2 2 202.261 1.188 10 0 BDAELP CC(C)[NH2+]CCC[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000576093692 365480951 /nfs/dbraw/zinc/48/09/51/365480951.db2.gz OWBYTUSDTNALOF-UHFFFAOYSA-N 2 2 232.331 1.785 10 0 BDAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000382403017 367515988 /nfs/dbraw/zinc/51/59/88/367515988.db2.gz QWDXHNGZDJWCBY-FPQZTECRSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000382403017 367515994 /nfs/dbraw/zinc/51/59/94/367515994.db2.gz QWDXHNGZDJWCBY-FPQZTECRSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@@H]1C[NH2+][C@]2(CC[NH2+]C[C@H]2C)SC1 ZINC000253215629 368623991 /nfs/dbraw/zinc/62/39/91/368623991.db2.gz COQXISBCUBLWCC-OPRDCNLKSA-N 2 2 200.351 1.285 10 0 BDAELP [NH3+]CCN1C[C@@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616693752 369115655 /nfs/dbraw/zinc/11/56/55/369115655.db2.gz XUXLHUBDLQAUJW-LBPRGKRZSA-N 2 2 243.314 1.342 10 0 BDAELP [NH3+]CCN1C[C@@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616693752 369115658 /nfs/dbraw/zinc/11/56/58/369115658.db2.gz XUXLHUBDLQAUJW-LBPRGKRZSA-N 2 2 243.314 1.342 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000389853833 371178217 /nfs/dbraw/zinc/17/82/17/371178217.db2.gz ZJWHCXYBUMTQMD-IRCOFANPSA-N 2 2 228.405 1.810 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H]2SC)C1 ZINC000389853833 371178221 /nfs/dbraw/zinc/17/82/21/371178221.db2.gz ZJWHCXYBUMTQMD-IRCOFANPSA-N 2 2 228.405 1.810 10 0 BDAELP C[C@@H]1C[NH2+]C[C@]2(C1)[NH2+]C(C)(C)CS2 ZINC000401697738 371801151 /nfs/dbraw/zinc/80/11/51/371801151.db2.gz MAWRYOGPOBWTBI-WCBMZHEXSA-N 2 2 200.351 1.427 10 0 BDAELP CC[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172694158 373049679 /nfs/dbraw/zinc/04/96/79/373049679.db2.gz JAEGODIHOIBTAR-CHWSQXEVSA-N 2 2 240.391 1.970 10 0 BDAELP CC[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000172694158 373049686 /nfs/dbraw/zinc/04/96/86/373049686.db2.gz JAEGODIHOIBTAR-CHWSQXEVSA-N 2 2 240.391 1.970 10 0 BDAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000121203978 183231606 /nfs/dbraw/zinc/23/16/06/183231606.db2.gz JOGYKNDUOBABNJ-KBPBESRZSA-N 2 2 249.358 1.824 10 0 BDAELP O[C@]12CCCC[C@@H]1C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000160823969 183252649 /nfs/dbraw/zinc/25/26/49/183252649.db2.gz JTMVGIDWAWFNEJ-KGLIPLIRSA-N 2 2 249.358 1.510 10 0 BDAELP O[C@]12CCCC[C@@H]1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000160823969 183252650 /nfs/dbraw/zinc/25/26/50/183252650.db2.gz JTMVGIDWAWFNEJ-KGLIPLIRSA-N 2 2 249.358 1.510 10 0 BDAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042966969 169167114 /nfs/dbraw/zinc/16/71/14/169167114.db2.gz JDHMNELJFIZSPZ-AWEZNQCLSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1cccc(C)c1 ZINC000042966969 169167115 /nfs/dbraw/zinc/16/71/15/169167115.db2.gz JDHMNELJFIZSPZ-AWEZNQCLSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073654035 169209007 /nfs/dbraw/zinc/20/90/07/169209007.db2.gz LQVMPVBVAUSMQA-OLZOCXBDSA-N 2 2 226.364 1.439 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073654035 169209008 /nfs/dbraw/zinc/20/90/08/169209008.db2.gz LQVMPVBVAUSMQA-OLZOCXBDSA-N 2 2 226.364 1.439 10 0 BDAELP CCC[NH2+]C1CC[NH+](C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000037647605 169255703 /nfs/dbraw/zinc/25/57/03/169255703.db2.gz FEHQXKJVHFKRRU-CYBMUJFWSA-N 3 2 239.407 1.402 10 0 BDAELP CCC[NH2+]C1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000037647605 169255704 /nfs/dbraw/zinc/25/57/04/169255704.db2.gz FEHQXKJVHFKRRU-CYBMUJFWSA-N 3 2 239.407 1.402 10 0 BDAELP CCC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)CC[NH+](C)C)C1 ZINC000053032731 169264744 /nfs/dbraw/zinc/26/47/44/169264744.db2.gz WKGREPIALNFHOV-UONOGXRCSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)CC[NH+](C)C)C1 ZINC000053032731 169264746 /nfs/dbraw/zinc/26/47/46/169264746.db2.gz WKGREPIALNFHOV-UONOGXRCSA-N 3 2 241.423 1.648 10 0 BDAELP c1ccc(CC[NH2+][C@H]2C[NH+]3CCC2CC3)cc1 ZINC000019946272 183395493 /nfs/dbraw/zinc/39/54/93/183395493.db2.gz RYKDADOQKDFMEC-HNNXBMFYSA-N 2 2 230.355 1.913 10 0 BDAELP c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096895850 183399293 /nfs/dbraw/zinc/39/92/93/183399293.db2.gz PSWSKJYQNGHGOU-GJZGRUSLSA-N 2 2 246.354 1.639 10 0 BDAELP c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2C[NH2+]CCO2)cc1 ZINC000096895850 183399295 /nfs/dbraw/zinc/39/92/95/183399295.db2.gz PSWSKJYQNGHGOU-GJZGRUSLSA-N 2 2 246.354 1.639 10 0 BDAELP CCC[C@@H](C)[C@H](C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062248911 169373148 /nfs/dbraw/zinc/37/31/48/169373148.db2.gz BWWHEUKTVDHJLO-NEPJUHHUSA-N 2 2 236.363 1.462 10 0 BDAELP C[N@H+](C1CC[NH2+]CC1)[C@@H]1CCCCC1=O ZINC000050158717 383944771 /nfs/dbraw/zinc/94/47/71/383944771.db2.gz NGSHPLQJVFYZGJ-LLVKDONJSA-N 2 2 210.321 1.182 10 0 BDAELP C[N@@H+](C1CC[NH2+]CC1)[C@@H]1CCCCC1=O ZINC000050158717 383944776 /nfs/dbraw/zinc/94/47/76/383944776.db2.gz NGSHPLQJVFYZGJ-LLVKDONJSA-N 2 2 210.321 1.182 10 0 BDAELP C[C@@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCCS2 ZINC000156984323 384101875 /nfs/dbraw/zinc/10/18/75/384101875.db2.gz JDOPQBNBZPLYHI-ZJUUUORDSA-N 2 2 200.351 1.523 10 0 BDAELP C[C@@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCCS2 ZINC000156984323 384101879 /nfs/dbraw/zinc/10/18/79/384101879.db2.gz JDOPQBNBZPLYHI-ZJUUUORDSA-N 2 2 200.351 1.523 10 0 BDAELP CN(c1[nH]c2ccccc2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000070897179 384139632 /nfs/dbraw/zinc/13/96/32/384139632.db2.gz RREFERKQXKBOIY-VIFPVBQESA-N 2 2 216.288 1.361 10 0 BDAELP CN(c1[nH]c2ccccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000095070528 384336648 /nfs/dbraw/zinc/33/66/48/384336648.db2.gz QZGFRQOVVKZGOV-SNVBAGLBSA-N 2 2 230.315 1.751 10 0 BDAELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)n1 ZINC000095072305 384343253 /nfs/dbraw/zinc/34/32/53/384343253.db2.gz LOHCYXOLSPQMPU-NXEZZACHSA-N 2 2 240.738 1.490 10 0 BDAELP C[NH2+][C@@H](CCO)C1C[NH+](Cc2ccccc2)C1 ZINC000095075736 384350376 /nfs/dbraw/zinc/35/03/76/384350376.db2.gz PQVDJYURGZXFJL-AWEZNQCLSA-N 2 2 234.343 1.089 10 0 BDAELP Cc1ccc(NC(=O)[C@@H](C)C2C[NH2+]C2)c(C)[nH+]1 ZINC000164665093 384590208 /nfs/dbraw/zinc/59/02/08/384590208.db2.gz FPIJMLLBKYTNJK-VIFPVBQESA-N 2 2 233.315 1.492 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000306119802 384572250 /nfs/dbraw/zinc/57/22/50/384572250.db2.gz ZGQBFYWPCIRLSF-ZDUSSCGKSA-N 2 2 233.315 1.280 10 0 BDAELP c1cn(CC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c[nH+]1 ZINC000163012167 384720105 /nfs/dbraw/zinc/72/01/05/384720105.db2.gz XOHCOCOAHIFELN-ZDUSSCGKSA-N 2 2 245.330 1.833 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000044469918 384734135 /nfs/dbraw/zinc/73/41/35/384734135.db2.gz VZBYMKAPTGANCR-MRVPVSSYSA-N 2 2 205.088 1.952 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000072201273 384814881 /nfs/dbraw/zinc/81/48/81/384814881.db2.gz YBCPNUZRBRSRBI-MRVPVSSYSA-N 2 2 233.084 1.547 10 0 BDAELP C[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000192984667 385379584 /nfs/dbraw/zinc/37/95/84/385379584.db2.gz RSLKIZCDQVTOQZ-NWDGAFQWSA-N 2 2 235.331 1.196 10 0 BDAELP C[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000192984667 385379587 /nfs/dbraw/zinc/37/95/87/385379587.db2.gz RSLKIZCDQVTOQZ-NWDGAFQWSA-N 2 2 235.331 1.196 10 0 BDAELP CCSCC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000309054098 385386147 /nfs/dbraw/zinc/38/61/47/385386147.db2.gz SRFGFKFWZRBQFB-VIFPVBQESA-N 2 2 225.361 1.610 10 0 BDAELP CCSCC[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000309054098 385386150 /nfs/dbraw/zinc/38/61/50/385386150.db2.gz SRFGFKFWZRBQFB-VIFPVBQESA-N 2 2 225.361 1.610 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)[C@H]1C ZINC000575587924 386309713 /nfs/dbraw/zinc/30/97/13/386309713.db2.gz ABTTVYQBNAVCAD-QCLAVDOMSA-N 2 2 200.351 1.030 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)[C@H]1C ZINC000575587924 386309721 /nfs/dbraw/zinc/30/97/21/386309721.db2.gz ABTTVYQBNAVCAD-QCLAVDOMSA-N 2 2 200.351 1.030 10 0 BDAELP C[C@H]1[NH2+]CCC[C@@]12[NH2+]C(C)(C)CS2 ZINC000307506212 386699572 /nfs/dbraw/zinc/69/95/72/386699572.db2.gz QLYVNHWPYVNYGW-SCZZXKLOSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]1CC[NH2+][C@]2(CCC[NH2+]CC2)S1 ZINC000575577485 387036908 /nfs/dbraw/zinc/03/69/08/387036908.db2.gz ZAGHNZMZBMKXBL-VHSXEESVSA-N 2 2 200.351 1.571 10 0 BDAELP C[C@H]1CCS[C@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575577371 387036950 /nfs/dbraw/zinc/03/69/50/387036950.db2.gz XABWOSJVWHCABH-UWVGGRQHSA-N 2 2 200.351 1.571 10 0 BDAELP C[C@]12C[NH2+]C[C@@H]1C[N@H+](C/C=C/Cl)C2 ZINC000575559714 387702370 /nfs/dbraw/zinc/70/23/70/387702370.db2.gz WZYHCOVTIWEQTB-HLKOZVMDSA-N 2 2 200.713 1.280 10 0 BDAELP C[C@]12C[NH2+]C[C@@H]1C[N@@H+](C/C=C/Cl)C2 ZINC000575559714 387702376 /nfs/dbraw/zinc/70/23/76/387702376.db2.gz WZYHCOVTIWEQTB-HLKOZVMDSA-N 2 2 200.713 1.280 10 0 BDAELP C[C@H]1CC[N@H+](CCCO)C[C@H]1n1cc[nH+]c1 ZINC000246240712 388023122 /nfs/dbraw/zinc/02/31/22/388023122.db2.gz HRYUDQKDVHYZJM-NWDGAFQWSA-N 2 2 223.320 1.148 10 0 BDAELP C[C@H]1CC[N@@H+](CCCO)C[C@H]1n1cc[nH+]c1 ZINC000246240712 388023125 /nfs/dbraw/zinc/02/31/25/388023125.db2.gz HRYUDQKDVHYZJM-NWDGAFQWSA-N 2 2 223.320 1.148 10 0 BDAELP Cc1cncc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050116 388346944 /nfs/dbraw/zinc/34/69/44/388346944.db2.gz XIZKWSCYUIOJBY-CMPLNLGQSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cncc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000300050116 388346947 /nfs/dbraw/zinc/34/69/47/388346947.db2.gz XIZKWSCYUIOJBY-CMPLNLGQSA-N 2 2 205.305 1.169 10 0 BDAELP C[C@H](CCCC[NH3+])Nc1[nH+]cnc2c1cnn2C ZINC000336791598 388470688 /nfs/dbraw/zinc/47/06/88/388470688.db2.gz OCJBRUSNLFPREQ-SECBINFHSA-N 2 2 248.334 1.293 10 0 BDAELP C[C@H]1[C@H](O)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000296086035 388416548 /nfs/dbraw/zinc/41/65/48/388416548.db2.gz HFRPVTYXOKVUDI-NWDGAFQWSA-N 2 2 223.320 1.118 10 0 BDAELP C[C@H]1[C@H](O)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000296086035 388416550 /nfs/dbraw/zinc/41/65/50/388416550.db2.gz HFRPVTYXOKVUDI-NWDGAFQWSA-N 2 2 223.320 1.118 10 0 BDAELP C[C@@H]1CN(c2cc[nH+]c(C[NH3+])c2)C[C@@H](C)O1 ZINC000051396183 132360073 /nfs/dbraw/zinc/36/00/73/132360073.db2.gz GGYUQQAUPZJTPO-NXEZZACHSA-N 2 2 221.304 1.154 10 0 BDAELP Cc1cc(C)c(C[NH3+])c(N2CCSCC2)[nH+]1 ZINC000040509432 132348328 /nfs/dbraw/zinc/34/83/28/132348328.db2.gz COESDOMTJZBQMD-UHFFFAOYSA-N 2 2 237.372 1.710 10 0 BDAELP C[C@H]1CC[C@H](C[NH3+])CN1c1cccc[nH+]1 ZINC000053704257 132363114 /nfs/dbraw/zinc/36/31/14/132363114.db2.gz UATXMXIETOYYOF-WDEREUQCSA-N 2 2 205.305 1.645 10 0 BDAELP COC[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178332006 134308878 /nfs/dbraw/zinc/30/88/78/134308878.db2.gz NZGREHVVVIILRS-AAEUAGOBSA-N 2 2 237.347 1.691 10 0 BDAELP COC[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178332006 134308879 /nfs/dbraw/zinc/30/88/79/134308879.db2.gz NZGREHVVVIILRS-AAEUAGOBSA-N 2 2 237.347 1.691 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226857809 134369681 /nfs/dbraw/zinc/36/96/81/134369681.db2.gz UOGVURCHMXHKEW-NWDGAFQWSA-N 2 2 212.337 1.049 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226857809 134369682 /nfs/dbraw/zinc/36/96/82/134369682.db2.gz UOGVURCHMXHKEW-NWDGAFQWSA-N 2 2 212.337 1.049 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000250837628 135060004 /nfs/dbraw/zinc/06/00/04/135060004.db2.gz OMCJTLNIPRNCAZ-OCCSQVGLSA-N 2 2 246.358 1.501 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000250837628 135060007 /nfs/dbraw/zinc/06/00/07/135060007.db2.gz OMCJTLNIPRNCAZ-OCCSQVGLSA-N 2 2 246.358 1.501 10 0 BDAELP CC(C)CCOCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000086729586 135095287 /nfs/dbraw/zinc/09/52/87/135095287.db2.gz NRDVYYAXLDLHCP-LLVKDONJSA-N 2 2 200.326 1.001 10 0 BDAELP C[C@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1[NH3+] ZINC000261535225 135168607 /nfs/dbraw/zinc/16/86/07/135168607.db2.gz WXKQVEZFJJBEBQ-BZDIYLISSA-N 2 2 216.328 1.979 10 0 BDAELP C[C@H]1C[N@@H+](C/C=C/c2ccccc2)C[C@H]1[NH3+] ZINC000261535225 135168608 /nfs/dbraw/zinc/16/86/08/135168608.db2.gz WXKQVEZFJJBEBQ-BZDIYLISSA-N 2 2 216.328 1.979 10 0 BDAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH+]cn1C ZINC000177179102 397790104 /nfs/dbraw/zinc/79/01/04/397790104.db2.gz PAWGAFFTQPEJKW-LBPRGKRZSA-N 2 2 236.363 1.336 10 0 BDAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH+]cn1C ZINC000177179102 397790109 /nfs/dbraw/zinc/79/01/09/397790109.db2.gz PAWGAFFTQPEJKW-LBPRGKRZSA-N 2 2 236.363 1.336 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227811777 487559443 /nfs/dbraw/zinc/55/94/43/487559443.db2.gz ONVHVXHCFDWNBS-VHSXEESVSA-N 2 2 221.304 1.264 10 0 BDAELP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000051694631 167024383 /nfs/dbraw/zinc/02/43/83/167024383.db2.gz RNVBAFWZKKMXIM-BPCQOVAHSA-N 3 2 225.380 1.329 10 0 BDAELP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC([NH3+])CC2)C1 ZINC000051694631 167024389 /nfs/dbraw/zinc/02/43/89/167024389.db2.gz RNVBAFWZKKMXIM-BPCQOVAHSA-N 3 2 225.380 1.329 10 0 BDAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000310435235 411238243 /nfs/dbraw/zinc/23/82/43/411238243.db2.gz UISNPUOSNQYVNZ-NEPJUHHUSA-N 2 2 240.347 1.551 10 0 BDAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000310435235 411238245 /nfs/dbraw/zinc/23/82/45/411238245.db2.gz UISNPUOSNQYVNZ-NEPJUHHUSA-N 2 2 240.347 1.551 10 0 BDAELP CC1CCC(CN2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000122550036 411432567 /nfs/dbraw/zinc/43/25/67/411432567.db2.gz GLBJXAUJMUREMC-RUXDESIVSA-N 2 2 239.407 1.387 10 0 BDAELP CC1CCC(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000122550036 411432568 /nfs/dbraw/zinc/43/25/68/411432568.db2.gz GLBJXAUJMUREMC-RUXDESIVSA-N 2 2 239.407 1.387 10 0 BDAELP CC1CCC(C[N@@H+]2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000122550036 411432570 /nfs/dbraw/zinc/43/25/70/411432570.db2.gz GLBJXAUJMUREMC-RUXDESIVSA-N 2 2 239.407 1.387 10 0 BDAELP CC1CCC(C[N@H+]2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000122550036 411432571 /nfs/dbraw/zinc/43/25/71/411432571.db2.gz GLBJXAUJMUREMC-RUXDESIVSA-N 2 2 239.407 1.387 10 0 BDAELP CC[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@@H]1[NH3+] ZINC000122923595 411436980 /nfs/dbraw/zinc/43/69/80/411436980.db2.gz KIQCTMDKZCHJAD-QWRGUYRKSA-N 2 2 220.320 1.349 10 0 BDAELP c1[nH+]c2n(c1C[NH2+]Cc1ccccn1)CCC2 ZINC000657286346 411445434 /nfs/dbraw/zinc/44/54/34/411445434.db2.gz OUIYIEIAJJFRNS-UHFFFAOYSA-N 2 2 228.299 1.514 10 0 BDAELP Cc1[nH+]cc(C[NH2+]C[C@H](O)C(C)(C)C)n1C ZINC000657358750 411475731 /nfs/dbraw/zinc/47/57/31/411475731.db2.gz GSXMOSUBJMXZIG-NSHDSACASA-N 2 2 225.336 1.225 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CC)C2)CO1 ZINC000657324521 411465380 /nfs/dbraw/zinc/46/53/80/411465380.db2.gz CFYCEUBLATVPTF-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657324521 411465382 /nfs/dbraw/zinc/46/53/82/411465382.db2.gz CFYCEUBLATVPTF-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000328388636 170012620 /nfs/dbraw/zinc/01/26/20/170012620.db2.gz XFHSOMTVBPREON-LLVKDONJSA-N 2 2 214.353 1.343 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000328388636 170012621 /nfs/dbraw/zinc/01/26/21/170012621.db2.gz XFHSOMTVBPREON-LLVKDONJSA-N 2 2 214.353 1.343 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000049327983 170014908 /nfs/dbraw/zinc/01/49/08/170014908.db2.gz OUQUVEQPWYXYHK-CYBMUJFWSA-N 3 2 236.363 1.205 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000049327983 170014909 /nfs/dbraw/zinc/01/49/09/170014909.db2.gz OUQUVEQPWYXYHK-CYBMUJFWSA-N 3 2 236.363 1.205 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(SC)CC2)C1 ZINC000336760138 170029340 /nfs/dbraw/zinc/02/93/40/170029340.db2.gz LMWXYLYVYIWLNU-MNOVXSKESA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(SC)CC2)C1 ZINC000336760138 170029341 /nfs/dbraw/zinc/02/93/41/170029341.db2.gz LMWXYLYVYIWLNU-MNOVXSKESA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCSCC2)C1 ZINC000336773370 170031338 /nfs/dbraw/zinc/03/13/38/170031338.db2.gz YOVWBIYHLOKCJX-ZYHUDNBSSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCSCC2)C1 ZINC000336773370 170031340 /nfs/dbraw/zinc/03/13/40/170031340.db2.gz YOVWBIYHLOKCJX-ZYHUDNBSSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000339526791 170039011 /nfs/dbraw/zinc/03/90/11/170039011.db2.gz FDKYGFORJRDZEL-UHTWSYAYSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000339526791 170039013 /nfs/dbraw/zinc/03/90/13/170039013.db2.gz FDKYGFORJRDZEL-UHTWSYAYSA-N 2 2 226.364 1.341 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000060720690 170150766 /nfs/dbraw/zinc/15/07/66/170150766.db2.gz OYPXHFVSDOOYBK-CHWSQXEVSA-N 2 2 226.364 1.487 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000061321501 170151762 /nfs/dbraw/zinc/15/17/62/170151762.db2.gz DDOASAGWAPVUPQ-SMDDNHRTSA-N 2 2 248.374 1.605 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000061321501 170151763 /nfs/dbraw/zinc/15/17/63/170151763.db2.gz DDOASAGWAPVUPQ-SMDDNHRTSA-N 2 2 248.374 1.605 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1C[NH+]1CCOCC1 ZINC000053861140 170151942 /nfs/dbraw/zinc/15/19/42/170151942.db2.gz URSUVANIEPIYLJ-NWDGAFQWSA-N 2 2 212.337 1.097 10 0 BDAELP CCOCCCC[NH2+]CC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000053432579 170369661 /nfs/dbraw/zinc/36/96/61/170369661.db2.gz KFEYMVPJPQJQPC-UONOGXRCSA-N 2 2 240.391 1.877 10 0 BDAELP CCOCCCC[NH2+]CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000053432579 170369663 /nfs/dbraw/zinc/36/96/63/170369663.db2.gz KFEYMVPJPQJQPC-UONOGXRCSA-N 2 2 240.391 1.877 10 0 BDAELP [NH3+]C[C@@H]1CN(c2[nH+]ccc3ccccc32)CCO1 ZINC000132070775 411755384 /nfs/dbraw/zinc/75/53/84/411755384.db2.gz XNXMAWNZZVHZQA-GFCCVEGCSA-N 2 2 243.310 1.399 10 0 BDAELP Nc1ccc([C@H]2CCC[N@H+](CCO)CC2)c[nH+]1 ZINC000616628733 411960756 /nfs/dbraw/zinc/96/07/56/411960756.db2.gz QDUPOKVFCYAIRS-NSHDSACASA-N 2 2 235.331 1.226 10 0 BDAELP Nc1ccc([C@H]2CCC[N@@H+](CCO)CC2)c[nH+]1 ZINC000616628733 411960758 /nfs/dbraw/zinc/96/07/58/411960758.db2.gz QDUPOKVFCYAIRS-NSHDSACASA-N 2 2 235.331 1.226 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052481489 171105112 /nfs/dbraw/zinc/10/51/12/171105112.db2.gz KXPSUFXRHSNULA-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1COCC[N@H+]1Cc1ccoc1C[NH3+] ZINC000052481489 171105117 /nfs/dbraw/zinc/10/51/17/171105117.db2.gz KXPSUFXRHSNULA-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@](C)(C[NH2+]C)C[N@H+](C)Cc1cnn(C)c1 ZINC000051257380 171167306 /nfs/dbraw/zinc/16/73/06/171167306.db2.gz ARGXEEIGXWKQSF-ZDUSSCGKSA-N 2 2 238.379 1.488 10 0 BDAELP CC[C@@](C)(C[NH2+]C)C[N@@H+](C)Cc1cnn(C)c1 ZINC000051257380 171167307 /nfs/dbraw/zinc/16/73/07/171167307.db2.gz ARGXEEIGXWKQSF-ZDUSSCGKSA-N 2 2 238.379 1.488 10 0 BDAELP CCc1nc(NCCC[NH3+])c2c([nH+]1)CCC2 ZINC000057328796 172009015 /nfs/dbraw/zinc/00/90/15/172009015.db2.gz ZEBUVLOIFYKQSR-UHFFFAOYSA-N 2 2 220.320 1.288 10 0 BDAELP CCn1c2ccc(C)cc2[nH+]c1CC[NH3+] ZINC000037437997 172143492 /nfs/dbraw/zinc/14/34/92/172143492.db2.gz VUVYCLRBJUABGG-UHFFFAOYSA-N 2 2 203.289 1.866 10 0 BDAELP CCn1cc[nH+]c1CSCC[NH+](C)C ZINC000120243785 172225549 /nfs/dbraw/zinc/22/55/49/172225549.db2.gz IGXJXSMBCIPNGH-UHFFFAOYSA-N 2 2 213.350 1.698 10 0 BDAELP C[NH+](C)CCC[NH2+]CCC[NH+]1CCCC1 ZINC000041227190 172440293 /nfs/dbraw/zinc/44/02/93/172440293.db2.gz UDLBPUVVARSTAQ-UHFFFAOYSA-N 3 2 213.369 1.014 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC000044562235 173009339 /nfs/dbraw/zinc/00/93/39/173009339.db2.gz SBDGMNFUBQSUAZ-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCCO1 ZINC000044562235 173009340 /nfs/dbraw/zinc/00/93/40/173009340.db2.gz SBDGMNFUBQSUAZ-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP C[N@H+]1CCCC[C@H]1CNc1ccc(N)[nH+]c1 ZINC000044563548 173009657 /nfs/dbraw/zinc/00/96/57/173009657.db2.gz YFEGZLGCPLKVQY-NSHDSACASA-N 2 2 220.320 1.560 10 0 BDAELP C[N@@H+]1CCCC[C@H]1CNc1ccc(N)[nH+]c1 ZINC000044563548 173009656 /nfs/dbraw/zinc/00/96/56/173009656.db2.gz YFEGZLGCPLKVQY-NSHDSACASA-N 2 2 220.320 1.560 10 0 BDAELP C[N@H+]1CCC[C@H](Nc2[nH+]cccc2N)C1 ZINC000041043364 173045877 /nfs/dbraw/zinc/04/58/77/173045877.db2.gz QTALNRNDOLPWNK-VIFPVBQESA-N 2 2 206.293 1.170 10 0 BDAELP C[N@@H+]1CCC[C@H](Nc2[nH+]cccc2N)C1 ZINC000041043364 173045875 /nfs/dbraw/zinc/04/58/75/173045875.db2.gz QTALNRNDOLPWNK-VIFPVBQESA-N 2 2 206.293 1.170 10 0 BDAELP C[N@H+]1CC[C@@H](n2c(N)[nH+]c3c2cccc3F)C1 ZINC000042548534 173127087 /nfs/dbraw/zinc/12/70/87/173127087.db2.gz DHZRHSAPQIOMCP-MRVPVSSYSA-N 2 2 234.278 1.634 10 0 BDAELP C[N@@H+]1CC[C@H](n2c(N)[nH+]c3c2cccc3F)C1 ZINC000042548531 173157595 /nfs/dbraw/zinc/15/75/95/173157595.db2.gz DHZRHSAPQIOMCP-QMMMGPOBSA-N 2 2 234.278 1.634 10 0 BDAELP C[N@H+]1CC[C@H](n2c(N)[nH+]c3c2cccc3F)C1 ZINC000042548531 173157597 /nfs/dbraw/zinc/15/75/97/173157597.db2.gz DHZRHSAPQIOMCP-QMMMGPOBSA-N 2 2 234.278 1.634 10 0 BDAELP C[NH2+]C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000051576586 173323475 /nfs/dbraw/zinc/32/34/75/173323475.db2.gz PBRTYHROCIXDDT-UHFFFAOYSA-N 2 2 219.332 1.574 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc(C)cc1C ZINC000077331445 173352472 /nfs/dbraw/zinc/35/24/72/173352472.db2.gz UQZOCQGRKPKNAK-UHFFFAOYSA-N 2 2 220.360 1.997 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc(C)cc1C ZINC000077331445 173352473 /nfs/dbraw/zinc/35/24/73/173352473.db2.gz UQZOCQGRKPKNAK-UHFFFAOYSA-N 2 2 220.360 1.997 10 0 BDAELP C[NH2+]CCSc1cccc2[nH+]ccn21 ZINC000089201286 173357412 /nfs/dbraw/zinc/35/74/12/173357412.db2.gz KBCDYFJJQWQQKN-UHFFFAOYSA-N 2 2 207.302 1.646 10 0 BDAELP C[NH2+]Cc1cc(Cn2c[nH+]c(C)c2C)on1 ZINC000052593522 173387406 /nfs/dbraw/zinc/38/74/06/173387406.db2.gz TZAHZKPKLINAPW-UHFFFAOYSA-N 2 2 220.276 1.256 10 0 BDAELP COC1CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335596452 174019989 /nfs/dbraw/zinc/01/99/89/174019989.db2.gz AVRLNCFIJQBGNQ-IDKOKCKLSA-N 2 2 221.304 1.034 10 0 BDAELP COC1CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335596452 174019990 /nfs/dbraw/zinc/01/99/90/174019990.db2.gz AVRLNCFIJQBGNQ-IDKOKCKLSA-N 2 2 221.304 1.034 10 0 BDAELP COCC[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860265 174318189 /nfs/dbraw/zinc/31/81/89/174318189.db2.gz SSGBFKLXTDSABO-CYBMUJFWSA-N 2 2 220.316 1.018 10 0 BDAELP COCC[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860265 174318191 /nfs/dbraw/zinc/31/81/91/174318191.db2.gz SSGBFKLXTDSABO-CYBMUJFWSA-N 2 2 220.316 1.018 10 0 BDAELP COc1ccc(Cl)cc1C[C@H]([NH3+])C[NH+](C)C ZINC000071556784 175121329 /nfs/dbraw/zinc/12/13/29/175121329.db2.gz JLTRDLUDFHYNTM-NSHDSACASA-N 2 2 242.750 1.780 10 0 BDAELP COc1ccc(OC)c([C@H]([NH3+])Cn2cc[nH+]c2)c1 ZINC000023066257 175169152 /nfs/dbraw/zinc/16/91/52/175169152.db2.gz HANMZKVTNOJNAX-GFCCVEGCSA-N 2 2 247.298 1.600 10 0 BDAELP COc1ccc2c(cc[nH+]c2NCC[NH3+])c1 ZINC000082766063 175205341 /nfs/dbraw/zinc/20/53/41/175205341.db2.gz DVLWPPGACFCACS-UHFFFAOYSA-N 2 2 217.272 1.614 10 0 BDAELP COc1cccc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000057954327 175251861 /nfs/dbraw/zinc/25/18/61/175251861.db2.gz VFOPKMZNTXWVNP-CYBMUJFWSA-N 2 2 234.343 1.661 10 0 BDAELP COc1cccc(CC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000057954327 175251863 /nfs/dbraw/zinc/25/18/63/175251863.db2.gz VFOPKMZNTXWVNP-CYBMUJFWSA-N 2 2 234.343 1.661 10 0 BDAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](C)CCO)c1 ZINC000043027249 175289770 /nfs/dbraw/zinc/28/97/70/175289770.db2.gz KSQDGZNVHWYBAO-ZWNOBZJWSA-N 2 2 238.331 1.008 10 0 BDAELP COc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](C)CCO)c1 ZINC000043027249 175289772 /nfs/dbraw/zinc/28/97/72/175289772.db2.gz KSQDGZNVHWYBAO-ZWNOBZJWSA-N 2 2 238.331 1.008 10 0 BDAELP COc1cccc([C@@H]2[C@H]([NH3+])CC[N@@H+]2C2CC2)c1 ZINC000070299715 175292012 /nfs/dbraw/zinc/29/20/12/175292012.db2.gz LNCNFGRZOJOWPW-ZIAGYGMSSA-N 2 2 232.327 1.932 10 0 BDAELP COc1cccc([C@@H]2[C@H]([NH3+])CC[N@H+]2C2CC2)c1 ZINC000070299715 175292014 /nfs/dbraw/zinc/29/20/14/175292014.db2.gz LNCNFGRZOJOWPW-ZIAGYGMSSA-N 2 2 232.327 1.932 10 0 BDAELP COc1cccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)c1 ZINC000043025958 175296343 /nfs/dbraw/zinc/29/63/43/175296343.db2.gz GPWGPSVFBWKMIQ-SKDRFNHKSA-N 2 2 208.305 1.645 10 0 BDAELP COc1cccc2[nH+]cn([C@@H]3CCC[NH2+]C3)c21 ZINC000215835289 175308549 /nfs/dbraw/zinc/30/85/49/175308549.db2.gz KCCKOXGRCYIIBY-SNVBAGLBSA-N 2 2 231.299 1.969 10 0 BDAELP COc1ccccc1C[N@@H+]1CC[NH2+]CC[C@H]1C ZINC000071544621 175328217 /nfs/dbraw/zinc/32/82/17/175328217.db2.gz KUJZIMONTPVVFC-GFCCVEGCSA-N 2 2 234.343 1.879 10 0 BDAELP 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/nfs/dbraw/zinc/33/20/02/712332002.db2.gz HUMYXPMPVCTKGI-WCFLWFBJSA-N 2 2 246.358 1.387 10 0 BDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nccn3C3CC3)C[C@H]12 ZINC000711804094 712332003 /nfs/dbraw/zinc/33/20/03/712332003.db2.gz HUMYXPMPVCTKGI-WCFLWFBJSA-N 2 2 246.358 1.387 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)CO2)C[C@@H]1[NH3+] ZINC000716295892 712553601 /nfs/dbraw/zinc/55/36/01/712553601.db2.gz SLRNDOHPFULNNP-UPJWGTAASA-N 2 2 238.375 1.615 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)CO2)C[C@@H]1[NH3+] ZINC000716295892 712553602 /nfs/dbraw/zinc/55/36/02/712553602.db2.gz SLRNDOHPFULNNP-UPJWGTAASA-N 2 2 238.375 1.615 10 0 BDAELP C[C@@H]1C[N@H+](CCCC(C)(F)F)C[C@@H]1[NH3+] ZINC000718721123 712778746 /nfs/dbraw/zinc/77/87/46/712778746.db2.gz DWNKIRZZNRWFIH-BDAKNGLRSA-N 2 2 206.280 1.701 10 0 BDAELP C[C@@H]1C[N@@H+](CCCC(C)(F)F)C[C@@H]1[NH3+] ZINC000718721123 712778747 /nfs/dbraw/zinc/77/87/47/712778747.db2.gz DWNKIRZZNRWFIH-BDAKNGLRSA-N 2 2 206.280 1.701 10 0 BDAELP Cc1nc(NCC[C@@H]2C[NH2+]C[C@H]2C)cc[nH+]1 ZINC000721072841 712889877 /nfs/dbraw/zinc/88/98/77/712889877.db2.gz JLVVJVMATLRECT-MWLCHTKSSA-N 2 2 220.320 1.443 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000685953823 538898835 /nfs/dbraw/zinc/89/88/35/538898835.db2.gz IVBUWOUOKKRUHF-GFCCVEGCSA-N 3 2 223.364 1.036 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000685953823 538898837 /nfs/dbraw/zinc/89/88/37/538898837.db2.gz IVBUWOUOKKRUHF-GFCCVEGCSA-N 3 2 223.364 1.036 10 0 BDAELP Cc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)cc[nH+]1 ZINC000257653122 349470426 /nfs/dbraw/zinc/47/04/26/349470426.db2.gz ALNMFJYEWNEKAQ-ZDUSSCGKSA-N 2 2 232.331 1.365 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019427229 168323365 /nfs/dbraw/zinc/32/33/65/168323365.db2.gz FYWFOHBVTJAGJA-PHIMTYICSA-N 2 2 214.353 1.613 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019427229 168323366 /nfs/dbraw/zinc/32/33/66/168323366.db2.gz FYWFOHBVTJAGJA-PHIMTYICSA-N 2 2 214.353 1.613 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc3cnccc32)C1 ZINC000616611844 349473577 /nfs/dbraw/zinc/47/35/77/349473577.db2.gz GYPNESUKSJOSLO-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc3cnccc32)C1 ZINC000616611844 349473579 /nfs/dbraw/zinc/47/35/79/349473579.db2.gz GYPNESUKSJOSLO-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cc3ccccc3nn2)C1 ZINC000616611972 349475583 /nfs/dbraw/zinc/47/55/83/349475583.db2.gz HYXAPEAQCSUUNO-LBPRGKRZSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cc3ccccc3nn2)C1 ZINC000616611972 349475588 /nfs/dbraw/zinc/47/55/88/349475588.db2.gz HYXAPEAQCSUUNO-LBPRGKRZSA-N 2 2 242.326 1.378 10 0 BDAELP Cc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)oc1C[NH3+] ZINC000052476549 178008068 /nfs/dbraw/zinc/00/80/68/178008068.db2.gz MNBYIGOYIVNTFH-QWRGUYRKSA-N 2 2 238.331 1.656 10 0 BDAELP Cc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)oc1C[NH3+] ZINC000052476549 178008071 /nfs/dbraw/zinc/00/80/71/178008071.db2.gz MNBYIGOYIVNTFH-QWRGUYRKSA-N 2 2 238.331 1.656 10 0 BDAELP Cc1nc(C[NH+]2CCC2)sc1[C@H](C)[NH3+] ZINC000307488662 398171262 /nfs/dbraw/zinc/17/12/62/398171262.db2.gz WTKGIJQPRVVULV-ZETCQYMHSA-N 2 2 211.334 1.677 10 0 BDAELP C[C@@]1([C@@H]2CCC[NH2+]C2)[NH2+]CCCS1 ZINC000575517199 398175027 /nfs/dbraw/zinc/17/50/27/398175027.db2.gz IKQVZBDQKBOORL-NXEZZACHSA-N 2 2 200.351 1.429 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc3cccnc32)C1 ZINC000616612825 349592972 /nfs/dbraw/zinc/59/29/72/349592972.db2.gz SOJKUMPBEIZOPV-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc3cccnc32)C1 ZINC000616612825 349592975 /nfs/dbraw/zinc/59/29/75/349592975.db2.gz SOJKUMPBEIZOPV-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP Cn1cccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188413139 538978658 /nfs/dbraw/zinc/97/86/58/538978658.db2.gz XKTIIUQMCAKZQN-CQSZACIVSA-N 2 2 244.342 1.886 10 0 BDAELP Cn1cccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188413139 538978660 /nfs/dbraw/zinc/97/86/60/538978660.db2.gz XKTIIUQMCAKZQN-CQSZACIVSA-N 2 2 244.342 1.886 10 0 BDAELP COc1ccc[nH+]c1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382447792 361936652 /nfs/dbraw/zinc/93/66/52/361936652.db2.gz BTCHRSPILQXBHN-NXEZZACHSA-N 2 2 221.304 1.630 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000305984393 259337294 /nfs/dbraw/zinc/33/72/94/259337294.db2.gz GAKAMPWGHNRZSY-CHWSQXEVSA-N 2 2 244.423 1.959 10 0 BDAELP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1C[Si](C)(C)C ZINC000401789848 343241522 /nfs/dbraw/zinc/24/15/22/343241522.db2.gz HSTDCYKXQIAYHB-NXEZZACHSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1C[Si](C)(C)C ZINC000401789848 343241524 /nfs/dbraw/zinc/24/15/24/343241524.db2.gz HSTDCYKXQIAYHB-NXEZZACHSA-N 2 2 200.402 1.675 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232181 167397560 /nfs/dbraw/zinc/39/75/60/167397560.db2.gz RASWVRMZYMAGPC-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232181 167397562 /nfs/dbraw/zinc/39/75/62/167397562.db2.gz RASWVRMZYMAGPC-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)=C[C@H]([NH3+])[C@H]1CSCC[N@H+]1C ZINC000234313878 343940449 /nfs/dbraw/zinc/94/04/49/343940449.db2.gz LPBWCXJZKIVLCD-VHSXEESVSA-N 2 2 200.351 1.327 10 0 BDAELP CC(C)=C[C@H]([NH3+])[C@H]1CSCC[N@@H+]1C ZINC000234313878 343940451 /nfs/dbraw/zinc/94/04/51/343940451.db2.gz LPBWCXJZKIVLCD-VHSXEESVSA-N 2 2 200.351 1.327 10 0 BDAELP C[N@@H+]1CCSC[C@H]1[C@@H]([NH3+])C1CCC1 ZINC000234349585 343943482 /nfs/dbraw/zinc/94/34/82/343943482.db2.gz UXYVDAJLMOUQBI-UWVGGRQHSA-N 2 2 200.351 1.161 10 0 BDAELP C[N@H+]1CCSC[C@H]1[C@@H]([NH3+])C1CCC1 ZINC000234349585 343943484 /nfs/dbraw/zinc/94/34/84/343943484.db2.gz UXYVDAJLMOUQBI-UWVGGRQHSA-N 2 2 200.351 1.161 10 0 BDAELP CC(C)c1nc(NC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000212411394 344137862 /nfs/dbraw/zinc/13/78/62/344137862.db2.gz KZJPGFMKZJWABS-SNVBAGLBSA-N 2 2 220.320 1.764 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000045037652 344554844 /nfs/dbraw/zinc/55/48/44/344554844.db2.gz NAWOLJLYZKUKOG-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000045037652 344554848 /nfs/dbraw/zinc/55/48/48/344554848.db2.gz NAWOLJLYZKUKOG-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP Cc1[nH]c(CN2CC[N@@H+]3CCCC[C@H]3C2)[nH+]c1C ZINC000628156900 344849736 /nfs/dbraw/zinc/84/97/36/344849736.db2.gz KYCZLGYSNTVZQJ-ZDUSSCGKSA-N 2 2 248.374 1.697 10 0 BDAELP Cc1[nH]c(CN2CC[N@H+]3CCCC[C@H]3C2)[nH+]c1C ZINC000628156900 344849739 /nfs/dbraw/zinc/84/97/39/344849739.db2.gz KYCZLGYSNTVZQJ-ZDUSSCGKSA-N 2 2 248.374 1.697 10 0 BDAELP C[NH+](C)CC[C@]1(C)[NH2+]CCc2ccoc21 ZINC000715208655 537868697 /nfs/dbraw/zinc/86/86/97/537868697.db2.gz ONSGRQJHEMLKQW-LBPRGKRZSA-N 2 2 208.305 1.592 10 0 BDAELP Cc1[nH]c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)[nH+]c1C ZINC000628176163 344900620 /nfs/dbraw/zinc/90/06/20/344900620.db2.gz YNXBOFOLVJRIJF-ZWNOBZJWSA-N 2 2 248.374 1.695 10 0 BDAELP Cc1[nH]c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)[nH+]c1C ZINC000628176163 344900623 /nfs/dbraw/zinc/90/06/23/344900623.db2.gz YNXBOFOLVJRIJF-ZWNOBZJWSA-N 2 2 248.374 1.695 10 0 BDAELP C[C@@H](c1cnccn1)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247965559 344993340 /nfs/dbraw/zinc/99/33/40/344993340.db2.gz HOVQNNDWSVBKSG-RYUDHWBXSA-N 2 2 234.347 1.469 10 0 BDAELP C[C@@H](c1cnccn1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000247965559 344993342 /nfs/dbraw/zinc/99/33/42/344993342.db2.gz HOVQNNDWSVBKSG-RYUDHWBXSA-N 2 2 234.347 1.469 10 0 BDAELP Cn1cc([C@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cn1 ZINC000634992167 345179769 /nfs/dbraw/zinc/17/97/69/345179769.db2.gz GKAPOVQXVPXNQV-HRDQMINSSA-N 2 2 246.358 1.309 10 0 BDAELP Cn1cc([C@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cn1 ZINC000634992167 345179771 /nfs/dbraw/zinc/17/97/71/345179771.db2.gz GKAPOVQXVPXNQV-HRDQMINSSA-N 2 2 246.358 1.309 10 0 BDAELP Cc1cc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc[nH+]1 ZINC000136194959 345486105 /nfs/dbraw/zinc/48/61/05/345486105.db2.gz RZDGPAIFHMVEBL-ZDUSSCGKSA-N 2 2 233.315 1.861 10 0 BDAELP CC(C)c1nc(NC[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000212411083 345733240 /nfs/dbraw/zinc/73/32/40/345733240.db2.gz NKWNTIRPOMUEAH-JTQLQIEISA-N 2 2 220.320 1.621 10 0 BDAELP C[C@H](COCc1ccccc1)[NH2+][C@H]1CC[NH2+]C1 ZINC000307331283 229561211 /nfs/dbraw/zinc/56/12/11/229561211.db2.gz OUQTXTGZWHSVPA-OCCSQVGLSA-N 2 2 234.343 1.543 10 0 BDAELP [NH3+]C[C@@H]1C[NH2+]C[C@@H](C[NH+]2CCCCCC2)C1 ZINC000669378990 537973800 /nfs/dbraw/zinc/97/38/00/537973800.db2.gz RQQFAFSFTIVENT-OLZOCXBDSA-N 3 2 225.380 1.047 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(C)c(Br)c1 ZINC000164868979 346630405 /nfs/dbraw/zinc/63/04/05/346630405.db2.gz DBXBFDJEIRMZHO-JTQLQIEISA-N 2 2 243.148 1.977 10 0 BDAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCSC[C@H]1C ZINC000251197249 362844643 /nfs/dbraw/zinc/84/46/43/362844643.db2.gz FGWBPIZKBJROKJ-SFYZADRCSA-N 2 2 201.339 1.138 10 0 BDAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CCSC[C@H]1C ZINC000251197249 362844645 /nfs/dbraw/zinc/84/46/45/362844645.db2.gz FGWBPIZKBJROKJ-SFYZADRCSA-N 2 2 201.339 1.138 10 0 BDAELP COC[C@@H](C)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000390644875 259396456 /nfs/dbraw/zinc/39/64/56/259396456.db2.gz NPRYWDVCUYKZQQ-VHSXEESVSA-N 2 2 223.320 1.139 10 0 BDAELP COC[C@@H](C)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000390644875 259396457 /nfs/dbraw/zinc/39/64/57/259396457.db2.gz NPRYWDVCUYKZQQ-VHSXEESVSA-N 2 2 223.320 1.139 10 0 BDAELP COC[C@H](C)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000390644860 259396462 /nfs/dbraw/zinc/39/64/62/259396462.db2.gz NPRYWDVCUYKZQQ-NXEZZACHSA-N 2 2 223.320 1.139 10 0 BDAELP COC[C@H](C)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000390644860 259396463 /nfs/dbraw/zinc/39/64/63/259396463.db2.gz NPRYWDVCUYKZQQ-NXEZZACHSA-N 2 2 223.320 1.139 10 0 BDAELP COCC[C@H](C)[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000310647049 187392976 /nfs/dbraw/zinc/39/29/76/187392976.db2.gz FHNAMKKJCRPLMX-QEJZJMRPSA-N 2 2 248.370 1.838 10 0 BDAELP COCC[C@H](C)[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000310647049 187392978 /nfs/dbraw/zinc/39/29/78/187392978.db2.gz FHNAMKKJCRPLMX-QEJZJMRPSA-N 2 2 248.370 1.838 10 0 BDAELP [NH3+]C1(C[NH+]2CCSCC2)CCCC1 ZINC000037479593 348617613 /nfs/dbraw/zinc/61/76/13/348617613.db2.gz ANEHARVDECDMJJ-UHFFFAOYSA-N 2 2 200.351 1.307 10 0 BDAELP C[C@H]1CCC[C@H](C)[NH+]1CC1=[NH+]CCCN1 ZINC000669384918 538018429 /nfs/dbraw/zinc/01/84/29/538018429.db2.gz NGRNDOQKKYLVEN-QWRGUYRKSA-N 2 2 209.337 1.641 10 0 BDAELP C[C@H]1CC[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000399303304 323203431 /nfs/dbraw/zinc/20/34/31/323203431.db2.gz XZWCEWHHJCOVRZ-NWDGAFQWSA-N 2 2 223.320 1.118 10 0 BDAELP C[C@H]1CC[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000399303304 323203432 /nfs/dbraw/zinc/20/34/32/323203432.db2.gz XZWCEWHHJCOVRZ-NWDGAFQWSA-N 2 2 223.320 1.118 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CCC[N@H+](CC)C1)[C@@H]1CCOC1 ZINC000133056725 191036515 /nfs/dbraw/zinc/03/65/15/191036515.db2.gz ZOPFOLRNHQGBIC-MCIONIFRSA-N 2 2 240.391 1.875 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](CC)C1)[C@@H]1CCOC1 ZINC000133056725 191036518 /nfs/dbraw/zinc/03/65/18/191036518.db2.gz ZOPFOLRNHQGBIC-MCIONIFRSA-N 2 2 240.391 1.875 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070975624 180250758 /nfs/dbraw/zinc/25/07/58/180250758.db2.gz KFIJYSYAKROCHY-ZDUSSCGKSA-N 3 2 236.363 1.395 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070975624 180250761 /nfs/dbraw/zinc/25/07/61/180250761.db2.gz KFIJYSYAKROCHY-ZDUSSCGKSA-N 3 2 236.363 1.395 10 0 BDAELP Nc1ccccc1[C@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616615223 350846094 /nfs/dbraw/zinc/84/60/94/350846094.db2.gz SZBZADCZBRJCOJ-CYBMUJFWSA-N 2 2 219.332 1.755 10 0 BDAELP Nc1ccccc1[C@H]1CCCC[N@H+]1CC[NH3+] ZINC000616615223 350846096 /nfs/dbraw/zinc/84/60/96/350846096.db2.gz SZBZADCZBRJCOJ-CYBMUJFWSA-N 2 2 219.332 1.755 10 0 BDAELP C[C@@H]1[C@H]([NH2+]C2CSC2)CCC[N@@H+]1C ZINC000306700395 350849015 /nfs/dbraw/zinc/84/90/15/350849015.db2.gz FPTAKRDUFMPEQP-PSASIEDQSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1[C@H]([NH2+]C2CSC2)CCC[N@H+]1C ZINC000306700395 350849020 /nfs/dbraw/zinc/84/90/20/350849020.db2.gz FPTAKRDUFMPEQP-PSASIEDQSA-N 2 2 200.351 1.174 10 0 BDAELP Nc1cccc([C@@H]2CCCC[N@@H+]2CC[NH3+])c1 ZINC000616616416 350855097 /nfs/dbraw/zinc/85/50/97/350855097.db2.gz NJIYFTYLBJHFGT-ZDUSSCGKSA-N 2 2 219.332 1.755 10 0 BDAELP Nc1cccc([C@@H]2CCCC[N@H+]2CC[NH3+])c1 ZINC000616616416 350855100 /nfs/dbraw/zinc/85/51/00/350855100.db2.gz NJIYFTYLBJHFGT-ZDUSSCGKSA-N 2 2 219.332 1.755 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C[N@@H+]1C1CC1 ZINC000252711460 538099826 /nfs/dbraw/zinc/09/98/26/538099826.db2.gz JOEITBPPUXFPNL-UHXUPSOCSA-N 2 2 238.375 1.505 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C[N@H+]1C1CC1 ZINC000252711460 538099827 /nfs/dbraw/zinc/09/98/27/538099827.db2.gz JOEITBPPUXFPNL-UHXUPSOCSA-N 2 2 238.375 1.505 10 0 BDAELP C[N@@H+]1CCC[C@H](c2cccc(N)[nH+]2)CC1 ZINC000616630187 351102363 /nfs/dbraw/zinc/10/23/63/351102363.db2.gz YDBBYBQIQJDAQJ-JTQLQIEISA-N 2 2 205.305 1.863 10 0 BDAELP C[N@H+]1CCC[C@H](c2cccc(N)[nH+]2)CC1 ZINC000616630187 351102364 /nfs/dbraw/zinc/10/23/64/351102364.db2.gz YDBBYBQIQJDAQJ-JTQLQIEISA-N 2 2 205.305 1.863 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccnnc2)CC1 ZINC000616627150 351107597 /nfs/dbraw/zinc/10/75/97/351107597.db2.gz FADQARFVYMQTEI-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccnnc2)CC1 ZINC000616627150 351107600 /nfs/dbraw/zinc/10/76/00/351107600.db2.gz FADQARFVYMQTEI-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP Nc1cccc([C@H]2CCCCCN2CC[NH3+])[nH+]1 ZINC000616625142 351092581 /nfs/dbraw/zinc/09/25/81/351092581.db2.gz WHACJZCPANKXJI-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])n1 ZINC000616625142 351092584 /nfs/dbraw/zinc/09/25/84/351092584.db2.gz WHACJZCPANKXJI-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])n1 ZINC000616625142 351092588 /nfs/dbraw/zinc/09/25/88/351092588.db2.gz WHACJZCPANKXJI-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccno1 ZINC000616624960 351093101 /nfs/dbraw/zinc/09/31/01/351093101.db2.gz JBHSEVUTGJTEOV-JTQLQIEISA-N 2 2 209.293 1.550 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccno1 ZINC000616624960 351093103 /nfs/dbraw/zinc/09/31/03/351093103.db2.gz JBHSEVUTGJTEOV-JTQLQIEISA-N 2 2 209.293 1.550 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616628389 351097499 /nfs/dbraw/zinc/09/74/99/351097499.db2.gz KKKXNHKBCYNCRU-CYBMUJFWSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616628389 351097502 /nfs/dbraw/zinc/09/75/02/351097502.db2.gz KKKXNHKBCYNCRU-CYBMUJFWSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616628743 351099584 /nfs/dbraw/zinc/09/95/84/351099584.db2.gz QMUPQQSOXSTQMX-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616628743 351099585 /nfs/dbraw/zinc/09/95/85/351099585.db2.gz QMUPQQSOXSTQMX-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP c1cn([C@H]2C[N@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616644088 351160802 /nfs/dbraw/zinc/16/08/02/351160802.db2.gz IGURYYKGXCGIMJ-CQSZACIVSA-N 2 2 243.310 1.914 10 0 BDAELP c1cn([C@H]2C[N@@H+](Cc3ccccc3)CCO2)c[nH+]1 ZINC000616644088 351160803 /nfs/dbraw/zinc/16/08/03/351160803.db2.gz IGURYYKGXCGIMJ-CQSZACIVSA-N 2 2 243.310 1.914 10 0 BDAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)C1CC(F)(F)C1 ZINC000307147029 351498867 /nfs/dbraw/zinc/49/88/67/351498867.db2.gz HOMLNUUNWXPEQL-SSDOTTSWSA-N 2 2 201.220 1.325 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000232008591 351506143 /nfs/dbraw/zinc/50/61/43/351506143.db2.gz WJWQHBJCNRSDNV-URNYOCNJSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000232008591 351506146 /nfs/dbraw/zinc/50/61/46/351506146.db2.gz WJWQHBJCNRSDNV-URNYOCNJSA-N 2 2 202.729 1.798 10 0 BDAELP CC[C@@H]1CS[C@@]2(CCC[NH2+][C@H]2C)[NH2+]1 ZINC000307201123 351602257 /nfs/dbraw/zinc/60/22/57/351602257.db2.gz ZMPJTPYBOBUCFU-IVZWLZJFSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]1CC[C@@]2(C[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000307240256 351732974 /nfs/dbraw/zinc/73/29/74/351732974.db2.gz GVSAPYQNFPJWHO-WCBMZHEXSA-N 2 2 200.351 1.570 10 0 BDAELP NC(=[NH2+])[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000307257851 351796072 /nfs/dbraw/zinc/79/60/72/351796072.db2.gz BLGVOGZEKYTRCM-GFCCVEGCSA-N 2 2 217.316 1.977 10 0 BDAELP NC(=[NH2+])[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000307257851 351796074 /nfs/dbraw/zinc/79/60/74/351796074.db2.gz BLGVOGZEKYTRCM-GFCCVEGCSA-N 2 2 217.316 1.977 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CS1 ZINC000307332164 352048214 /nfs/dbraw/zinc/04/82/14/352048214.db2.gz CEBWICPIKXPZKB-KXUCPTDWSA-N 2 2 200.351 1.222 10 0 BDAELP C[C@@H]1C[C@@](C[NH3+])([NH+]2CC(C)(C)C2)CS1 ZINC000307322384 352015813 /nfs/dbraw/zinc/01/58/13/352015813.db2.gz YXLXFXZAMSEZAY-KOLCDFICSA-N 2 2 214.378 1.551 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccnc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630075857 363163036 /nfs/dbraw/zinc/16/30/36/363163036.db2.gz HEDHBBDIZJLOMA-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccnc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630075857 363163039 /nfs/dbraw/zinc/16/30/39/363163039.db2.gz HEDHBBDIZJLOMA-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP CCN1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000040502063 352597699 /nfs/dbraw/zinc/59/76/99/352597699.db2.gz XSVUHTRNPLJQFV-ZDUSSCGKSA-N 2 2 225.380 1.155 10 0 BDAELP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+]1C ZINC000307485717 352620756 /nfs/dbraw/zinc/62/07/56/352620756.db2.gz BHFXLHOBJFAKQW-KZVJFYERSA-N 2 2 204.264 1.322 10 0 BDAELP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+]1C ZINC000307485717 352620757 /nfs/dbraw/zinc/62/07/57/352620757.db2.gz BHFXLHOBJFAKQW-KZVJFYERSA-N 2 2 204.264 1.322 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000035774956 188104394 /nfs/dbraw/zinc/10/43/94/188104394.db2.gz PHMMVWUFPYPFID-RYUDHWBXSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000035774956 188104396 /nfs/dbraw/zinc/10/43/96/188104396.db2.gz PHMMVWUFPYPFID-RYUDHWBXSA-N 2 2 214.353 1.471 10 0 BDAELP COc1ccc(C[N@H+](C)C(C)(C)C[NH3+])cc1 ZINC000020226825 188108571 /nfs/dbraw/zinc/10/85/71/188108571.db2.gz VJEYDHLGLFJYLI-UHFFFAOYSA-N 2 2 222.332 1.864 10 0 BDAELP COc1ccc(C[N@@H+](C)C(C)(C)C[NH3+])cc1 ZINC000020226825 188108573 /nfs/dbraw/zinc/10/85/73/188108573.db2.gz VJEYDHLGLFJYLI-UHFFFAOYSA-N 2 2 222.332 1.864 10 0 BDAELP Cc1cc(N[C@@H]2CCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000040673345 188118461 /nfs/dbraw/zinc/11/84/61/188118461.db2.gz LXFDXUIKEZCARK-LLVKDONJSA-N 2 2 220.320 1.600 10 0 BDAELP Cc1cc(N[C@@H]2CCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000040673345 188118463 /nfs/dbraw/zinc/11/84/63/188118463.db2.gz LXFDXUIKEZCARK-LLVKDONJSA-N 2 2 220.320 1.600 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461547 188119546 /nfs/dbraw/zinc/11/95/46/188119546.db2.gz SPBGTQAQFWYSKP-ZDUSSCGKSA-N 2 2 228.380 1.861 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461547 188119548 /nfs/dbraw/zinc/11/95/48/188119548.db2.gz SPBGTQAQFWYSKP-ZDUSSCGKSA-N 2 2 228.380 1.861 10 0 BDAELP Cc1cc(N[C@@H](C)CCCC[NH3+])nc[nH+]1 ZINC000308834879 188165265 /nfs/dbraw/zinc/16/52/65/188165265.db2.gz KVKHEROOTUNLLP-VIFPVBQESA-N 2 2 208.309 1.714 10 0 BDAELP CN(C)c1cc[nH+]c(C[NH3+])c1OC1CC1 ZINC000095724608 188147241 /nfs/dbraw/zinc/14/72/41/188147241.db2.gz BIIGSJQCDRMJGA-UHFFFAOYSA-N 2 2 207.277 1.148 10 0 BDAELP CC(C)[N@H+](C)CC[NH2+]CC1CCOCC1 ZINC000054111442 188176732 /nfs/dbraw/zinc/17/67/32/188176732.db2.gz ZNOBPCHYUSTARA-UHFFFAOYSA-N 2 2 214.353 1.343 10 0 BDAELP CC(C)[N@@H+](C)CC[NH2+]CC1CCOCC1 ZINC000054111442 188176734 /nfs/dbraw/zinc/17/67/34/188176734.db2.gz ZNOBPCHYUSTARA-UHFFFAOYSA-N 2 2 214.353 1.343 10 0 BDAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C1CC1)C2 ZINC000165283280 353280105 /nfs/dbraw/zinc/28/01/05/353280105.db2.gz RQBHOOBQDGFPQT-PWSUYJOCSA-N 2 2 219.332 1.894 10 0 BDAELP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335222521 355063211 /nfs/dbraw/zinc/06/32/11/355063211.db2.gz HACUTPUBSIVZHW-WDEREUQCSA-N 2 2 218.300 1.114 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCC2)C1 ZINC000639266641 355325991 /nfs/dbraw/zinc/32/59/91/355325991.db2.gz KVYFXPVOYOPTSL-KBPBESRZSA-N 2 2 240.391 1.875 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCC2)C1 ZINC000639266641 355325993 /nfs/dbraw/zinc/32/59/93/355325993.db2.gz KVYFXPVOYOPTSL-KBPBESRZSA-N 2 2 240.391 1.875 10 0 BDAELP NC(=[NH2+])c1ccccc1Cn1cc[nH+]c1 ZINC000019487848 181196360 /nfs/dbraw/zinc/19/63/60/181196360.db2.gz WAZAZTVQOIKPGD-UHFFFAOYSA-N 2 2 200.245 1.215 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000389167035 355742267 /nfs/dbraw/zinc/74/22/67/355742267.db2.gz MUGCZAIIAOLZBE-NSHDSACASA-N 2 2 222.336 1.210 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)n[nH]c2C)C1 ZINC000389167035 355742268 /nfs/dbraw/zinc/74/22/68/355742268.db2.gz MUGCZAIIAOLZBE-NSHDSACASA-N 2 2 222.336 1.210 10 0 BDAELP Cc1ccoc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000399159440 355777629 /nfs/dbraw/zinc/77/76/29/355777629.db2.gz DRTVSMYJWIUAQH-UHFFFAOYSA-N 2 2 238.331 1.134 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000630093376 363527140 /nfs/dbraw/zinc/52/71/40/363527140.db2.gz NKJNJSUJAROGEC-ZJUUUORDSA-N 2 2 221.304 1.121 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2cccc(F)c2)C[NH2+]C1 ZINC000675077726 538513872 /nfs/dbraw/zinc/51/38/72/538513872.db2.gz HPVAGYLFAONCOU-GFCCVEGCSA-N 2 2 206.264 1.225 10 0 BDAELP Cc1ccc(CC2=C[C@H]([NH3+])C[NH2+]C2)cc1 ZINC000675077859 538515613 /nfs/dbraw/zinc/51/56/13/538515613.db2.gz SGCOZPMJOITQSW-ZDUSSCGKSA-N 2 2 202.301 1.394 10 0 BDAELP Cc1cc(C2=C[C@@H]([NH3+])C[NH2+]C2)ccc1F ZINC000675079285 538518254 /nfs/dbraw/zinc/51/82/54/538518254.db2.gz XLWIGDOWNVNISG-LLVKDONJSA-N 2 2 206.264 1.448 10 0 BDAELP COc1ccc[nH+]c1NCC[C@@H]1CC[NH2+]C1 ZINC000160283872 357272868 /nfs/dbraw/zinc/27/28/68/357272868.db2.gz PDBHCXRSLUVNHZ-JTQLQIEISA-N 2 2 221.304 1.502 10 0 BDAELP Cc1cnc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)o1 ZINC000230644600 357543121 /nfs/dbraw/zinc/54/31/21/357543121.db2.gz NWQYJVTZBSLQCZ-LLVKDONJSA-N 2 2 234.303 1.920 10 0 BDAELP CC1CC[NH+]([C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC000685948240 538890084 /nfs/dbraw/zinc/89/00/84/538890084.db2.gz CPSHMAPKZNDMOQ-WDEREUQCSA-N 2 2 200.301 1.418 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C[C@@H]2F)[C@H]1C ZINC000685948582 538890764 /nfs/dbraw/zinc/89/07/64/538890764.db2.gz QNQSHILBZRIYJG-NOOOWODRSA-N 2 2 214.328 1.807 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C[C@@H]2F)[C@H]1C ZINC000685948582 538890766 /nfs/dbraw/zinc/89/07/66/538890766.db2.gz QNQSHILBZRIYJG-NOOOWODRSA-N 2 2 214.328 1.807 10 0 BDAELP COc1ccc[nH+]c1N(C)CC(C)(C)C[NH3+] ZINC000160294707 357742331 /nfs/dbraw/zinc/74/23/31/357742331.db2.gz QPRIDMGWPLMICD-UHFFFAOYSA-N 2 2 223.320 1.511 10 0 BDAELP CO[C@H](C)[C@@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000133244525 358748545 /nfs/dbraw/zinc/74/85/45/358748545.db2.gz PPCSBOQVIKXQAL-JHJVBQTASA-N 2 2 230.396 1.976 10 0 BDAELP C(C[NH+]1CCCC1)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000132276869 358715177 /nfs/dbraw/zinc/71/51/77/358715177.db2.gz FSBBBJJARNSQRQ-AWEZNQCLSA-N 2 2 238.375 1.583 10 0 BDAELP C(C[NH+]1CCCC1)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000132276869 358715181 /nfs/dbraw/zinc/71/51/81/358715181.db2.gz FSBBBJJARNSQRQ-AWEZNQCLSA-N 2 2 238.375 1.583 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000246933584 359195455 /nfs/dbraw/zinc/19/54/55/359195455.db2.gz HFBQNYZXKZNCGD-MELADBBJSA-N 2 2 242.407 1.977 10 0 BDAELP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cscn1 ZINC000306206085 359295531 /nfs/dbraw/zinc/29/55/31/359295531.db2.gz PKXRWRKVZBPPGS-WPRPVWTQSA-N 2 2 211.334 1.231 10 0 BDAELP CC(C[N@@H+]1CCC(F)(F)C1)=C1C[NH2+]C1 ZINC000306245014 359433011 /nfs/dbraw/zinc/43/30/11/359433011.db2.gz UQNZOOUGXOLVKM-UHFFFAOYSA-N 2 2 202.248 1.247 10 0 BDAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H](C)OC ZINC000306535484 360400312 /nfs/dbraw/zinc/40/03/12/360400312.db2.gz GHWHXEXOODMYJC-TZMCWYRMSA-N 2 2 236.359 1.871 10 0 BDAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])[C@@H](C)OC ZINC000306535484 360400315 /nfs/dbraw/zinc/40/03/15/360400315.db2.gz GHWHXEXOODMYJC-TZMCWYRMSA-N 2 2 236.359 1.871 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@@H](C[NH3+])C1CC1 ZINC000069760803 360408254 /nfs/dbraw/zinc/40/82/54/360408254.db2.gz ZWMUOWDNLSFFBD-WPRPVWTQSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@@H](C[NH3+])C1CC1 ZINC000069760803 360408257 /nfs/dbraw/zinc/40/82/57/360408257.db2.gz ZWMUOWDNLSFFBD-WPRPVWTQSA-N 2 2 200.351 1.161 10 0 BDAELP [NH3+][C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccs1 ZINC000069800132 360559064 /nfs/dbraw/zinc/55/90/64/360559064.db2.gz HUUZMJDCQIUYEV-MWLCHTKSSA-N 2 2 208.330 1.985 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccs1 ZINC000069800132 360559068 /nfs/dbraw/zinc/55/90/68/360559068.db2.gz HUUZMJDCQIUYEV-MWLCHTKSSA-N 2 2 208.330 1.985 10 0 BDAELP CC(C)CCC[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000309603407 491152173 /nfs/dbraw/zinc/15/21/73/491152173.db2.gz KRCNKFUFVPBOHV-CYBMUJFWSA-N 2 2 228.380 1.469 10 0 BDAELP CC(C)CCC[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000309603407 491152174 /nfs/dbraw/zinc/15/21/74/491152174.db2.gz KRCNKFUFVPBOHV-CYBMUJFWSA-N 2 2 228.380 1.469 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630355749 364076998 /nfs/dbraw/zinc/07/69/98/364076998.db2.gz KIZIYTYRXCUOOD-KGLIPLIRSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630355749 364077003 /nfs/dbraw/zinc/07/70/03/364077003.db2.gz KIZIYTYRXCUOOD-KGLIPLIRSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@H]1C[N@H+](CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630368091 364084754 /nfs/dbraw/zinc/08/47/54/364084754.db2.gz QGNMQXIMOVUNMS-ZIAGYGMSSA-N 2 2 249.358 1.062 10 0 BDAELP CO[C@H]1C[N@@H+](CCc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630368091 364084761 /nfs/dbraw/zinc/08/47/61/364084761.db2.gz QGNMQXIMOVUNMS-ZIAGYGMSSA-N 2 2 249.358 1.062 10 0 BDAELP CCCCOCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630361155 364080629 /nfs/dbraw/zinc/08/06/29/364080629.db2.gz IMWMPAYJFUUESG-QWHCGFSZSA-N 2 2 244.379 1.241 10 0 BDAELP CCCCOCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000630361155 364080634 /nfs/dbraw/zinc/08/06/34/364080634.db2.gz IMWMPAYJFUUESG-QWHCGFSZSA-N 2 2 244.379 1.241 10 0 BDAELP [NH3+]C[C@@H](c1ccncc1)[NH+]1CCCCCC1 ZINC000032021372 181426098 /nfs/dbraw/zinc/42/60/98/181426098.db2.gz XTECSTIGLPSGNR-ZDUSSCGKSA-N 2 2 219.332 1.957 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000382403023 367516353 /nfs/dbraw/zinc/51/63/53/367516353.db2.gz QWDXHNGZDJWCBY-XKAARJIMSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000382403023 367516359 /nfs/dbraw/zinc/51/63/59/367516359.db2.gz QWDXHNGZDJWCBY-XKAARJIMSA-N 2 2 224.348 1.236 10 0 BDAELP CC[C@@H]1CN(c2[nH+]cccc2OC)CC[C@H]1[NH3+] ZINC000252764315 368053396 /nfs/dbraw/zinc/05/33/96/368053396.db2.gz FGXRXWLZZUQSJG-GHMZBOCLSA-N 2 2 235.331 1.654 10 0 BDAELP [NH3+][C@H]1CCC[N@H+](C[C@H]2CSCCS2)C1 ZINC000253011780 368276627 /nfs/dbraw/zinc/27/66/27/368276627.db2.gz CSSNGGKVLJUWDT-UWVGGRQHSA-N 2 2 232.418 1.258 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+](C[C@H]2CSCCS2)C1 ZINC000253011780 368276631 /nfs/dbraw/zinc/27/66/31/368276631.db2.gz CSSNGGKVLJUWDT-UWVGGRQHSA-N 2 2 232.418 1.258 10 0 BDAELP C[C@@H](C[N@H+](C)Cc1noc(C[NH3+])n1)C(C)(C)C ZINC000399746468 368542540 /nfs/dbraw/zinc/54/25/40/368542540.db2.gz RVGPXXDBPPMUOX-VIFPVBQESA-N 2 2 240.351 1.642 10 0 BDAELP C[C@@H](C[N@@H+](C)Cc1noc(C[NH3+])n1)C(C)(C)C ZINC000399746468 368542543 /nfs/dbraw/zinc/54/25/43/368542543.db2.gz RVGPXXDBPPMUOX-VIFPVBQESA-N 2 2 240.351 1.642 10 0 BDAELP CC(C)(C)[C@@H]1C[N@H+](CC[NH3+])CCCO1 ZINC000616680253 369111549 /nfs/dbraw/zinc/11/15/49/369111549.db2.gz QKHSFIDSWYGYNS-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@@H]1C[N@@H+](CC[NH3+])CCCO1 ZINC000616680253 369111551 /nfs/dbraw/zinc/11/15/51/369111551.db2.gz QKHSFIDSWYGYNS-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP C[C@@H]1SCC[N@H+]([C@@H]2CC[NH2+]C2)[C@H]1C ZINC000132424389 371819440 /nfs/dbraw/zinc/81/94/40/371819440.db2.gz FZCORUICCUJOBP-LPEHRKFASA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1SCC[N@@H+]([C@@H]2CC[NH2+]C2)[C@H]1C ZINC000132424389 371819442 /nfs/dbraw/zinc/81/94/42/371819442.db2.gz FZCORUICCUJOBP-LPEHRKFASA-N 2 2 200.351 1.174 10 0 BDAELP Cc1[nH+]cc(-c2ccsc2C[NH3+])n1C ZINC000306592609 372041566 /nfs/dbraw/zinc/04/15/66/372041566.db2.gz ZVUDSIMYYHJOGO-UHFFFAOYSA-N 2 2 207.302 1.916 10 0 BDAELP CC[N@H+](Cc1ccccc1)C[C@@](C)([NH3+])CO ZINC000307593659 372130207 /nfs/dbraw/zinc/13/02/07/372130207.db2.gz JIVQZCXCDIUDBY-CYBMUJFWSA-N 2 2 222.332 1.218 10 0 BDAELP CC[N@@H+](Cc1ccccc1)C[C@@](C)([NH3+])CO ZINC000307593659 372130210 /nfs/dbraw/zinc/13/02/10/372130210.db2.gz JIVQZCXCDIUDBY-CYBMUJFWSA-N 2 2 222.332 1.218 10 0 BDAELP CC[N@@H+]1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059187 170024808 /nfs/dbraw/zinc/02/48/08/170024808.db2.gz CWROOVJLTOVRHP-ZETCQYMHSA-N 2 2 211.334 1.541 10 0 BDAELP CC[N@H+]1CCc2nc([C@H](C)[NH3+])sc2C1 ZINC000041059187 170024809 /nfs/dbraw/zinc/02/48/09/170024809.db2.gz CWROOVJLTOVRHP-ZETCQYMHSA-N 2 2 211.334 1.541 10 0 BDAELP OC1(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000333107405 183015782 /nfs/dbraw/zinc/01/57/82/183015782.db2.gz RGPQNNZASKNUJW-LLVKDONJSA-N 2 2 235.331 1.504 10 0 BDAELP OC1(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000333107405 183015784 /nfs/dbraw/zinc/01/57/84/183015784.db2.gz RGPQNNZASKNUJW-LLVKDONJSA-N 2 2 235.331 1.504 10 0 BDAELP OC1(C[NH2+]CC[NH+]2CCCCC2)CCCCC1 ZINC000049574248 183019281 /nfs/dbraw/zinc/01/92/81/183019281.db2.gz NNTNOAOQTOLGOV-UHFFFAOYSA-N 2 2 240.391 1.757 10 0 BDAELP OCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645070 183056630 /nfs/dbraw/zinc/05/66/30/183056630.db2.gz OAYORRQTVTWJCI-LBPRGKRZSA-N 2 2 235.331 1.198 10 0 BDAELP OCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645070 183056632 /nfs/dbraw/zinc/05/66/32/183056632.db2.gz OAYORRQTVTWJCI-LBPRGKRZSA-N 2 2 235.331 1.198 10 0 BDAELP Oc1ccc2[nH]c(CC[NH2+]C3CC3)[nH+]c2c1 ZINC000074326244 183285788 /nfs/dbraw/zinc/28/57/88/183285788.db2.gz OEUNNPARGBKTDK-UHFFFAOYSA-N 2 2 217.272 1.563 10 0 BDAELP CCC[NH+]1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000049714174 169187387 /nfs/dbraw/zinc/18/73/87/169187387.db2.gz JZFPTSLTLRVNGP-TZMCWYRMSA-N 3 2 239.407 1.530 10 0 BDAELP CCC[NH+]1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000049714174 169187389 /nfs/dbraw/zinc/18/73/89/169187389.db2.gz JZFPTSLTLRVNGP-TZMCWYRMSA-N 3 2 239.407 1.530 10 0 BDAELP CCC[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000037267480 169256071 /nfs/dbraw/zinc/25/60/71/169256071.db2.gz SSJIDHWHKPAOJQ-UHFFFAOYSA-N 3 2 239.407 1.545 10 0 BDAELP c1ccc(C[NH+]2CC3(C2)CC[NH2+]C3)cc1 ZINC000066339744 183397001 /nfs/dbraw/zinc/39/70/01/183397001.db2.gz FROMIMGVGOIYNE-UHFFFAOYSA-N 2 2 202.301 1.482 10 0 BDAELP C[C@H]1C[NH2+]CCN1c1cc[nH+]c(C2CC2)n1 ZINC000409436721 383843355 /nfs/dbraw/zinc/84/33/55/383843355.db2.gz XWDLOEQNKNHLAE-VIFPVBQESA-N 2 2 218.304 1.152 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000035676918 384087582 /nfs/dbraw/zinc/08/75/82/384087582.db2.gz IWYPOJGIGIBKEG-MRVPVSSYSA-N 2 2 233.084 1.547 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000072200989 384199983 /nfs/dbraw/zinc/19/99/83/384199983.db2.gz HEEMGQNZJGFHRD-MRVPVSSYSA-N 2 2 220.194 1.544 10 0 BDAELP Clc1nccnc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000095070373 384336499 /nfs/dbraw/zinc/33/64/99/384336499.db2.gz PSTYSAHGBKRRSS-SECBINFHSA-N 2 2 240.738 1.219 10 0 BDAELP Cc1n[nH]cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000120915837 384389413 /nfs/dbraw/zinc/38/94/13/384389413.db2.gz AQKQTWNJCPUUDZ-LLVKDONJSA-N 2 2 222.336 1.102 10 0 BDAELP Cc1n[nH]cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000120915837 384389420 /nfs/dbraw/zinc/38/94/20/384389420.db2.gz AQKQTWNJCPUUDZ-LLVKDONJSA-N 2 2 222.336 1.102 10 0 BDAELP Cc1n[nH]cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000120915837 384389427 /nfs/dbraw/zinc/38/94/27/384389427.db2.gz AQKQTWNJCPUUDZ-LLVKDONJSA-N 2 2 222.336 1.102 10 0 BDAELP Cc1n[nH]cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000120915837 384389433 /nfs/dbraw/zinc/38/94/33/384389433.db2.gz AQKQTWNJCPUUDZ-LLVKDONJSA-N 2 2 222.336 1.102 10 0 BDAELP c1cc(N[C@@H]2CCC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC000212229601 384562000 /nfs/dbraw/zinc/56/20/00/384562000.db2.gz QRYUGFTUAUFBDA-SNVBAGLBSA-N 2 2 218.304 1.518 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000044470153 384735438 /nfs/dbraw/zinc/73/54/38/384735438.db2.gz WGOGBOXDUDJPTM-MRVPVSSYSA-N 2 2 222.185 1.803 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000072201256 384816671 /nfs/dbraw/zinc/81/66/71/384816671.db2.gz AJUZWQZANVPSGQ-ZETCQYMHSA-N 2 2 231.093 1.113 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1c(F)cccc1Br ZINC000072201276 384815226 /nfs/dbraw/zinc/81/52/26/384815226.db2.gz DNFBZWKYGBWUSR-ZETCQYMHSA-N 2 2 233.084 1.547 10 0 BDAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C(C)C)nc[nH+]1 ZINC000105909038 384887703 /nfs/dbraw/zinc/88/77/03/384887703.db2.gz NSEABTQSKRJVQJ-LLVKDONJSA-N 2 2 249.362 1.485 10 0 BDAELP [NH3+]C[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1 ZINC000044672471 385221534 /nfs/dbraw/zinc/22/15/34/385221534.db2.gz UOCGLNOTFZZOEA-STQMWFEESA-N 2 2 202.301 1.610 10 0 BDAELP [NH3+]C[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000044672471 385221539 /nfs/dbraw/zinc/22/15/39/385221539.db2.gz UOCGLNOTFZZOEA-STQMWFEESA-N 2 2 202.301 1.610 10 0 BDAELP CO[C@H](C[NH2+][C@H](CC(C)C)C[NH+](C)C)C1CC1 ZINC000400167585 385333551 /nfs/dbraw/zinc/33/35/51/385333551.db2.gz LNECKODKHLAKGU-ZIAGYGMSSA-N 2 2 242.407 1.977 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000309031360 385378496 /nfs/dbraw/zinc/37/84/96/385378496.db2.gz DYUYJXVYCZBFSX-QJPTWQEYSA-N 2 2 214.353 1.341 10 0 BDAELP CC[C@H](COC)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000309031360 385378498 /nfs/dbraw/zinc/37/84/98/385378498.db2.gz DYUYJXVYCZBFSX-QJPTWQEYSA-N 2 2 214.353 1.341 10 0 BDAELP CCN(CC[NH3+])c1[nH+]c2ccccc2n1C ZINC000165941682 385426560 /nfs/dbraw/zinc/42/65/60/385426560.db2.gz VXBIBVATCYAPMD-UHFFFAOYSA-N 2 2 218.304 1.358 10 0 BDAELP c1ccc2[nH+]c(N3CC[N@@H+]4CCC[C@@H]4C3)[nH]c2c1 ZINC000179292787 385457281 /nfs/dbraw/zinc/45/72/81/385457281.db2.gz PVYCYUNPRUQUHV-LLVKDONJSA-N 2 2 242.326 1.847 10 0 BDAELP c1ccc2[nH+]c(N3CC[N@H+]4CCC[C@@H]4C3)[nH]c2c1 ZINC000179292787 385457285 /nfs/dbraw/zinc/45/72/85/385457285.db2.gz PVYCYUNPRUQUHV-LLVKDONJSA-N 2 2 242.326 1.847 10 0 BDAELP c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000250644068 385604071 /nfs/dbraw/zinc/60/40/71/385604071.db2.gz IKSVZAZIOXSKBR-QWHCGFSZSA-N 2 2 202.301 1.480 10 0 BDAELP c1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000250644068 385604073 /nfs/dbraw/zinc/60/40/73/385604073.db2.gz IKSVZAZIOXSKBR-QWHCGFSZSA-N 2 2 202.301 1.480 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(F)cc1Br ZINC000044470347 386778258 /nfs/dbraw/zinc/77/82/58/386778258.db2.gz DAPFBRCCNZYDCI-QMMMGPOBSA-N 2 2 233.084 1.547 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccccn1 ZINC000396584861 386779288 /nfs/dbraw/zinc/77/92/88/386779288.db2.gz QSPPUQGHUUGJJR-GMXVVIOVSA-N 2 2 219.332 1.873 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000571980947 387214957 /nfs/dbraw/zinc/21/49/57/387214957.db2.gz IOUUZYDMMJCZQR-XQHKEYJVSA-N 2 2 226.364 1.626 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000571980947 387214961 /nfs/dbraw/zinc/21/49/61/387214961.db2.gz IOUUZYDMMJCZQR-XQHKEYJVSA-N 2 2 226.364 1.626 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@H]1[N@@H+]1CCC1(C)C ZINC000575591610 387215334 /nfs/dbraw/zinc/21/53/34/387215334.db2.gz PWOXKGMNCTVYAU-RKDXNWHRSA-N 2 2 200.351 1.174 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@H]1[N@H+]1CCC1(C)C ZINC000575591610 387215339 /nfs/dbraw/zinc/21/53/39/387215339.db2.gz PWOXKGMNCTVYAU-RKDXNWHRSA-N 2 2 200.351 1.174 10 0 BDAELP CC1C[NH+]([C@@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000575494425 387278104 /nfs/dbraw/zinc/27/81/04/387278104.db2.gz RLYJZYNNDZYXLC-UWVGGRQHSA-N 2 2 200.351 1.161 10 0 BDAELP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000514854852 387297973 /nfs/dbraw/zinc/29/79/73/387297973.db2.gz ZZNQEAITUSKOGW-QWRGUYRKSA-N 2 2 239.388 1.929 10 0 BDAELP CC(C)(C)[NH2+]CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324640388 387489867 /nfs/dbraw/zinc/48/98/67/387489867.db2.gz XDDRJBMHMDPZBJ-SNVBAGLBSA-N 2 2 216.369 1.371 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083550722 388054734 /nfs/dbraw/zinc/05/47/34/388054734.db2.gz NFVFNAIXKHFLJT-NWDGAFQWSA-N 2 2 234.347 1.089 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083550722 388054738 /nfs/dbraw/zinc/05/47/38/388054738.db2.gz NFVFNAIXKHFLJT-NWDGAFQWSA-N 2 2 234.347 1.089 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000247074355 388659227 /nfs/dbraw/zinc/65/92/27/388659227.db2.gz OLWBVTNXHCLUPO-IHRRRGAJSA-N 2 2 239.407 1.543 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000247074355 388659229 /nfs/dbraw/zinc/65/92/29/388659229.db2.gz OLWBVTNXHCLUPO-IHRRRGAJSA-N 2 2 239.407 1.543 10 0 BDAELP CC(C)[C@@H]([NH3+])C[NH+]1CCN(c2ccccc2)CC1 ZINC000020072474 132329429 /nfs/dbraw/zinc/32/94/29/132329429.db2.gz DLDAMYDEQDJFOP-HNNXBMFYSA-N 2 2 247.386 1.792 10 0 BDAELP [NH3+]Cc1cc(N2CCO[C@@H]3CCC[C@@H]32)cc[nH+]1 ZINC000051397583 132360399 /nfs/dbraw/zinc/36/03/99/132360399.db2.gz UNSILLKUBCPZIS-QWHCGFSZSA-N 2 2 233.315 1.298 10 0 BDAELP C[C@@H]1CC[C@H](C[NH3+])CN1c1cccc[nH+]1 ZINC000053704254 132363160 /nfs/dbraw/zinc/36/31/60/132363160.db2.gz UATXMXIETOYYOF-GHMZBOCLSA-N 2 2 205.305 1.645 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([NH+](C)C)cc1 ZINC000071537773 132393661 /nfs/dbraw/zinc/39/36/61/132393661.db2.gz JYACNAKXUKLVEY-NWDGAFQWSA-N 2 2 233.359 1.939 10 0 BDAELP CC[C@@H]1CN(c2c[nH+]ccc2C)[C@H](C)C[NH2+]1 ZINC000083102531 132419908 /nfs/dbraw/zinc/41/99/08/132419908.db2.gz LVLOYRBDWPMMBE-VXGBXAGGSA-N 2 2 219.332 1.967 10 0 BDAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCS[C@@H](C)C1 ZINC000220973734 134315340 /nfs/dbraw/zinc/31/53/40/134315340.db2.gz ZZINLQPUJPNSSQ-QWRGUYRKSA-N 2 2 216.394 1.797 10 0 BDAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCS[C@@H](C)C1 ZINC000220973734 134315341 /nfs/dbraw/zinc/31/53/41/134315341.db2.gz ZZINLQPUJPNSSQ-QWRGUYRKSA-N 2 2 216.394 1.797 10 0 BDAELP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000251088063 135063770 /nfs/dbraw/zinc/06/37/70/135063770.db2.gz JOJXIZGFYNPMLN-KKOKHZNYSA-N 2 2 226.364 1.340 10 0 BDAELP C[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252592309 135092217 /nfs/dbraw/zinc/09/22/17/135092217.db2.gz NZZATVLAKGMNPK-IJLUTSLNSA-N 2 2 249.314 1.082 10 0 BDAELP C[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252592309 135092219 /nfs/dbraw/zinc/09/22/19/135092219.db2.gz NZZATVLAKGMNPK-IJLUTSLNSA-N 2 2 249.314 1.082 10 0 BDAELP CC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)C ZINC000252965579 135118311 /nfs/dbraw/zinc/11/83/11/135118311.db2.gz RVVRUBUBZUECKY-AVGNSLFASA-N 2 2 228.380 1.778 10 0 BDAELP Cc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])cc[nH+]1 ZINC000261535259 135169795 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[NH3+]CC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000262944995 135325142 /nfs/dbraw/zinc/32/51/42/135325142.db2.gz JDFRBSNLKNVNTB-CYBMUJFWSA-N 2 2 238.306 1.282 10 0 BDAELP [NH3+]CC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000262944995 135325143 /nfs/dbraw/zinc/32/51/43/135325143.db2.gz JDFRBSNLKNVNTB-CYBMUJFWSA-N 2 2 238.306 1.282 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000053031036 167113240 /nfs/dbraw/zinc/11/32/40/167113240.db2.gz ZQXRVKXVOOJHFB-ZDUSSCGKSA-N 3 2 239.407 1.401 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000053031036 167113243 /nfs/dbraw/zinc/11/32/43/167113243.db2.gz ZQXRVKXVOOJHFB-ZDUSSCGKSA-N 3 2 239.407 1.401 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000309044084 410208256 /nfs/dbraw/zinc/20/82/56/410208256.db2.gz NDXRXRWWLFDCAT-NZEXEKPDSA-N 2 2 210.365 1.961 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[C@H]2C)C1 ZINC000309044084 410208263 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CDJJEPLHDSCXJI-KGLIPLIRSA-N 3 2 239.407 1.402 10 0 BDAELP CC[NH+]1CC[C@H](C[N@H+]2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666718 170013770 /nfs/dbraw/zinc/01/37/70/170013770.db2.gz CDJJEPLHDSCXJI-KGLIPLIRSA-N 3 2 239.407 1.402 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH+]2CC[C@H]([NH2+]C)C[C@@H]2C)C1 ZINC000049712903 170015269 /nfs/dbraw/zinc/01/52/69/170015269.db2.gz HLPZNYZMRVURHQ-IHRRRGAJSA-N 3 2 239.407 1.401 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH+]2CC[C@H]([NH2+]C)C[C@@H]2C)C1 ZINC000049712903 170015270 /nfs/dbraw/zinc/01/52/70/170015270.db2.gz HLPZNYZMRVURHQ-IHRRRGAJSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH+]1CC[C@H](C[N@@H+]2CC[C@H]([NH2+]C)C[C@@H]2C)C1 ZINC000049712903 170015271 /nfs/dbraw/zinc/01/52/71/170015271.db2.gz HLPZNYZMRVURHQ-IHRRRGAJSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH+]1CC[C@H](C[N@H+]2CC[C@H]([NH2+]C)C[C@@H]2C)C1 ZINC000049712903 170015272 /nfs/dbraw/zinc/01/52/72/170015272.db2.gz HLPZNYZMRVURHQ-IHRRRGAJSA-N 3 2 239.407 1.401 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000336781208 170029208 /nfs/dbraw/zinc/02/92/08/170029208.db2.gz UBWADSKARBNFQO-YPMHNXCESA-N 2 2 221.348 1.455 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000336781208 170029209 /nfs/dbraw/zinc/02/92/09/170029209.db2.gz UBWADSKARBNFQO-YPMHNXCESA-N 2 2 221.348 1.455 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779874 170037257 /nfs/dbraw/zinc/03/72/57/170037257.db2.gz PQZAEZOLEJRCFM-WCQYABFASA-N 2 2 224.348 1.263 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779874 170037258 /nfs/dbraw/zinc/03/72/58/170037258.db2.gz PQZAEZOLEJRCFM-WCQYABFASA-N 2 2 224.348 1.263 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCSC2)[C@@H](C)C1 ZINC000336769308 170037415 /nfs/dbraw/zinc/03/74/15/170037415.db2.gz USYBSEHLQDEFFB-SRVKXCTJSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCSC2)[C@@H](C)C1 ZINC000336769308 170037417 /nfs/dbraw/zinc/03/74/17/170037417.db2.gz USYBSEHLQDEFFB-SRVKXCTJSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@@H+]1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860010 170040878 /nfs/dbraw/zinc/04/08/78/170040878.db2.gz QGPLLSQSRNJMAP-CYBMUJFWSA-N 2 2 204.317 1.653 10 0 BDAELP CC[N@H+]1Cc2ccccc2C[C@@H]1C[NH2+]C ZINC000051860010 170040879 /nfs/dbraw/zinc/04/08/79/170040879.db2.gz QGPLLSQSRNJMAP-CYBMUJFWSA-N 2 2 204.317 1.653 10 0 BDAELP CC[NH2+]C(C)(C)C[NH+]1CCSCC1 ZINC000061299643 170107395 /nfs/dbraw/zinc/10/73/95/170107395.db2.gz KWDXLIIGPWBFCQ-UHFFFAOYSA-N 2 2 202.367 1.423 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC000061321550 170120437 /nfs/dbraw/zinc/12/04/37/170120437.db2.gz HFJFSCGBACCRDC-LBPRGKRZSA-N 2 2 234.347 1.216 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000061321550 170120438 /nfs/dbraw/zinc/12/04/38/170120438.db2.gz HFJFSCGBACCRDC-LBPRGKRZSA-N 2 2 234.347 1.216 10 0 BDAELP CC[NH2+]Cc1c(C)nn(C)c1-n1cc[nH+]c1 ZINC000034825236 170124291 /nfs/dbraw/zinc/12/42/91/170124291.db2.gz SKPVTDBKPWCWQP-UHFFFAOYSA-N 2 2 219.292 1.024 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@@H]1C[N@@H+]1CCOC[C@@H]1C ZINC000053858143 170165754 /nfs/dbraw/zinc/16/57/54/170165754.db2.gz ROELUMVACSOCBO-MJBXVCDLSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@@H]1C[N@H+]1CCOC[C@@H]1C ZINC000053858143 170165756 /nfs/dbraw/zinc/16/57/56/170165756.db2.gz ROELUMVACSOCBO-MJBXVCDLSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1CN1CCn2cc[nH+]c2C1 ZINC000062322321 170167296 /nfs/dbraw/zinc/16/72/96/170167296.db2.gz PXZLFBHJJARYDS-STQMWFEESA-N 2 2 248.374 1.477 10 0 BDAELP CC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCCCC1 ZINC000043814390 170168752 /nfs/dbraw/zinc/16/87/52/170168752.db2.gz STOSOBZYMKTUAN-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H]1CCOC[C@H]1[NH+]1CCC(C)CC1 ZINC000043806795 170169050 /nfs/dbraw/zinc/16/90/50/170169050.db2.gz KHGDMJWQGMWVNC-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP CCOC(=O)[C@H](C)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000049369743 170268102 /nfs/dbraw/zinc/26/81/02/170268102.db2.gz QWHNIIMPCWPRKV-QWRGUYRKSA-N 2 2 242.363 1.258 10 0 BDAELP CCOC1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1 ZINC000040690183 170332130 /nfs/dbraw/zinc/33/21/30/170332130.db2.gz OMTHIRHGJQDAKM-GFCCVEGCSA-N 2 2 226.364 1.629 10 0 BDAELP CC[C@@H]([NH2+]CC[NH3+])c1ccccc1OC ZINC000037712870 170895182 /nfs/dbraw/zinc/89/51/82/170895182.db2.gz VWOJNWWRPUHILA-LLVKDONJSA-N 2 2 208.305 1.695 10 0 BDAELP CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265929 412057513 /nfs/dbraw/zinc/05/75/13/412057513.db2.gz UNJNDJBHKWQUGW-CHWSQXEVSA-N 2 2 226.364 1.533 10 0 BDAELP CC[C@@H]1CN(C2=[NH+]CCS2)[C@@H](C)C[NH2+]1 ZINC000083347596 171073363 /nfs/dbraw/zinc/07/33/63/171073363.db2.gz OZOZDJYSLZFQBI-DTWKUNHWSA-N 2 2 213.350 1.162 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2cc(C[NH2+]C)no2)CCO1 ZINC000052477128 171087196 /nfs/dbraw/zinc/08/71/96/171087196.db2.gz SSWBZORKJJNOEH-LLVKDONJSA-N 2 2 239.319 1.005 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2cc(C[NH2+]C)no2)CCO1 ZINC000052477128 171087199 /nfs/dbraw/zinc/08/71/99/171087199.db2.gz SSWBZORKJJNOEH-LLVKDONJSA-N 2 2 239.319 1.005 10 0 BDAELP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cscn1 ZINC000665240776 412183263 /nfs/dbraw/zinc/18/32/63/412183263.db2.gz SCYXJLMADQPVLM-ZJUUUORDSA-N 2 2 225.361 1.936 10 0 BDAELP C[NH+](C)C(C)(C)CNc1[nH+]cccc1N ZINC000043411303 172397231 /nfs/dbraw/zinc/39/72/31/172397231.db2.gz UHCBQFNEVVXQKQ-UHFFFAOYSA-N 2 2 208.309 1.416 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([NH3+])CC1 ZINC000036754159 173003801 /nfs/dbraw/zinc/00/38/01/173003801.db2.gz FXZGEFJPQHRMBF-CYBMUJFWSA-N 3 2 225.380 1.284 10 0 BDAELP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([NH3+])CC1 ZINC000036754159 173003803 /nfs/dbraw/zinc/00/38/03/173003803.db2.gz FXZGEFJPQHRMBF-CYBMUJFWSA-N 3 2 225.380 1.284 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C1(CO)CCCCC1 ZINC000054243964 173009246 /nfs/dbraw/zinc/00/92/46/173009246.db2.gz LMLTXICGTQYCDZ-ZDUSSCGKSA-N 2 2 240.391 1.756 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]C1(CO)CCCCC1 ZINC000054243964 173009247 /nfs/dbraw/zinc/00/92/47/173009247.db2.gz LMLTXICGTQYCDZ-ZDUSSCGKSA-N 2 2 240.391 1.756 10 0 BDAELP C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC000044561698 173010206 /nfs/dbraw/zinc/01/02/06/173010206.db2.gz ABMRURFUQAYMPY-RYUDHWBXSA-N 2 2 212.337 1.097 10 0 BDAELP C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC000044561698 173010207 /nfs/dbraw/zinc/01/02/07/173010207.db2.gz ABMRURFUQAYMPY-RYUDHWBXSA-N 2 2 212.337 1.097 10 0 BDAELP C[N@@H+]1CCC[C@H](CNc2ccc(N)c[nH+]2)C1 ZINC000044535755 173040970 /nfs/dbraw/zinc/04/09/70/173040970.db2.gz JWGKIKRSYVHIJD-SNVBAGLBSA-N 2 2 220.320 1.418 10 0 BDAELP C[N@H+]1CCC[C@H](CNc2ccc(N)c[nH+]2)C1 ZINC000044535755 173040972 /nfs/dbraw/zinc/04/09/72/173040972.db2.gz JWGKIKRSYVHIJD-SNVBAGLBSA-N 2 2 220.320 1.418 10 0 BDAELP C[N@@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000336382976 173195696 /nfs/dbraw/zinc/19/56/96/173195696.db2.gz NBCHMICZINNNSJ-QWHCGFSZSA-N 2 2 240.391 1.610 10 0 BDAELP C[N@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000336382976 173195698 /nfs/dbraw/zinc/19/56/98/173195698.db2.gz NBCHMICZINNNSJ-QWHCGFSZSA-N 2 2 240.391 1.610 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000061319775 173318981 /nfs/dbraw/zinc/31/89/81/173318981.db2.gz JOZUECYQKRSMLD-NWDGAFQWSA-N 2 2 226.364 1.628 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000061319775 173318982 /nfs/dbraw/zinc/31/89/82/173318982.db2.gz JOZUECYQKRSMLD-NWDGAFQWSA-N 2 2 226.364 1.628 10 0 BDAELP C[NH2+]CC1(C[N@@H+]2CCOC[C@H]2C)CCCC1 ZINC000051216729 173338178 /nfs/dbraw/zinc/33/81/78/173338178.db2.gz SFXAVLDOYXWLPE-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]CC1(C[N@H+]2CCOC[C@H]2C)CCCC1 ZINC000051216729 173338179 /nfs/dbraw/zinc/33/81/79/173338179.db2.gz SFXAVLDOYXWLPE-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]CCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000043600295 173342277 /nfs/dbraw/zinc/34/22/77/173342277.db2.gz CDFYVPNHFKEILB-UHFFFAOYSA-N 2 2 244.298 1.420 10 0 BDAELP C[NH2+]CCCn1c(C)[nH+]c2ccccc21 ZINC000042225216 173351479 /nfs/dbraw/zinc/35/14/79/173351479.db2.gz VXSVVIZZOZPLGG-UHFFFAOYSA-N 2 2 203.289 1.954 10 0 BDAELP C[NH2+]CCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000037439185 173351592 /nfs/dbraw/zinc/35/15/92/173351592.db2.gz DRUCSIOOSCXPDY-UHFFFAOYSA-N 2 2 207.252 1.854 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC000077372824 173352653 /nfs/dbraw/zinc/35/26/53/173352653.db2.gz SUCKWTFWWLXFBD-UHFFFAOYSA-N 2 2 236.315 1.109 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC000077372824 173352655 /nfs/dbraw/zinc/35/26/55/173352655.db2.gz SUCKWTFWWLXFBD-UHFFFAOYSA-N 2 2 236.315 1.109 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1cc(C)ccc1C ZINC000077331443 173352750 /nfs/dbraw/zinc/35/27/50/173352750.db2.gz NNBRIJGCVRVWTM-UHFFFAOYSA-N 2 2 220.360 1.997 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1cc(C)ccc1C ZINC000077331443 173352752 /nfs/dbraw/zinc/35/27/52/173352752.db2.gz NNBRIJGCVRVWTM-UHFFFAOYSA-N 2 2 220.360 1.997 10 0 BDAELP C[NH2+]CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050599004 173354800 /nfs/dbraw/zinc/35/48/00/173354800.db2.gz YHMQMJNBJBRKFU-CYBMUJFWSA-N 2 2 204.317 1.695 10 0 BDAELP C[NH2+]CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050599004 173354801 /nfs/dbraw/zinc/35/48/01/173354801.db2.gz YHMQMJNBJBRKFU-CYBMUJFWSA-N 2 2 204.317 1.695 10 0 BDAELP C[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419056 173364873 /nfs/dbraw/zinc/36/48/73/173364873.db2.gz GMGAUUKKGRUTJF-LLVKDONJSA-N 2 2 204.317 1.653 10 0 BDAELP C[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419056 173364874 /nfs/dbraw/zinc/36/48/74/173364874.db2.gz GMGAUUKKGRUTJF-LLVKDONJSA-N 2 2 204.317 1.653 10 0 BDAELP C[NH2+]C[C@@H](c1ccccc1)n1cc[nH+]c1 ZINC000052575542 173366727 /nfs/dbraw/zinc/36/67/27/173366727.db2.gz MHXOALQZQPNYQB-LBPRGKRZSA-N 2 2 201.273 1.692 10 0 BDAELP C[NH2+]Cc1c(C)nn(C)c1-n1c[nH+]c(C)c1C ZINC000051927432 173384307 /nfs/dbraw/zinc/38/43/07/173384307.db2.gz GYOSDYBYCHDMEJ-UHFFFAOYSA-N 2 2 233.319 1.250 10 0 BDAELP C[NH2+]Cc1cc(C[N@@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000052476079 173387054 /nfs/dbraw/zinc/38/70/54/173387054.db2.gz ADBGWDXYYSZWPW-JTQLQIEISA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1cc(C[N@H+]2CCOC[C@@H]2C)c(C)o1 ZINC000052476079 173387055 /nfs/dbraw/zinc/38/70/55/173387055.db2.gz ADBGWDXYYSZWPW-JTQLQIEISA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1ccnc(N(C)Cc2[nH+]ccn2C)c1 ZINC000062324629 173391696 /nfs/dbraw/zinc/39/16/96/173391696.db2.gz KVJBVAXSZGETND-UHFFFAOYSA-N 2 2 245.330 1.171 10 0 BDAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000062029534 174219667 /nfs/dbraw/zinc/21/96/67/174219667.db2.gz UEMXJLIKPUNNBC-AWEZNQCLSA-N 2 2 236.359 1.963 10 0 BDAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000062029534 174219669 /nfs/dbraw/zinc/21/96/69/174219669.db2.gz UEMXJLIKPUNNBC-AWEZNQCLSA-N 2 2 236.359 1.963 10 0 BDAELP COc1cc(OC)cc([C@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000036946819 175011193 /nfs/dbraw/zinc/01/11/93/175011193.db2.gz AJIIMJKSUJQUEN-GFCCVEGCSA-N 2 2 247.298 1.669 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324569763 487629917 /nfs/dbraw/zinc/62/99/17/487629917.db2.gz WFWJHUVCBHXBMB-NEPJUHHUSA-N 2 2 228.380 1.467 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324569763 487629920 /nfs/dbraw/zinc/62/99/20/487629920.db2.gz WFWJHUVCBHXBMB-NEPJUHHUSA-N 2 2 228.380 1.467 10 0 BDAELP COc1ccc2c(c1)[C@H]([NH2+]CC[NH3+])CCO2 ZINC000037713008 175216183 /nfs/dbraw/zinc/21/61/83/175216183.db2.gz DCOULJWERZEDKF-LLVKDONJSA-N 2 2 222.288 1.067 10 0 BDAELP COc1cccc([C@@H]([NH3+])C[NH3+])c1Cl ZINC000044472549 175288612 /nfs/dbraw/zinc/28/86/12/175288612.db2.gz MFRDCIXXMZNTMC-ZETCQYMHSA-N 2 2 200.669 1.307 10 0 BDAELP COc1cccc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000034977378 175289204 /nfs/dbraw/zinc/28/92/04/175289204.db2.gz SSDBHRDKFAXLLC-NSHDSACASA-N 2 2 217.272 1.661 10 0 BDAELP COc1cccc([C@H]([NH3+])Cn2cc[nH+]c2)c1 ZINC000038827605 175294061 /nfs/dbraw/zinc/29/40/61/175294061.db2.gz UWTZXZMMVPLVJV-GFCCVEGCSA-N 2 2 217.272 1.592 10 0 BDAELP COc1ccccc1C[C@@H]([NH3+])C[NH+](C)C ZINC000071511244 175332702 /nfs/dbraw/zinc/33/27/02/175332702.db2.gz AVIDOSCHSPPFLR-LLVKDONJSA-N 2 2 208.305 1.127 10 0 BDAELP C[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000037910653 176109295 /nfs/dbraw/zinc/10/92/95/176109295.db2.gz CKNAXJYUUBZHAQ-PWSUYJOCSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000037910653 176109297 /nfs/dbraw/zinc/10/92/97/176109297.db2.gz CKNAXJYUUBZHAQ-PWSUYJOCSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccnc1 ZINC000071509828 176185456 /nfs/dbraw/zinc/18/54/56/176185456.db2.gz URDDWJLNKJNLBG-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccnc1 ZINC000071509828 176185457 /nfs/dbraw/zinc/18/54/57/176185457.db2.gz URDDWJLNKJNLBG-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000019393631 176302420 /nfs/dbraw/zinc/30/24/20/176302420.db2.gz QNVBGNSKAXPVDU-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])cc2F)CCO1 ZINC000019393631 176302422 /nfs/dbraw/zinc/30/24/22/176302422.db2.gz QNVBGNSKAXPVDU-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]2C[NH2+]CCN12 ZINC000096984029 176305825 /nfs/dbraw/zinc/30/58/25/176305825.db2.gz HTYLDDOZPFLJTE-UKRRQHHQSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]2C[NH2+]CCN12 ZINC000096984029 176305827 /nfs/dbraw/zinc/30/58/27/176305827.db2.gz HTYLDDOZPFLJTE-UKRRQHHQSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@H]1CC([NH2+][C@@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000096033768 177065299 /nfs/dbraw/zinc/06/52/99/177065299.db2.gz SVGGRQLLHSQLCK-GARJFASQSA-N 2 2 212.337 1.236 10 0 BDAELP C[C@H]1CC([NH2+][C@@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000096033768 177065301 /nfs/dbraw/zinc/06/53/01/177065301.db2.gz SVGGRQLLHSQLCK-GARJFASQSA-N 2 2 212.337 1.236 10 0 BDAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000034679217 177085232 /nfs/dbraw/zinc/08/52/32/177085232.db2.gz QDLLPNOWMYSAOP-XQQFMLRXSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCCC[C@@H]2C)CCO1 ZINC000034679217 177085233 /nfs/dbraw/zinc/08/52/33/177085233.db2.gz QDLLPNOWMYSAOP-XQQFMLRXSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000022163739 177103113 /nfs/dbraw/zinc/10/31/13/177103113.db2.gz AXKHZTATTAIURZ-AAEUAGOBSA-N 2 2 219.332 1.813 10 0 BDAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000022163739 177103115 /nfs/dbraw/zinc/10/31/15/177103115.db2.gz AXKHZTATTAIURZ-AAEUAGOBSA-N 2 2 219.332 1.813 10 0 BDAELP C[C@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000043353878 177112238 /nfs/dbraw/zinc/11/22/38/177112238.db2.gz NYRAXXZGKGPGBG-JQWIXIFHSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000043353878 177112240 /nfs/dbraw/zinc/11/22/40/177112240.db2.gz NYRAXXZGKGPGBG-JQWIXIFHSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044390319 177156873 /nfs/dbraw/zinc/15/68/73/177156873.db2.gz JPPBMQGJUGYWCQ-LBPRGKRZSA-N 3 2 225.380 1.155 10 0 BDAELP C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000044390319 177156876 /nfs/dbraw/zinc/15/68/76/177156876.db2.gz JPPBMQGJUGYWCQ-LBPRGKRZSA-N 3 2 225.380 1.155 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cccnc2)CC[NH2+]1 ZINC000049662139 177166018 /nfs/dbraw/zinc/16/60/18/177166018.db2.gz KHUQXEKNTLWPOR-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cccnc2)CC[NH2+]1 ZINC000049662139 177166021 /nfs/dbraw/zinc/16/60/21/177166021.db2.gz KHUQXEKNTLWPOR-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000235615390 177166703 /nfs/dbraw/zinc/16/67/03/177166703.db2.gz SHEOKYHDYYLYJN-JQWIXIFHSA-N 2 2 237.322 1.637 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000235615390 177166705 /nfs/dbraw/zinc/16/67/05/177166705.db2.gz SHEOKYHDYYLYJN-JQWIXIFHSA-N 2 2 237.322 1.637 10 0 BDAELP C[C@H]1C[N@H+](CC2([NH3+])CCCCC2)CCO1 ZINC000020072107 177245017 /nfs/dbraw/zinc/24/50/17/177245017.db2.gz MVOFCXAWLSRNOH-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H]1C[N@@H+](CC2([NH3+])CCCCC2)CCO1 ZINC000020072107 177245019 /nfs/dbraw/zinc/24/50/19/177245019.db2.gz MVOFCXAWLSRNOH-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H]1C[N@H+](CCCOc2ccccc2)C[C@H]1[NH3+] ZINC000300048235 177249021 /nfs/dbraw/zinc/24/90/21/177249021.db2.gz IMHSANBPQMKSOC-GXTWGEPZSA-N 2 2 234.343 1.735 10 0 BDAELP C[C@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1[NH3+] ZINC000300048235 177249022 /nfs/dbraw/zinc/24/90/22/177249022.db2.gz IMHSANBPQMKSOC-GXTWGEPZSA-N 2 2 234.343 1.735 10 0 BDAELP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCS1 ZINC000182751560 177250824 /nfs/dbraw/zinc/25/08/24/177250824.db2.gz JMBVNMCBDGEEEM-NSHDSACASA-N 2 2 225.361 1.711 10 0 BDAELP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCS1 ZINC000182751560 177250826 /nfs/dbraw/zinc/25/08/26/177250826.db2.gz JMBVNMCBDGEEEM-NSHDSACASA-N 2 2 225.361 1.711 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc[nH+]c(N)c1 ZINC000094465225 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C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C[C@@H]1[NH3+] ZINC000235387328 487947656 /nfs/dbraw/zinc/94/76/56/487947656.db2.gz WSKBEZAVJABCJB-AGIUHOORSA-N 2 2 238.375 1.757 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000310461064 488028554 /nfs/dbraw/zinc/02/85/54/488028554.db2.gz FHBPYVWWNPMGEB-MVWJERBFSA-N 2 2 221.304 1.152 10 0 BDAELP Cc1nc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000310461064 488028561 /nfs/dbraw/zinc/02/85/61/488028561.db2.gz FHBPYVWWNPMGEB-MVWJERBFSA-N 2 2 221.304 1.152 10 0 BDAELP CCC[C@@H]([NH3+])c1cn(Cc2[nH+]ccn2CC)nn1 ZINC000229954066 490372068 /nfs/dbraw/zinc/37/20/68/490372068.db2.gz DDWDDLOPNJJCNF-SNVBAGLBSA-N 2 2 248.334 1.343 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000128889338 490594896 /nfs/dbraw/zinc/59/48/96/490594896.db2.gz XDGRUSBUIQJDEY-BZPMIXESSA-N 2 2 238.375 1.770 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C[N@H+]1C1CC1 ZINC000128889338 490594900 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Cc1ccc(N)cc1[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH3+] ZINC000757230022 582563463 /nfs/dbraw/zinc/56/34/63/582563463.db2.gz FTXMMFJZSSNLLZ-WQAKAFBOSA-N 2 2 219.332 1.575 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2ccc(C[NH3+])cc2)[C@H]1[NH3+] ZINC000757213692 586439891 /nfs/dbraw/zinc/43/98/91/586439891.db2.gz LOKYLSVABMXBND-ICCXJUOJSA-N 3 2 219.332 1.143 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]CC[C@@H](C)[C@@H]2[NH3+])cc1 ZINC000757215903 586440779 /nfs/dbraw/zinc/44/07/79/586440779.db2.gz NZWDGFVQESJCOR-IIMNLJJBSA-N 2 2 232.327 1.887 10 0 BDAELP CC(=O)c1cccc([C@H]2CC[C@H]([NH3+])C[NH2+]2)c1 ZINC000757217588 586441787 /nfs/dbraw/zinc/44/17/87/586441787.db2.gz SOSNSPIFZCNQKJ-QWHCGFSZSA-N 2 2 218.300 1.641 10 0 BDAELP C[C@H](C[NH2+]C1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000094087938 635182822 /nfs/dbraw/zinc/18/28/22/635182822.db2.gz CWSRONKJQAOYOQ-IYXRBSQSSA-N 3 2 239.407 1.720 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@@H]1c1cccc(C=O)c1 ZINC000757211090 643371715 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Cc1[nH]c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(C)[nH+]1 ZINC000724786374 711614841 /nfs/dbraw/zinc/61/48/41/711614841.db2.gz RGFCCBZBZFIQHI-GXFFZTMASA-N 2 2 248.374 1.695 10 0 BDAELP Cc1[nH]c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)[nH+]1 ZINC000724786374 711614842 /nfs/dbraw/zinc/61/48/42/711614842.db2.gz RGFCCBZBZFIQHI-GXFFZTMASA-N 2 2 248.374 1.695 10 0 BDAELP C[C@@H]1C[N@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000708852858 712201237 /nfs/dbraw/zinc/20/12/37/712201237.db2.gz CAIBKAPQHIYBOC-SFYZADRCSA-N 2 2 223.147 1.832 10 0 BDAELP C[C@@H]1C[N@@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000708852858 712201239 /nfs/dbraw/zinc/20/12/39/712201239.db2.gz CAIBKAPQHIYBOC-SFYZADRCSA-N 2 2 223.147 1.832 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715425997 712518983 /nfs/dbraw/zinc/51/89/83/712518983.db2.gz KLDDPIBWEADNNC-XQQFMLRXSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715425997 712518984 /nfs/dbraw/zinc/51/89/84/712518984.db2.gz KLDDPIBWEADNNC-XQQFMLRXSA-N 2 2 224.348 1.367 10 0 BDAELP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000720283635 712830434 /nfs/dbraw/zinc/83/04/34/712830434.db2.gz PJAHSLSWUVDVNK-ZCFIWIBFSA-N 2 2 248.195 1.110 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616612018 349468029 /nfs/dbraw/zinc/46/80/29/349468029.db2.gz LWZGGNULFVXMKL-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616612018 349468033 /nfs/dbraw/zinc/46/80/33/349468033.db2.gz LWZGGNULFVXMKL-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1CCO[C@@H](C)C1 ZINC000019519310 168323151 /nfs/dbraw/zinc/32/31/51/168323151.db2.gz YNQKXJUJDALKIU-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1CCO[C@@H](C)C1 ZINC000019519310 168323154 /nfs/dbraw/zinc/32/31/54/168323154.db2.gz YNQKXJUJDALKIU-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+]C2)cc1F ZINC000258765816 349514094 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ZINC000336778983 398246839 /nfs/dbraw/zinc/24/68/39/398246839.db2.gz MWZXCTLPIRUPOF-VOAKCMCISA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000336778983 398246840 /nfs/dbraw/zinc/24/68/40/398246840.db2.gz MWZXCTLPIRUPOF-VOAKCMCISA-N 2 2 226.364 1.077 10 0 BDAELP CCC(CC)[N@H+](CC[NH3+])[C@@H](C)C(=O)NC(C)C ZINC000104318483 168372864 /nfs/dbraw/zinc/37/28/64/168372864.db2.gz SQZUWRLDETYVMA-NSHDSACASA-N 2 2 243.395 1.349 10 0 BDAELP CCC(CC)[N@@H+](CC[NH3+])[C@@H](C)C(=O)NC(C)C ZINC000104318483 168372870 /nfs/dbraw/zinc/37/28/70/168372870.db2.gz SQZUWRLDETYVMA-NSHDSACASA-N 2 2 243.395 1.349 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000381406569 539000062 /nfs/dbraw/zinc/00/00/62/539000062.db2.gz SMOWRADQXYCIQW-XQQFMLRXSA-N 2 2 228.380 1.587 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000381406569 539000063 /nfs/dbraw/zinc/00/00/63/539000063.db2.gz SMOWRADQXYCIQW-XQQFMLRXSA-N 2 2 228.380 1.587 10 0 BDAELP CC[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247016024 343027834 /nfs/dbraw/zinc/02/78/34/343027834.db2.gz JAEGODIHOIBTAR-STQMWFEESA-N 2 2 240.391 1.970 10 0 BDAELP CC[C@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000247016024 343027837 /nfs/dbraw/zinc/02/78/37/343027837.db2.gz JAEGODIHOIBTAR-STQMWFEESA-N 2 2 240.391 1.970 10 0 BDAELP COc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000045946291 343013134 /nfs/dbraw/zinc/01/31/34/343013134.db2.gz WLJJZAQSIPXAPQ-UHFFFAOYSA-N 2 2 231.299 1.751 10 0 BDAELP COc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000045946291 343013135 /nfs/dbraw/zinc/01/31/35/343013135.db2.gz WLJJZAQSIPXAPQ-UHFFFAOYSA-N 2 2 231.299 1.751 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000384136888 343053155 /nfs/dbraw/zinc/05/31/55/343053155.db2.gz LSDAVBXJRZTJPQ-GHMZBOCLSA-N 2 2 233.315 1.278 10 0 BDAELP CCOc1cc([C@@H]([NH3+])C[NH3+])ccc1OC ZINC000072200758 343069753 /nfs/dbraw/zinc/06/97/53/343069753.db2.gz VWBTZDSUUWFGCW-VIFPVBQESA-N 2 2 210.277 1.052 10 0 BDAELP CCNc1cc(N2CCCC[C@H]2C[NH3+])nc[nH+]1 ZINC000258698162 343126917 /nfs/dbraw/zinc/12/69/17/343126917.db2.gz KGEWZLLTBBKJPF-JTQLQIEISA-N 2 2 235.335 1.226 10 0 BDAELP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1C[Si](C)(C)C ZINC000401789866 343241544 /nfs/dbraw/zinc/24/15/44/343241544.db2.gz HSTDCYKXQIAYHB-ZJUUUORDSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1C[Si](C)(C)C ZINC000401789866 343241546 /nfs/dbraw/zinc/24/15/46/343241546.db2.gz HSTDCYKXQIAYHB-ZJUUUORDSA-N 2 2 200.402 1.675 10 0 BDAELP Cc1nc(N[C@H](C[NH3+])CC(C)C)cc[nH+]1 ZINC000082593020 343450042 /nfs/dbraw/zinc/45/00/42/343450042.db2.gz IKLYZZTUWUJTTE-JTQLQIEISA-N 2 2 208.309 1.570 10 0 BDAELP [NH3+]CC[N@@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429595 343806228 /nfs/dbraw/zinc/80/62/28/343806228.db2.gz OTQJLZQOJWJNRS-DTWKUNHWSA-N 2 2 204.264 1.312 10 0 BDAELP [NH3+]CC[N@H+]1C[C@@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429595 343806231 /nfs/dbraw/zinc/80/62/31/343806231.db2.gz OTQJLZQOJWJNRS-DTWKUNHWSA-N 2 2 204.264 1.312 10 0 BDAELP [NH3+]C[C@H]1CCCn2c3c([nH+]c21)CCCC3 ZINC000409440483 343852438 /nfs/dbraw/zinc/85/24/38/343852438.db2.gz LGYIBSMOPPOWFC-SECBINFHSA-N 2 2 205.305 1.598 10 0 BDAELP CC(C)=C[C@@H]([NH3+])[C@@H]1CSCC[N@H+]1C ZINC000234359326 343947855 /nfs/dbraw/zinc/94/78/55/343947855.db2.gz LPBWCXJZKIVLCD-ZJUUUORDSA-N 2 2 200.351 1.327 10 0 BDAELP CC(C)=C[C@@H]([NH3+])[C@@H]1CSCC[N@@H+]1C ZINC000234359326 343947856 /nfs/dbraw/zinc/94/78/56/343947856.db2.gz LPBWCXJZKIVLCD-ZJUUUORDSA-N 2 2 200.351 1.327 10 0 BDAELP C[NH2+][C@@H](C=C(C)C)[C@@H]1CSCC[N@@H+]1C ZINC000234428067 343965885 /nfs/dbraw/zinc/96/58/85/343965885.db2.gz FTVLXXIBOGQCBL-QWRGUYRKSA-N 2 2 214.378 1.588 10 0 BDAELP C[NH2+][C@@H](C=C(C)C)[C@@H]1CSCC[N@H+]1C ZINC000234428067 343965887 /nfs/dbraw/zinc/96/58/87/343965887.db2.gz FTVLXXIBOGQCBL-QWRGUYRKSA-N 2 2 214.378 1.588 10 0 BDAELP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641304771 362353582 /nfs/dbraw/zinc/35/35/82/362353582.db2.gz UQPRJOWXEHOCFG-SNVBAGLBSA-N 2 2 223.295 1.539 10 0 BDAELP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2F)C1 ZINC000641304771 362353589 /nfs/dbraw/zinc/35/35/89/362353589.db2.gz UQPRJOWXEHOCFG-SNVBAGLBSA-N 2 2 223.295 1.539 10 0 BDAELP C[C@H]([C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000381507379 344514968 /nfs/dbraw/zinc/51/49/68/344514968.db2.gz LUIUTGUOUSKTQM-QWHCGFSZSA-N 2 2 233.359 1.544 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1c(Cl)cncc1Cl ZINC000044472409 345090854 /nfs/dbraw/zinc/09/08/54/345090854.db2.gz UMTLLUASPZQOSO-LURJTMIESA-N 2 2 206.076 1.347 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998460 345198588 /nfs/dbraw/zinc/19/85/88/345198588.db2.gz FZBFDZLBJQDTSG-ZJUUUORDSA-N 2 2 239.388 1.732 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998460 345198590 /nfs/dbraw/zinc/19/85/90/345198590.db2.gz FZBFDZLBJQDTSG-ZJUUUORDSA-N 2 2 239.388 1.732 10 0 BDAELP Cc1cc(CC2=C[C@@H]([NH3+])C[NH2+]C2)cs1 ZINC000675077955 537895572 /nfs/dbraw/zinc/89/55/72/537895572.db2.gz KTRFTBKPIMPREJ-LLVKDONJSA-N 2 2 208.330 1.456 10 0 BDAELP CC[C@@H](C)Nc1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000258904104 345787238 /nfs/dbraw/zinc/78/72/38/345787238.db2.gz GSUBJWREUDDHGW-SNVBAGLBSA-N 2 2 235.335 1.097 10 0 BDAELP Cc1cccc(C)c1C[NH2+]CC[NH+](C)C ZINC000083344894 179037014 /nfs/dbraw/zinc/03/70/14/179037014.db2.gz TVTAYKAQASPHTM-UHFFFAOYSA-N 2 2 206.333 1.955 10 0 BDAELP CC(C)[NH+](C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1)C(C)C ZINC000669378800 537970322 /nfs/dbraw/zinc/97/03/22/537970322.db2.gz NVXJHVFTSYWIDC-STQMWFEESA-N 3 2 227.396 1.290 10 0 BDAELP [NH3+]Cc1cc(C[NH+]2CCC2)c(F)cc1F ZINC000669379854 537982428 /nfs/dbraw/zinc/98/24/28/537982428.db2.gz LANNNUJPNWVZBQ-UHFFFAOYSA-N 2 2 212.243 1.629 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@H](C[NH3+])[C@H]1CCCO1 ZINC000250237996 362797092 /nfs/dbraw/zinc/79/70/92/362797092.db2.gz PFQYGIUWCFMNRW-ZIAGYGMSSA-N 2 2 234.343 1.625 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH3+])[C@H]1CCCO1 ZINC000250237996 362797098 /nfs/dbraw/zinc/79/70/98/362797098.db2.gz PFQYGIUWCFMNRW-ZIAGYGMSSA-N 2 2 234.343 1.625 10 0 BDAELP Cc1ccccc1OCC[C@@H](C[NH3+])[NH+](C)C ZINC000019663661 179312008 /nfs/dbraw/zinc/31/20/08/179312008.db2.gz LKRKPXJACSEERN-LBPRGKRZSA-N 2 2 222.332 1.653 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@H](CO)C1 ZINC000043035579 179342296 /nfs/dbraw/zinc/34/22/96/179342296.db2.gz HWSQMSHURGJQJX-ZFWWWQNUSA-N 2 2 248.370 1.699 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@H](CO)C1 ZINC000043035579 179342298 /nfs/dbraw/zinc/34/22/98/179342298.db2.gz HWSQMSHURGJQJX-ZFWWWQNUSA-N 2 2 248.370 1.699 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000394977354 323184923 /nfs/dbraw/zinc/18/49/23/323184923.db2.gz CKCGTNFQLJXXSW-NOOOWODRSA-N 2 2 212.337 1.236 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000394977354 323184924 /nfs/dbraw/zinc/18/49/24/323184924.db2.gz CKCGTNFQLJXXSW-NOOOWODRSA-N 2 2 212.337 1.236 10 0 BDAELP C[C@@H]1CCC[C@H](C)[N@H+]1CC1=[NH+]CCCN1 ZINC000669384917 538017968 /nfs/dbraw/zinc/01/79/68/538017968.db2.gz NGRNDOQKKYLVEN-PHIMTYICSA-N 2 2 209.337 1.641 10 0 BDAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CC1=[NH+]CCCN1 ZINC000669384917 538017976 /nfs/dbraw/zinc/01/79/76/538017976.db2.gz NGRNDOQKKYLVEN-PHIMTYICSA-N 2 2 209.337 1.641 10 0 BDAELP Cc1nc(NCCC[NH3+])c2c([nH+]1)CCCC2 ZINC000212407725 349328806 /nfs/dbraw/zinc/32/88/06/349328806.db2.gz MMVCQTRJODPXPL-UHFFFAOYSA-N 2 2 220.320 1.425 10 0 BDAELP Cc1[nH+]c2ccccc2n1C[C@@H](C)C[NH3+] ZINC000036677787 180104619 /nfs/dbraw/zinc/10/46/19/180104619.db2.gz WKURPJVRQINEER-VIFPVBQESA-N 2 2 203.289 1.940 10 0 BDAELP Cc1csc2nc(C)c(C[NH2+]CC[NH3+])n12 ZINC000037712880 180117607 /nfs/dbraw/zinc/11/76/07/180117607.db2.gz FSDKYOJOYSHERR-UHFFFAOYSA-N 2 2 224.333 1.061 10 0 BDAELP Cc1nc(N[C@@H](C)C[NH+]2CCCC2)cc[nH+]1 ZINC000054936197 180202823 /nfs/dbraw/zinc/20/28/23/180202823.db2.gz IPORVRXZHCKWNZ-JTQLQIEISA-N 2 2 220.320 1.681 10 0 BDAELP Cc1[nH+]cccc1N[C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134071970 180227954 /nfs/dbraw/zinc/22/79/54/180227954.db2.gz NPCYWGWTFXMNLW-ZYHUDNBSSA-N 2 2 235.331 1.569 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070975622 180253152 /nfs/dbraw/zinc/25/31/52/180253152.db2.gz KFIJYSYAKROCHY-CYBMUJFWSA-N 3 2 236.363 1.395 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070975622 180253154 /nfs/dbraw/zinc/25/31/54/180253154.db2.gz KFIJYSYAKROCHY-CYBMUJFWSA-N 3 2 236.363 1.395 10 0 BDAELP Cc1[nH+]cnc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000045954933 180291761 /nfs/dbraw/zinc/29/17/61/180291761.db2.gz HXJIWEVNNUXMTK-LLVKDONJSA-N 2 2 220.320 1.505 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324624428 350308154 /nfs/dbraw/zinc/30/81/54/350308154.db2.gz QPCPTKCTTZFZPE-QWRGUYRKSA-N 2 2 214.353 1.077 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324624428 350308157 /nfs/dbraw/zinc/30/81/57/350308157.db2.gz QPCPTKCTTZFZPE-QWRGUYRKSA-N 2 2 214.353 1.077 10 0 BDAELP Cc1[nH+]cn(-c2ccccc2C[NH3+])c1C ZINC000051925516 180284791 /nfs/dbraw/zinc/28/47/91/180284791.db2.gz GTLLBRBNVWMQRO-UHFFFAOYSA-N 2 2 201.273 1.948 10 0 BDAELP Nc1[nH+]cccc1[C@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616600778 350780653 /nfs/dbraw/zinc/78/06/53/350780653.db2.gz LYNNGZRTCRLHQZ-NSHDSACASA-N 3 2 234.347 1.192 10 0 BDAELP Nc1[nH+]cccc1[C@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616600778 350780658 /nfs/dbraw/zinc/78/06/58/350780658.db2.gz LYNNGZRTCRLHQZ-NSHDSACASA-N 3 2 234.347 1.192 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000616601348 350782663 /nfs/dbraw/zinc/78/26/63/350782663.db2.gz QGQMRJVLRFMUAR-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000616601348 350782665 /nfs/dbraw/zinc/78/26/65/350782665.db2.gz QGQMRJVLRFMUAR-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616603807 350795690 /nfs/dbraw/zinc/79/56/90/350795690.db2.gz IMLBJICTKZSMSH-QMMMGPOBSA-N 2 2 210.243 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616603807 350795694 /nfs/dbraw/zinc/79/56/94/350795694.db2.gz IMLBJICTKZSMSH-QMMMGPOBSA-N 2 2 210.243 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc(CCO)cc1 ZINC000616608333 350804282 /nfs/dbraw/zinc/80/42/82/350804282.db2.gz QKFYLNCCEJUOET-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc(CCO)cc1 ZINC000616608333 350804285 /nfs/dbraw/zinc/80/42/85/350804285.db2.gz QKFYLNCCEJUOET-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc(CCO)c1 ZINC000616608530 350804470 /nfs/dbraw/zinc/80/44/70/350804470.db2.gz VACOLYOCBIIQDO-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc(CCO)c1 ZINC000616608530 350804471 /nfs/dbraw/zinc/80/44/71/350804471.db2.gz VACOLYOCBIIQDO-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000616619140 350926503 /nfs/dbraw/zinc/92/65/03/350926503.db2.gz GCHGOSZLZWBTRH-UHFFFAOYSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[NH+]1CCC(c2ccccc2CCO)CC1 ZINC000616620364 350939121 /nfs/dbraw/zinc/93/91/21/350939121.db2.gz XOLDDMUOCWSCOR-UHFFFAOYSA-N 2 2 248.370 1.360 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cncs2)CCC[NH2+]1 ZINC000159806379 351003475 /nfs/dbraw/zinc/00/34/75/351003475.db2.gz JKEJDCQWRWGRON-SECBINFHSA-N 2 2 211.334 1.327 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cncs2)CCC[NH2+]1 ZINC000159806379 351003477 /nfs/dbraw/zinc/00/34/77/351003477.db2.gz JKEJDCQWRWGRON-SECBINFHSA-N 2 2 211.334 1.327 10 0 BDAELP C[C@H]1C[N@H+](Cc2cncs2)CCC[NH2+]1 ZINC000159806502 351004054 /nfs/dbraw/zinc/00/40/54/351004054.db2.gz JKEJDCQWRWGRON-VIFPVBQESA-N 2 2 211.334 1.327 10 0 BDAELP C[C@H]1C[N@@H+](Cc2cncs2)CCC[NH2+]1 ZINC000159806502 351004057 /nfs/dbraw/zinc/00/40/57/351004057.db2.gz JKEJDCQWRWGRON-VIFPVBQESA-N 2 2 211.334 1.327 10 0 BDAELP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616663609 351216353 /nfs/dbraw/zinc/21/63/53/351216353.db2.gz UPSDNISMEHZCKC-CYBMUJFWSA-N 2 2 220.316 1.454 10 0 BDAELP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CCO1 ZINC000616663609 351216354 /nfs/dbraw/zinc/21/63/54/351216354.db2.gz UPSDNISMEHZCKC-CYBMUJFWSA-N 2 2 220.316 1.454 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH+]1CCSCC1 ZINC000307009516 351416640 /nfs/dbraw/zinc/41/66/40/351416640.db2.gz INBUYJAGTQWDOS-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]([C@@H]1CCC[NH2+]1)[NH+]1CCSCC1 ZINC000307188247 351590766 /nfs/dbraw/zinc/59/07/66/351590766.db2.gz WSBGCKYJXZLIOP-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC000307233606 351702519 /nfs/dbraw/zinc/70/25/19/351702519.db2.gz FBBLVOFUQWHXCO-SECBINFHSA-N 2 2 204.264 1.455 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000307233606 351702522 /nfs/dbraw/zinc/70/25/22/351702522.db2.gz FBBLVOFUQWHXCO-SECBINFHSA-N 2 2 204.264 1.455 10 0 BDAELP C[C@@H]1CC[C@]2(C[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000307240255 351733288 /nfs/dbraw/zinc/73/32/88/351733288.db2.gz GVSAPYQNFPJWHO-SCZZXKLOSA-N 2 2 200.351 1.570 10 0 BDAELP CC1(C)SC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000307326652 352019608 /nfs/dbraw/zinc/01/96/08/352019608.db2.gz JEDWYOPFOKEMOD-DTWKUNHWSA-N 2 2 200.351 1.222 10 0 BDAELP C[C@@]1([NH3+])CC=C(c2cccc(N)[nH+]2)CC1 ZINC000725272838 538104655 /nfs/dbraw/zinc/10/46/55/538104655.db2.gz SQORDPRDKPUMRZ-GFCCVEGCSA-N 2 2 203.289 1.949 10 0 BDAELP CC1(C)C[NH+]([C@]2(C[NH3+])CCSC2)C1 ZINC000307405157 352580746 /nfs/dbraw/zinc/58/07/46/352580746.db2.gz JQRYYNQODLFHDO-JTQLQIEISA-N 2 2 200.351 1.163 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000229284095 352750177 /nfs/dbraw/zinc/75/01/77/352750177.db2.gz TZWBFSPSGAFMNE-LLVKDONJSA-N 2 2 214.378 1.423 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000229284095 352750180 /nfs/dbraw/zinc/75/01/80/352750180.db2.gz TZWBFSPSGAFMNE-LLVKDONJSA-N 2 2 214.378 1.423 10 0 BDAELP C1C[NH+]([C@H]2CCCC[NH2+]C2)CCS1 ZINC000054134951 188300500 /nfs/dbraw/zinc/30/05/00/188300500.db2.gz QAMUMIOJNUBLPI-JTQLQIEISA-N 2 2 200.351 1.177 10 0 BDAELP Cc1ccc(C[NH2+]CC2([NH3+])CCCC2)o1 ZINC000053040646 188300616 /nfs/dbraw/zinc/30/06/16/188300616.db2.gz PKIXZXPUJRSZFZ-UHFFFAOYSA-N 2 2 208.305 1.949 10 0 BDAELP CC(C)C[C@H](C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062249111 188302934 /nfs/dbraw/zinc/30/29/34/188302934.db2.gz WRJIMVBLYTUHPL-LLVKDONJSA-N 2 2 222.336 1.072 10 0 BDAELP Nc1ccc(SC[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000043495569 188324944 /nfs/dbraw/zinc/32/49/44/188324944.db2.gz KXEISQBICHVVDI-SECBINFHSA-N 2 2 223.345 1.898 10 0 BDAELP Nc1ccc(SCC2CC[NH2+]CC2)c[nH+]1 ZINC000043498301 188325164 /nfs/dbraw/zinc/32/51/64/188325164.db2.gz UMWBZUOVPRULSY-UHFFFAOYSA-N 2 2 223.345 1.756 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CCCOC1 ZINC000111319924 188354514 /nfs/dbraw/zinc/35/45/14/188354514.db2.gz OOCFORYOATYXKD-ZIAGYGMSSA-N 2 2 242.407 1.979 10 0 BDAELP CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@H]1[NH3+] ZINC000398984929 353420860 /nfs/dbraw/zinc/42/08/60/353420860.db2.gz HPFXUYVBZSXGHM-DGCLKSJQSA-N 2 2 244.342 1.825 10 0 BDAELP CC1(C)C[N@@H+]([C@@H]2CC[NH2+]C2)CCS1 ZINC000160220198 353739237 /nfs/dbraw/zinc/73/92/37/353739237.db2.gz CRKQXCSTIVBHTD-SECBINFHSA-N 2 2 200.351 1.176 10 0 BDAELP CC1(C)C[N@H+]([C@@H]2CC[NH2+]C2)CCS1 ZINC000160220198 353739239 /nfs/dbraw/zinc/73/92/39/353739239.db2.gz CRKQXCSTIVBHTD-SECBINFHSA-N 2 2 200.351 1.176 10 0 BDAELP c1ccc2c(c1)OC[C@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335222518 355063427 /nfs/dbraw/zinc/06/34/27/355063427.db2.gz HACUTPUBSIVZHW-GHMZBOCLSA-N 2 2 218.300 1.114 10 0 BDAELP NC(=[NH2+])c1cccc(Cc2c[nH]c[nH+]2)c1 ZINC000026384485 181195835 /nfs/dbraw/zinc/19/58/35/181195835.db2.gz BJASTQMHYFCWIE-UHFFFAOYSA-N 2 2 200.245 1.285 10 0 BDAELP NC(=[NH2+])c1cccc(Cc2c[nH+]c[nH]2)c1 ZINC000026384485 181195837 /nfs/dbraw/zinc/19/58/37/181195837.db2.gz BJASTQMHYFCWIE-UHFFFAOYSA-N 2 2 200.245 1.285 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000389117270 355693740 /nfs/dbraw/zinc/69/37/40/355693740.db2.gz BLRVBKSXYXYJDO-PWSUYJOCSA-N 2 2 236.363 1.473 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)C1 ZINC000389117270 355693741 /nfs/dbraw/zinc/69/37/41/355693741.db2.gz BLRVBKSXYXYJDO-PWSUYJOCSA-N 2 2 236.363 1.473 10 0 BDAELP CCc1cc(N[C@H]2CC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000389215372 355884184 /nfs/dbraw/zinc/88/41/84/355884184.db2.gz CRJCVDWDSRBPEK-LBPRGKRZSA-N 2 2 234.347 1.854 10 0 BDAELP CCc1cc(N[C@H]2CC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000389215372 355884189 /nfs/dbraw/zinc/88/41/89/355884189.db2.gz CRJCVDWDSRBPEK-LBPRGKRZSA-N 2 2 234.347 1.854 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000328530504 356459328 /nfs/dbraw/zinc/45/93/28/356459328.db2.gz XEQBOOSXCLDOMK-TUAOUCFPSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000328530504 356459332 /nfs/dbraw/zinc/45/93/32/356459332.db2.gz XEQBOOSXCLDOMK-TUAOUCFPSA-N 2 2 212.337 1.095 10 0 BDAELP COc1cccc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 ZINC000675078344 538514953 /nfs/dbraw/zinc/51/49/53/538514953.db2.gz OUYPWDTUGWNTFT-NSHDSACASA-N 2 2 204.273 1.009 10 0 BDAELP [NH3+][C@H]1C=C(c2ccc(F)c(Cl)c2)C[NH2+]C1 ZINC000675079086 538517422 /nfs/dbraw/zinc/51/74/22/538517422.db2.gz VSRMRWCNXZDPIV-VIFPVBQESA-N 2 2 226.682 1.793 10 0 BDAELP Cc1cc(C2=C[C@H]([NH3+])C[NH2+]C2)ccc1F ZINC000675079286 538517742 /nfs/dbraw/zinc/51/77/42/538517742.db2.gz XLWIGDOWNVNISG-NSHDSACASA-N 2 2 206.264 1.448 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)[C@@H]1CCOC1 ZINC000389515647 356889359 /nfs/dbraw/zinc/88/93/59/356889359.db2.gz FYEGWIZDWLBBLA-UPJWGTAASA-N 2 2 226.364 1.485 10 0 BDAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCOC1 ZINC000389515647 356889363 /nfs/dbraw/zinc/88/93/63/356889363.db2.gz FYEGWIZDWLBBLA-UPJWGTAASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000389517752 356901650 /nfs/dbraw/zinc/90/16/50/356901650.db2.gz GIKZFHYHQPTRSN-RVMXOQNASA-N 2 2 238.375 1.484 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000389517752 356901652 /nfs/dbraw/zinc/90/16/52/356901652.db2.gz GIKZFHYHQPTRSN-RVMXOQNASA-N 2 2 238.375 1.484 10 0 BDAELP C[C@H]1SCC[N@@H+](C2(C[NH3+])CC2)[C@H]1C ZINC000300062602 357182640 /nfs/dbraw/zinc/18/26/40/357182640.db2.gz NGRUAXCRKSMJOL-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1SCC[N@H+](C2(C[NH3+])CC2)[C@H]1C ZINC000300062602 357182643 /nfs/dbraw/zinc/18/26/43/357182643.db2.gz NGRUAXCRKSMJOL-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)C(C)(C)C ZINC000397547178 357590411 /nfs/dbraw/zinc/59/04/11/357590411.db2.gz VMHAYDCMPRXXQX-ZDUSSCGKSA-N 2 2 236.359 1.929 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948407 538890939 /nfs/dbraw/zinc/89/09/39/538890939.db2.gz MPFYRNVGFNRMJT-OUAUKWLOSA-N 2 2 200.301 1.418 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948407 538890940 /nfs/dbraw/zinc/89/09/40/538890940.db2.gz MPFYRNVGFNRMJT-OUAUKWLOSA-N 2 2 200.301 1.418 10 0 BDAELP CC(C)[NH+](C(C)C)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948682 538891031 /nfs/dbraw/zinc/89/10/31/538891031.db2.gz TVDTXPOWZOBRGI-WDEREUQCSA-N 2 2 202.317 1.805 10 0 BDAELP CCC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000190190615 357690609 /nfs/dbraw/zinc/69/06/09/357690609.db2.gz XGEUAWWDGBMXML-UHFFFAOYSA-N 2 2 238.375 1.916 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938959 357945937 /nfs/dbraw/zinc/94/59/37/357945937.db2.gz SGDGUDVODOSPIE-ZYHUDNBSSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC000639938959 357945938 /nfs/dbraw/zinc/94/59/38/357945938.db2.gz SGDGUDVODOSPIE-ZYHUDNBSSA-N 2 2 223.320 1.037 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000160300369 357972379 /nfs/dbraw/zinc/97/23/79/357972379.db2.gz CJZKVVQLDQRXLX-NXEZZACHSA-N 2 2 221.304 1.264 10 0 BDAELP C(C[NH+]1CCCC1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000132276655 358714835 /nfs/dbraw/zinc/71/48/35/358714835.db2.gz FSBBBJJARNSQRQ-CQSZACIVSA-N 2 2 238.375 1.583 10 0 BDAELP C(C[NH+]1CCCC1)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000132276655 358714836 /nfs/dbraw/zinc/71/48/36/358714836.db2.gz FSBBBJJARNSQRQ-CQSZACIVSA-N 2 2 238.375 1.583 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3ncnc32)CC[N@@H+]1C ZINC000246992368 359181836 /nfs/dbraw/zinc/18/18/36/359181836.db2.gz JKZCVQMKDAQTMS-WOPDTQHZSA-N 2 2 249.362 1.185 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCn3ncnc32)CC[N@H+]1C ZINC000246992368 359181840 /nfs/dbraw/zinc/18/18/40/359181840.db2.gz JKZCVQMKDAQTMS-WOPDTQHZSA-N 2 2 249.362 1.185 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000306402120 359784476 /nfs/dbraw/zinc/78/44/76/359784476.db2.gz DHVNHEYXIXLLNA-DCAQKATOSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000306402120 359784479 /nfs/dbraw/zinc/78/44/79/359784479.db2.gz DHVNHEYXIXLLNA-DCAQKATOSA-N 2 2 200.326 1.079 10 0 BDAELP CS[C@@H]1CCC[N@@H+](C2(C[NH3+])CSC2)C1 ZINC000306580994 360479194 /nfs/dbraw/zinc/47/91/94/360479194.db2.gz OHOBJUDIOXGZIQ-SECBINFHSA-N 2 2 232.418 1.258 10 0 BDAELP CS[C@@H]1CCC[N@H+](C2(C[NH3+])CSC2)C1 ZINC000306580994 360479197 /nfs/dbraw/zinc/47/91/97/360479197.db2.gz OHOBJUDIOXGZIQ-SECBINFHSA-N 2 2 232.418 1.258 10 0 BDAELP C[C@@H]1C[NH+]([C@@H]2CC[NH2+]C2)C[C@@H](C)S1 ZINC000069908587 361014033 /nfs/dbraw/zinc/01/40/33/361014033.db2.gz PAAGCDLZAIHLQW-OPRDCNLKSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]([C@H]1C[NH2+]CCO1)[N@H+](C)C(C)(C)C ZINC000306638411 361586320 /nfs/dbraw/zinc/58/63/20/361586320.db2.gz BZXCDJWTMPTCOO-VHSXEESVSA-N 2 2 200.326 1.094 10 0 BDAELP C[C@@H]([C@H]1C[NH2+]CCO1)[N@@H+](C)C(C)(C)C ZINC000306638411 361586324 /nfs/dbraw/zinc/58/63/24/361586324.db2.gz BZXCDJWTMPTCOO-VHSXEESVSA-N 2 2 200.326 1.094 10 0 BDAELP C[C@H]1CSCC[N@@H+]1C[C@]1(C)CCC[NH2+]1 ZINC000070619992 361642955 /nfs/dbraw/zinc/64/29/55/361642955.db2.gz AHRFEUPPIRJADD-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1CSCC[N@H+]1C[C@]1(C)CCC[NH2+]1 ZINC000070619992 361642960 /nfs/dbraw/zinc/64/29/60/361642960.db2.gz AHRFEUPPIRJADD-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP [NH3+]C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000036754401 181344695 /nfs/dbraw/zinc/34/46/95/181344695.db2.gz YDVFBVTYOJECMP-GFCCVEGCSA-N 2 2 248.326 1.250 10 0 BDAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000054601905 181345016 /nfs/dbraw/zinc/34/50/16/181345016.db2.gz AQTIBNXRNOCTTQ-AGUYFDCRSA-N 3 2 248.374 1.617 10 0 BDAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000054601905 181345019 /nfs/dbraw/zinc/34/50/19/181345019.db2.gz AQTIBNXRNOCTTQ-AGUYFDCRSA-N 3 2 248.374 1.617 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cccnc2C)[C@](C)(C[NH3+])C1 ZINC000630368888 364086468 /nfs/dbraw/zinc/08/64/68/364086468.db2.gz UAPVRRMIWIYOFU-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cccnc2C)[C@](C)(C[NH3+])C1 ZINC000630368888 364086470 /nfs/dbraw/zinc/08/64/70/364086470.db2.gz UAPVRRMIWIYOFU-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP COc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cc1 ZINC000675078266 541390211 /nfs/dbraw/zinc/39/02/11/541390211.db2.gz OGSGPKLJLWIGJO-LLVKDONJSA-N 2 2 204.273 1.009 10 0 BDAELP COc1nsc(C2=C[C@H]([NH3+])C[NH2+]C2)c1Cl ZINC000675078564 541390755 /nfs/dbraw/zinc/39/07/55/541390755.db2.gz QSSGGLYHGCSSMH-LURJTMIESA-N 2 2 245.735 1.119 10 0 BDAELP COc1ccc2[nH]c(C[C@@H](C)[NH3+])[nH+]c2c1 ZINC000083187338 541451253 /nfs/dbraw/zinc/45/12/53/541451253.db2.gz TXRFXVOQKFYPSR-SSDOTTSWSA-N 2 2 205.261 1.461 10 0 BDAELP [NH3+]CCC[C@@H]1CCCN1c1cccc[nH+]1 ZINC000082594034 181385696 /nfs/dbraw/zinc/38/56/96/181385696.db2.gz DQNVGBSPCZRQQF-LLVKDONJSA-N 2 2 205.305 1.789 10 0 BDAELP [NH3+]CCNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000082741443 181398353 /nfs/dbraw/zinc/39/83/53/181398353.db2.gz XRDFBTYOTNVDFX-UHFFFAOYSA-N 2 2 210.668 1.587 10 0 BDAELP [NH3+]CCNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000082741443 181398356 /nfs/dbraw/zinc/39/83/56/181398356.db2.gz XRDFBTYOTNVDFX-UHFFFAOYSA-N 2 2 210.668 1.587 10 0 BDAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005728 367231287 /nfs/dbraw/zinc/23/12/87/367231287.db2.gz DWBFIUFFKWRDOI-AGIUHOORSA-N 3 2 239.407 1.447 10 0 BDAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005728 367231291 /nfs/dbraw/zinc/23/12/91/367231291.db2.gz DWBFIUFFKWRDOI-AGIUHOORSA-N 3 2 239.407 1.447 10 0 BDAELP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005730 367231540 /nfs/dbraw/zinc/23/15/40/367231540.db2.gz DWBFIUFFKWRDOI-FRRDWIJNSA-N 3 2 239.407 1.447 10 0 BDAELP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005730 367231547 /nfs/dbraw/zinc/23/15/47/367231547.db2.gz DWBFIUFFKWRDOI-FRRDWIJNSA-N 3 2 239.407 1.447 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000380758786 367299040 /nfs/dbraw/zinc/29/90/40/367299040.db2.gz VRFWMHBJEQRHDB-CHWSQXEVSA-N 3 2 227.396 1.447 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000380758786 367299042 /nfs/dbraw/zinc/29/90/42/367299042.db2.gz VRFWMHBJEQRHDB-CHWSQXEVSA-N 3 2 227.396 1.447 10 0 BDAELP CCn1ccnc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000383680164 367648823 /nfs/dbraw/zinc/64/88/23/367648823.db2.gz ONZNRUFCONTDNJ-SRVKXCTJSA-N 2 2 234.347 1.072 10 0 BDAELP CCn1ccnc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000383680164 367648827 /nfs/dbraw/zinc/64/88/27/367648827.db2.gz ONZNRUFCONTDNJ-SRVKXCTJSA-N 2 2 234.347 1.072 10 0 BDAELP Cc1cnccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000384913336 367755667 /nfs/dbraw/zinc/75/56/67/367755667.db2.gz CJRLCKREGFNXIA-LBPRGKRZSA-N 2 2 205.305 1.313 10 0 BDAELP Cc1cnccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000384913336 367755672 /nfs/dbraw/zinc/75/56/72/367755672.db2.gz CJRLCKREGFNXIA-LBPRGKRZSA-N 2 2 205.305 1.313 10 0 BDAELP [NH3+]CCN1c2ccccc2NC[C@@H]1c1[nH]cc[nH+]1 ZINC000616690668 369113623 /nfs/dbraw/zinc/11/36/23/369113623.db2.gz BSCWCJHUXDMJKZ-GFCCVEGCSA-N 2 2 243.314 1.342 10 0 BDAELP [NH3+]CCN1c2ccccc2NC[C@@H]1c1c[nH+]c[nH]1 ZINC000616690641 369113853 /nfs/dbraw/zinc/11/38/53/369113853.db2.gz AKPSVEGZGHULDU-CYBMUJFWSA-N 2 2 243.314 1.342 10 0 BDAELP [NH3+]CCN1c2ccccc2NC[C@@H]1c1c[nH]c[nH+]1 ZINC000616690641 369113856 /nfs/dbraw/zinc/11/38/56/369113856.db2.gz AKPSVEGZGHULDU-CYBMUJFWSA-N 2 2 243.314 1.342 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(Cl)cc1F ZINC000162992109 371905107 /nfs/dbraw/zinc/90/51/07/371905107.db2.gz FXELIDRMRFZFIK-VIFPVBQESA-N 2 2 202.660 1.698 10 0 BDAELP CC(C)n1ccnc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838784 372634028 /nfs/dbraw/zinc/63/40/28/372634028.db2.gz VAUWYSWWOGAPOS-RYUDHWBXSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccnc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631838784 372634032 /nfs/dbraw/zinc/63/40/32/372634032.db2.gz VAUWYSWWOGAPOS-RYUDHWBXSA-N 2 2 236.363 1.491 10 0 BDAELP Cc1cnc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838845 372634747 /nfs/dbraw/zinc/63/47/47/372634747.db2.gz WCNDVOCWRVKTLT-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838845 372634750 /nfs/dbraw/zinc/63/47/50/372634750.db2.gz WCNDVOCWRVKTLT-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631860781 372659170 /nfs/dbraw/zinc/65/91/70/372659170.db2.gz OYMAQGCXUPCANP-QWRGUYRKSA-N 2 2 222.336 1.386 10 0 BDAELP OC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000063000777 183142163 /nfs/dbraw/zinc/14/21/63/183142163.db2.gz JFCWKJAMTPVBBV-STQMWFEESA-N 2 2 220.316 1.062 10 0 BDAELP O[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575100 183188814 /nfs/dbraw/zinc/18/88/14/183188814.db2.gz DGAXCJOMFRZPEO-QWHCGFSZSA-N 2 2 226.364 1.365 10 0 BDAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cnn(C)c1 ZINC000020075351 169152800 /nfs/dbraw/zinc/15/28/00/169152800.db2.gz PULQOSFGNBTXSK-GFCCVEGCSA-N 2 2 224.352 1.542 10 0 BDAELP CCC[N@H+](CC[NH3+])Cc1ccccc1OC ZINC000032014350 169157701 /nfs/dbraw/zinc/15/77/01/169157701.db2.gz KTJUQYZHVYUUAP-UHFFFAOYSA-N 2 2 222.332 1.866 10 0 BDAELP CCC[N@@H+](CC[NH3+])Cc1ccccc1OC ZINC000032014350 169157702 /nfs/dbraw/zinc/15/77/02/169157702.db2.gz KTJUQYZHVYUUAP-UHFFFAOYSA-N 2 2 222.332 1.866 10 0 BDAELP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000054789582 183352471 /nfs/dbraw/zinc/35/24/71/183352471.db2.gz DRIKNCVKQAFNRB-LLVKDONJSA-N 2 2 232.331 1.051 10 0 BDAELP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ncn1 ZINC000054789582 183352473 /nfs/dbraw/zinc/35/24/73/183352473.db2.gz DRIKNCVKQAFNRB-LLVKDONJSA-N 2 2 232.331 1.051 10 0 BDAELP c1cn2c(cccc2OC2CC[NH2+]CC2)[nH+]1 ZINC000089201240 183358879 /nfs/dbraw/zinc/35/88/79/183358879.db2.gz UWNVSEWUIQUQRZ-UHFFFAOYSA-N 2 2 217.272 1.465 10 0 BDAELP c1cc(OCC[C@@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000051870849 183359024 /nfs/dbraw/zinc/35/90/24/183359024.db2.gz BYZRQPRIAHLWLS-NSHDSACASA-N 2 2 206.289 1.993 10 0 BDAELP CCC[NH2+]C1CC[NH+]([C@@H](C)CC[NH+](C)C)CC1 ZINC000049557910 169255352 /nfs/dbraw/zinc/25/53/52/169255352.db2.gz PSMZDQWLJSAXCH-ZDUSSCGKSA-N 3 2 241.423 1.791 10 0 BDAELP CCC[NH2+]C[C@@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000052572266 169261613 /nfs/dbraw/zinc/26/16/13/169261613.db2.gz HLVXHVKULKAFAF-OLZOCXBDSA-N 2 2 246.395 1.358 10 0 BDAELP CCC[NH2+]C[C@@H](C)[N@@H+](CCOC)[C@@H](C)COC ZINC000052572266 169261614 /nfs/dbraw/zinc/26/16/14/169261614.db2.gz HLVXHVKULKAFAF-OLZOCXBDSA-N 2 2 246.395 1.358 10 0 BDAELP CCC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000026443087 169290574 /nfs/dbraw/zinc/29/05/74/169290574.db2.gz ZJSVJZPVBJHEBN-KGLIPLIRSA-N 2 2 240.391 1.877 10 0 BDAELP [NH3+]Cc1ncc2n1CC[N@@H+](Cc1ccccc1)C2 ZINC000089195615 383941453 /nfs/dbraw/zinc/94/14/53/383941453.db2.gz UPHLKOGMUQLSBD-UHFFFAOYSA-N 2 2 242.326 1.358 10 0 BDAELP [NH3+]Cc1ncc2n1CC[N@H+](Cc1ccccc1)C2 ZINC000089195615 383941457 /nfs/dbraw/zinc/94/14/57/383941457.db2.gz UPHLKOGMUQLSBD-UHFFFAOYSA-N 2 2 242.326 1.358 10 0 BDAELP C[C@]([NH3+])(CCO)c1[nH+]ccc2[nH]ccc21 ZINC000089220671 383949485 /nfs/dbraw/zinc/94/94/85/383949485.db2.gz FRWJOSXXVSHBAU-NSHDSACASA-N 2 2 205.261 1.119 10 0 BDAELP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733556 384133644 /nfs/dbraw/zinc/13/36/44/384133644.db2.gz INTVECXUDRCWHR-VHSXEESVSA-N 2 2 225.361 1.793 10 0 BDAELP CC[C@H]([NH3+])[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000036232349 384186316 /nfs/dbraw/zinc/18/63/16/384186316.db2.gz FQGMQPPPSKRDOW-UWVGGRQHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H]([NH3+])[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000036232349 384186319 /nfs/dbraw/zinc/18/63/19/384186319.db2.gz FQGMQPPPSKRDOW-UWVGGRQHSA-N 2 2 200.326 1.223 10 0 BDAELP CN(C[C@H]1CCC[NH2+]C1)c1[nH]c2ccccc2[nH+]1 ZINC000095071121 384338155 /nfs/dbraw/zinc/33/81/55/384338155.db2.gz DJCXARHYAXJPAG-NSHDSACASA-N 2 2 244.342 1.999 10 0 BDAELP C[N@@H+](Cc1ccc(Cl)nn1)C[C@H]1CC[NH2+]C1 ZINC000095071291 384341665 /nfs/dbraw/zinc/34/16/65/384341665.db2.gz UHIIWMRDMSNLJG-VIFPVBQESA-N 2 2 240.738 1.171 10 0 BDAELP C[N@H+](Cc1ccc(Cl)nn1)C[C@H]1CC[NH2+]C1 ZINC000095071291 384341670 /nfs/dbraw/zinc/34/16/70/384341670.db2.gz UHIIWMRDMSNLJG-VIFPVBQESA-N 2 2 240.738 1.171 10 0 BDAELP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000095072312 384342743 /nfs/dbraw/zinc/34/27/43/384342743.db2.gz MKYXLVKALSNTEO-UWVGGRQHSA-N 2 2 240.738 1.490 10 0 BDAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccccn1 ZINC000095072275 384342990 /nfs/dbraw/zinc/34/29/90/384342990.db2.gz LNIIYMZGKXCBNO-NWDGAFQWSA-N 2 2 205.305 1.441 10 0 BDAELP O=C(C[NH2+]C[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072796 384345187 /nfs/dbraw/zinc/34/51/87/384345187.db2.gz RRRCNBPKPBIUHF-JTQLQIEISA-N 2 2 238.356 1.520 10 0 BDAELP O=C(C[NH2+]C1CC[NH2+]CC1)c1cccs1 ZINC000095072763 384345565 /nfs/dbraw/zinc/34/55/65/384345565.db2.gz ASUVSJHZFZOKAB-UHFFFAOYSA-N 2 2 224.329 1.272 10 0 BDAELP C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095075938 384350130 /nfs/dbraw/zinc/35/01/30/384350130.db2.gz JKXQRHRSEWMWBN-ZIAGYGMSSA-N 2 2 234.343 1.089 10 0 BDAELP C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095075938 384350134 /nfs/dbraw/zinc/35/01/34/384350134.db2.gz JKXQRHRSEWMWBN-ZIAGYGMSSA-N 2 2 234.343 1.089 10 0 BDAELP [NH3+]CCN1CC[C@@H](n2cc[nH+]c2)c2ccccc21 ZINC000616675858 384411385 /nfs/dbraw/zinc/41/13/85/384411385.db2.gz RXZVBWIQSIEEFR-CQSZACIVSA-N 2 2 242.326 1.641 10 0 BDAELP CN(c1cc[nH+]c(C2CC2)n1)[C@@H]1CC[NH2+]C1 ZINC000212221240 384563516 /nfs/dbraw/zinc/56/35/16/384563516.db2.gz RUQTXKBVIBNSPC-SNVBAGLBSA-N 2 2 218.304 1.152 10 0 BDAELP CCC[C@@]1(CO)CC[N@H+](CC[NH2+]C(C)C)C1 ZINC000310038253 384805472 /nfs/dbraw/zinc/80/54/72/384805472.db2.gz VXHXULDHJLMGCP-CYBMUJFWSA-N 2 2 228.380 1.469 10 0 BDAELP CCC[C@@]1(CO)CC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000310038253 384805476 /nfs/dbraw/zinc/80/54/76/384805476.db2.gz VXHXULDHJLMGCP-CYBMUJFWSA-N 2 2 228.380 1.469 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(F)cc1C(F)(F)F ZINC000072201036 384814902 /nfs/dbraw/zinc/81/49/02/384814902.db2.gz BXXOVQMCIGLCDY-QMMMGPOBSA-N 2 2 222.185 1.803 10 0 BDAELP C[C@@H](CC[NH3+])Nc1cc(NC2CC2)nc[nH+]1 ZINC000258674525 384935027 /nfs/dbraw/zinc/93/50/27/384935027.db2.gz OTZUWEGKWTVRFB-QMMMGPOBSA-N 2 2 221.308 1.200 10 0 BDAELP C[C@@H](CC[NH3+])Nc1cc(NC2CC2)[nH+]cn1 ZINC000258674525 384935035 /nfs/dbraw/zinc/93/50/35/384935035.db2.gz OTZUWEGKWTVRFB-QMMMGPOBSA-N 2 2 221.308 1.200 10 0 BDAELP O=C1CCCCC[C@@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000062749596 385226949 /nfs/dbraw/zinc/22/69/49/385226949.db2.gz GMCOQLRAUUZWNW-NSHDSACASA-N 2 2 210.321 1.184 10 0 BDAELP O=C1CCCCC[C@@H]1[N@H+]1CCC[NH2+]CC1 ZINC000062749596 385226958 /nfs/dbraw/zinc/22/69/58/385226958.db2.gz GMCOQLRAUUZWNW-NSHDSACASA-N 2 2 210.321 1.184 10 0 BDAELP CCSCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000308550294 385579439 /nfs/dbraw/zinc/57/94/39/385579439.db2.gz XFLDXOBCRVUNQY-WDEREUQCSA-N 2 2 216.394 1.669 10 0 BDAELP CCSCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000308550294 385579442 /nfs/dbraw/zinc/57/94/42/385579442.db2.gz XFLDXOBCRVUNQY-WDEREUQCSA-N 2 2 216.394 1.669 10 0 BDAELP C[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])C1CC1 ZINC000068893714 386328235 /nfs/dbraw/zinc/32/82/35/386328235.db2.gz QKMULRJCDUFKMK-CYBMUJFWSA-N 2 2 204.317 1.856 10 0 BDAELP C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])C1CC1 ZINC000068893714 386328242 /nfs/dbraw/zinc/32/82/42/386328242.db2.gz QKMULRJCDUFKMK-CYBMUJFWSA-N 2 2 204.317 1.856 10 0 BDAELP C[NH+](C)[C@@H]1CCC[C@]([NH3+])(c2ncc[nH]2)C1 ZINC000521401298 386454302 /nfs/dbraw/zinc/45/43/02/386454302.db2.gz JILWGYSCRUUVRA-MWLCHTKSSA-N 2 2 208.309 1.068 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@]12[NH2+]C(C)(C)CS2 ZINC000307506215 386699420 /nfs/dbraw/zinc/69/94/20/386699420.db2.gz QLYVNHWPYVNYGW-WPRPVWTQSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccnc1 ZINC000396576362 386782039 /nfs/dbraw/zinc/78/20/39/386782039.db2.gz NEXPLDFFYDEODQ-GMXVVIOVSA-N 2 2 219.332 1.873 10 0 BDAELP Fc1cccc(F)c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398384589 386815273 /nfs/dbraw/zinc/81/52/73/386815273.db2.gz VXWVJVPAYOQDLG-SECBINFHSA-N 2 2 226.270 1.664 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCOC)C1 ZINC000395429360 386834614 /nfs/dbraw/zinc/83/46/14/386834614.db2.gz KLZMMNTXWMRJIH-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCOC)C1 ZINC000395429360 386834619 /nfs/dbraw/zinc/83/46/19/386834619.db2.gz KLZMMNTXWMRJIH-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP O[C@@H]1CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000398783185 386990130 /nfs/dbraw/zinc/99/01/30/386990130.db2.gz NYCVADWAFXAJRS-BFHYXJOUSA-N 2 2 249.358 1.366 10 0 BDAELP O[C@@H]1CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000398783185 386990134 /nfs/dbraw/zinc/99/01/34/386990134.db2.gz NYCVADWAFXAJRS-BFHYXJOUSA-N 2 2 249.358 1.366 10 0 BDAELP C[C@@H]1CCS[C@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575577374 387035395 /nfs/dbraw/zinc/03/53/95/387035395.db2.gz XABWOSJVWHCABH-ZJUUUORDSA-N 2 2 200.351 1.571 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336293650 387123433 /nfs/dbraw/zinc/12/34/33/387123433.db2.gz WMUHLZGXUQNCCF-OLZOCXBDSA-N 2 2 248.374 1.790 10 0 BDAELP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1O ZINC000352657851 387422539 /nfs/dbraw/zinc/42/25/39/387422539.db2.gz HNFPYEBOZGDWPF-NEPJUHHUSA-N 2 2 223.320 1.118 10 0 BDAELP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[C@@H]1O ZINC000352657851 387422543 /nfs/dbraw/zinc/42/25/43/387422543.db2.gz HNFPYEBOZGDWPF-NEPJUHHUSA-N 2 2 223.320 1.118 10 0 BDAELP C[C@H](C[NH2+][C@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422979560 387789276 /nfs/dbraw/zinc/78/92/76/387789276.db2.gz JVGDLZQUFWCTPE-NEPJUHHUSA-N 2 2 220.316 1.405 10 0 BDAELP c1ccc2[nH+]c(N3CC[N@@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000245714539 387976672 /nfs/dbraw/zinc/97/66/72/387976672.db2.gz PVYCYUNPRUQUHV-NSHDSACASA-N 2 2 242.326 1.847 10 0 BDAELP c1ccc2[nH+]c(N3CC[N@H+]4CCC[C@H]4C3)[nH]c2c1 ZINC000245714539 387976677 /nfs/dbraw/zinc/97/66/77/387976677.db2.gz PVYCYUNPRUQUHV-NSHDSACASA-N 2 2 242.326 1.847 10 0 BDAELP C[C@@H]1Oc2ccccc2C=C1[C@H](C[NH3+])[NH+](C)C ZINC000041166620 388431698 /nfs/dbraw/zinc/43/16/98/388431698.db2.gz NEQZSYHZFHWQLS-GWCFXTLKSA-N 2 2 232.327 1.740 10 0 BDAELP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000517918248 388597518 /nfs/dbraw/zinc/59/75/18/388597518.db2.gz ADYZANLHZWPYLT-MELADBBJSA-N 3 2 241.423 1.694 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC000575458650 388801761 /nfs/dbraw/zinc/80/17/61/388801761.db2.gz KMNKVEKMMUFWDN-QWHCGFSZSA-N 2 2 222.307 1.818 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000153362568 388967175 /nfs/dbraw/zinc/96/71/75/388967175.db2.gz MQVGOUVMEXLWSO-VXGBXAGGSA-N 2 2 214.353 1.343 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000153362568 388967178 /nfs/dbraw/zinc/96/71/78/388967178.db2.gz MQVGOUVMEXLWSO-VXGBXAGGSA-N 2 2 214.353 1.343 10 0 BDAELP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000336056436 134066460 /nfs/dbraw/zinc/06/64/60/134066460.db2.gz YXELESUGWJBFSM-CYBMUJFWSA-N 2 2 244.342 1.876 10 0 BDAELP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000336056436 134066461 /nfs/dbraw/zinc/06/64/61/134066461.db2.gz YXELESUGWJBFSM-CYBMUJFWSA-N 2 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CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000336778920 170040214 /nfs/dbraw/zinc/04/02/14/170040214.db2.gz MRYFIHMWVZEGGX-QNWHQSFQSA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCO[C@H](C)C2)C1 ZINC000336778920 170040215 /nfs/dbraw/zinc/04/02/15/170040215.db2.gz MRYFIHMWVZEGGX-QNWHQSFQSA-N 2 2 226.364 1.484 10 0 BDAELP CC[NH2+]C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000049326908 170108282 /nfs/dbraw/zinc/10/82/82/170108282.db2.gz ZAJQZNGUSGXLTN-UHFFFAOYSA-N 3 2 236.363 1.347 10 0 BDAELP CC[NH2+]C1CC[NH+](Cc2ccco2)CC1 ZINC000037241352 170108418 /nfs/dbraw/zinc/10/84/18/170108418.db2.gz QVXGFZUTHQNTCS-UHFFFAOYSA-N 2 2 208.305 1.854 10 0 BDAELP CC[NH2+]CCN(CC)c1[nH]c2ccccc2[nH+]1 ZINC000053707456 170113415 /nfs/dbraw/zinc/11/34/15/170113415.db2.gz WDFQPSHFYSBJCQ-UHFFFAOYSA-N 2 2 232.331 1.999 10 0 BDAELP CC[NH2+]C[C@@H]1CCCCN1CCn1cc[nH+]c1 ZINC000104415991 170120382 /nfs/dbraw/zinc/12/03/82/170120382.db2.gz PEQQYFUSTCEJBC-ZDUSSCGKSA-N 2 2 236.363 1.347 10 0 BDAELP CC[NH2+][C@H]1C(=O)Nc2cc(-n3cc[nH+]c3)ccc21 ZINC000103966830 170166261 /nfs/dbraw/zinc/16/62/61/170166261.db2.gz HRTBKCUCUYJYAP-GFCCVEGCSA-N 2 2 242.282 1.475 10 0 BDAELP CCOCCC[NH2+]CC[N@H+](CCOC)C1CC1 ZINC000053433747 170380273 /nfs/dbraw/zinc/38/02/73/170380273.db2.gz JVIJSCFGMYQKTJ-UHFFFAOYSA-N 2 2 244.379 1.113 10 0 BDAELP CCOCCC[NH2+]CC[N@@H+](CCOC)C1CC1 ZINC000053433747 170380275 /nfs/dbraw/zinc/38/02/75/170380275.db2.gz JVIJSCFGMYQKTJ-UHFFFAOYSA-N 2 2 244.379 1.113 10 0 BDAELP CC[C@@H]1C[N@H+](C[C@](C)([NH3+])C2CC2)CCO1 ZINC000037479248 171086883 /nfs/dbraw/zinc/08/68/83/171086883.db2.gz AXRDSBDBYQXTCN-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@@H]1C[N@@H+](C[C@](C)([NH3+])C2CC2)CCO1 ZINC000037479248 171086886 /nfs/dbraw/zinc/08/68/86/171086886.db2.gz AXRDSBDBYQXTCN-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1Cc1occc1C[NH2+]C ZINC000052481425 171108066 /nfs/dbraw/zinc/10/80/66/171108066.db2.gz ZARYQRQHPUVXSR-GFCCVEGCSA-N 2 2 238.331 1.610 10 0 BDAELP CC[C@@H]1COCC[N@H+]1Cc1occc1C[NH2+]C ZINC000052481425 171108068 /nfs/dbraw/zinc/10/80/68/171108068.db2.gz ZARYQRQHPUVXSR-GFCCVEGCSA-N 2 2 238.331 1.610 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1[C@@](C)(C[NH3+])C(C)C ZINC000041053674 171108759 /nfs/dbraw/zinc/10/87/59/171108759.db2.gz SPRMCJRWGXTJPL-NEPJUHHUSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1COCC[N@H+]1[C@@](C)(C[NH3+])C(C)C ZINC000041053674 171108763 /nfs/dbraw/zinc/10/87/63/171108763.db2.gz SPRMCJRWGXTJPL-NEPJUHHUSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1([NH3+])CCCC1 ZINC000042452149 171111485 /nfs/dbraw/zinc/11/14/85/171111485.db2.gz BINITDQJDBRBDD-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1CC1([NH3+])CCCC1 ZINC000042452149 171111486 /nfs/dbraw/zinc/11/14/86/171111486.db2.gz BINITDQJDBRBDD-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H](CCF)C2)no1 ZINC000662312264 412094100 /nfs/dbraw/zinc/09/41/00/412094100.db2.gz XZCYABXVZMGNHA-SECBINFHSA-N 2 2 242.298 1.100 10 0 BDAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H](CCF)C2)no1 ZINC000662312264 412094103 /nfs/dbraw/zinc/09/41/03/412094103.db2.gz XZCYABXVZMGNHA-SECBINFHSA-N 2 2 242.298 1.100 10 0 BDAELP CCc1[nH+]c2ccccc2n1C[C@H](O)C[NH2+]C ZINC000062807647 172013257 /nfs/dbraw/zinc/01/32/57/172013257.db2.gz HRQGWTIFLLRDPN-SNVBAGLBSA-N 2 2 233.315 1.179 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1CN2CCC1CC2 ZINC000020441390 172396257 /nfs/dbraw/zinc/39/62/57/172396257.db2.gz LFMNPDDNBCBUTG-LBPRGKRZSA-N 2 2 225.380 1.010 10 0 BDAELP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336658359 172467520 /nfs/dbraw/zinc/46/75/20/172467520.db2.gz QFUBZKCYSMQLRL-GHMZBOCLSA-N 2 2 202.317 1.666 10 0 BDAELP C[NH+]1CCN(C2=[NH+]c3ccccc3C2)CC1 ZINC000100271697 173077466 /nfs/dbraw/zinc/07/74/66/173077466.db2.gz ZTAFFBKSCGGBNQ-UHFFFAOYSA-N 2 2 215.300 1.520 10 0 BDAELP C[N@@H+]1CC[C@@H](C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000037647478 173114576 /nfs/dbraw/zinc/11/45/76/173114576.db2.gz IBEFTGJNJHNWES-LBPRGKRZSA-N 2 2 247.342 1.166 10 0 BDAELP C[N@H+]1CC[C@@H](C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000037647478 173114578 /nfs/dbraw/zinc/11/45/78/173114578.db2.gz IBEFTGJNJHNWES-LBPRGKRZSA-N 2 2 247.342 1.166 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000020523979 173206978 /nfs/dbraw/zinc/20/69/78/173206978.db2.gz UAEZYXMLAMZZJK-YHWZYXNKSA-N 3 2 239.407 1.541 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000020523979 173206980 /nfs/dbraw/zinc/20/69/80/173206980.db2.gz UAEZYXMLAMZZJK-YHWZYXNKSA-N 3 2 239.407 1.541 10 0 BDAELP C[NH2+]CC1(C[N@@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000051210494 173337545 /nfs/dbraw/zinc/33/75/45/173337545.db2.gz BRADTVXKQGCWOL-LBPRGKRZSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]CC1(C[N@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000051210494 173337546 /nfs/dbraw/zinc/33/75/46/173337546.db2.gz BRADTVXKQGCWOL-LBPRGKRZSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]CC1(C[N@@H+]2CCOC[C@@H]2C)CCCC1 ZINC000051216730 173337975 /nfs/dbraw/zinc/33/79/75/173337975.db2.gz SFXAVLDOYXWLPE-LBPRGKRZSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]CC1(C[N@H+]2CCOC[C@@H]2C)CCCC1 ZINC000051216730 173337976 /nfs/dbraw/zinc/33/79/76/173337976.db2.gz SFXAVLDOYXWLPE-LBPRGKRZSA-N 2 2 226.364 1.487 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2)C1 ZINC000053034308 173369551 /nfs/dbraw/zinc/36/95/51/173369551.db2.gz ZSOAMYDYZXSHPN-ZDUSSCGKSA-N 3 2 236.363 1.205 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2)C1 ZINC000053034308 173369553 /nfs/dbraw/zinc/36/95/53/173369553.db2.gz ZSOAMYDYZXSHPN-ZDUSSCGKSA-N 3 2 236.363 1.205 10 0 BDAELP C[NH2+]Cc1cc(F)ccc1-n1cc[nH+]c1 ZINC000037236844 173386670 /nfs/dbraw/zinc/38/66/70/173386670.db2.gz KJDJSUCLTIQVSS-UHFFFAOYSA-N 2 2 205.236 1.731 10 0 BDAELP C[NH2+]Cc1cc(C[NH+]2CCOCC2)c(C)o1 ZINC000052377969 173386718 /nfs/dbraw/zinc/38/67/18/173386718.db2.gz JRVDFQQUXSSNAY-UHFFFAOYSA-N 2 2 224.304 1.140 10 0 BDAELP COCC[N@H+](C)[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042909055 174282081 /nfs/dbraw/zinc/28/20/81/174282081.db2.gz XKPMODRQQCTNOT-GXTWGEPZSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@H](C)[NH3+] ZINC000042909055 174282083 /nfs/dbraw/zinc/28/20/83/174282083.db2.gz XKPMODRQQCTNOT-GXTWGEPZSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000041280494 174283022 /nfs/dbraw/zinc/28/30/22/174283022.db2.gz XMEWYRLRJWZQLX-ZDUSSCGKSA-N 2 2 238.331 1.273 10 0 BDAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000041280494 174283023 /nfs/dbraw/zinc/28/30/23/174283023.db2.gz XMEWYRLRJWZQLX-ZDUSSCGKSA-N 2 2 238.331 1.273 10 0 BDAELP COCC[N@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000041241197 174283811 /nfs/dbraw/zinc/28/38/11/174283811.db2.gz RLLDFGPMAPMVCY-CYBMUJFWSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@@H+](C)[C@H](C[NH3+])c1ccccc1C ZINC000041241197 174283813 /nfs/dbraw/zinc/28/38/13/174283813.db2.gz RLLDFGPMAPMVCY-CYBMUJFWSA-N 2 2 222.332 1.573 10 0 BDAELP COc1cc2[nH]c([C@@H](C)C[NH3+])[nH+]c2cc1OC ZINC000054334369 175028110 /nfs/dbraw/zinc/02/81/10/175028110.db2.gz RVSFGFSSYMPYPV-ZETCQYMHSA-N 2 2 235.287 1.642 10 0 BDAELP COc1cc2[nH]c([C@H](C)C[NH3+])[nH+]c2cc1OC ZINC000054334370 175028395 /nfs/dbraw/zinc/02/83/95/175028395.db2.gz RVSFGFSSYMPYPV-SSDOTTSWSA-N 2 2 235.287 1.642 10 0 BDAELP COc1ccc(CCC[NH2+]CC[NH+](C)C)cc1 ZINC000041271733 175089431 /nfs/dbraw/zinc/08/94/31/175089431.db2.gz RRNDAMWKPLEVMS-UHFFFAOYSA-N 2 2 236.359 1.779 10 0 BDAELP COc1ccc(OC)c([C@@H](C[NH3+])[NH2+]C2CC2)c1 ZINC000050271235 175166931 /nfs/dbraw/zinc/16/69/31/175166931.db2.gz VCAIIDDMACLMLJ-GFCCVEGCSA-N 2 2 236.315 1.456 10 0 BDAELP COc1ccc([C@H]([C@@H](C)[NH3+])n2cc[nH+]c2)cc1 ZINC000042962233 175193902 /nfs/dbraw/zinc/19/39/02/175193902.db2.gz NXUADRIVWJVLBY-MFKMUULPSA-N 2 2 231.299 1.828 10 0 BDAELP COc1cccc(C[N@H+](C)C(C)(C)C[NH3+])c1 ZINC000020226823 175253455 /nfs/dbraw/zinc/25/34/55/175253455.db2.gz BXAOBAXHMBWDBA-UHFFFAOYSA-N 2 2 222.332 1.864 10 0 BDAELP COc1cccc(C[N@@H+](C)C(C)(C)C[NH3+])c1 ZINC000020226823 175253456 /nfs/dbraw/zinc/25/34/56/175253456.db2.gz BXAOBAXHMBWDBA-UHFFFAOYSA-N 2 2 222.332 1.864 10 0 BDAELP COc1ccccc1[C@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000034977383 175353528 /nfs/dbraw/zinc/35/35/28/175353528.db2.gz XLCWSOQQFVAPFV-SNVBAGLBSA-N 2 2 217.272 1.661 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC000095068170 176016948 /nfs/dbraw/zinc/01/69/48/176016948.db2.gz VAHGJVVJTPYPEC-QWRGUYRKSA-N 2 2 207.321 1.760 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC000095068170 176016949 /nfs/dbraw/zinc/01/69/49/176016949.db2.gz VAHGJVVJTPYPEC-QWRGUYRKSA-N 2 2 207.321 1.760 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020075251 176075011 /nfs/dbraw/zinc/07/50/11/176075011.db2.gz PBCLWEUKYRSIAC-PWSUYJOCSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020075251 176075012 /nfs/dbraw/zinc/07/50/12/176075012.db2.gz PBCLWEUKYRSIAC-PWSUYJOCSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000032021367 176075561 /nfs/dbraw/zinc/07/55/61/176075561.db2.gz QCVYJDRGTWISDL-YPMHNXCESA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000032021367 176075563 /nfs/dbraw/zinc/07/55/63/176075563.db2.gz QCVYJDRGTWISDL-YPMHNXCESA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2ccccn2)[C@@H](C[NH3+])C1 ZINC000235338547 176175217 /nfs/dbraw/zinc/17/52/17/176175217.db2.gz XLHBBPIFKHSQIF-DGCLKSJQSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2ccccn2)[C@@H](C[NH3+])C1 ZINC000235338547 176175218 /nfs/dbraw/zinc/17/52/18/176175218.db2.gz XLHBBPIFKHSQIF-DGCLKSJQSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])C[N@@H+]1CC1CCOCC1 ZINC000052175000 176209492 /nfs/dbraw/zinc/20/94/92/176209492.db2.gz SZZJXARLYXYKJQ-ZYHUDNBSSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1CC1CCOCC1 ZINC000052175000 176209495 /nfs/dbraw/zinc/20/94/95/176209495.db2.gz SZZJXARLYXYKJQ-ZYHUDNBSSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCCO1 ZINC000308986719 176273878 /nfs/dbraw/zinc/27/38/78/176273878.db2.gz JYJDLCXNOPMPBB-WISYIIOYSA-N 2 2 212.337 1.094 10 0 BDAELP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCCO1 ZINC000308986719 176273880 /nfs/dbraw/zinc/27/38/80/176273880.db2.gz JYJDLCXNOPMPBB-WISYIIOYSA-N 2 2 212.337 1.094 10 0 BDAELP C[C@@H]1C[NH+](CC2([NH3+])CCCCC2)C[C@@H](C)O1 ZINC000020071881 176284659 /nfs/dbraw/zinc/28/46/59/176284659.db2.gz IIKXYVKYFVHGNA-VXGBXAGGSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[NH+](Cc2ccoc2C[NH3+])C[C@@H](C)O1 ZINC000052380461 176308788 /nfs/dbraw/zinc/30/87/88/176308788.db2.gz GRODIIBMSQVSHC-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])c2cccs2)CCCO1 ZINC000061913349 176315197 /nfs/dbraw/zinc/31/51/97/176315197.db2.gz IIMJKWUTNCSCSD-MNOVXSKESA-N 2 2 240.372 1.859 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])c2cccs2)CCCO1 ZINC000061913349 176315198 /nfs/dbraw/zinc/31/51/98/176315198.db2.gz IIMJKWUTNCSCSD-MNOVXSKESA-N 2 2 240.372 1.859 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccccc2F)C1 ZINC000049661411 176325371 /nfs/dbraw/zinc/32/53/71/176325371.db2.gz WZPBYXHZXDMFJP-LLVKDONJSA-N 2 2 222.307 1.867 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccccc2F)C1 ZINC000049661411 176325373 /nfs/dbraw/zinc/32/53/73/176325373.db2.gz WZPBYXHZXDMFJP-LLVKDONJSA-N 2 2 222.307 1.867 10 0 BDAELP C[C@@H]1COCC[N@@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000035776352 176337887 /nfs/dbraw/zinc/33/78/87/176337887.db2.gz MZNCXXMSYYDXFQ-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@@H]1COCC[N@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000035776352 176337888 /nfs/dbraw/zinc/33/78/88/176337888.db2.gz MZNCXXMSYYDXFQ-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccn1 ZINC000037910326 177111808 /nfs/dbraw/zinc/11/18/08/177111808.db2.gz VDDWXKQWIAGAJR-JQWIXIFHSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@H]1CCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037910690 177112054 /nfs/dbraw/zinc/11/20/54/177112054.db2.gz IRXWOVMFIYTFDI-SUHUHFCYSA-N 2 2 232.327 1.932 10 0 BDAELP C[C@H]1CC[N@H+](CCc2cccnc2)CC[NH2+]1 ZINC000049662252 177162498 /nfs/dbraw/zinc/16/24/98/177162498.db2.gz BKOYOEVYLDJWNX-LBPRGKRZSA-N 2 2 219.332 1.308 10 0 BDAELP C[C@H]1CC[N@@H+](CCc2cccnc2)CC[NH2+]1 ZINC000049662252 177162500 /nfs/dbraw/zinc/16/25/00/177162500.db2.gz BKOYOEVYLDJWNX-LBPRGKRZSA-N 2 2 219.332 1.308 10 0 BDAELP C[C@H]1CC[N@H+](Cc2ccccn2)[C@@H](C[NH3+])C1 ZINC000235674265 177165332 /nfs/dbraw/zinc/16/53/32/177165332.db2.gz XLHBBPIFKHSQIF-WCQYABFASA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2ccccn2)[C@@H](C[NH3+])C1 ZINC000235674265 177165334 /nfs/dbraw/zinc/16/53/34/177165334.db2.gz XLHBBPIFKHSQIF-WCQYABFASA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[N@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052484517 177167507 /nfs/dbraw/zinc/16/75/07/177167507.db2.gz WYZIUHYCSVJCPQ-QMMMGPOBSA-N 2 2 211.334 1.444 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052484517 177167510 /nfs/dbraw/zinc/16/75/10/177167510.db2.gz WYZIUHYCSVJCPQ-QMMMGPOBSA-N 2 2 211.334 1.444 10 0 BDAELP C[C@@H](CC[NH+](C)C)[N@@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049667798 177170183 /nfs/dbraw/zinc/17/01/83/177170183.db2.gz NAXZZMAESJLKMY-STQMWFEESA-N 3 2 227.396 1.401 10 0 BDAELP C[C@@H](CC[NH+](C)C)[N@H+]1CCC[NH2+][C@@H](C)CC1 ZINC000049667798 177170184 /nfs/dbraw/zinc/17/01/84/177170184.db2.gz NAXZZMAESJLKMY-STQMWFEESA-N 3 2 227.396 1.401 10 0 BDAELP C[C@H]1C[N@H+](CCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071544657 177254911 /nfs/dbraw/zinc/25/49/11/177254911.db2.gz GCRIWRNFWUTTQP-JSGCOSHPSA-N 2 2 234.343 1.277 10 0 BDAELP C[C@H]1C[N@@H+](CCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071544657 177254914 /nfs/dbraw/zinc/25/49/14/177254914.db2.gz GCRIWRNFWUTTQP-JSGCOSHPSA-N 2 2 234.343 1.277 10 0 BDAELP C[C@H]1C[N@H+](C[C@](C)([NH3+])C2CC2)CC(C)(C)O1 ZINC000041681535 177258470 /nfs/dbraw/zinc/25/84/70/177258470.db2.gz WTTGKJBFNLDORS-GWCFXTLKSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@H]1C[N@@H+](C[C@](C)([NH3+])C2CC2)CC(C)(C)O1 ZINC000041681535 177258472 /nfs/dbraw/zinc/25/84/72/177258472.db2.gz WTTGKJBFNLDORS-GWCFXTLKSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@H]1CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C[NH2+]1 ZINC000096984067 177280757 /nfs/dbraw/zinc/28/07/57/177280757.db2.gz RGVJYDHQIAWFSP-ZFWWWQNUSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@H]1CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C[NH2+]1 ZINC000096984067 177280760 /nfs/dbraw/zinc/28/07/60/177280760.db2.gz RGVJYDHQIAWFSP-ZFWWWQNUSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@H]1COC[C@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000183180770 177300495 /nfs/dbraw/zinc/30/04/95/177300495.db2.gz AXKYKACZSMWIDQ-RYUDHWBXSA-N 2 2 223.320 1.382 10 0 BDAELP C[N@@H+](Cc1cc[nH]n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681915101 487867821 /nfs/dbraw/zinc/86/78/21/487867821.db2.gz SELLYHRVQQMRAA-LLVKDONJSA-N 2 2 245.330 1.301 10 0 BDAELP C[N@H+](Cc1cc[nH]n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681915101 487867828 /nfs/dbraw/zinc/86/78/28/487867828.db2.gz SELLYHRVQQMRAA-LLVKDONJSA-N 2 2 245.330 1.301 10 0 BDAELP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)C(F)(F)F ZINC000569566628 322970469 /nfs/dbraw/zinc/97/04/69/322970469.db2.gz FHEDZLWZBMJUST-ZETCQYMHSA-N 2 2 210.243 1.526 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000397524393 323033297 /nfs/dbraw/zinc/03/32/97/323033297.db2.gz MNTJQNDGJJCCOR-DGCLKSJQSA-N 2 2 247.342 1.189 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000308570089 326135663 /nfs/dbraw/zinc/13/56/63/326135663.db2.gz BRYRXRLHEPHYJF-SNVBAGLBSA-N 2 2 200.301 1.562 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000308570089 326135665 /nfs/dbraw/zinc/13/56/65/326135665.db2.gz BRYRXRLHEPHYJF-SNVBAGLBSA-N 2 2 200.301 1.562 10 0 BDAELP Cc1nnc([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615492 490176408 /nfs/dbraw/zinc/17/64/08/490176408.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 2 2 249.362 1.045 10 0 BDAELP Cc1nnc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)[nH]1 ZINC000584615492 490176420 /nfs/dbraw/zinc/17/64/20/490176420.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 2 2 249.362 1.045 10 0 BDAELP Cc1n[nH]c([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n1 ZINC000584615492 490176425 /nfs/dbraw/zinc/17/64/25/490176425.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 2 2 249.362 1.045 10 0 BDAELP Cc1n[nH]c([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n1 ZINC000584615492 490176433 /nfs/dbraw/zinc/17/64/33/490176433.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 2 2 249.362 1.045 10 0 BDAELP Cc1nc([C@H]2CCC[N@@H+](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000584615492 490176438 /nfs/dbraw/zinc/17/64/38/490176438.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 2 2 249.362 1.045 10 0 BDAELP Cc1nc([C@H]2CCC[N@H+](C3CC[NH2+]CC3)C2)n[nH]1 ZINC000584615492 490176444 /nfs/dbraw/zinc/17/64/44/490176444.db2.gz XEWSXZGOOYPSSU-NSHDSACASA-N 2 2 249.362 1.045 10 0 BDAELP Cn1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000122827789 490178464 /nfs/dbraw/zinc/17/84/64/490178464.db2.gz SMBGOBIPTWZVST-CYBMUJFWSA-N 2 2 245.330 1.281 10 0 BDAELP Cn1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000122827789 490178466 /nfs/dbraw/zinc/17/84/66/490178466.db2.gz SMBGOBIPTWZVST-CYBMUJFWSA-N 2 2 245.330 1.281 10 0 BDAELP CC(C)[C@H]1[NH2+][C@]2(CCC[NH2+]C2)OCC1(C)C ZINC000757153422 582537498 /nfs/dbraw/zinc/53/74/98/582537498.db2.gz VQRREAZVNBFIDO-DGCLKSJQSA-N 2 2 226.364 1.737 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC[C@H]1CCOC1 ZINC000400553311 528503027 /nfs/dbraw/zinc/50/30/27/528503027.db2.gz KUUXBJNTEATBSB-UONOGXRCSA-N 2 2 242.407 1.979 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCOC)C1 ZINC000249819791 535541192 /nfs/dbraw/zinc/54/11/92/535541192.db2.gz NAWOLJLYZKUKOG-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCOC)C1 ZINC000249819791 535541193 /nfs/dbraw/zinc/54/11/93/535541193.db2.gz NAWOLJLYZKUKOG-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP CCc1c(C)[nH+]c(C)nc1N1CCC(C[NH3+])CC1 ZINC000045954884 536070408 /nfs/dbraw/zinc/07/04/08/536070408.db2.gz WMNKLVPMASBEJV-UHFFFAOYSA-N 2 2 248.374 1.831 10 0 BDAELP [NH3+]C[C@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000757155940 582539709 /nfs/dbraw/zinc/53/97/09/582539709.db2.gz JDRQYOSDJRNKNY-DTWKUNHWSA-N 2 2 204.264 1.455 10 0 BDAELP [NH3+]C[C@H]1CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000757155940 582539711 /nfs/dbraw/zinc/53/97/11/582539711.db2.gz JDRQYOSDJRNKNY-DTWKUNHWSA-N 2 2 204.264 1.455 10 0 BDAELP [NH3+]Cc1c(C2CCC2)[nH+]c2n1CCCC2 ZINC000258952513 582754778 /nfs/dbraw/zinc/75/47/78/582754778.db2.gz BFTSOGYTTAUPKC-UHFFFAOYSA-N 2 2 205.305 1.946 10 0 BDAELP CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1c[nH+]c[nH]1 ZINC000757189395 586435026 /nfs/dbraw/zinc/43/50/26/586435026.db2.gz NOOKYKBOGJVRLT-DTWKUNHWSA-N 2 2 237.303 1.054 10 0 BDAELP C[C@@H]1C[C@@H](c2cccc(C=O)c2)[NH2+]C[C@@H]1[NH3+] ZINC000757217188 586441112 /nfs/dbraw/zinc/44/11/12/586441112.db2.gz RIFOAGZGZQTXEI-ICCXJUOJSA-N 2 2 218.300 1.497 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757216786 586441443 /nfs/dbraw/zinc/44/14/43/586441443.db2.gz QCDGGOYPNRXIBO-ICCXJUOJSA-N 2 2 218.300 1.639 10 0 BDAELP C[C@@H]1[NH2+][C@@H](c2cccc(C=O)c2)CC[C@@H]1[NH3+] ZINC000757217457 586441628 /nfs/dbraw/zinc/44/16/28/586441628.db2.gz RUMWKIWYBQBFRZ-TVYUQYBPSA-N 2 2 218.300 1.639 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000757217995 586441808 /nfs/dbraw/zinc/44/18/08/586441808.db2.gz UCIJPLQURXPKRG-CUOATXAZSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cnn(C(C)(C)C)c2)[C@@H]1[NH3+] ZINC000757239591 586444165 /nfs/dbraw/zinc/44/41/65/586444165.db2.gz UYIYLCSXZIXBOM-JLLWLGSASA-N 2 2 236.363 1.636 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+]C[C@@H](C)C[C@H]1[NH3+] ZINC000757239265 586444369 /nfs/dbraw/zinc/44/43/69/586444369.db2.gz TYJODZGDBZHUEM-CKLFPEKLSA-N 2 2 219.332 1.575 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@@H](C[NH3+])C1 ZINC000127575998 590715146 /nfs/dbraw/zinc/71/51/46/590715146.db2.gz GKDXKEDGURAYSN-JTQLQIEISA-N 2 2 221.304 1.265 10 0 BDAELP Cc1ccccc1OCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049473 592501541 /nfs/dbraw/zinc/50/15/41/592501541.db2.gz SATVKZNACOMYHL-QWHCGFSZSA-N 2 2 234.343 1.653 10 0 BDAELP Cc1ccccc1OCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300049473 592501543 /nfs/dbraw/zinc/50/15/43/592501543.db2.gz SATVKZNACOMYHL-QWHCGFSZSA-N 2 2 234.343 1.653 10 0 BDAELP C[C@@H]1[C@@H]([NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC000719576779 712811768 /nfs/dbraw/zinc/81/17/68/712811768.db2.gz BNXHRSOMALOOEB-OCCSQVGLSA-N 2 2 218.344 1.911 10 0 BDAELP C[C@@H]1[C@@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000719576779 712811770 /nfs/dbraw/zinc/81/17/70/712811770.db2.gz BNXHRSOMALOOEB-OCCSQVGLSA-N 2 2 218.344 1.911 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000227706670 711832611 /nfs/dbraw/zinc/83/26/11/711832611.db2.gz MKMGCTFOKZBPPB-QWHCGFSZSA-N 2 2 220.316 1.143 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000227706670 711832612 /nfs/dbraw/zinc/83/26/12/711832612.db2.gz MKMGCTFOKZBPPB-QWHCGFSZSA-N 2 2 220.316 1.143 10 0 BDAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nccn3C3CC3)C[C@H]12 ZINC000711804087 712331999 /nfs/dbraw/zinc/33/19/99/712331999.db2.gz HUMYXPMPVCTKGI-KGYLQXTDSA-N 2 2 246.358 1.387 10 0 BDAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nccn3C3CC3)C[C@H]12 ZINC000711804087 712332000 /nfs/dbraw/zinc/33/20/00/712332000.db2.gz HUMYXPMPVCTKGI-KGYLQXTDSA-N 2 2 246.358 1.387 10 0 BDAELP C[C@H]1C[N@H+](Cc2scnc2Cl)C[C@@H]1C[NH3+] ZINC000713501977 712464008 /nfs/dbraw/zinc/46/40/08/712464008.db2.gz SJHMWEBVRNTKEE-YUMQZZPRSA-N 2 2 245.779 1.823 10 0 BDAELP C[C@H]1C[N@@H+](Cc2scnc2Cl)C[C@@H]1C[NH3+] ZINC000713501977 712464010 /nfs/dbraw/zinc/46/40/10/712464010.db2.gz SJHMWEBVRNTKEE-YUMQZZPRSA-N 2 2 245.779 1.823 10 0 BDAELP C[C@H]1C[N@H+](CCCC(C)(F)F)C[C@H]1[NH3+] ZINC000718721126 712778700 /nfs/dbraw/zinc/77/87/00/712778700.db2.gz DWNKIRZZNRWFIH-DTWKUNHWSA-N 2 2 206.280 1.701 10 0 BDAELP C[C@H]1C[N@@H+](CCCC(C)(F)F)C[C@H]1[NH3+] ZINC000718721126 712778702 /nfs/dbraw/zinc/77/87/02/712778702.db2.gz DWNKIRZZNRWFIH-DTWKUNHWSA-N 2 2 206.280 1.701 10 0 BDAELP CCc1nc(N(CC[NH2+]C)C(C)C)cc(C)[nH+]1 ZINC000720790362 712866034 /nfs/dbraw/zinc/86/60/34/712866034.db2.gz DYFJDQKMZMOUKB-UHFFFAOYSA-N 2 2 236.363 1.782 10 0 BDAELP CC(C)[C@H](C)[N@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720880689 712873741 /nfs/dbraw/zinc/87/37/41/712873741.db2.gz SDFNPIPWBLMACQ-DJLDLDEBSA-N 2 2 224.270 1.852 10 0 BDAELP CC(C)[C@H](C)[N@@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720880689 712873743 /nfs/dbraw/zinc/87/37/43/712873743.db2.gz SDFNPIPWBLMACQ-DJLDLDEBSA-N 2 2 224.270 1.852 10 0 BDAELP Cc1nc(N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc[nH+]1 ZINC000720894842 712876423 /nfs/dbraw/zinc/87/64/23/712876423.db2.gz VCQICJFGIQJMDJ-HTQZYQBOSA-N 2 2 246.236 1.111 10 0 BDAELP Cc1n[nH]c(C)c1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000120981797 398201501 /nfs/dbraw/zinc/20/15/01/398201501.db2.gz WKRFOJKONOMNFD-GFCCVEGCSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000120981797 398201502 /nfs/dbraw/zinc/20/15/02/398201502.db2.gz WKRFOJKONOMNFD-GFCCVEGCSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1n[nH]c(C)c1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000120981797 398201505 /nfs/dbraw/zinc/20/15/05/398201505.db2.gz WKRFOJKONOMNFD-GFCCVEGCSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1n[nH]c(C)c1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000120981797 398201508 /nfs/dbraw/zinc/20/15/08/398201508.db2.gz WKRFOJKONOMNFD-GFCCVEGCSA-N 2 2 236.363 1.410 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc3ccncc3c2)C1 ZINC000616612388 349517761 /nfs/dbraw/zinc/51/77/61/349517761.db2.gz NTNPMNWFRFUGPK-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc3ccncc3c2)C1 ZINC000616612388 349517764 /nfs/dbraw/zinc/51/77/64/349517764.db2.gz NTNPMNWFRFUGPK-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C2)C1(C)C ZINC000336894357 398217981 /nfs/dbraw/zinc/21/79/81/398217981.db2.gz LVPKOAAGURNIRL-RWMBFGLXSA-N 2 2 240.391 1.874 10 0 BDAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C2)C1(C)C ZINC000336894357 398217984 /nfs/dbraw/zinc/21/79/84/398217984.db2.gz LVPKOAAGURNIRL-RWMBFGLXSA-N 2 2 240.391 1.874 10 0 BDAELP C[N@@H+]1CCC[C@H]1Cn1c[nH+]c2c1CCCC2 ZINC000386867966 398221210 /nfs/dbraw/zinc/22/12/10/398221210.db2.gz KJWXMHQOPDLOSX-NSHDSACASA-N 2 2 219.332 1.856 10 0 BDAELP C[N@H+]1CCC[C@H]1Cn1c[nH+]c2c1CCCC2 ZINC000386867966 398221215 /nfs/dbraw/zinc/22/12/15/398221215.db2.gz KJWXMHQOPDLOSX-NSHDSACASA-N 2 2 219.332 1.856 10 0 BDAELP Cc1cc(N[C@@H](C[NH3+])Cc2ccccc2)nc[nH+]1 ZINC000104312909 178180978 /nfs/dbraw/zinc/18/09/78/178180978.db2.gz UWSWQZGZYSKDAF-CYBMUJFWSA-N 2 2 242.326 1.767 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccccn2)c[nH+]1 ZINC000177993397 538952575 /nfs/dbraw/zinc/95/25/75/538952575.db2.gz CDXNGXIAGFYKAT-CQSZACIVSA-N 2 2 242.326 1.943 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccccn2)c[nH+]1 ZINC000177993397 538952577 /nfs/dbraw/zinc/95/25/77/538952577.db2.gz CDXNGXIAGFYKAT-CQSZACIVSA-N 2 2 242.326 1.943 10 0 BDAELP C[NH+](C)[C@@]1([C@@H]([NH3+])c2ccccc2)CCOC1 ZINC000144433772 342737464 /nfs/dbraw/zinc/73/74/64/342737464.db2.gz ABTPSUXVLLEKGF-STQMWFEESA-N 2 2 220.316 1.407 10 0 BDAELP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CC[NH2+]C1 ZINC000335517781 398290236 /nfs/dbraw/zinc/29/02/36/398290236.db2.gz YTTFTTXQRCKFQS-WDEREUQCSA-N 2 2 234.368 1.827 10 0 BDAELP COc1ccc[nH+]c1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382447796 361936547 /nfs/dbraw/zinc/93/65/47/361936547.db2.gz BTCHRSPILQXBHN-ZJUUUORDSA-N 2 2 221.304 1.630 10 0 BDAELP CCC[NH2+]Cc1nc(C[NH+]2CCC2)cs1 ZINC000389421034 539016817 /nfs/dbraw/zinc/01/68/17/539016817.db2.gz YXFCAFYUPBQCFU-UHFFFAOYSA-N 2 2 225.361 1.848 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cnco2)C1 ZINC000616603798 398323848 /nfs/dbraw/zinc/32/38/48/398323848.db2.gz IHQCMSDXMDVRQP-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cnco2)C1 ZINC000616603798 398323850 /nfs/dbraw/zinc/32/38/50/398323850.db2.gz IHQCMSDXMDVRQP-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP C[NH+]1CCN(c2cc(Cl)cc(N)[nH+]2)CC1 ZINC000149197467 398345156 /nfs/dbraw/zinc/34/51/56/398345156.db2.gz RVZZSUIRMXPIOQ-UHFFFAOYSA-N 2 2 226.711 1.069 10 0 BDAELP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000305984395 259337329 /nfs/dbraw/zinc/33/73/29/259337329.db2.gz GAKAMPWGHNRZSY-QWHCGFSZSA-N 2 2 244.423 1.959 10 0 BDAELP C[NH+](C)[C@@]1([C@H]([NH3+])c2ccccc2)CCOC1 ZINC000144434175 343134768 /nfs/dbraw/zinc/13/47/68/343134768.db2.gz ABTPSUXVLLEKGF-OLZOCXBDSA-N 2 2 220.316 1.407 10 0 BDAELP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1COC1 ZINC000082487867 136276699 /nfs/dbraw/zinc/27/66/99/136276699.db2.gz OGOORIDIVGKPKV-NSHDSACASA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1COC1 ZINC000082487867 136276700 /nfs/dbraw/zinc/27/67/00/136276700.db2.gz OGOORIDIVGKPKV-NSHDSACASA-N 2 2 212.337 1.239 10 0 BDAELP COc1ccc([C@H]([NH3+])Cn2cc[nH+]c2)cc1 ZINC000038860472 343380763 /nfs/dbraw/zinc/38/07/63/343380763.db2.gz MRLHUMCSLSVAKU-GFCCVEGCSA-N 2 2 217.272 1.592 10 0 BDAELP C[C@@H]1CC[N@H+](C[Si](C)(C)C)C[C@H]1[NH3+] ZINC000401834538 343735873 /nfs/dbraw/zinc/73/58/73/343735873.db2.gz DKGROMFQRKJBTK-NXEZZACHSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C[C@H]1[NH3+] ZINC000401834538 343735875 /nfs/dbraw/zinc/73/58/75/343735875.db2.gz DKGROMFQRKJBTK-NXEZZACHSA-N 2 2 200.402 1.533 10 0 BDAELP CC1([NH2+]C[C@@H]2CSCC[NH2+]2)CCCC1 ZINC000127163215 343885004 /nfs/dbraw/zinc/88/50/04/343885004.db2.gz PNXARJSWOUZWJB-SNVBAGLBSA-N 2 2 214.378 1.614 10 0 BDAELP Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000092349823 344293790 /nfs/dbraw/zinc/29/37/90/344293790.db2.gz SZDFWSOLSBFMJA-NSHDSACASA-N 2 2 233.315 1.718 10 0 BDAELP CC(C)[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000132946267 344312798 /nfs/dbraw/zinc/31/27/98/344312798.db2.gz YOWCJGXHTLYWGU-VXGBXAGGSA-N 2 2 212.337 1.238 10 0 BDAELP CC(C)[NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000132946267 344312799 /nfs/dbraw/zinc/31/27/99/344312799.db2.gz YOWCJGXHTLYWGU-VXGBXAGGSA-N 2 2 212.337 1.238 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000220771970 344581008 /nfs/dbraw/zinc/58/10/08/344581008.db2.gz PFCAQOCCFCFEBA-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000220771970 344581012 /nfs/dbraw/zinc/58/10/12/344581012.db2.gz PFCAQOCCFCFEBA-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1CCn2cc([C@H]3CCC[NH2+]C3)[nH+]c2C1 ZINC000258176158 345780527 /nfs/dbraw/zinc/78/05/27/345780527.db2.gz DZQRCSTZIUNKGO-QWRGUYRKSA-N 2 2 219.332 1.932 10 0 BDAELP C[C@@]([NH3+])(C[NH3+])COc1ccc(F)c(F)c1 ZINC000219121854 345856860 /nfs/dbraw/zinc/85/68/60/345856860.db2.gz NIIVYAVIRMPYLZ-SNVBAGLBSA-N 2 2 216.231 1.020 10 0 BDAELP CCC[NH+](CCC)C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378717 537970723 /nfs/dbraw/zinc/97/07/23/537970723.db2.gz JTJZMFOBHJIMGP-CHWSQXEVSA-N 3 2 227.396 1.293 10 0 BDAELP Cc1cccc(NCCc2[nH+]ccn2C)[nH+]1 ZINC000040639638 179147220 /nfs/dbraw/zinc/14/72/20/179147220.db2.gz XJZHPCZZIAWUPO-UHFFFAOYSA-N 2 2 216.288 1.778 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000042966582 179184035 /nfs/dbraw/zinc/18/40/35/179184035.db2.gz STQODJPDBJWHLO-DZGCQCFKSA-N 2 2 248.370 1.699 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](CO)C2)c1 ZINC000042966582 179184039 /nfs/dbraw/zinc/18/40/39/179184039.db2.gz STQODJPDBJWHLO-DZGCQCFKSA-N 2 2 248.370 1.699 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@@H+](CCO)C(C)C)c1 ZINC000042967495 179184208 /nfs/dbraw/zinc/18/42/08/179184208.db2.gz KTJXMJHPTSFXKH-CQSZACIVSA-N 2 2 236.359 1.698 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@H+](CCO)C(C)C)c1 ZINC000042967495 179184211 /nfs/dbraw/zinc/18/42/11/179184211.db2.gz KTJXMJHPTSFXKH-CQSZACIVSA-N 2 2 236.359 1.698 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])n2cc[nH+]c2)c1 ZINC000042967741 179185065 /nfs/dbraw/zinc/18/50/65/179185065.db2.gz QYJKLPBGQIITFP-GFCCVEGCSA-N 2 2 201.273 1.740 10 0 BDAELP C[N@H+](CC(C)(C)C)[C@@H]1COCC[C@H]1[NH3+] ZINC000250696527 362816884 /nfs/dbraw/zinc/81/68/84/362816884.db2.gz MBDZARHMJLBJAS-NXEZZACHSA-N 2 2 200.326 1.081 10 0 BDAELP C[N@@H+](CC(C)(C)C)[C@@H]1COCC[C@H]1[NH3+] ZINC000250696527 362816890 /nfs/dbraw/zinc/81/68/90/362816890.db2.gz MBDZARHMJLBJAS-NXEZZACHSA-N 2 2 200.326 1.081 10 0 BDAELP Cc1cccc2c1OCCC[C@H]2[NH2+]CC[NH3+] ZINC000037713007 179221673 /nfs/dbraw/zinc/22/16/73/179221673.db2.gz WLZIFIMHPDTAEA-GFCCVEGCSA-N 2 2 220.316 1.757 10 0 BDAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[NH+]1CCC(O)CC1 ZINC000043033639 179327701 /nfs/dbraw/zinc/32/77/01/179327701.db2.gz XXEGIDCOVRQDOD-SWLSCSKDSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1nc2ccc(CCC[N@H+](C)CC[NH3+])cc2o1 ZINC000077418245 180090200 /nfs/dbraw/zinc/09/02/00/180090200.db2.gz MZVAYZQJQUCWCK-UHFFFAOYSA-N 2 2 247.342 1.959 10 0 BDAELP Cc1nc2ccc(CCC[N@@H+](C)CC[NH3+])cc2o1 ZINC000077418245 180090202 /nfs/dbraw/zinc/09/02/02/180090202.db2.gz MZVAYZQJQUCWCK-UHFFFAOYSA-N 2 2 247.342 1.959 10 0 BDAELP Cc1nc(N[C@H]2CCCC[C@@H]2[NH3+])cc[nH+]1 ZINC000054936777 180206002 /nfs/dbraw/zinc/20/60/02/180206002.db2.gz HWXJZVMQDNLOOJ-UWVGGRQHSA-N 2 2 206.293 1.467 10 0 BDAELP Cc1[nH+]ccn1CCN(CC[NH3+])C1CCCC1 ZINC000042428379 180252484 /nfs/dbraw/zinc/25/24/84/180252484.db2.gz NOSUFEIDJNMHJC-UHFFFAOYSA-N 2 2 236.363 1.395 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+](CCN)C1CCCC1 ZINC000042428379 180252486 /nfs/dbraw/zinc/25/24/86/180252486.db2.gz NOSUFEIDJNMHJC-UHFFFAOYSA-N 2 2 236.363 1.395 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+](CCN)C1CCCC1 ZINC000042428379 180252488 /nfs/dbraw/zinc/25/24/88/180252488.db2.gz NOSUFEIDJNMHJC-UHFFFAOYSA-N 2 2 236.363 1.395 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1Cc2cccc(N)c2C1 ZINC000049331016 180254651 /nfs/dbraw/zinc/25/46/51/180254651.db2.gz QJZXJCRLZVSALQ-UHFFFAOYSA-N 2 2 242.326 1.790 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1Cc2cccc(N)c2C1 ZINC000049331016 180254653 /nfs/dbraw/zinc/25/46/53/180254653.db2.gz QJZXJCRLZVSALQ-UHFFFAOYSA-N 2 2 242.326 1.790 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000104159232 180256788 /nfs/dbraw/zinc/25/67/88/180256788.db2.gz AVSFVSXBAUYPKX-WCQYABFASA-N 3 2 236.363 1.393 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1[C@@H](C[NH3+])CCC[C@@H]1C ZINC000104159232 180256789 /nfs/dbraw/zinc/25/67/89/180256789.db2.gz AVSFVSXBAUYPKX-WCQYABFASA-N 3 2 236.363 1.393 10 0 BDAELP Cc1csc(C[NH2+]C2CC[NH2+]CC2)n1 ZINC000038091163 350304444 /nfs/dbraw/zinc/30/44/44/350304444.db2.gz DIQMMRLGHAVWCL-UHFFFAOYSA-N 2 2 211.334 1.293 10 0 BDAELP Cc1[nH+]cn(-c2ccc(C[NH3+])cc2)c1C ZINC000051925514 180285947 /nfs/dbraw/zinc/28/59/47/180285947.db2.gz LBDHVUUXVGMHAK-UHFFFAOYSA-N 2 2 201.273 1.948 10 0 BDAELP Cc1nn(CCCn2cc[nH+]c2)c(C)c1C[NH3+] ZINC000049328881 180387513 /nfs/dbraw/zinc/38/75/13/180387513.db2.gz RBSHXERGKKHKFP-UHFFFAOYSA-N 2 2 233.319 1.245 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC000308112858 350520969 /nfs/dbraw/zinc/52/09/69/350520969.db2.gz QYEZPTNIQOPFCZ-MBACFSSFSA-N 2 2 202.729 1.813 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC000308112858 350520973 /nfs/dbraw/zinc/52/09/73/350520973.db2.gz QYEZPTNIQOPFCZ-MBACFSSFSA-N 2 2 202.729 1.813 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc2ccnnc21 ZINC000616608640 350805533 /nfs/dbraw/zinc/80/55/33/350805533.db2.gz YEXHHOIOFBJOBD-CYBMUJFWSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc2ccnnc21 ZINC000616608640 350805535 /nfs/dbraw/zinc/80/55/35/350805535.db2.gz YEXHHOIOFBJOBD-CYBMUJFWSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc2ccnnc21 ZINC000616608585 350805579 /nfs/dbraw/zinc/80/55/79/350805579.db2.gz YEXHHOIOFBJOBD-ZDUSSCGKSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc2ccnnc21 ZINC000616608585 350805580 /nfs/dbraw/zinc/80/55/80/350805580.db2.gz YEXHHOIOFBJOBD-ZDUSSCGKSA-N 2 2 242.326 1.725 10 0 BDAELP CC(=O)Nc1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616614889 350842100 /nfs/dbraw/zinc/84/21/00/350842100.db2.gz ZTZRQBRVJVMYEF-CYBMUJFWSA-N 2 2 247.342 1.393 10 0 BDAELP CC(=O)Nc1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616614889 350842103 /nfs/dbraw/zinc/84/21/03/350842103.db2.gz ZTZRQBRVJVMYEF-CYBMUJFWSA-N 2 2 247.342 1.393 10 0 BDAELP NC(=O)c1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616615462 350847099 /nfs/dbraw/zinc/84/70/99/350847099.db2.gz YUWJYWXQFQAEIB-CYBMUJFWSA-N 2 2 247.342 1.271 10 0 BDAELP NC(=O)c1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616615462 350847101 /nfs/dbraw/zinc/84/71/01/350847101.db2.gz YUWJYWXQFQAEIB-CYBMUJFWSA-N 2 2 247.342 1.271 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1csc(Br)c1 ZINC000306709189 350860109 /nfs/dbraw/zinc/86/01/09/350860109.db2.gz LLLPDNIJJSNFLR-RXMQYKEDSA-N 2 2 221.123 1.469 10 0 BDAELP [NH3+]CC[NH+]1CCC(c2ccc(CO)cc2)CC1 ZINC000616619158 350926862 /nfs/dbraw/zinc/92/68/62/350926862.db2.gz HKALXSOOZIYMBF-UHFFFAOYSA-N 2 2 234.343 1.317 10 0 BDAELP CC[N@H+](C)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000306769792 350998637 /nfs/dbraw/zinc/99/86/37/350998637.db2.gz AOMBCDICBMZYPE-ZDUSSCGKSA-N 2 2 222.332 1.089 10 0 BDAELP CC[N@@H+](C)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000306769792 350998640 /nfs/dbraw/zinc/99/86/40/350998640.db2.gz AOMBCDICBMZYPE-ZDUSSCGKSA-N 2 2 222.332 1.089 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccc3nnccc32)C1 ZINC000616626629 351106305 /nfs/dbraw/zinc/10/63/05/351106305.db2.gz UBNBZAGGWLVXMR-LLVKDONJSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccc3nnccc32)C1 ZINC000616626629 351106307 /nfs/dbraw/zinc/10/63/07/351106307.db2.gz UBNBZAGGWLVXMR-LLVKDONJSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc2nnccc21 ZINC000616632248 351110923 /nfs/dbraw/zinc/11/09/23/351110923.db2.gz LMSMOYHYEFJWOL-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc2nnccc21 ZINC000616632248 351110925 /nfs/dbraw/zinc/11/09/25/351110925.db2.gz LMSMOYHYEFJWOL-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccccn1 ZINC000616622907 351087732 /nfs/dbraw/zinc/08/77/32/351087732.db2.gz ACWRCODQVJOEOP-CYBMUJFWSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccccn1 ZINC000616622907 351087733 /nfs/dbraw/zinc/08/77/33/351087733.db2.gz ACWRCODQVJOEOP-CYBMUJFWSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccncn1 ZINC000616623764 351090393 /nfs/dbraw/zinc/09/03/93/351090393.db2.gz GRKZXBRIZOWMOH-GFCCVEGCSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccncn1 ZINC000616623764 351090397 /nfs/dbraw/zinc/09/03/97/351090397.db2.gz GRKZXBRIZOWMOH-GFCCVEGCSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccncc1 ZINC000616624595 351091971 /nfs/dbraw/zinc/09/19/71/351091971.db2.gz CBCZXRGSORLQCU-ZDUSSCGKSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccncc1 ZINC000616624595 351091975 /nfs/dbraw/zinc/09/19/75/351091975.db2.gz CBCZXRGSORLQCU-ZDUSSCGKSA-N 2 2 219.332 1.957 10 0 BDAELP CC(C)(C)[N@@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616661815 351210935 /nfs/dbraw/zinc/21/09/35/351210935.db2.gz YYKKWIBWMPIKET-NSHDSACASA-N 2 2 223.320 1.555 10 0 BDAELP CC(C)(C)[N@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616661815 351210937 /nfs/dbraw/zinc/21/09/37/351210937.db2.gz YYKKWIBWMPIKET-NSHDSACASA-N 2 2 223.320 1.555 10 0 BDAELP ClC1=CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404430131 351441068 /nfs/dbraw/zinc/44/10/68/351441068.db2.gz PXQCGBBUQXHJTE-SECBINFHSA-N 2 2 200.713 1.424 10 0 BDAELP ClC1=CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 ZINC000404430131 351441070 /nfs/dbraw/zinc/44/10/70/351441070.db2.gz PXQCGBBUQXHJTE-SECBINFHSA-N 2 2 200.713 1.424 10 0 BDAELP Cn1cc[nH+]c1Cn1c(N)[nH+]c2ccccc21 ZINC000075947882 180751025 /nfs/dbraw/zinc/75/10/25/180751025.db2.gz KPFDXXLIRWSIGQ-UHFFFAOYSA-N 2 2 227.271 1.400 10 0 BDAELP [NH3+]Cc1cnc(C[NH+]2CCCCC2)s1 ZINC000307425854 352593324 /nfs/dbraw/zinc/59/33/24/352593324.db2.gz PVBRWANEPVWKIU-UHFFFAOYSA-N 2 2 211.334 1.588 10 0 BDAELP CS[C@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])CC1 ZINC000300886066 352577617 /nfs/dbraw/zinc/57/76/17/352577617.db2.gz TWUSSWVRZNVOKZ-IUCAKERBSA-N 2 2 215.366 1.528 10 0 BDAELP CS[C@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])CC1 ZINC000300886066 352577620 /nfs/dbraw/zinc/57/76/20/352577620.db2.gz TWUSSWVRZNVOKZ-IUCAKERBSA-N 2 2 215.366 1.528 10 0 BDAELP [NH3+]CC[C@@H]([NH3+])c1ccc(Br)o1 ZINC000307513190 353080012 /nfs/dbraw/zinc/08/00/12/353080012.db2.gz YQWKRNVSDUZHCS-RXMQYKEDSA-N 2 2 219.082 1.391 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCOCC1 ZINC000037166631 188255369 /nfs/dbraw/zinc/25/53/69/188255369.db2.gz DYRLRTNHZSRGHW-CYBMUJFWSA-N 2 2 228.380 1.731 10 0 BDAELP CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250476245 188259359 /nfs/dbraw/zinc/25/93/59/188259359.db2.gz ALGKZHWYOUEXIA-NWDGAFQWSA-N 2 2 241.379 1.055 10 0 BDAELP CC(C)N(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250476245 188259360 /nfs/dbraw/zinc/25/93/60/188259360.db2.gz ALGKZHWYOUEXIA-NWDGAFQWSA-N 2 2 241.379 1.055 10 0 BDAELP CC(C)N(C)C(=O)C[N@@H+]1[C@@H](C)CCC[C@H]1C[NH3+] ZINC000104157032 188323878 /nfs/dbraw/zinc/32/38/78/188323878.db2.gz YTMNOYPAWRCGCC-RYUDHWBXSA-N 2 2 241.379 1.055 10 0 BDAELP CC(C)N(C)C(=O)C[N@H+]1[C@@H](C)CCC[C@H]1C[NH3+] ZINC000104157032 188323880 /nfs/dbraw/zinc/32/38/80/188323880.db2.gz YTMNOYPAWRCGCC-RYUDHWBXSA-N 2 2 241.379 1.055 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223222784 353368413 /nfs/dbraw/zinc/36/84/13/353368413.db2.gz DHVNHEYXIXLLNA-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000223222784 353368414 /nfs/dbraw/zinc/36/84/14/353368414.db2.gz DHVNHEYXIXLLNA-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)COC(C)C)C1 ZINC000336774977 353429184 /nfs/dbraw/zinc/42/91/84/353429184.db2.gz XRHZJXMVYQQRST-OLZOCXBDSA-N 2 2 228.380 1.874 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)COC(C)C)C1 ZINC000336774977 353429185 /nfs/dbraw/zinc/42/91/85/353429185.db2.gz XRHZJXMVYQQRST-OLZOCXBDSA-N 2 2 228.380 1.874 10 0 BDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccncc1 ZINC000399045223 353741630 /nfs/dbraw/zinc/74/16/30/353741630.db2.gz UINYZOQZLVTDCL-LBPRGKRZSA-N 2 2 249.358 1.189 10 0 BDAELP CCN1CCC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000040502073 358492790 /nfs/dbraw/zinc/49/27/90/358492790.db2.gz LNYUDHTWTDOXCO-CQSZACIVSA-N 2 2 239.407 1.545 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335830023 355556033 /nfs/dbraw/zinc/55/60/33/355556033.db2.gz HZLLMVJSDYBCJM-NEPJUHHUSA-N 2 2 236.363 1.633 10 0 BDAELP CC(C)n1ccnc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335830023 355556035 /nfs/dbraw/zinc/55/60/35/355556035.db2.gz HZLLMVJSDYBCJM-NEPJUHHUSA-N 2 2 236.363 1.633 10 0 BDAELP CC(C)n1ccnc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000335830023 355556038 /nfs/dbraw/zinc/55/60/38/355556038.db2.gz HZLLMVJSDYBCJM-NEPJUHHUSA-N 2 2 236.363 1.633 10 0 BDAELP [NH2+]=C1c2ccccc2CN1CCn1cc[nH+]c1 ZINC000042541540 181208306 /nfs/dbraw/zinc/20/83/06/181208306.db2.gz UCEOKWHVGVZTFR-UHFFFAOYSA-N 2 2 226.283 1.724 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000226393789 355861602 /nfs/dbraw/zinc/86/16/02/355861602.db2.gz LIROYOBWLHVZQW-NXEZZACHSA-N 2 2 232.418 1.258 10 0 BDAELP C[C@@H]1CSCC[N@H+]1[C@@]1(C[NH3+])CCSC1 ZINC000226393789 355861606 /nfs/dbraw/zinc/86/16/06/355861606.db2.gz LIROYOBWLHVZQW-NXEZZACHSA-N 2 2 232.418 1.258 10 0 BDAELP C[C@@H]1CC[C@@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000336033820 134059120 /nfs/dbraw/zinc/05/91/20/134059120.db2.gz MRRLCRTTZPOTEW-CHWSQXEVSA-N 2 2 248.374 1.731 10 0 BDAELP [NH3+][C@H]1C=C(c2c(F)cccc2F)C[NH2+]C1 ZINC000675077656 538513776 /nfs/dbraw/zinc/51/37/76/538513776.db2.gz GYUXVFPUTKFUCS-QMMMGPOBSA-N 2 2 210.227 1.279 10 0 BDAELP [NH3+][C@@H]1C=C(c2cc(F)cc(F)c2)C[NH2+]C1 ZINC000675077529 538513959 /nfs/dbraw/zinc/51/39/59/538513959.db2.gz FZRWAPRTBALPOE-LLVKDONJSA-N 2 2 210.227 1.279 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccc(F)cc2F)C[NH2+]C1 ZINC000675078347 538515520 /nfs/dbraw/zinc/51/55/20/538515520.db2.gz OWVQDNNJBJYPPL-SECBINFHSA-N 2 2 210.227 1.279 10 0 BDAELP [NH3+][C@H]1C=C(c2cccc(Cl)c2)C[NH2+]C1 ZINC000675078790 538515776 /nfs/dbraw/zinc/51/57/76/538515776.db2.gz SOCGLLGQJBUXDM-NSHDSACASA-N 2 2 208.692 1.654 10 0 BDAELP [NH3+][C@H]1C=C(c2c(F)cccc2Cl)C[NH2+]C1 ZINC000675078254 538516319 /nfs/dbraw/zinc/51/63/19/538516319.db2.gz OFTJCDUQDWHNON-QMMMGPOBSA-N 2 2 226.682 1.793 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccc(F)c(Cl)c2)C[NH2+]C1 ZINC000675079085 538518106 /nfs/dbraw/zinc/51/81/06/538518106.db2.gz VSRMRWCNXZDPIV-SECBINFHSA-N 2 2 226.682 1.793 10 0 BDAELP Cc1ccc(C)c(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675077408 538512751 /nfs/dbraw/zinc/51/27/51/538512751.db2.gz DSRWXJNBTMAJNG-GFCCVEGCSA-N 2 2 202.301 1.617 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385218952 357017294 /nfs/dbraw/zinc/01/72/94/357017294.db2.gz GFXBNDADPAPSSF-HYHWUIIZSA-N 2 2 202.729 1.670 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385218952 357017297 /nfs/dbraw/zinc/01/72/97/357017297.db2.gz GFXBNDADPAPSSF-HYHWUIIZSA-N 2 2 202.729 1.670 10 0 BDAELP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(O)cc1 ZINC000026443238 357121522 /nfs/dbraw/zinc/12/15/22/357121522.db2.gz MEBCLOVKYLOCTL-LBPRGKRZSA-N 2 2 208.305 1.734 10 0 BDAELP CCC(CC)C[NH2+]C[C@H]1C[N@H+](CC)CCO1 ZINC000159262938 538876388 /nfs/dbraw/zinc/87/63/88/538876388.db2.gz MRUFTSHHVAFXQZ-ZDUSSCGKSA-N 2 2 228.380 1.733 10 0 BDAELP CCC(CC)C[NH2+]C[C@H]1C[N@@H+](CC)CCO1 ZINC000159262938 538876390 /nfs/dbraw/zinc/87/63/90/538876390.db2.gz MRUFTSHHVAFXQZ-ZDUSSCGKSA-N 2 2 228.380 1.733 10 0 BDAELP CC[C@@H]1CC[C@@H](CC[NH+]2CCOCC2)[N@H+](C)C1 ZINC000584607091 358267344 /nfs/dbraw/zinc/26/73/44/358267344.db2.gz BAJZBVGOCVSYOU-KGLIPLIRSA-N 2 2 240.391 1.829 10 0 BDAELP CC[C@@H]1CC[C@@H](CC[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000584607091 358267346 /nfs/dbraw/zinc/26/73/46/358267346.db2.gz BAJZBVGOCVSYOU-KGLIPLIRSA-N 2 2 240.391 1.829 10 0 BDAELP [NH3+][C@@]1(c2ccc(Br)cc2)CC[NH2+]C1 ZINC000584633987 358317847 /nfs/dbraw/zinc/31/78/47/358317847.db2.gz VKWLCFQDOOUHKT-JTQLQIEISA-N 2 2 241.132 1.596 10 0 BDAELP C[NH+]1CCN(c2cc3[nH+]c[nH]c3cc2F)CC1 ZINC000584638411 358323800 /nfs/dbraw/zinc/32/38/00/358323800.db2.gz STMURRJGYRLRNR-UHFFFAOYSA-N 2 2 234.278 1.454 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CCS[C@@H]2C)C1 ZINC000300353963 358971376 /nfs/dbraw/zinc/97/13/76/358971376.db2.gz ZYTKBFURDCHCKB-BBBLOLIVSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCS[C@@H]2C)C1 ZINC000300353963 358971379 /nfs/dbraw/zinc/97/13/79/358971379.db2.gz ZYTKBFURDCHCKB-BBBLOLIVSA-N 2 2 200.351 1.174 10 0 BDAELP c1cn(CC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000246683789 359156557 /nfs/dbraw/zinc/15/65/57/359156557.db2.gz VZJIRAXQBIIDAD-CHWSQXEVSA-N 2 2 235.331 1.527 10 0 BDAELP c1cn(CC[N@H+]2CCO[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000246683789 359156561 /nfs/dbraw/zinc/15/65/61/359156561.db2.gz VZJIRAXQBIIDAD-CHWSQXEVSA-N 2 2 235.331 1.527 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000247209001 359201815 /nfs/dbraw/zinc/20/18/15/359201815.db2.gz VPXIDSCNRCACQX-MQYQWHSLSA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000247209001 359201822 /nfs/dbraw/zinc/20/18/22/359201822.db2.gz VPXIDSCNRCACQX-MQYQWHSLSA-N 2 2 240.391 1.730 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CSC[C@H]2C)C1 ZINC000306410285 359795828 /nfs/dbraw/zinc/79/58/28/359795828.db2.gz RAWFRSFTMPVAPY-OPRDCNLKSA-N 2 2 200.351 1.032 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CSC[C@H]2C)C1 ZINC000306410285 359795834 /nfs/dbraw/zinc/79/58/34/359795834.db2.gz RAWFRSFTMPVAPY-OPRDCNLKSA-N 2 2 200.351 1.032 10 0 BDAELP c1ccc(N2CCC([NH2+]C3COC3)CC2)[nH+]c1 ZINC000094710215 360315870 /nfs/dbraw/zinc/31/58/70/360315870.db2.gz BGZXLJIMKYOADK-UHFFFAOYSA-N 2 2 233.315 1.039 10 0 BDAELP CC[C@@H]1CS[C@](C)([C@H]2CCC[NH2+]2)[NH2+]1 ZINC000306580292 360470903 /nfs/dbraw/zinc/47/09/03/360470903.db2.gz OHPYRPYSVNIQET-OPRDCNLKSA-N 2 2 200.351 1.570 10 0 BDAELP [NH3+][C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccs1 ZINC000069800133 360558974 /nfs/dbraw/zinc/55/89/74/360558974.db2.gz HUUZMJDCQIUYEV-ONGXEEELSA-N 2 2 208.330 1.985 10 0 BDAELP [NH3+][C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccs1 ZINC000069800133 360558979 /nfs/dbraw/zinc/55/89/79/360558979.db2.gz HUUZMJDCQIUYEV-ONGXEEELSA-N 2 2 208.330 1.985 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCSCC[C@H]1C ZINC000306626346 361292649 /nfs/dbraw/zinc/29/26/49/361292649.db2.gz HPWFSEJBHNMVFZ-SFYZADRCSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCSCC[C@H]1C ZINC000306626346 361292653 /nfs/dbraw/zinc/29/26/53/361292653.db2.gz HPWFSEJBHNMVFZ-SFYZADRCSA-N 2 2 201.339 1.138 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccncc2C)[C@@](C)(C[NH3+])C1 ZINC000630366457 364086239 /nfs/dbraw/zinc/08/62/39/364086239.db2.gz KQTIYVLMJIEPCF-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccncc2C)[C@@](C)(C[NH3+])C1 ZINC000630366457 364086242 /nfs/dbraw/zinc/08/62/42/364086242.db2.gz KQTIYVLMJIEPCF-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP COc1ccc[nH+]c1NCCC[NH2+]C(C)C ZINC000630509100 364194588 /nfs/dbraw/zinc/19/45/88/364194588.db2.gz VANNGCAHSGZHII-UHFFFAOYSA-N 2 2 223.320 1.890 10 0 BDAELP C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C[NH3+] ZINC000630575023 364273711 /nfs/dbraw/zinc/27/37/11/364273711.db2.gz WTIYIBPHOVUBCA-NXEZZACHSA-N 2 2 230.315 1.594 10 0 BDAELP CCc1nc(C[NH2+]CC[C@@H](C)[NH3+])cs1 ZINC000336891804 364790258 /nfs/dbraw/zinc/79/02/58/364790258.db2.gz JAAGRQXLYQMSPN-MRVPVSSYSA-N 2 2 213.350 1.532 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000238583809 181391652 /nfs/dbraw/zinc/39/16/52/181391652.db2.gz NHEIEOZGDIISLY-SECBINFHSA-N 2 2 211.334 1.281 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000238583809 181391654 /nfs/dbraw/zinc/39/16/54/181391654.db2.gz NHEIEOZGDIISLY-SECBINFHSA-N 2 2 211.334 1.281 10 0 BDAELP CCCC[N@H+](C)[C@@H](C[NH3+])c1ccncc1 ZINC000032021209 168784285 /nfs/dbraw/zinc/78/42/85/168784285.db2.gz FMEADUDWTRFVLH-LBPRGKRZSA-N 2 2 207.321 1.813 10 0 BDAELP CCCC[N@@H+](C)[C@@H](C[NH3+])c1ccncc1 ZINC000032021209 168784287 /nfs/dbraw/zinc/78/42/87/168784287.db2.gz FMEADUDWTRFVLH-LBPRGKRZSA-N 2 2 207.321 1.813 10 0 BDAELP [NH3+]CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037713024 181396383 /nfs/dbraw/zinc/39/63/83/181396383.db2.gz GLQZMDVJUFKQJV-LLVKDONJSA-N 2 2 208.330 1.523 10 0 BDAELP [NH3+]CCNc1[nH+]ccc2cc3c(cc21)OCO3 ZINC000082766392 181398517 /nfs/dbraw/zinc/39/85/17/181398517.db2.gz QIMRXTIOIKQGPS-UHFFFAOYSA-N 2 2 231.255 1.334 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005731 367231368 /nfs/dbraw/zinc/23/13/68/367231368.db2.gz DWBFIUFFKWRDOI-RWMBFGLXSA-N 3 2 239.407 1.447 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005731 367231375 /nfs/dbraw/zinc/23/13/75/367231375.db2.gz DWBFIUFFKWRDOI-RWMBFGLXSA-N 3 2 239.407 1.447 10 0 BDAELP CC[C@H]1CN(c2[nH+]cccc2OC)CC[C@H]1[NH3+] ZINC000252764317 368053263 /nfs/dbraw/zinc/05/32/63/368053263.db2.gz FGXRXWLZZUQSJG-WDEREUQCSA-N 2 2 235.331 1.654 10 0 BDAELP CC[NH+](CC)CCOc1ccc(N)[nH+]c1 ZINC000040239932 368330630 /nfs/dbraw/zinc/33/06/30/368330630.db2.gz HFODYROKHUKBFE-UHFFFAOYSA-N 2 2 209.293 1.384 10 0 BDAELP C[C@H](C[N@H+](C)Cc1noc(C[NH3+])n1)C(C)(C)C ZINC000399746464 368542322 /nfs/dbraw/zinc/54/23/22/368542322.db2.gz RVGPXXDBPPMUOX-SECBINFHSA-N 2 2 240.351 1.642 10 0 BDAELP C[C@H](C[N@@H+](C)Cc1noc(C[NH3+])n1)C(C)(C)C ZINC000399746464 368542328 /nfs/dbraw/zinc/54/23/28/368542328.db2.gz RVGPXXDBPPMUOX-SECBINFHSA-N 2 2 240.351 1.642 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000111043711 368846547 /nfs/dbraw/zinc/84/65/47/368846547.db2.gz MTJADAKZQJFRSB-NSHDSACASA-N 2 2 233.315 1.718 10 0 BDAELP CCc1nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839984 369193046 /nfs/dbraw/zinc/19/30/46/369193046.db2.gz NQLVHZRQJKEQLO-ZJUUUORDSA-N 2 2 239.388 1.732 10 0 BDAELP CCc1nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839984 369193050 /nfs/dbraw/zinc/19/30/50/369193050.db2.gz NQLVHZRQJKEQLO-ZJUUUORDSA-N 2 2 239.388 1.732 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCSC[C@@H]1C ZINC000226403076 371662138 /nfs/dbraw/zinc/66/21/38/371662138.db2.gz OPBGRSYPHXHKTQ-VHSXEESVSA-N 2 2 202.367 1.407 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1CCSC[C@@H]1C ZINC000226403076 371662144 /nfs/dbraw/zinc/66/21/44/371662144.db2.gz OPBGRSYPHXHKTQ-VHSXEESVSA-N 2 2 202.367 1.407 10 0 BDAELP CC[C@@H]1CS[C@@]2(C[NH2+]C[C@H](C)C2)[NH2+]1 ZINC000401709550 371800347 /nfs/dbraw/zinc/80/03/47/371800347.db2.gz UUZPWTRIOYYPHQ-BBBLOLIVSA-N 2 2 200.351 1.427 10 0 BDAELP C[C@@H]1C[NH2+][C@](C)([C@H]2CCCC[NH2+]2)S1 ZINC000306801552 372068629 /nfs/dbraw/zinc/06/86/29/372068629.db2.gz RFIFAQOAFVZLRO-BBBLOLIVSA-N 2 2 200.351 1.570 10 0 BDAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000038827559 372782716 /nfs/dbraw/zinc/78/27/16/372782716.db2.gz GRRQYLNXNLVXJM-SNVBAGLBSA-N 2 2 231.255 1.312 10 0 BDAELP O[C@H]1CCCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541192 183231711 /nfs/dbraw/zinc/23/17/11/183231711.db2.gz JKIYNILVZABBPJ-RYUDHWBXSA-N 2 2 223.320 1.166 10 0 BDAELP CCC[NH+]1CCC([N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000049714184 169186747 /nfs/dbraw/zinc/18/67/47/169186747.db2.gz PCCOZNZIRWIQDA-QWHCGFSZSA-N 3 2 239.407 1.672 10 0 BDAELP CCC[NH+]1CCC([N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000049714184 169186748 /nfs/dbraw/zinc/18/67/48/169186748.db2.gz PCCOZNZIRWIQDA-QWHCGFSZSA-N 3 2 239.407 1.672 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655937 169209173 /nfs/dbraw/zinc/20/91/73/169209173.db2.gz XMOZGVBWDAJKOY-STQMWFEESA-N 2 2 226.364 1.582 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655937 169209175 /nfs/dbraw/zinc/20/91/75/169209175.db2.gz XMOZGVBWDAJKOY-STQMWFEESA-N 2 2 226.364 1.582 10 0 BDAELP CCC[NH2+]Cc1nccn1Cc1[nH+]ccn1C ZINC000051005346 169269102 /nfs/dbraw/zinc/26/91/02/169269102.db2.gz WGGUXAXJFDYAIB-UHFFFAOYSA-N 2 2 233.319 1.165 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(Br)cs1 ZINC000035676958 384089591 /nfs/dbraw/zinc/08/95/91/384089591.db2.gz NIRWEDKDQXTIRK-YFKPBYRVSA-N 2 2 221.123 1.469 10 0 BDAELP CC[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000036232348 384186328 /nfs/dbraw/zinc/18/63/28/384186328.db2.gz FQGMQPPPSKRDOW-NXEZZACHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@@H]([NH3+])[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000036232348 384186330 /nfs/dbraw/zinc/18/63/30/384186330.db2.gz FQGMQPPPSKRDOW-NXEZZACHSA-N 2 2 200.326 1.223 10 0 BDAELP CN(C[C@@H]1CCC[NH2+]C1)c1cccc[nH+]1 ZINC000095071086 384339367 /nfs/dbraw/zinc/33/93/67/384339367.db2.gz LPTFKVGSRCDFEP-LLVKDONJSA-N 2 2 205.305 1.517 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072562 384343139 /nfs/dbraw/zinc/34/31/39/384343139.db2.gz JLPVUXBVGNMCNG-VIFPVBQESA-N 2 2 240.738 1.301 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)n2)C1 ZINC000095072562 384343144 /nfs/dbraw/zinc/34/31/44/384343144.db2.gz JLPVUXBVGNMCNG-VIFPVBQESA-N 2 2 240.738 1.301 10 0 BDAELP C[NH2+][C@H](CCO)C1C[NH+](Cc2ccccc2)C1 ZINC000095075737 384349961 /nfs/dbraw/zinc/34/99/61/384349961.db2.gz PQVDJYURGZXFJL-CQSZACIVSA-N 2 2 234.343 1.089 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCSC1)C2 ZINC000308829964 384328033 /nfs/dbraw/zinc/32/80/33/384328033.db2.gz ADJQVXZANAYDDZ-DTWKUNHWSA-N 2 2 223.345 1.362 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000308829964 384328036 /nfs/dbraw/zinc/32/80/36/384328036.db2.gz ADJQVXZANAYDDZ-DTWKUNHWSA-N 2 2 223.345 1.362 10 0 BDAELP Cc1scc(C[NH2+][C@H]2CC[NH2+]C2)c1C ZINC000306889144 384692351 /nfs/dbraw/zinc/69/23/51/384692351.db2.gz SUJPTHCFWVTLKY-NSHDSACASA-N 2 2 210.346 1.816 10 0 BDAELP Cc1ccc(F)c([C@@H]([NH3+])C[NH3+])c1Cl ZINC000072200606 384816783 /nfs/dbraw/zinc/81/67/83/384816783.db2.gz XPEDMZYDBARQAO-ZETCQYMHSA-N 2 2 202.660 1.746 10 0 BDAELP c1cnn(CC[N@H+](C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000310047527 384787075 /nfs/dbraw/zinc/78/70/75/384787075.db2.gz VSBONKBOKCEBHP-LBPRGKRZSA-N 2 2 234.347 1.100 10 0 BDAELP c1cnn(CC[N@@H+](C[C@@H]2CCC[NH2+]2)C2CC2)c1 ZINC000310047527 384787080 /nfs/dbraw/zinc/78/70/80/384787080.db2.gz VSBONKBOKCEBHP-LBPRGKRZSA-N 2 2 234.347 1.100 10 0 BDAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc[nH+]c(C)n1 ZINC000174924288 384849894 /nfs/dbraw/zinc/84/98/94/384849894.db2.gz RRBQDKASORYAHX-CHWSQXEVSA-N 2 2 246.358 1.848 10 0 BDAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1cc[nH+]c(C)n1 ZINC000174924288 384849902 /nfs/dbraw/zinc/84/99/02/384849902.db2.gz RRBQDKASORYAHX-CHWSQXEVSA-N 2 2 246.358 1.848 10 0 BDAELP CC1([NH3+])CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000643029410 385524699 /nfs/dbraw/zinc/52/46/99/385524699.db2.gz ULNBZYQPQQEOEV-UHFFFAOYSA-N 2 2 230.315 1.881 10 0 BDAELP Cc1cn[nH]c1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000335448779 386517837 /nfs/dbraw/zinc/51/78/37/386517837.db2.gz SFCYMYPXCKFZJT-NSHDSACASA-N 2 2 222.336 1.292 10 0 BDAELP Cc1cn[nH]c1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000335448779 386517842 /nfs/dbraw/zinc/51/78/42/386517842.db2.gz SFCYMYPXCKFZJT-NSHDSACASA-N 2 2 222.336 1.292 10 0 BDAELP Cc1c[nH]nc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000335448779 386517844 /nfs/dbraw/zinc/51/78/44/386517844.db2.gz SFCYMYPXCKFZJT-NSHDSACASA-N 2 2 222.336 1.292 10 0 BDAELP Cc1c[nH]nc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000335448779 386517849 /nfs/dbraw/zinc/51/78/49/386517849.db2.gz SFCYMYPXCKFZJT-NSHDSACASA-N 2 2 222.336 1.292 10 0 BDAELP C[C@@H]1CC[NH2+][C@]2(CCC[NH2+]CC2)S1 ZINC000575577479 387036139 /nfs/dbraw/zinc/03/61/39/387036139.db2.gz ZAGHNZMZBMKXBL-NXEZZACHSA-N 2 2 200.351 1.571 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000246348095 387076659 /nfs/dbraw/zinc/07/66/59/387076659.db2.gz HPQQGLOZXNUSJJ-CHWSQXEVSA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](COC)C(C)C)C1 ZINC000246348095 387076664 /nfs/dbraw/zinc/07/66/64/387076664.db2.gz HPQQGLOZXNUSJJ-CHWSQXEVSA-N 2 2 228.380 1.731 10 0 BDAELP Cc1cnc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)s1 ZINC000514854851 387297801 /nfs/dbraw/zinc/29/78/01/387297801.db2.gz ZZNQEAITUSKOGW-MNOVXSKESA-N 2 2 239.388 1.929 10 0 BDAELP C[C@@]12C[NH2+]C[C@@H]1C[N@H+](C/C=C/Cl)C2 ZINC000575559716 387700754 /nfs/dbraw/zinc/70/07/54/387700754.db2.gz WZYHCOVTIWEQTB-NBYFHADBSA-N 2 2 200.713 1.280 10 0 BDAELP C[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C/C=C/Cl)C2 ZINC000575559716 387700758 /nfs/dbraw/zinc/70/07/58/387700758.db2.gz WZYHCOVTIWEQTB-NBYFHADBSA-N 2 2 200.713 1.280 10 0 BDAELP COCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515974 387922999 /nfs/dbraw/zinc/92/29/99/387922999.db2.gz ZOJKGTHRXNJWBT-CYBMUJFWSA-N 2 2 249.358 1.852 10 0 BDAELP COCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515974 387923001 /nfs/dbraw/zinc/92/30/01/387923001.db2.gz ZOJKGTHRXNJWBT-CYBMUJFWSA-N 2 2 249.358 1.852 10 0 BDAELP CC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245745328 387981319 /nfs/dbraw/zinc/98/13/19/387981319.db2.gz XWXTVKVYMMQAAL-WCQYABFASA-N 2 2 235.331 1.745 10 0 BDAELP CC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245745328 387981322 /nfs/dbraw/zinc/98/13/22/387981322.db2.gz XWXTVKVYMMQAAL-WCQYABFASA-N 2 2 235.331 1.745 10 0 BDAELP CC[C@H]([NH3+])c1nc2c(s1)C[N@H+](C)CC2 ZINC000041059264 387984792 /nfs/dbraw/zinc/98/47/92/387984792.db2.gz KGONCQJJNGPCTH-ZETCQYMHSA-N 2 2 211.334 1.541 10 0 BDAELP CC[C@H]([NH3+])c1nc2c(s1)C[N@@H+](C)CC2 ZINC000041059264 387984795 /nfs/dbraw/zinc/98/47/95/387984795.db2.gz KGONCQJJNGPCTH-ZETCQYMHSA-N 2 2 211.334 1.541 10 0 BDAELP CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000085436981 388088246 /nfs/dbraw/zinc/08/82/46/388088246.db2.gz UTXRUZGBJKLEKG-LLVKDONJSA-N 2 2 249.362 1.439 10 0 BDAELP CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000085436981 388088247 /nfs/dbraw/zinc/08/82/47/388088247.db2.gz UTXRUZGBJKLEKG-LLVKDONJSA-N 2 2 249.362 1.439 10 0 BDAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]cn1C ZINC000245584167 388591424 /nfs/dbraw/zinc/59/14/24/388591424.db2.gz DKNHJPYAVYFDDJ-OLZOCXBDSA-N 2 2 248.374 1.479 10 0 BDAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]cn1C ZINC000245584167 388591426 /nfs/dbraw/zinc/59/14/26/388591426.db2.gz DKNHJPYAVYFDDJ-OLZOCXBDSA-N 2 2 248.374 1.479 10 0 BDAELP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CSCC[NH2+]2)C1 ZINC000253628438 388621144 /nfs/dbraw/zinc/62/11/44/388621144.db2.gz XMVATCYKQJRGSV-VWYCJHECSA-N 2 2 214.378 1.470 10 0 BDAELP C[C@H]1CCCCN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396144 132360035 /nfs/dbraw/zinc/36/00/35/132360035.db2.gz YXXRNGCSOVKQTC-JTQLQIEISA-N 2 2 205.305 1.919 10 0 BDAELP CCc1nc(N2CCC([NH3+])CC2)c(C)c(CC)[nH+]1 ZINC000045951027 132299292 /nfs/dbraw/zinc/29/92/92/132299292.db2.gz ALWLQRONEKNDEI-UHFFFAOYSA-N 2 2 248.374 1.837 10 0 BDAELP CC(C)CC[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035081343 132337680 /nfs/dbraw/zinc/33/76/80/132337680.db2.gz GKVNLRJKRFXNLX-UHFFFAOYSA-N 2 2 248.374 1.832 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249242995 135035787 /nfs/dbraw/zinc/03/57/87/135035787.db2.gz DIANSCLMPCDHTI-MQYQWHSLSA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249242995 135035788 /nfs/dbraw/zinc/03/57/88/135035788.db2.gz DIANSCLMPCDHTI-MQYQWHSLSA-N 2 2 240.391 1.730 10 0 BDAELP [NH3+]Cc1nc(C[NH+]2CCCCCCC2)no1 ZINC000261534824 135167554 /nfs/dbraw/zinc/16/75/54/135167554.db2.gz UMKMIERHXGMKRE-UHFFFAOYSA-N 2 2 224.308 1.294 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261549589 135188038 /nfs/dbraw/zinc/18/80/38/135188038.db2.gz KRJAQMZWIPIDFJ-CYBMUJFWSA-N 2 2 235.306 1.406 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261549589 135188040 /nfs/dbraw/zinc/18/80/40/135188040.db2.gz KRJAQMZWIPIDFJ-CYBMUJFWSA-N 2 2 235.306 1.406 10 0 BDAELP CC1(C)C[N@H+](Cc2cncc(F)c2)CC[C@@H]1[NH3+] ZINC000261552989 135191629 /nfs/dbraw/zinc/19/16/29/135191629.db2.gz NOMBHLBXGKUXJR-LBPRGKRZSA-N 2 2 237.322 1.780 10 0 BDAELP CC1(C)C[N@@H+](Cc2cncc(F)c2)CC[C@@H]1[NH3+] ZINC000261552989 135191630 /nfs/dbraw/zinc/19/16/30/135191630.db2.gz NOMBHLBXGKUXJR-LBPRGKRZSA-N 2 2 237.322 1.780 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261552679 135191890 /nfs/dbraw/zinc/19/18/90/135191890.db2.gz NELSVRCROAVNAI-WCQYABFASA-N 2 2 235.306 1.405 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261552679 135191891 /nfs/dbraw/zinc/19/18/91/135191891.db2.gz NELSVRCROAVNAI-WCQYABFASA-N 2 2 235.306 1.405 10 0 BDAELP Cc1cnn(CC[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000261556787 135196862 /nfs/dbraw/zinc/19/68/62/135196862.db2.gz RBRGEDCHGVXBNS-WCQYABFASA-N 2 2 236.363 1.251 10 0 BDAELP Cc1cnn(CC[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000261556787 135196863 /nfs/dbraw/zinc/19/68/63/135196863.db2.gz RBRGEDCHGVXBNS-WCQYABFASA-N 2 2 236.363 1.251 10 0 BDAELP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000166113524 136070921 /nfs/dbraw/zinc/07/09/21/136070921.db2.gz RVVRUBUBZUECKY-UPJWGTAASA-N 2 2 228.380 1.778 10 0 BDAELP C[C@H](CC1CC1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166125326 136072565 /nfs/dbraw/zinc/07/25/65/136072565.db2.gz GTPVCRONFAEWFP-NQBHXWOUSA-N 2 2 226.364 1.532 10 0 BDAELP Cc1[nH]c(CN(C)C[C@H]2CC[N@H+](C)C2)[nH+]c1C ZINC000628243144 397731857 /nfs/dbraw/zinc/73/18/57/397731857.db2.gz FKOOXNMZGHKQFQ-LBPRGKRZSA-N 2 2 236.363 1.410 10 0 BDAELP Cc1[nH]c(CN(C)C[C@H]2CC[N@@H+](C)C2)[nH+]c1C ZINC000628243144 397731861 /nfs/dbraw/zinc/73/18/61/397731861.db2.gz FKOOXNMZGHKQFQ-LBPRGKRZSA-N 2 2 236.363 1.410 10 0 BDAELP Cn1cncc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000179271532 397852611 /nfs/dbraw/zinc/85/26/11/397852611.db2.gz HTQWKNRDBUZMIG-LBPRGKRZSA-N 2 2 245.330 1.281 10 0 BDAELP CC(C)c1nc(N2CC[C@H]([NH+](C)C)C2)cc[nH+]1 ZINC000110535006 397902740 /nfs/dbraw/zinc/90/27/40/397902740.db2.gz OBCFGWPKCCGYLW-NSHDSACASA-N 2 2 234.347 1.740 10 0 BDAELP CC(C)(C[NH2+][C@H]1CC[NH2+]C1)c1cccnc1 ZINC000258815547 322876546 /nfs/dbraw/zinc/87/65/46/322876546.db2.gz CRWIFTGZURQQOI-LBPRGKRZSA-N 2 2 219.332 1.311 10 0 BDAELP CC(C)[C@H]([NH3+])CCNc1[nH+]cnc2c1cnn2C ZINC000663276029 410092252 /nfs/dbraw/zinc/09/22/52/410092252.db2.gz UTRDKRIHQVIAQI-SNVBAGLBSA-N 2 2 248.334 1.149 10 0 BDAELP COc1ccc[nH+]c1N1CCC(CC[NH3+])CC1 ZINC000128391201 410268570 /nfs/dbraw/zinc/26/85/70/410268570.db2.gz GIWFYPOXSMKAAQ-UHFFFAOYSA-N 2 2 235.331 1.655 10 0 BDAELP COc1ccc[nH+]c1N(C)CC[C@H]([NH3+])C(C)C ZINC000128509526 410360375 /nfs/dbraw/zinc/36/03/75/410360375.db2.gz AJXOIDBFPKCDLL-NSHDSACASA-N 2 2 237.347 1.900 10 0 BDAELP CC(C)NC(=O)C[N@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042609846 167048389 /nfs/dbraw/zinc/04/83/89/167048389.db2.gz IMCZRAWVXSVYJW-RYUDHWBXSA-N 2 2 241.379 1.103 10 0 BDAELP CC(C)NC(=O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042609846 167048392 /nfs/dbraw/zinc/04/83/92/167048392.db2.gz IMCZRAWVXSVYJW-RYUDHWBXSA-N 2 2 241.379 1.103 10 0 BDAELP CC(C)[NH2+]C1(c2nccs2)CC[NH2+]CC1 ZINC000041061572 167095124 /nfs/dbraw/zinc/09/51/24/167095124.db2.gz NEJINBIZUKSADN-UHFFFAOYSA-N 2 2 225.361 1.720 10 0 BDAELP CC(C)[NH2+]Cc1cccc(-n2cc[nH+]c2)n1 ZINC000051489848 167118681 /nfs/dbraw/zinc/11/86/81/167118681.db2.gz RJMJZWJBQVDJOT-UHFFFAOYSA-N 2 2 216.288 1.765 10 0 BDAELP CC(C)OCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000224842072 167235836 /nfs/dbraw/zinc/23/58/36/167235836.db2.gz UCQAQJWVMDLABR-NWDGAFQWSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)OCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000224842072 167235837 /nfs/dbraw/zinc/23/58/37/167235837.db2.gz UCQAQJWVMDLABR-NWDGAFQWSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)OCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860440 167237848 /nfs/dbraw/zinc/23/78/48/167237848.db2.gz QSIZWBAGGXGPKR-HNNXBMFYSA-N 2 2 248.370 1.797 10 0 BDAELP CC(C)OCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860440 167237851 /nfs/dbraw/zinc/23/78/51/167237851.db2.gz QSIZWBAGGXGPKR-HNNXBMFYSA-N 2 2 248.370 1.797 10 0 BDAELP CCC[C@@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000309515105 411157803 /nfs/dbraw/zinc/15/78/03/411157803.db2.gz YLAUFDHSQWEDKO-HTQZYQBOSA-N 2 2 210.281 1.294 10 0 BDAELP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702116 411327375 /nfs/dbraw/zinc/32/73/75/411327375.db2.gz LPWBTDKHPDJALL-NEPJUHHUSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702116 411327377 /nfs/dbraw/zinc/32/73/77/411327377.db2.gz LPWBTDKHPDJALL-NEPJUHHUSA-N 2 2 242.407 1.856 10 0 BDAELP Nc1cc([C@@H]2CCC[N@H+](CC[NH3+])CC2)cc[nH+]1 ZINC000616600449 411287818 /nfs/dbraw/zinc/28/78/18/411287818.db2.gz FTQAQALIRRWONR-LLVKDONJSA-N 3 2 234.347 1.192 10 0 BDAELP Nc1cc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)cc[nH+]1 ZINC000616600449 411287822 /nfs/dbraw/zinc/28/78/22/411287822.db2.gz FTQAQALIRRWONR-LLVKDONJSA-N 3 2 234.347 1.192 10 0 BDAELP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CCCO2)n1C ZINC000657304876 411456423 /nfs/dbraw/zinc/45/64/23/411456423.db2.gz SPVRZYGQQKPMPY-LBPRGKRZSA-N 2 2 223.320 1.387 10 0 BDAELP CC(C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292125 411452843 /nfs/dbraw/zinc/45/28/43/411452843.db2.gz DMIZMNBPRJTTMW-SNVBAGLBSA-N 2 2 207.321 1.963 10 0 BDAELP CC[N@@H+]1CC[C@@H](C[NH+]2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666720 170005838 /nfs/dbraw/zinc/00/58/38/170005838.db2.gz CDJJEPLHDSCXJI-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[N@H+]1CC[C@@H](C[NH+]2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666720 170005841 /nfs/dbraw/zinc/00/58/41/170005841.db2.gz CDJJEPLHDSCXJI-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[NH+]1CC[C@@H](C[N@@H+]2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666720 170005843 /nfs/dbraw/zinc/00/58/43/170005843.db2.gz CDJJEPLHDSCXJI-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[NH+]1CC[C@@H](C[N@H+]2CCC[NH2+][C@H](C)CC2)C1 ZINC000049666720 170005844 /nfs/dbraw/zinc/00/58/44/170005844.db2.gz CDJJEPLHDSCXJI-ZIAGYGMSSA-N 3 2 239.407 1.402 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779237 170031412 /nfs/dbraw/zinc/03/14/12/170031412.db2.gz NQAZRYUFEJRRHL-VXGBXAGGSA-N 2 2 228.380 1.589 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779237 170031413 /nfs/dbraw/zinc/03/14/13/170031413.db2.gz NQAZRYUFEJRRHL-VXGBXAGGSA-N 2 2 228.380 1.589 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779873 170031824 /nfs/dbraw/zinc/03/18/24/170031824.db2.gz PQZAEZOLEJRCFM-DGCLKSJQSA-N 2 2 224.348 1.263 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779873 170031825 /nfs/dbraw/zinc/03/18/25/170031825.db2.gz PQZAEZOLEJRCFM-DGCLKSJQSA-N 2 2 224.348 1.263 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779235 170037002 /nfs/dbraw/zinc/03/70/02/170037002.db2.gz NQAZRYUFEJRRHL-NWDGAFQWSA-N 2 2 228.380 1.589 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)COC)C1 ZINC000336779235 170037004 /nfs/dbraw/zinc/03/70/04/170037004.db2.gz NQAZRYUFEJRRHL-NWDGAFQWSA-N 2 2 228.380 1.589 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000336769766 170038318 /nfs/dbraw/zinc/03/83/18/170038318.db2.gz VBYNYKBBXBIALD-SDDRHHMPSA-N 2 2 214.353 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000336769766 170038319 /nfs/dbraw/zinc/03/83/19/170038319.db2.gz VBYNYKBBXBIALD-SDDRHHMPSA-N 2 2 214.353 1.341 10 0 BDAELP CC[NH2+]CCc1[nH]c2ccc(O)cc2[nH+]1 ZINC000074325410 170118546 /nfs/dbraw/zinc/11/85/46/170118546.db2.gz AMZSVXHXPQVVHF-UHFFFAOYSA-N 2 2 205.261 1.421 10 0 BDAELP CC[NH2+]C[C@@](C)(CC)C[N@H+](C)CCC[NH+](C)C ZINC000104199584 170120818 /nfs/dbraw/zinc/12/08/18/170120818.db2.gz PSWYHPMZIWVGBH-CQSZACIVSA-N 3 2 243.439 1.896 10 0 BDAELP CC[NH2+]C[C@@](C)(CC)C[N@@H+](C)CCC[NH+](C)C ZINC000104199584 170120819 /nfs/dbraw/zinc/12/08/19/170120819.db2.gz PSWYHPMZIWVGBH-CQSZACIVSA-N 3 2 243.439 1.896 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)Cn2cc[nH+]c2)C1 ZINC000053031995 170122354 /nfs/dbraw/zinc/12/23/54/170122354.db2.gz NOMPMXMQCJAMGM-QWHCGFSZSA-N 3 2 236.363 1.203 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@H+]([C@@H](C)Cn2cc[nH+]c2)C1 ZINC000053031995 170122355 /nfs/dbraw/zinc/12/23/55/170122355.db2.gz NOMPMXMQCJAMGM-QWHCGFSZSA-N 3 2 236.363 1.203 10 0 BDAELP CC[NH2+]C[C@H]1CCCN1c1cc(C)[nH+]cn1 ZINC000053696964 170122949 /nfs/dbraw/zinc/12/29/49/170122949.db2.gz RWYACXLIHMEFKG-LLVKDONJSA-N 2 2 220.320 1.363 10 0 BDAELP CC[NH2+]Cc1coc(C[N@@H+]2CCOC[C@H]2C)c1 ZINC000052475977 170130115 /nfs/dbraw/zinc/13/01/15/170130115.db2.gz CLAWOVXSBVTCPT-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1coc(C[N@H+]2CCOC[C@H]2C)c1 ZINC000052475977 170130116 /nfs/dbraw/zinc/13/01/16/170130116.db2.gz CLAWOVXSBVTCPT-LLVKDONJSA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1csc(C[NH+]2CCCC2)n1 ZINC000045206612 170130886 /nfs/dbraw/zinc/13/08/86/170130886.db2.gz ZQTXUSSEZXBJNG-UHFFFAOYSA-N 2 2 225.361 1.848 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000104198341 170151915 /nfs/dbraw/zinc/15/19/15/170151915.db2.gz OJICJLZBSRJQSM-UONOGXRCSA-N 3 2 241.423 1.648 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000104198341 170151916 /nfs/dbraw/zinc/15/19/16/170151916.db2.gz OJICJLZBSRJQSM-UONOGXRCSA-N 3 2 241.423 1.648 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000049712927 170152340 /nfs/dbraw/zinc/15/23/40/170152340.db2.gz WOTBLEWKKXFFTH-MGPQQGTHSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000049712927 170152341 /nfs/dbraw/zinc/15/23/41/170152341.db2.gz WOTBLEWKKXFFTH-MGPQQGTHSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC000049712927 170152342 /nfs/dbraw/zinc/15/23/42/170152342.db2.gz WOTBLEWKKXFFTH-MGPQQGTHSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC000049712927 170152343 /nfs/dbraw/zinc/15/23/43/170152343.db2.gz WOTBLEWKKXFFTH-MGPQQGTHSA-N 3 2 239.407 1.401 10 0 BDAELP CC[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806789 170152992 /nfs/dbraw/zinc/15/29/92/170152992.db2.gz KHGDMJWQGMWVNC-OLZOCXBDSA-N 2 2 226.364 1.485 10 0 BDAELP CC[NH2+][C@H](C[NH3+])c1ccc2c(c1)OCCCO2 ZINC000050270340 170162157 /nfs/dbraw/zinc/16/21/57/170162157.db2.gz KPHVNFGPIKQFGU-LLVKDONJSA-N 2 2 236.315 1.457 10 0 BDAELP CCOC(=O)C[N@H+](C1CC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000103923525 170216052 /nfs/dbraw/zinc/21/60/52/170216052.db2.gz XANIEDQHITVDRX-PWSUYJOCSA-N 2 2 240.347 1.141 10 0 BDAELP CCOC(=O)C[N@@H+](C1CC1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000103923525 170216053 /nfs/dbraw/zinc/21/60/53/170216053.db2.gz XANIEDQHITVDRX-PWSUYJOCSA-N 2 2 240.347 1.141 10 0 BDAELP C[N@@H+]1CCO[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616686297 411891390 /nfs/dbraw/zinc/89/13/90/411891390.db2.gz IAEPEBVZAIQQQZ-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCO[C@H](c2cc[nH+]c(N)c2)CC1 ZINC000616686297 411891394 /nfs/dbraw/zinc/89/13/94/411891394.db2.gz IAEPEBVZAIQQQZ-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP CC(C)[N@@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616652719 411868835 /nfs/dbraw/zinc/86/88/35/411868835.db2.gz JDKBEDAWGTWJIN-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616652719 411868840 /nfs/dbraw/zinc/86/88/40/411868840.db2.gz JDKBEDAWGTWJIN-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@@](C)(CC)C[NH3+])CCO1 ZINC000036769528 171096801 /nfs/dbraw/zinc/09/68/01/171096801.db2.gz OAXFYVLSSFTABV-MNOVXSKESA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@@H]1C[N@H+]([C@@](C)(CC)C[NH3+])CCO1 ZINC000036769528 171096802 /nfs/dbraw/zinc/09/68/02/171096802.db2.gz OAXFYVLSSFTABV-MNOVXSKESA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1[C@@](C)(CC)C[NH3+] ZINC000036325890 171108192 /nfs/dbraw/zinc/10/81/92/171108192.db2.gz KBTDZYXIJNBBHY-MNOVXSKESA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@@H]1COCC[N@H+]1[C@@](C)(CC)C[NH3+] ZINC000036325890 171108193 /nfs/dbraw/zinc/10/81/93/171108193.db2.gz KBTDZYXIJNBBHY-MNOVXSKESA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052571065 171109461 /nfs/dbraw/zinc/10/94/61/171109461.db2.gz WBHHHEPGPRBWKA-GXSJLCMTSA-N 2 2 239.319 1.133 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052571065 171109464 /nfs/dbraw/zinc/10/94/64/171109464.db2.gz WBHHHEPGPRBWKA-GXSJLCMTSA-N 2 2 239.319 1.133 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(C)(C)[NH2+]C ZINC000061319676 171112634 /nfs/dbraw/zinc/11/26/34/171112634.db2.gz ARFAGOPDVJHTNC-GHMZBOCLSA-N 2 2 214.353 1.484 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1CC(C)(C)[NH2+]C ZINC000061319676 171112635 /nfs/dbraw/zinc/11/26/35/171112635.db2.gz ARFAGOPDVJHTNC-GHMZBOCLSA-N 2 2 214.353 1.484 10 0 BDAELP CCn1cc[nH+]c1Cn1ccnc1C[NH2+]C1CC1 ZINC000054743866 172225535 /nfs/dbraw/zinc/22/55/35/172225535.db2.gz ZIBXMWZLOBPUKM-UHFFFAOYSA-N 2 2 245.330 1.400 10 0 BDAELP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC000037485042 173117802 /nfs/dbraw/zinc/11/78/02/173117802.db2.gz KITNGDPWEDUUMZ-VIFPVBQESA-N 2 2 242.754 1.115 10 0 BDAELP Cn1c(Cl)cnc1C[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC000037485042 173117804 /nfs/dbraw/zinc/11/78/04/173117804.db2.gz KITNGDPWEDUUMZ-VIFPVBQESA-N 2 2 242.754 1.115 10 0 BDAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2cscn2)C1 ZINC000040505203 173147601 /nfs/dbraw/zinc/14/76/01/173147601.db2.gz AJSPUYYJGPSUHH-SECBINFHSA-N 2 2 211.334 1.184 10 0 BDAELP C[N@H+]1CC[C@H](C[NH2+]Cc2cscn2)C1 ZINC000040505203 173147602 /nfs/dbraw/zinc/14/76/02/173147602.db2.gz AJSPUYYJGPSUHH-SECBINFHSA-N 2 2 211.334 1.184 10 0 BDAELP C[NH2+]C1(c2nc(C)cs2)CC[NH2+]CC1 ZINC000041060552 173321986 /nfs/dbraw/zinc/32/19/86/173321986.db2.gz SWNDNCCAKKPZAT-UHFFFAOYSA-N 2 2 211.334 1.250 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@H+](C)CCc1ccccn1 ZINC000052423718 173362147 /nfs/dbraw/zinc/36/21/47/173362147.db2.gz MRORNEXWUQPZTH-AWEZNQCLSA-N 2 2 235.375 1.800 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@@H+](C)CCc1ccccn1 ZINC000052423718 173362148 /nfs/dbraw/zinc/36/21/48/173362148.db2.gz MRORNEXWUQPZTH-AWEZNQCLSA-N 2 2 235.375 1.800 10 0 BDAELP C[NH2+]C[C@@H](O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000042747038 173364890 /nfs/dbraw/zinc/36/48/90/173364890.db2.gz IWOMURIBLODSLD-VHSXEESVSA-N 2 2 240.372 1.248 10 0 BDAELP C[NH2+]C[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000042747038 173364891 /nfs/dbraw/zinc/36/48/91/173364891.db2.gz IWOMURIBLODSLD-VHSXEESVSA-N 2 2 240.372 1.248 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000049333943 173367666 /nfs/dbraw/zinc/36/76/66/173367666.db2.gz ABDOFVIUJQWJHW-AWEZNQCLSA-N 3 2 239.407 1.404 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000049333943 173367667 /nfs/dbraw/zinc/36/76/67/173367667.db2.gz ABDOFVIUJQWJHW-AWEZNQCLSA-N 3 2 239.407 1.404 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000164783948 173368410 /nfs/dbraw/zinc/36/84/10/173368410.db2.gz YOCQJDXLPANCBZ-JQWIXIFHSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000164783948 173368412 /nfs/dbraw/zinc/36/84/12/173368412.db2.gz YOCQJDXLPANCBZ-JQWIXIFHSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@@H+]1CCOC[C@@H]1C ZINC000052475788 173391464 /nfs/dbraw/zinc/39/14/64/173391464.db2.gz CIOFPRCSEDKRLS-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@H+]1CCOC[C@@H]1C ZINC000052475788 173391465 /nfs/dbraw/zinc/39/14/65/173391465.db2.gz CIOFPRCSEDKRLS-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP COCC[N@H+](C)[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915070 174281905 /nfs/dbraw/zinc/28/19/05/174281905.db2.gz DZIWEKMVLCZCQO-GXFFZTMASA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042915070 174281907 /nfs/dbraw/zinc/28/19/07/174281907.db2.gz DZIWEKMVLCZCQO-GXFFZTMASA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@H+](C)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966996 174283970 /nfs/dbraw/zinc/28/39/70/174283970.db2.gz GSCQXZZOGRFDJA-OCCSQVGLSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966996 174283973 /nfs/dbraw/zinc/28/39/73/174283973.db2.gz GSCQXZZOGRFDJA-OCCSQVGLSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+]([C@@H](C)COC)[C@H](C[NH3+])CC(C)C ZINC000042603346 174302168 /nfs/dbraw/zinc/30/21/68/174302168.db2.gz OKURSCIAVLFVFC-STQMWFEESA-N 2 2 246.395 1.343 10 0 BDAELP COCC[N@@H+]([C@@H](C)COC)[C@H](C[NH3+])CC(C)C ZINC000042603346 174302170 /nfs/dbraw/zinc/30/21/70/174302170.db2.gz OKURSCIAVLFVFC-STQMWFEESA-N 2 2 246.395 1.343 10 0 BDAELP COc1cc([C@@H]([NH3+])C[NH3+])c(F)cc1Cl ZINC000044471546 175014594 /nfs/dbraw/zinc/01/45/94/175014594.db2.gz XNCPNVIEFLGZFZ-QMMMGPOBSA-N 2 2 218.659 1.446 10 0 BDAELP COc1ccc(C)cc1-n1c[nH+]cc1CC[NH3+] ZINC000076678377 175072943 /nfs/dbraw/zinc/07/29/43/175072943.db2.gz ATIJNZJCJZOZOT-UHFFFAOYSA-N 2 2 231.299 1.691 10 0 BDAELP COc1ccc(Cl)c([C@@H]([NH3+])C[NH3+])c1 ZINC000072200578 175118721 /nfs/dbraw/zinc/11/87/21/175118721.db2.gz QRZMCTODTAUXFV-VIFPVBQESA-N 2 2 200.669 1.307 10 0 BDAELP COc1ccc(Cl)c([C@@H]([NH3+])C[NH3+])c1F ZINC000044473187 175118800 /nfs/dbraw/zinc/11/88/00/175118800.db2.gz WMXJCQZKMOMLGJ-LURJTMIESA-N 2 2 218.659 1.446 10 0 BDAELP COc1ccc([C@H]([NH3+])C[NH3+])c(Cl)c1OC ZINC000044469759 175191558 /nfs/dbraw/zinc/19/15/58/175191558.db2.gz QXJRXTDIBUIVTK-SSDOTTSWSA-N 2 2 230.695 1.316 10 0 BDAELP COc1cccc([C@@H]2[C@@H]([NH3+])CC[N@@H+]2C2CC2)c1 ZINC000070299717 175291618 /nfs/dbraw/zinc/29/16/18/175291618.db2.gz LNCNFGRZOJOWPW-UONOGXRCSA-N 2 2 232.327 1.932 10 0 BDAELP COc1cccc([C@@H]2[C@@H]([NH3+])CC[N@H+]2C2CC2)c1 ZINC000070299717 175291620 /nfs/dbraw/zinc/29/16/20/175291620.db2.gz LNCNFGRZOJOWPW-UONOGXRCSA-N 2 2 232.327 1.932 10 0 BDAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CCO)c1 ZINC000043027243 175295644 /nfs/dbraw/zinc/29/56/44/175295644.db2.gz KSQDGZNVHWYBAO-MFKMUULPSA-N 2 2 238.331 1.008 10 0 BDAELP COc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CCO)c1 ZINC000043027243 175295645 /nfs/dbraw/zinc/29/56/45/175295645.db2.gz KSQDGZNVHWYBAO-MFKMUULPSA-N 2 2 238.331 1.008 10 0 BDAELP C[C@@H](c1cnccn1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068226 176035474 /nfs/dbraw/zinc/03/54/74/176035474.db2.gz HOVQNNDWSVBKSG-NWDGAFQWSA-N 2 2 234.347 1.469 10 0 BDAELP C[C@@H](c1cnccn1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000095068226 176035476 /nfs/dbraw/zinc/03/54/76/176035476.db2.gz HOVQNNDWSVBKSG-NWDGAFQWSA-N 2 2 234.347 1.469 10 0 BDAELP C[C@@H](c1ccncc1)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662181 176035538 /nfs/dbraw/zinc/03/55/38/176035538.db2.gz VHWHNISLBINKPY-NEPJUHHUSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H](c1ccncc1)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000049662181 176035539 /nfs/dbraw/zinc/03/55/39/176035539.db2.gz VHWHNISLBINKPY-NEPJUHHUSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H]1CCC[N@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052381431 176102238 /nfs/dbraw/zinc/10/22/38/176102238.db2.gz PFWWUHBQYYLGRO-SECBINFHSA-N 2 2 225.361 1.834 10 0 BDAELP C[C@@H]1CCC[N@@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052381431 176102240 /nfs/dbraw/zinc/10/22/40/176102240.db2.gz PFWWUHBQYYLGRO-SECBINFHSA-N 2 2 225.361 1.834 10 0 BDAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037910369 176110348 /nfs/dbraw/zinc/11/03/48/176110348.db2.gz CCVXDQLPXWVMEQ-PWSUYJOCSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000037910369 176110349 /nfs/dbraw/zinc/11/03/49/176110349.db2.gz CCVXDQLPXWVMEQ-PWSUYJOCSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@@H]1CC[N@H+](CCc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235311391 176171184 /nfs/dbraw/zinc/17/11/84/176171184.db2.gz HGFRWBGLUTWVEQ-DGCLKSJQSA-N 2 2 236.363 1.022 10 0 BDAELP C[C@@H]1CC[N@@H+](CCc2cnn(C)c2)[C@@H](C[NH3+])C1 ZINC000235311391 176171186 /nfs/dbraw/zinc/17/11/86/176171186.db2.gz HGFRWBGLUTWVEQ-DGCLKSJQSA-N 2 2 236.363 1.022 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235338636 176176540 /nfs/dbraw/zinc/17/65/40/176176540.db2.gz WDPTYYMRGLFVFQ-DGCLKSJQSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2cccnc2)[C@@H](C[NH3+])C1 ZINC000235338636 176176542 /nfs/dbraw/zinc/17/65/42/176176542.db2.gz WDPTYYMRGLFVFQ-DGCLKSJQSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccncc1 ZINC000071509839 176185207 /nfs/dbraw/zinc/18/52/07/176185207.db2.gz BOFMBQYWHFLMCD-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccncc1 ZINC000071509839 176185208 /nfs/dbraw/zinc/18/52/08/176185208.db2.gz BOFMBQYWHFLMCD-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071522551 176305767 /nfs/dbraw/zinc/30/57/67/176305767.db2.gz FRRWEEKCNJSTFN-YPMHNXCESA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071522551 176305769 /nfs/dbraw/zinc/30/57/69/176305769.db2.gz FRRWEEKCNJSTFN-YPMHNXCESA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](CCOc2ccccc2)C1 ZINC000042897845 176325775 /nfs/dbraw/zinc/32/57/75/176325775.db2.gz DCVXPSATZLCXHA-CYBMUJFWSA-N 2 2 234.343 1.607 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](CCOc2ccccc2)C1 ZINC000042897845 176325777 /nfs/dbraw/zinc/32/57/77/176325777.db2.gz DCVXPSATZLCXHA-CYBMUJFWSA-N 2 2 234.343 1.607 10 0 BDAELP C[C@@H]1COC[C@@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000183180794 176346951 /nfs/dbraw/zinc/34/69/51/176346951.db2.gz AXKYKACZSMWIDQ-VXGBXAGGSA-N 2 2 223.320 1.382 10 0 BDAELP C[C@H](c1cnccn1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596607 177052572 /nfs/dbraw/zinc/05/25/72/177052572.db2.gz KPXHCYVNYXEYRQ-UTUOFQBUSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@H](c1cnccn1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596607 177052573 /nfs/dbraw/zinc/05/25/73/177052573.db2.gz KPXHCYVNYXEYRQ-UTUOFQBUSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@H](c1cnccn1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193596607 177052575 /nfs/dbraw/zinc/05/25/75/177052575.db2.gz KPXHCYVNYXEYRQ-UTUOFQBUSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@H](c1cnccn1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193596607 177052576 /nfs/dbraw/zinc/05/25/76/177052576.db2.gz KPXHCYVNYXEYRQ-UTUOFQBUSA-N 2 2 232.331 1.031 10 0 BDAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1ccccn1 ZINC000019395302 177079216 /nfs/dbraw/zinc/07/92/16/177079216.db2.gz DERWKDBUCYVDDO-AAEUAGOBSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1ccccn1 ZINC000019395302 177079217 /nfs/dbraw/zinc/07/92/17/177079217.db2.gz DERWKDBUCYVDDO-AAEUAGOBSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075280 177103230 /nfs/dbraw/zinc/10/32/30/177103230.db2.gz NJDVSKALVMDACN-JQWIXIFHSA-N 2 2 222.336 1.152 10 0 BDAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075280 177103233 /nfs/dbraw/zinc/10/32/33/177103233.db2.gz NJDVSKALVMDACN-JQWIXIFHSA-N 2 2 222.336 1.152 10 0 BDAELP C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000037910654 177109311 /nfs/dbraw/zinc/10/93/11/177109311.db2.gz CKNAXJYUUBZHAQ-JQWIXIFHSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@H]1CCC[N@H+]1C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000037910654 177109312 /nfs/dbraw/zinc/10/93/12/177109312.db2.gz CKNAXJYUUBZHAQ-JQWIXIFHSA-N 2 2 248.326 1.899 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1C1(C[NH3+])CCSCC1 ZINC000042335058 177241426 /nfs/dbraw/zinc/24/14/26/177241426.db2.gz CLJIHOLECLOZOH-MNOVXSKESA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000042335058 177241427 /nfs/dbraw/zinc/24/14/27/177241427.db2.gz CLJIHOLECLOZOH-MNOVXSKESA-N 2 2 244.404 1.320 10 0 BDAELP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CCS1 ZINC000161644607 177256703 /nfs/dbraw/zinc/25/67/03/177256703.db2.gz VDIRYMPCAPHOQA-JTQLQIEISA-N 2 2 211.334 1.320 10 0 BDAELP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCS1 ZINC000161644607 177256704 /nfs/dbraw/zinc/25/67/04/177256704.db2.gz VDIRYMPCAPHOQA-JTQLQIEISA-N 2 2 211.334 1.320 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000183180741 177297970 /nfs/dbraw/zinc/29/79/70/177297970.db2.gz AXKYKACZSMWIDQ-TXEJJXNPSA-N 2 2 223.320 1.382 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000183180741 177297971 /nfs/dbraw/zinc/29/79/71/177297971.db2.gz AXKYKACZSMWIDQ-TXEJJXNPSA-N 2 2 223.320 1.382 10 0 BDAELP C[C@H]1C[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336768639 177349888 /nfs/dbraw/zinc/34/98/88/177349888.db2.gz UTUXAJCUFSQCQE-WPRPVWTQSA-N 2 2 225.361 1.703 10 0 BDAELP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000314898616 487669970 /nfs/dbraw/zinc/66/99/70/487669970.db2.gz NCYHVXMNLDCDRG-UBHSHLNASA-N 3 2 248.374 1.022 10 0 BDAELP 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CC(C)C[N@@H+]1CC[C@@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226859284 535133904 /nfs/dbraw/zinc/13/39/04/535133904.db2.gz SGCVQVOPDPQJCO-UONOGXRCSA-N 2 2 240.391 1.685 10 0 BDAELP CC(C)C[N@H+]1CC[C@@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226859284 535133905 /nfs/dbraw/zinc/13/39/05/535133905.db2.gz SGCVQVOPDPQJCO-UONOGXRCSA-N 2 2 240.391 1.685 10 0 BDAELP C[NH+](C)CCN1CCCc2cc([NH3+])ccc21 ZINC000019875191 535874132 /nfs/dbraw/zinc/87/41/32/535874132.db2.gz WCYJCWCVKOSYJL-UHFFFAOYSA-N 2 2 219.332 1.583 10 0 BDAELP Cc1ccc(CCn2cc[nH+]c2N)[nH+]c1 ZINC000702556642 582927410 /nfs/dbraw/zinc/92/74/10/582927410.db2.gz RPPPIEGQPIBSHS-UHFFFAOYSA-N 2 2 202.261 1.411 10 0 BDAELP C[C@@H](F)C[N@@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757124887 582500163 /nfs/dbraw/zinc/50/01/63/582500163.db2.gz CLEGSSOTUQATHQ-GHMZBOCLSA-N 2 2 200.301 1.562 10 0 BDAELP C[C@@H](F)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC000757124887 582500165 /nfs/dbraw/zinc/50/01/65/582500165.db2.gz CLEGSSOTUQATHQ-GHMZBOCLSA-N 2 2 200.301 1.562 10 0 BDAELP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675053868 583928864 /nfs/dbraw/zinc/92/88/64/583928864.db2.gz OWCMWESDBBMSJW-JSGCOSHPSA-N 3 2 239.407 1.530 10 0 BDAELP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C[NH3+])C1 ZINC000675053868 583928867 /nfs/dbraw/zinc/92/88/67/583928867.db2.gz OWCMWESDBBMSJW-JSGCOSHPSA-N 3 2 239.407 1.530 10 0 BDAELP [NH3+]C[C@H]1CCN1c1[nH]c2ccccc2[nH+]1 ZINC000757153070 586429299 /nfs/dbraw/zinc/42/92/99/586429299.db2.gz SPXZZJWZJDCBRL-MRVPVSSYSA-N 2 2 202.261 1.100 10 0 BDAELP CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@H]1c1[nH]cc[nH+]1 ZINC000757185832 586433967 /nfs/dbraw/zinc/43/39/67/586433967.db2.gz AXYWUFIVKNNREK-BDAKNGLRSA-N 2 2 237.303 1.054 10 0 BDAELP [NH3+]C[C@H]1CC[C@@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211649 586437384 /nfs/dbraw/zinc/43/73/84/586437384.db2.gz HZLOBHZNLCJRHN-RKDXNWHRSA-N 2 2 224.329 1.355 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)[C@@H]1[NH3+] ZINC000757207952 586437661 /nfs/dbraw/zinc/43/76/61/586437661.db2.gz 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ZINC000757228159 586442849 /nfs/dbraw/zinc/44/28/49/586442849.db2.gz BWDZMHPSVWTBBV-MIMYLULJSA-N 2 2 208.309 1.043 10 0 BDAELP CC(C)(C)n1cc([C@H]2CC[C@H]([NH3+])C[NH2+]2)cn1 ZINC000757231115 586443059 /nfs/dbraw/zinc/44/30/59/586443059.db2.gz GKBLHDPJTVFYOQ-WDEREUQCSA-N 2 2 222.336 1.390 10 0 BDAELP [NH3+]C[C@@H]1C[C@H](F)C[N@@H+]1CC1CCCC1 ZINC000307493480 635988902 /nfs/dbraw/zinc/98/89/02/635988902.db2.gz AXPPFAOWFUZBPY-QWRGUYRKSA-N 2 2 200.301 1.548 10 0 BDAELP [NH3+]C[C@@H]1C[C@H](F)C[N@H+]1CC1CCCC1 ZINC000307493480 635988904 /nfs/dbraw/zinc/98/89/04/635988904.db2.gz AXPPFAOWFUZBPY-QWRGUYRKSA-N 2 2 200.301 1.548 10 0 BDAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000228282782 633922256 /nfs/dbraw/zinc/92/22/56/633922256.db2.gz PVYFHORJYUIGRK-TUAOUCFPSA-N 2 2 214.353 1.076 10 0 BDAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)CCO)[C@@H](C)C1 ZINC000228282782 633922261 /nfs/dbraw/zinc/92/22/61/633922261.db2.gz PVYFHORJYUIGRK-TUAOUCFPSA-N 2 2 214.353 1.076 10 0 BDAELP Cc1ccc(OC[C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094088074 635181759 /nfs/dbraw/zinc/18/17/59/635181759.db2.gz BPIBZXNEOVSQDG-OLZOCXBDSA-N 2 2 234.343 1.714 10 0 BDAELP Cc1nc(NCc2ccc(CC[NH3+])cc2)cc[nH+]1 ZINC000054936880 640422975 /nfs/dbraw/zinc/42/29/75/640422975.db2.gz CIFGQTLKOKGEDY-UHFFFAOYSA-N 2 2 242.326 1.898 10 0 BDAELP CC1(C)CC[C@H](C[NH2+][C@H]2CC[NH2+]C2)OC1 ZINC000711387352 712296856 /nfs/dbraw/zinc/29/68/56/712296856.db2.gz YHROGBJBGWVAHC-WDEREUQCSA-N 2 2 212.337 1.143 10 0 BDAELP C[C@H](C[NH2+]CCc1ccccc1)[NH+](C)C ZINC000038088697 712806526 /nfs/dbraw/zinc/80/65/26/712806526.db2.gz LQBOWMQVNIMKGR-GFCCVEGCSA-N 2 2 206.333 1.769 10 0 BDAELP C([C@@H]1CCCO1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257656254 711723582 /nfs/dbraw/zinc/72/35/82/711723582.db2.gz FKBMSEIBDIIWCL-QWHCGFSZSA-N 2 2 224.348 1.383 10 0 BDAELP C([C@@H]1CCCO1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257656254 711723585 /nfs/dbraw/zinc/72/35/85/711723585.db2.gz FKBMSEIBDIIWCL-QWHCGFSZSA-N 2 2 224.348 1.383 10 0 BDAELP CCC1([NH3+])CC[NH+]([C@H](C)c2ccnn2C)CC1 ZINC000714759941 712498270 /nfs/dbraw/zinc/49/82/70/712498270.db2.gz YHQHNYRPRQPYDG-LLVKDONJSA-N 2 2 236.363 1.684 10 0 BDAELP C([NH2+][C@@H]1CC[NH2+]C1)[C@@H]1CCC2(CCC2)CO1 ZINC000716592481 712564565 /nfs/dbraw/zinc/56/45/65/712564565.db2.gz FDXVQLVZPFQXMK-NEPJUHHUSA-N 2 2 224.348 1.287 10 0 BDAELP CCc1[nH+]ccn1CC(F)(F)C[NH2+]C ZINC000685956395 538902943 /nfs/dbraw/zinc/90/29/43/538902943.db2.gz CUMGFHUDSNGJBS-UHFFFAOYSA-N 2 2 203.236 1.300 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CCC(C)([NH3+])CC1 ZINC000649415965 398216415 /nfs/dbraw/zinc/21/64/15/398216415.db2.gz DTWOEDBDBLIXNN-UHFFFAOYSA-N 2 2 236.363 1.777 10 0 BDAELP CC[C@]1([NH2+]C[C@@H]2CCC[N@@H+]2C)CCOC1 ZINC000386519737 398211576 /nfs/dbraw/zinc/21/15/76/398211576.db2.gz DMCXYYNGUBXGAY-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP CC[C@]1([NH2+]C[C@@H]2CCC[N@H+]2C)CCOC1 ZINC000386519737 398211579 /nfs/dbraw/zinc/21/15/79/398211579.db2.gz DMCXYYNGUBXGAY-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP Cc1cc(N[C@H]2CC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000301919876 178190923 /nfs/dbraw/zinc/19/09/23/178190923.db2.gz IUBPGHABBFCBRF-QWRGUYRKSA-N 2 2 220.320 1.680 10 0 BDAELP C[NH+]1CCC(Nc2ccc(N)[nH+]c2)CC1 ZINC000037267281 361801306 /nfs/dbraw/zinc/80/13/06/361801306.db2.gz IVEXFEPCBNUHGE-UHFFFAOYSA-N 2 2 206.293 1.170 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000382169601 398255809 /nfs/dbraw/zinc/25/58/09/398255809.db2.gz VZUAYYYAXUOGEL-NWDGAFQWSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000382169601 398255814 /nfs/dbraw/zinc/25/58/14/398255814.db2.gz VZUAYYYAXUOGEL-NWDGAFQWSA-N 2 2 212.337 1.095 10 0 BDAELP CC(=O)Nc1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616613247 349607815 /nfs/dbraw/zinc/60/78/15/349607815.db2.gz ZTZRQBRVJVMYEF-ZDUSSCGKSA-N 2 2 247.342 1.393 10 0 BDAELP CC(=O)Nc1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616613247 349607817 /nfs/dbraw/zinc/60/78/17/349607817.db2.gz ZTZRQBRVJVMYEF-ZDUSSCGKSA-N 2 2 247.342 1.393 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc3ccncc32)C1 ZINC000616613063 349605587 /nfs/dbraw/zinc/60/55/87/349605587.db2.gz WNCHEKMFYCUDGI-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc3ccncc32)C1 ZINC000616613063 349605589 /nfs/dbraw/zinc/60/55/89/349605589.db2.gz WNCHEKMFYCUDGI-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP C[NH+]1CCC2(CC1)[NH2+]CCc1sccc12 ZINC000212679262 539027872 /nfs/dbraw/zinc/02/78/72/539027872.db2.gz DOXMXQQDCZNNDC-UHFFFAOYSA-N 2 2 222.357 1.815 10 0 BDAELP CCSCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000308550291 346882439 /nfs/dbraw/zinc/88/24/39/346882439.db2.gz XFLDXOBCRVUNQY-QWRGUYRKSA-N 2 2 216.394 1.669 10 0 BDAELP CCSCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000308550291 346882443 /nfs/dbraw/zinc/88/24/43/346882443.db2.gz XFLDXOBCRVUNQY-QWRGUYRKSA-N 2 2 216.394 1.669 10 0 BDAELP Cc1ccc(C)c(CC[N@H+](C)CC[NH3+])c1 ZINC000077299981 178470273 /nfs/dbraw/zinc/47/02/73/178470273.db2.gz KMDOFVNJBLMOQE-UHFFFAOYSA-N 2 2 206.333 1.736 10 0 BDAELP Cc1ccc(C)c(CC[N@@H+](C)CC[NH3+])c1 ZINC000077299981 178470275 /nfs/dbraw/zinc/47/02/75/178470275.db2.gz KMDOFVNJBLMOQE-UHFFFAOYSA-N 2 2 206.333 1.736 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC(C)(C)O ZINC000049555770 343111637 /nfs/dbraw/zinc/11/16/37/343111637.db2.gz FKZNREDMIWSGHT-LLVKDONJSA-N 2 2 216.369 1.323 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684501 323036836 /nfs/dbraw/zinc/03/68/36/323036836.db2.gz GWMBBIBUZAYBJV-MCIONIFRSA-N 3 2 241.423 1.693 10 0 BDAELP O[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000051769743 343260005 /nfs/dbraw/zinc/26/00/05/343260005.db2.gz WRVZONIKEIKXJX-VXGBXAGGSA-N 2 2 223.320 1.166 10 0 BDAELP C[NH2+][C@H](C)c1cn(Cc2[nH+]ccn2C(C)C)nn1 ZINC000641050575 362164119 /nfs/dbraw/zinc/16/41/19/362164119.db2.gz AUYRPWCAYYZWFN-SNVBAGLBSA-N 2 2 248.334 1.384 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1sccc1Br ZINC000044469783 343502107 /nfs/dbraw/zinc/50/21/07/343502107.db2.gz GGMVOSNBTJKNNF-RXMQYKEDSA-N 2 2 221.123 1.469 10 0 BDAELP CC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178294472 346951409 /nfs/dbraw/zinc/95/14/09/346951409.db2.gz UAWRLEGHAPFLPF-CHWSQXEVSA-N 2 2 237.347 1.427 10 0 BDAELP CC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178294472 346951410 /nfs/dbraw/zinc/95/14/10/346951410.db2.gz UAWRLEGHAPFLPF-CHWSQXEVSA-N 2 2 237.347 1.427 10 0 BDAELP C[C@H]1C[NH2+]C[C@@H]([NH+]2CCSCC2)C1 ZINC000401956748 344082911 /nfs/dbraw/zinc/08/29/11/344082911.db2.gz PBRGPUOWIPQJKO-ZJUUUORDSA-N 2 2 200.351 1.033 10 0 BDAELP C[C@H]1C[N@H+](C/C=C/Cl)[C@@H](C)CC[NH2+]1 ZINC000235609682 344953515 /nfs/dbraw/zinc/95/35/15/344953515.db2.gz LSWLLWDTATUJNE-GMRPRLDHSA-N 2 2 202.729 1.811 10 0 BDAELP C[C@H]1C[N@@H+](C/C=C/Cl)[C@@H](C)CC[NH2+]1 ZINC000235609682 344953516 /nfs/dbraw/zinc/95/35/16/344953516.db2.gz LSWLLWDTATUJNE-GMRPRLDHSA-N 2 2 202.729 1.811 10 0 BDAELP CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248237256 345085879 /nfs/dbraw/zinc/08/58/79/345085879.db2.gz FIMFRDJROGUFBE-GJZGRUSLSA-N 2 2 248.370 1.479 10 0 BDAELP CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248237256 345085882 /nfs/dbraw/zinc/08/58/82/345085882.db2.gz FIMFRDJROGUFBE-GJZGRUSLSA-N 2 2 248.370 1.479 10 0 BDAELP COC[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249777471 537894684 /nfs/dbraw/zinc/89/46/84/537894684.db2.gz KQYFGRCOVIYYLT-STQMWFEESA-N 2 2 237.347 1.630 10 0 BDAELP COC[C@@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000249777471 537894689 /nfs/dbraw/zinc/89/46/89/537894689.db2.gz KQYFGRCOVIYYLT-STQMWFEESA-N 2 2 237.347 1.630 10 0 BDAELP CCc1ccccc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077753 537894970 /nfs/dbraw/zinc/89/49/70/537894970.db2.gz HYDSIJMDKTXIMG-LBPRGKRZSA-N 2 2 202.301 1.563 10 0 BDAELP c1ccc(C2([NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000216201081 345743704 /nfs/dbraw/zinc/74/37/04/345743704.db2.gz XWRVBLJLAKEOIU-GFCCVEGCSA-N 2 2 202.301 1.627 10 0 BDAELP CC(C)c1nc(NC[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000212411331 345733807 /nfs/dbraw/zinc/73/38/07/345733807.db2.gz KZJPGFMKZJWABS-JTQLQIEISA-N 2 2 220.320 1.764 10 0 BDAELP [NH3+][C@H]1CC[C@H](Nc2[nH+]cccc2O)CC1 ZINC000257352601 345774391 /nfs/dbraw/zinc/77/43/91/345774391.db2.gz MEHZSQBYJVIZNF-KYZUINATSA-N 2 2 207.277 1.469 10 0 BDAELP Cc1cc(C)[nH+]c(Cn2cc[nH+]c2N)c1 ZINC000723663078 537936607 /nfs/dbraw/zinc/93/66/07/537936607.db2.gz LBPLVEMHIWIIRM-UHFFFAOYSA-N 2 2 202.261 1.525 10 0 BDAELP Cc1cccc(-n2cc[nH+]c2CC[NH3+])n1 ZINC000052304619 179001526 /nfs/dbraw/zinc/00/15/26/179001526.db2.gz GVWKLQPATJQJRS-UHFFFAOYSA-N 2 2 202.261 1.077 10 0 BDAELP Cc1[nH]c(CN2C[C@H](C)[C@H]([NH+](C)C)C2)[nH+]c1C ZINC000628279773 346290570 /nfs/dbraw/zinc/29/05/70/346290570.db2.gz YONDPUBERPTBOF-JOYOIKCWSA-N 2 2 236.363 1.408 10 0 BDAELP [NH3+]Cc1cc(Cl)cc(C[NH+]2CCOCC2)c1 ZINC000669379485 537979026 /nfs/dbraw/zinc/97/90/26/537979026.db2.gz DKVXHSAQAVYKIS-UHFFFAOYSA-N 2 2 240.734 1.631 10 0 BDAELP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)on1 ZINC000641799348 362749123 /nfs/dbraw/zinc/74/91/23/362749123.db2.gz VEBAAAISLXBCDF-SNVBAGLBSA-N 2 2 239.319 1.257 10 0 BDAELP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)on1 ZINC000641799348 362749127 /nfs/dbraw/zinc/74/91/27/362749127.db2.gz VEBAAAISLXBCDF-SNVBAGLBSA-N 2 2 239.319 1.257 10 0 BDAELP Cc1cccc(N[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000040673498 179158041 /nfs/dbraw/zinc/15/80/41/179158041.db2.gz ZCJAFBUHOLQBOL-NSHDSACASA-N 2 2 205.305 1.896 10 0 BDAELP Cc1cccc(N[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000040673498 179158042 /nfs/dbraw/zinc/15/80/42/179158042.db2.gz ZCJAFBUHOLQBOL-NSHDSACASA-N 2 2 205.305 1.896 10 0 BDAELP Cc1cccc(OCC[C@@H](C[NH3+])[NH+](C)C)c1C ZINC000019663841 179169673 /nfs/dbraw/zinc/16/96/73/179169673.db2.gz VHQLTALFHAUYDA-ZDUSSCGKSA-N 2 2 236.359 1.961 10 0 BDAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+]2CCC[C@H](O)C2)c1 ZINC000042966416 179203247 /nfs/dbraw/zinc/20/32/47/179203247.db2.gz UMJVJPQPRDDAME-SNPRPXQTSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+]2CCC[C@H](O)C2)c1 ZINC000042966416 179203248 /nfs/dbraw/zinc/20/32/48/179203248.db2.gz UMJVJPQPRDDAME-SNPRPXQTSA-N 2 2 248.370 1.840 10 0 BDAELP C[NH2+][C@@H]1CCC[N@H+](C[C@H]2CCCS2)C1 ZINC000250771790 362820617 /nfs/dbraw/zinc/82/06/17/362820617.db2.gz VBSHIXUOKPYBHY-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+][C@@H]1CCC[N@@H+](C[C@H]2CCCS2)C1 ZINC000250771790 362820624 /nfs/dbraw/zinc/82/06/24/362820624.db2.gz VBSHIXUOKPYBHY-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+][C@H]1CCC[N@H+](C[C@H]2CCCS2)C1 ZINC000250771794 362821357 /nfs/dbraw/zinc/82/13/57/362821357.db2.gz VBSHIXUOKPYBHY-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+][C@H]1CCC[N@@H+](C[C@H]2CCCS2)C1 ZINC000250771794 362821361 /nfs/dbraw/zinc/82/13/61/362821361.db2.gz VBSHIXUOKPYBHY-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP Cc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])O[C@@H](C)C1 ZINC000071544580 179276603 /nfs/dbraw/zinc/27/66/03/179276603.db2.gz VNVNXMCUGRFDMI-GXTWGEPZSA-N 2 2 234.343 1.543 10 0 BDAELP Cc1ccccc1C[N@H+]1C[C@@H](C[NH3+])O[C@@H](C)C1 ZINC000071544580 179276605 /nfs/dbraw/zinc/27/66/05/179276605.db2.gz VNVNXMCUGRFDMI-GXTWGEPZSA-N 2 2 234.343 1.543 10 0 BDAELP Cc1[nH+]c2ccccc2n1CC1=[NH+]CCN1 ZINC000073292130 180103328 /nfs/dbraw/zinc/10/33/28/180103328.db2.gz ILTKOGZEQWYDDL-UHFFFAOYSA-N 2 2 214.272 1.346 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000038037650 180191822 /nfs/dbraw/zinc/19/18/22/180191822.db2.gz JTQUCFAPQMRYOM-COPLHBTASA-N 2 2 248.374 1.603 10 0 BDAELP Cc1nccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000038037650 180191823 /nfs/dbraw/zinc/19/18/23/180191823.db2.gz JTQUCFAPQMRYOM-COPLHBTASA-N 2 2 248.374 1.603 10 0 BDAELP Cc1nccc(C[N@@H+]2CCC[NH2+][C@H](C)CC2)n1 ZINC000045007762 180184868 /nfs/dbraw/zinc/18/48/68/180184868.db2.gz CTZBTIGPBAWCAC-LLVKDONJSA-N 2 2 234.347 1.359 10 0 BDAELP Cc1nccc(C[N@H+]2CCC[NH2+][C@H](C)CC2)n1 ZINC000045007762 180184869 /nfs/dbraw/zinc/18/48/69/180184869.db2.gz CTZBTIGPBAWCAC-LLVKDONJSA-N 2 2 234.347 1.359 10 0 BDAELP CC[N@@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000040503112 350369861 /nfs/dbraw/zinc/36/98/61/350369861.db2.gz ILYPXIYUCNVENX-GFCCVEGCSA-N 2 2 234.347 1.990 10 0 BDAELP CC[N@H+]1CCC[C@@H](Nc2cc(C)[nH+]c(C)n2)C1 ZINC000040503112 350369867 /nfs/dbraw/zinc/36/98/67/350369867.db2.gz ILYPXIYUCNVENX-GFCCVEGCSA-N 2 2 234.347 1.990 10 0 BDAELP CNc1ccc([C@H]2COCCC[N@@H+]2CC[NH3+])cc1 ZINC000616600021 350778760 /nfs/dbraw/zinc/77/87/60/350778760.db2.gz XFGJFMURJNYVSY-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@H]2COCCC[N@H+]2CC[NH3+])cc1 ZINC000616600021 350778762 /nfs/dbraw/zinc/77/87/62/350778762.db2.gz XFGJFMURJNYVSY-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ncco2)CC1 ZINC000616600321 350779760 /nfs/dbraw/zinc/77/97/60/350779760.db2.gz BTARPEVRMGBQQI-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ncco2)CC1 ZINC000616600321 350779762 /nfs/dbraw/zinc/77/97/62/350779762.db2.gz BTARPEVRMGBQQI-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccnn2)CC1 ZINC000616600772 350780492 /nfs/dbraw/zinc/78/04/92/350780492.db2.gz HSVUHGIFWVCHAY-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccnn2)CC1 ZINC000616600772 350780496 /nfs/dbraw/zinc/78/04/96/350780496.db2.gz HSVUHGIFWVCHAY-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP Nc1cccc([C@H]2CCC[N@H+](CC[NH3+])CC2)n1 ZINC000616602151 350790609 /nfs/dbraw/zinc/79/06/09/350790609.db2.gz XUKPLVZGGIIEDA-NSHDSACASA-N 2 2 234.347 1.192 10 0 BDAELP Nc1cccc([C@H]2CCC[N@@H+](CC[NH3+])CC2)n1 ZINC000616602151 350790613 /nfs/dbraw/zinc/79/06/13/350790613.db2.gz XUKPLVZGGIIEDA-NSHDSACASA-N 2 2 234.347 1.192 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc(CO)c1 ZINC000616606997 350798941 /nfs/dbraw/zinc/79/89/41/350798941.db2.gz BHQCNZCOAFUPEU-ZDUSSCGKSA-N 2 2 220.316 1.275 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc(CO)c1 ZINC000616606997 350798944 /nfs/dbraw/zinc/79/89/44/350798944.db2.gz BHQCNZCOAFUPEU-ZDUSSCGKSA-N 2 2 220.316 1.275 10 0 BDAELP CNc1ccc([C@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616608517 350804361 /nfs/dbraw/zinc/80/43/61/350804361.db2.gz UTHGIIDSTMUVQS-CYBMUJFWSA-N 2 2 219.332 1.824 10 0 BDAELP CNc1ccc([C@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616608517 350804366 /nfs/dbraw/zinc/80/43/66/350804366.db2.gz UTHGIIDSTMUVQS-CYBMUJFWSA-N 2 2 219.332 1.824 10 0 BDAELP CNc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616608425 350804639 /nfs/dbraw/zinc/80/46/39/350804639.db2.gz UTHGIIDSTMUVQS-ZDUSSCGKSA-N 2 2 219.332 1.824 10 0 BDAELP CNc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616608425 350804641 /nfs/dbraw/zinc/80/46/41/350804641.db2.gz UTHGIIDSTMUVQS-ZDUSSCGKSA-N 2 2 219.332 1.824 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc(CCO)c1 ZINC000616615393 350846869 /nfs/dbraw/zinc/84/68/69/350846869.db2.gz XTKBBDRQQHMSLD-OAHLLOKOSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc(CCO)c1 ZINC000616615393 350846872 /nfs/dbraw/zinc/84/68/72/350846872.db2.gz XTKBBDRQQHMSLD-OAHLLOKOSA-N 2 2 248.370 1.707 10 0 BDAELP C[C@@H]1CC[C@@]1(C[NH3+])[NH+]1CCSCC1 ZINC000306704352 350852097 /nfs/dbraw/zinc/85/20/97/350852097.db2.gz DVCIGJOCNLQLNT-ZJUUUORDSA-N 2 2 200.351 1.163 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000306735378 350906219 /nfs/dbraw/zinc/90/62/19/350906219.db2.gz PFDXUTDXUYUUPD-IZRRHEBBSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000306735378 350906223 /nfs/dbraw/zinc/90/62/23/350906223.db2.gz PFDXUTDXUYUUPD-IZRRHEBBSA-N 2 2 202.729 1.941 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@H]1COCC[C@H]1[NH3+] ZINC000250253920 350878335 /nfs/dbraw/zinc/87/83/35/350878335.db2.gz XNLUAOBZKGUMSD-OLZOCXBDSA-N 2 2 220.316 1.235 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H]1COCC[C@H]1[NH3+] ZINC000250253920 350878339 /nfs/dbraw/zinc/87/83/39/350878339.db2.gz XNLUAOBZKGUMSD-OLZOCXBDSA-N 2 2 220.316 1.235 10 0 BDAELP Cc1[nH+]cc(C[NH3+])n1Cc1cncs1 ZINC000159783610 351001807 /nfs/dbraw/zinc/00/18/07/351001807.db2.gz WTDHUPQWNKOMTJ-UHFFFAOYSA-N 2 2 208.290 1.155 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccc2CO)C1 ZINC000616621463 351034648 /nfs/dbraw/zinc/03/46/48/351034648.db2.gz OQRBXFGOARLRJJ-LBPRGKRZSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccccc2CO)C1 ZINC000616621463 351034650 /nfs/dbraw/zinc/03/46/50/351034650.db2.gz OQRBXFGOARLRJJ-LBPRGKRZSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000616623177 351088447 /nfs/dbraw/zinc/08/84/47/351088447.db2.gz CBCZXRGSORLQCU-CYBMUJFWSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccncc1 ZINC000616623177 351088450 /nfs/dbraw/zinc/08/84/50/351088450.db2.gz CBCZXRGSORLQCU-CYBMUJFWSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccnc2)CC1 ZINC000616627553 351095746 /nfs/dbraw/zinc/09/57/46/351095746.db2.gz HIXCJVNYIPLLQG-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccnc2)CC1 ZINC000616627553 351095748 /nfs/dbraw/zinc/09/57/48/351095748.db2.gz HIXCJVNYIPLLQG-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616627549 351095875 /nfs/dbraw/zinc/09/58/75/351095875.db2.gz KKKXNHKBCYNCRU-ZDUSSCGKSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616627549 351095878 /nfs/dbraw/zinc/09/58/78/351095878.db2.gz KKKXNHKBCYNCRU-ZDUSSCGKSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](C(F)(F)F)C1 ZINC000616628263 351097965 /nfs/dbraw/zinc/09/79/65/351097965.db2.gz IMLBJICTKZSMSH-MRVPVSSYSA-N 2 2 210.243 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](C(F)(F)F)C1 ZINC000616628263 351097969 /nfs/dbraw/zinc/09/79/69/351097969.db2.gz IMLBJICTKZSMSH-MRVPVSSYSA-N 2 2 210.243 1.610 10 0 BDAELP CC(C)[N@@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616687341 351258283 /nfs/dbraw/zinc/25/82/83/351258283.db2.gz VQNHZNHIOVZJAP-NSHDSACASA-N 2 2 209.293 1.512 10 0 BDAELP CC(C)[N@H+]1CCO[C@H](n2cc[nH+]c2)CC1 ZINC000616687341 351258285 /nfs/dbraw/zinc/25/82/85/351258285.db2.gz VQNHZNHIOVZJAP-NSHDSACASA-N 2 2 209.293 1.512 10 0 BDAELP CC(C)[N@@H+]1CCOC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616660599 351212638 /nfs/dbraw/zinc/21/26/38/351212638.db2.gz OCZZHTPHGXYXNP-SNVBAGLBSA-N 2 2 209.293 1.234 10 0 BDAELP CC(C)[N@H+]1CCOC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616660599 351212642 /nfs/dbraw/zinc/21/26/42/351212642.db2.gz OCZZHTPHGXYXNP-SNVBAGLBSA-N 2 2 209.293 1.234 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1cc(F)cc(Cl)c1 ZINC000168282062 351366818 /nfs/dbraw/zinc/36/68/18/351366818.db2.gz DYMUNZZYGCMRNE-SECBINFHSA-N 2 2 202.660 1.698 10 0 BDAELP C[C@H]1CC[N@H+](C2CSC2)[C@H](C[NH3+])C1 ZINC000306971859 351393997 /nfs/dbraw/zinc/39/39/97/351393997.db2.gz SUTXYLLYAGZQDR-IUCAKERBSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1CC[N@@H+](C2CSC2)[C@H](C[NH3+])C1 ZINC000306971859 351394003 /nfs/dbraw/zinc/39/40/03/351394003.db2.gz SUTXYLLYAGZQDR-IUCAKERBSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1[NH2+]CCC[C@@H]1[NH+]1CCSCC1 ZINC000307009518 351416784 /nfs/dbraw/zinc/41/67/84/351416784.db2.gz INBUYJAGTQWDOS-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000232008593 351505605 /nfs/dbraw/zinc/50/56/05/351505605.db2.gz WJWQHBJCNRSDNV-VCQGXKKCSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000232008593 351505609 /nfs/dbraw/zinc/50/56/09/351505609.db2.gz WJWQHBJCNRSDNV-VCQGXKKCSA-N 2 2 202.729 1.798 10 0 BDAELP [NH3+][C@H](c1ccc(O)cc1)[C@@H]([NH3+])c1ccc(O)cc1 ZINC000006528011 363097355 /nfs/dbraw/zinc/09/73/55/363097355.db2.gz FQRUNJQARWTBBE-OKILXGFUSA-N 2 2 244.294 1.798 10 0 BDAELP C[C@@H]1CS[C@@](C)([C@@H]2CCCC[NH2+]2)[NH2+]1 ZINC000307373538 352471995 /nfs/dbraw/zinc/47/19/95/352471995.db2.gz SGWZBFOOQXUAPO-UTLUCORTSA-N 2 2 200.351 1.570 10 0 BDAELP CC1(C)C[N@H+](C/C=C/Cl)CC[C@@H]1[NH3+] ZINC000307387173 352547281 /nfs/dbraw/zinc/54/72/81/352547281.db2.gz METUZBKWTYAWGG-SGRBOOSSSA-N 2 2 202.729 1.798 10 0 BDAELP CC1(C)C[N@@H+](C/C=C/Cl)CC[C@@H]1[NH3+] ZINC000307387173 352547285 /nfs/dbraw/zinc/54/72/85/352547285.db2.gz METUZBKWTYAWGG-SGRBOOSSSA-N 2 2 202.729 1.798 10 0 BDAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C)COC ZINC000232397909 352650164 /nfs/dbraw/zinc/65/01/64/352650164.db2.gz GCIUVRFQZDNWFR-AWEZNQCLSA-N 2 2 236.359 1.743 10 0 BDAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C)COC ZINC000232397909 352650169 /nfs/dbraw/zinc/65/01/69/352650169.db2.gz GCIUVRFQZDNWFR-AWEZNQCLSA-N 2 2 236.359 1.743 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000307601616 352667686 /nfs/dbraw/zinc/66/76/86/352667686.db2.gz VCDDVEGYCZDYFD-VWYCJHECSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000307601616 352667687 /nfs/dbraw/zinc/66/76/87/352667687.db2.gz VCDDVEGYCZDYFD-VWYCJHECSA-N 2 2 200.326 1.079 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336754650 353145405 /nfs/dbraw/zinc/14/54/05/353145405.db2.gz FTRYHXVZJHYGRF-OLZOCXBDSA-N 2 2 226.364 1.487 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336754650 353145406 /nfs/dbraw/zinc/14/54/06/353145406.db2.gz FTRYHXVZJHYGRF-OLZOCXBDSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)N(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250476248 188259035 /nfs/dbraw/zinc/25/90/35/188259035.db2.gz ALGKZHWYOUEXIA-RYUDHWBXSA-N 2 2 241.379 1.055 10 0 BDAELP CC(C)N(C)C(=O)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250476248 188259037 /nfs/dbraw/zinc/25/90/37/188259037.db2.gz ALGKZHWYOUEXIA-RYUDHWBXSA-N 2 2 241.379 1.055 10 0 BDAELP CC(C)(C)[C@](C)(C[NH3+])[NH+]1CCOCC1 ZINC000026510845 188254189 /nfs/dbraw/zinc/25/41/89/188254189.db2.gz BOGHRHBLJJUQPT-NSHDSACASA-N 2 2 200.326 1.082 10 0 BDAELP C[NH+](C)c1ccc(N2CCC[NH2+]CC2)cc1 ZINC000035298403 188285226 /nfs/dbraw/zinc/28/52/26/188285226.db2.gz ZDKNRHWBSUGZPO-UHFFFAOYSA-N 2 2 219.332 1.552 10 0 BDAELP CC(C)[N@@H+]1CC[C@@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000045135347 188298133 /nfs/dbraw/zinc/29/81/33/188298133.db2.gz DNLQGFSHAVWUKW-LBPRGKRZSA-N 3 2 225.380 1.140 10 0 BDAELP CC(C)[N@H+]1CC[C@@H](C[NH+]2CCC([NH3+])CC2)C1 ZINC000045135347 188298134 /nfs/dbraw/zinc/29/81/34/188298134.db2.gz DNLQGFSHAVWUKW-LBPRGKRZSA-N 3 2 225.380 1.140 10 0 BDAELP CC(C)[N@H+](C)[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043126529 188325035 /nfs/dbraw/zinc/32/50/35/188325035.db2.gz QMYSWUITEGQMHN-MWLCHTKSSA-N 2 2 210.325 1.149 10 0 BDAELP CC(C)[N@@H+](C)[C@@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000043126529 188325036 /nfs/dbraw/zinc/32/50/36/188325036.db2.gz QMYSWUITEGQMHN-MWLCHTKSSA-N 2 2 210.325 1.149 10 0 BDAELP c1ccc2c(c1)OC[C@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335222519 355063382 /nfs/dbraw/zinc/06/33/82/355063382.db2.gz HACUTPUBSIVZHW-MNOVXSKESA-N 2 2 218.300 1.114 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC000639266651 355324766 /nfs/dbraw/zinc/32/47/66/355324766.db2.gz KVYFXPVOYOPTSL-ZIAGYGMSSA-N 2 2 240.391 1.875 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](OC)C2CCCC2)C1 ZINC000639266651 355324769 /nfs/dbraw/zinc/32/47/69/355324769.db2.gz KVYFXPVOYOPTSL-ZIAGYGMSSA-N 2 2 240.391 1.875 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC)C2CCCC2)C1 ZINC000639266648 355326011 /nfs/dbraw/zinc/32/60/11/355326011.db2.gz KVYFXPVOYOPTSL-KGLIPLIRSA-N 2 2 240.391 1.875 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](OC)C2CCCC2)C1 ZINC000639266648 355326013 /nfs/dbraw/zinc/32/60/13/355326013.db2.gz KVYFXPVOYOPTSL-KGLIPLIRSA-N 2 2 240.391 1.875 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639268380 355328762 /nfs/dbraw/zinc/32/87/62/355328762.db2.gz ZUSCWSQHPIBTRH-RNJOBUHISA-N 2 2 208.349 1.716 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000639268380 355328765 /nfs/dbraw/zinc/32/87/65/355328765.db2.gz ZUSCWSQHPIBTRH-RNJOBUHISA-N 2 2 208.349 1.716 10 0 BDAELP NC(=[NH2+])CC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000042548203 181186465 /nfs/dbraw/zinc/18/64/65/181186465.db2.gz NPWPQQGORREAOK-UHFFFAOYSA-N 3 2 235.335 1.064 10 0 BDAELP NC(=[NH2+])CC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000042548203 181186468 /nfs/dbraw/zinc/18/64/68/181186468.db2.gz NPWPQQGORREAOK-UHFFFAOYSA-N 3 2 235.335 1.064 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](OC)C1 ZINC000233144322 355458006 /nfs/dbraw/zinc/45/80/06/355458006.db2.gz NFDVMFDQXZDFEW-UPJWGTAASA-N 2 2 226.364 1.628 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](OC)C1 ZINC000233144322 355458008 /nfs/dbraw/zinc/45/80/08/355458008.db2.gz NFDVMFDQXZDFEW-UPJWGTAASA-N 2 2 226.364 1.628 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccc(F)c(F)c2)C[NH2+]C1 ZINC000675077924 538513259 /nfs/dbraw/zinc/51/32/59/538513259.db2.gz KAEDOVQYMGHMJK-SECBINFHSA-N 2 2 210.227 1.279 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2scnc2Cl)C[NH2+]C1 ZINC000675077899 538514613 /nfs/dbraw/zinc/51/46/13/538514613.db2.gz JVWSONOFBXFCRF-SSDOTTSWSA-N 2 2 229.736 1.196 10 0 BDAELP [NH3+][C@H]1C=C(c2cnc(C3CC3)s2)C[NH2+]C1 ZINC000675077873 538515504 /nfs/dbraw/zinc/51/55/04/538515504.db2.gz JNDWCKWSSDQASX-VIFPVBQESA-N 2 2 221.329 1.334 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccc(Cl)cc2F)C[NH2+]C1 ZINC000675079348 538517606 /nfs/dbraw/zinc/51/76/06/538517606.db2.gz XVTBDVTVHHOGHL-SECBINFHSA-N 2 2 226.682 1.793 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000389485971 356691852 /nfs/dbraw/zinc/69/18/52/356691852.db2.gz YMDOCQKMWJJFTE-ZIAGYGMSSA-N 2 2 240.391 1.611 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000389485971 356691856 /nfs/dbraw/zinc/69/18/56/356691856.db2.gz YMDOCQKMWJJFTE-ZIAGYGMSSA-N 2 2 240.391 1.611 10 0 BDAELP [NH3+][C@H]1C=C(c2ccc(F)c(F)c2)C[NH2+]C1 ZINC000675077925 538513119 /nfs/dbraw/zinc/51/31/19/538513119.db2.gz KAEDOVQYMGHMJK-VIFPVBQESA-N 2 2 210.227 1.279 10 0 BDAELP CCC[NH+](CCC)[C@@H]1CC[NH2+]C[C@H]1F ZINC000685948979 538891659 /nfs/dbraw/zinc/89/16/59/538891659.db2.gz ZCZXOBFBZPGXBK-GHMZBOCLSA-N 2 2 202.317 1.808 10 0 BDAELP CCC[NH+](CCC)[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948981 538891879 /nfs/dbraw/zinc/89/18/79/538891879.db2.gz ZCZXOBFBZPGXBK-QWRGUYRKSA-N 2 2 202.317 1.808 10 0 BDAELP Cc1cc(C[NH2+]CCn2cc[nH+]c2)cc(C)c1O ZINC000041063312 358242085 /nfs/dbraw/zinc/24/20/85/358242085.db2.gz SHMGPHXTWINIFJ-UHFFFAOYSA-N 2 2 245.326 1.995 10 0 BDAELP Nc1cc2c(c[nH+]1)[nH]cc2C1CC[NH2+]CC1 ZINC000380626907 358892077 /nfs/dbraw/zinc/89/20/77/358892077.db2.gz CZBJQQOBYSDIDA-UHFFFAOYSA-N 2 2 216.288 1.442 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000246933570 359195491 /nfs/dbraw/zinc/19/54/91/359195491.db2.gz HFBQNYZXKZNCGD-HZSPNIEDSA-N 2 2 242.407 1.977 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CSC2)C1 ZINC000306312505 359593449 /nfs/dbraw/zinc/59/34/49/359593449.db2.gz NNENFPPSUDATFF-KOLCDFICSA-N 2 2 214.378 1.420 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CSC2)C1 ZINC000306312505 359593456 /nfs/dbraw/zinc/59/34/56/359593456.db2.gz NNENFPPSUDATFF-KOLCDFICSA-N 2 2 214.378 1.420 10 0 BDAELP CC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090917153 360093841 /nfs/dbraw/zinc/09/38/41/360093841.db2.gz HZOVGOKQYSCHJE-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090917153 360093842 /nfs/dbraw/zinc/09/38/42/360093842.db2.gz HZOVGOKQYSCHJE-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC000306520461 360344604 /nfs/dbraw/zinc/34/46/04/360344604.db2.gz DRDJZOFWVTXNDD-BBBLOLIVSA-N 2 2 200.351 1.080 10 0 BDAELP C[NH2+]C1(C[N@@H+]2CCSC[C@@H]2C)CCC1 ZINC000306568329 360449687 /nfs/dbraw/zinc/44/96/87/360449687.db2.gz UOUUJTGCDANCOR-JTQLQIEISA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+]C1(C[N@H+]2CCSC[C@@H]2C)CCC1 ZINC000306568329 360449692 /nfs/dbraw/zinc/44/96/92/360449692.db2.gz UOUUJTGCDANCOR-JTQLQIEISA-N 2 2 214.378 1.566 10 0 BDAELP [NH3+][C@H]1CCC[N@H+](CCc2ccsc2)C1 ZINC000070559391 361536394 /nfs/dbraw/zinc/53/63/94/361536394.db2.gz RLIQUONXHKHIKD-NSHDSACASA-N 2 2 210.346 1.714 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+](CCc2ccsc2)C1 ZINC000070559391 361536398 /nfs/dbraw/zinc/53/63/98/361536398.db2.gz RLIQUONXHKHIKD-NSHDSACASA-N 2 2 210.346 1.714 10 0 BDAELP [NH3+]C1CC([NH2+]c2cc3ccccc3c(=O)[nH]2)C1 ZINC000037757267 181340150 /nfs/dbraw/zinc/34/01/50/181340150.db2.gz FGHNLZPBRVNOSP-UHFFFAOYSA-N 2 2 229.283 1.430 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1C[C@]1(C)CCC[NH2+]1 ZINC000070619991 361642441 /nfs/dbraw/zinc/64/24/41/361642441.db2.gz AHRFEUPPIRJADD-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1CSCC[N@H+]1C[C@]1(C)CCC[NH2+]1 ZINC000070619991 361642448 /nfs/dbraw/zinc/64/24/48/361642448.db2.gz AHRFEUPPIRJADD-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP [NH3+]C1CC[NH+](Cc2nc3ccccc3o2)CC1 ZINC000036754740 181345160 /nfs/dbraw/zinc/34/51/60/181345160.db2.gz YJNGBUYQJRPYNI-UHFFFAOYSA-N 2 2 231.299 1.751 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cccc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630361897 364081173 /nfs/dbraw/zinc/08/11/73/364081173.db2.gz NMFGUYXGGFECGB-CABCVRRESA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cccc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630361897 364081179 /nfs/dbraw/zinc/08/11/79/364081179.db2.gz NMFGUYXGGFECGB-CABCVRRESA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630364016 364082369 /nfs/dbraw/zinc/08/23/69/364082369.db2.gz OEPIVCKEFRZRDX-QWHCGFSZSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630364016 364082375 /nfs/dbraw/zinc/08/23/75/364082375.db2.gz OEPIVCKEFRZRDX-QWHCGFSZSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cncc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364085 364083232 /nfs/dbraw/zinc/08/32/32/364083232.db2.gz CMPMYPOVNQWSOC-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cncc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364085 364083236 /nfs/dbraw/zinc/08/32/36/364083236.db2.gz CMPMYPOVNQWSOC-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP Cc1cccc(NCC2([NH3+])CCOCC2)[nH+]1 ZINC000630526421 364213484 /nfs/dbraw/zinc/21/34/84/364213484.db2.gz LCBGDKOOJRPXPQ-UHFFFAOYSA-N 2 2 221.304 1.310 10 0 BDAELP C[C@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1C[NH3+] ZINC000630555012 364253637 /nfs/dbraw/zinc/25/36/37/364253637.db2.gz XZSFWANMSZWGMR-WDEREUQCSA-N 2 2 244.342 1.604 10 0 BDAELP C[C@H]1C[C@@H]([NH3+])CN1c1[nH+]c2ccccc2n1C ZINC000630559177 364259746 /nfs/dbraw/zinc/25/97/46/364259746.db2.gz PLVUYYDZVUNAEF-VHSXEESVSA-N 2 2 230.315 1.499 10 0 BDAELP C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@H]1C[NH3+] ZINC000630575024 364273111 /nfs/dbraw/zinc/27/31/11/364273111.db2.gz WTIYIBPHOVUBCA-UWVGGRQHSA-N 2 2 230.315 1.594 10 0 BDAELP C[N@H+](CCC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000037478507 541376893 /nfs/dbraw/zinc/37/68/93/541376893.db2.gz GVRDDZFFYKUZNC-UHFFFAOYSA-N 3 2 225.380 1.155 10 0 BDAELP C[N@@H+](CCC[NH2+]C1CC1)C1CC[NH+](C)CC1 ZINC000037478507 541376894 /nfs/dbraw/zinc/37/68/94/541376894.db2.gz GVRDDZFFYKUZNC-UHFFFAOYSA-N 3 2 225.380 1.155 10 0 BDAELP [NH3+]CCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000037006895 181374406 /nfs/dbraw/zinc/37/44/06/181374406.db2.gz NGTABRAGWAFNOU-UHFFFAOYSA-N 2 2 244.298 1.550 10 0 BDAELP Nc1[nH+]ccc2c(OCCC[NH3+])cccc12 ZINC000090609708 181384784 /nfs/dbraw/zinc/38/47/84/181384784.db2.gz CHLONWCWOCGKCI-UHFFFAOYSA-N 2 2 217.272 1.545 10 0 BDAELP [NH3+]CC[NH2+]Cc1ccc(Br)cc1F ZINC000037712751 181396159 /nfs/dbraw/zinc/39/61/59/181396159.db2.gz YZDXIOYOGQOXMR-UHFFFAOYSA-N 2 2 247.111 1.637 10 0 BDAELP [NH3+]CCOCCc1ccc2[nH]c(C3CC3)[nH+]c2c1 ZINC000077399920 181399237 /nfs/dbraw/zinc/39/92/37/181399237.db2.gz QMSLSONMQOJLGF-UHFFFAOYSA-N 2 2 245.326 1.958 10 0 BDAELP [NH3+]CCOCCc1ccc2[nH+]c(C3CC3)[nH]c2c1 ZINC000077399920 181399239 /nfs/dbraw/zinc/39/92/39/181399239.db2.gz QMSLSONMQOJLGF-UHFFFAOYSA-N 2 2 245.326 1.958 10 0 BDAELP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000384019325 367668312 /nfs/dbraw/zinc/66/83/12/367668312.db2.gz RGTFAFJYDWGFFC-IUCAKERBSA-N 2 2 224.308 1.149 10 0 BDAELP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000384019325 367668317 /nfs/dbraw/zinc/66/83/17/367668317.db2.gz RGTFAFJYDWGFFC-IUCAKERBSA-N 2 2 224.308 1.149 10 0 BDAELP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000384019324 367668354 /nfs/dbraw/zinc/66/83/54/367668354.db2.gz RGTFAFJYDWGFFC-DTWKUNHWSA-N 2 2 224.308 1.149 10 0 BDAELP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000384019324 367668361 /nfs/dbraw/zinc/66/83/61/367668361.db2.gz RGTFAFJYDWGFFC-DTWKUNHWSA-N 2 2 224.308 1.149 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384608650 367707611 /nfs/dbraw/zinc/70/76/11/367707611.db2.gz OQMWVJHORRKAOV-FVCCEPFGSA-N 2 2 226.364 1.626 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1 ZINC000384608650 367707618 /nfs/dbraw/zinc/70/76/18/367707618.db2.gz OQMWVJHORRKAOV-FVCCEPFGSA-N 2 2 226.364 1.626 10 0 BDAELP CCn1cc[nH+]c1Cn1cc(C)[nH+]c1C ZINC000631014718 370894722 /nfs/dbraw/zinc/89/47/22/370894722.db2.gz XKIIIKCGYMSWTQ-UHFFFAOYSA-N 2 2 204.277 1.765 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CSCC[NH2+]2)CCS1 ZINC000252982793 368178253 /nfs/dbraw/zinc/17/82/53/368178253.db2.gz YAHFPBPVFDNRRC-ZJUUUORDSA-N 2 2 232.418 1.129 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CSCC[NH2+]2)CCS1 ZINC000252982793 368178260 /nfs/dbraw/zinc/17/82/60/368178260.db2.gz YAHFPBPVFDNRRC-ZJUUUORDSA-N 2 2 232.418 1.129 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(Br)c(F)c1 ZINC000161388506 368141937 /nfs/dbraw/zinc/14/19/37/368141937.db2.gz ZUMWLCGNDNBBNM-SECBINFHSA-N 2 2 247.111 1.807 10 0 BDAELP C[C@@H]1C[NH2+][C@@]2(CC[NH2+]C[C@H]2C)SC1 ZINC000253215628 368623662 /nfs/dbraw/zinc/62/36/62/368623662.db2.gz COQXISBCUBLWCC-BBBLOLIVSA-N 2 2 200.351 1.285 10 0 BDAELP C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cncs1 ZINC000161677072 370958595 /nfs/dbraw/zinc/95/85/95/370958595.db2.gz XFVRBMMWRQSIIZ-SCZZXKLOSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cncs1 ZINC000161677072 370958597 /nfs/dbraw/zinc/95/85/97/370958597.db2.gz XFVRBMMWRQSIIZ-SCZZXKLOSA-N 2 2 211.334 1.355 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000113267003 370396999 /nfs/dbraw/zinc/39/69/99/370396999.db2.gz IMTDMULNWKJKHN-OAHLLOKOSA-N 2 2 248.370 1.805 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C)cc2)C1 ZINC000113267003 370397005 /nfs/dbraw/zinc/39/70/05/370397005.db2.gz IMTDMULNWKJKHN-OAHLLOKOSA-N 2 2 248.370 1.805 10 0 BDAELP C[C@@H]1CC[NH2+][C@H]1C[NH+]1CCSCC1 ZINC000226855367 371751577 /nfs/dbraw/zinc/75/15/77/371751577.db2.gz UIVSPAVVMRBCRT-ZJUUUORDSA-N 2 2 200.351 1.033 10 0 BDAELP CC[C@@H]([NH3+])[C@H](CO)[N@H+](C)Cc1ccccc1 ZINC000163211903 371953506 /nfs/dbraw/zinc/95/35/06/371953506.db2.gz RFVXHHBFPMCKHD-OLZOCXBDSA-N 2 2 222.332 1.217 10 0 BDAELP CC[C@@H]([NH3+])[C@H](CO)[N@@H+](C)Cc1ccccc1 ZINC000163211903 371953510 /nfs/dbraw/zinc/95/35/10/371953510.db2.gz RFVXHHBFPMCKHD-OLZOCXBDSA-N 2 2 222.332 1.217 10 0 BDAELP CC1(C)C[NH+](C2(C[NH3+])CCSCC2)C1 ZINC000307451082 372122205 /nfs/dbraw/zinc/12/22/05/372122205.db2.gz RWCGWSPEQKZWKH-UHFFFAOYSA-N 2 2 214.378 1.553 10 0 BDAELP Cc1nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)co1 ZINC000631837032 372616562 /nfs/dbraw/zinc/61/65/62/372616562.db2.gz LVLDELSIEXVYRK-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)co1 ZINC000631837032 372616569 /nfs/dbraw/zinc/61/65/69/372616569.db2.gz LVLDELSIEXVYRK-SCZZXKLOSA-N 2 2 209.293 1.010 10 0 BDAELP C[C@H]1C[N@H+](Cc2cncc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837972 372629341 /nfs/dbraw/zinc/62/93/41/372629341.db2.gz YKBATVUSDCACRG-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837972 372629349 /nfs/dbraw/zinc/62/93/49/372629349.db2.gz YKBATVUSDCACRG-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP Cc1nc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631838470 372632517 /nfs/dbraw/zinc/63/25/17/372632517.db2.gz OZRXUPDUZNNGFT-SCZZXKLOSA-N 2 2 225.361 1.478 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631838470 372632521 /nfs/dbraw/zinc/63/25/21/372632521.db2.gz OZRXUPDUZNNGFT-SCZZXKLOSA-N 2 2 225.361 1.478 10 0 BDAELP CCCc1noc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841960 372638036 /nfs/dbraw/zinc/63/80/36/372638036.db2.gz SJGHTHQZAIVVAC-UWVGGRQHSA-N 2 2 238.335 1.049 10 0 BDAELP CCCc1noc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841960 372638041 /nfs/dbraw/zinc/63/80/41/372638041.db2.gz SJGHTHQZAIVVAC-UWVGGRQHSA-N 2 2 238.335 1.049 10 0 BDAELP OC1(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000333560026 183015456 /nfs/dbraw/zinc/01/54/56/183015456.db2.gz RLMSYIDVZTVSAM-UHFFFAOYSA-N 2 2 235.331 1.504 10 0 BDAELP OC[C@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117347 183144738 /nfs/dbraw/zinc/14/47/38/183144738.db2.gz FENBQKBBJMQWAQ-CYBMUJFWSA-N 2 2 220.316 1.015 10 0 BDAELP OC[C@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000038117347 183144739 /nfs/dbraw/zinc/14/47/39/183144739.db2.gz FENBQKBBJMQWAQ-CYBMUJFWSA-N 2 2 220.316 1.015 10 0 BDAELP CCC[N@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226430 169086554 /nfs/dbraw/zinc/08/65/54/169086554.db2.gz VILUGXIUAPHXBI-NSHDSACASA-N 2 2 236.315 1.757 10 0 BDAELP CCC[N@@H+](C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000020226430 169086555 /nfs/dbraw/zinc/08/65/55/169086555.db2.gz VILUGXIUAPHXBI-NSHDSACASA-N 2 2 236.315 1.757 10 0 BDAELP CCC[N@H+](CC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000032090016 169157752 /nfs/dbraw/zinc/15/77/52/169157752.db2.gz ZSSISRWPVNPOHA-UHFFFAOYSA-N 2 2 236.315 1.586 10 0 BDAELP CCC[N@@H+](CC[NH3+])Cc1ccc2c(c1)OCO2 ZINC000032090016 169157754 /nfs/dbraw/zinc/15/77/54/169157754.db2.gz ZSSISRWPVNPOHA-UHFFFAOYSA-N 2 2 236.315 1.586 10 0 BDAELP CCC[N@H+](CCO)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901986 169167439 /nfs/dbraw/zinc/16/74/39/169167439.db2.gz PSAQIFNEULFQNO-TZMCWYRMSA-N 2 2 236.359 1.779 10 0 BDAELP CCC[N@@H+](CCO)[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042901986 169167441 /nfs/dbraw/zinc/16/74/41/169167441.db2.gz PSAQIFNEULFQNO-TZMCWYRMSA-N 2 2 236.359 1.779 10 0 BDAELP CCC[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)CC[NH+](C)C)C1 ZINC000053032727 169261965 /nfs/dbraw/zinc/26/19/65/169261965.db2.gz WKGREPIALNFHOV-KBPBESRZSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)CC[NH+](C)C)C1 ZINC000053032727 169261966 /nfs/dbraw/zinc/26/19/66/169261966.db2.gz WKGREPIALNFHOV-KBPBESRZSA-N 3 2 241.423 1.648 10 0 BDAELP CNc1cc(C)[nH+]c(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)n1 ZINC000091997824 384158032 /nfs/dbraw/zinc/15/80/32/384158032.db2.gz UCYWJGHIUALCCO-MNOVXSKESA-N 2 2 247.346 1.000 10 0 BDAELP Clc1nccc(C[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000095070139 384335073 /nfs/dbraw/zinc/33/50/73/384335073.db2.gz HKGYMIDMXSFBAG-VIFPVBQESA-N 2 2 240.738 1.219 10 0 BDAELP C[N@@H+](Cc1cncs1)C[C@H]1CCC[NH2+]C1 ZINC000095071157 384338888 /nfs/dbraw/zinc/33/88/88/384338888.db2.gz GOVTURHONCZKSA-JTQLQIEISA-N 2 2 225.361 1.575 10 0 BDAELP C[N@H+](Cc1cncs1)C[C@H]1CCC[NH2+]C1 ZINC000095071157 384338899 /nfs/dbraw/zinc/33/88/99/384338899.db2.gz GOVTURHONCZKSA-JTQLQIEISA-N 2 2 225.361 1.575 10 0 BDAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000061590690 384520691 /nfs/dbraw/zinc/52/06/91/384520691.db2.gz ROTLVPOVCGAQPS-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+][C@H]1CCC[N@H+]([C@@H]2CCCSC2)C1 ZINC000061590690 384520694 /nfs/dbraw/zinc/52/06/94/384520694.db2.gz ROTLVPOVCGAQPS-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP [NH3+]CCCNc1cc(C(F)(F)F)cc[nH+]1 ZINC000085486097 384527995 /nfs/dbraw/zinc/52/79/95/384527995.db2.gz NREGHUCDISGGPH-UHFFFAOYSA-N 2 2 219.210 1.861 10 0 BDAELP C[NH+](C)[C@H](C[NH3+])c1c[nH]c2c1cccc2F ZINC000082599010 384696343 /nfs/dbraw/zinc/69/63/43/384696343.db2.gz WYWNCUAKNSAXCL-LLVKDONJSA-N 2 2 221.279 1.868 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1c(F)cccc1C(F)(F)F ZINC000072201027 384816939 /nfs/dbraw/zinc/81/69/39/384816939.db2.gz PVMVSSVWEBABDP-SSDOTTSWSA-N 2 2 222.185 1.803 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1c(F)cccc1Br ZINC000072201275 384814287 /nfs/dbraw/zinc/81/42/87/384814287.db2.gz DNFBZWKYGBWUSR-SSDOTTSWSA-N 2 2 233.084 1.547 10 0 BDAELP C[C@H]([NH3+])[C@H](C)[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000336097136 384888423 /nfs/dbraw/zinc/88/84/23/384888423.db2.gz SOXJPYCZCCUBAS-YUMQZZPRSA-N 2 2 204.277 1.132 10 0 BDAELP C[N@H+](Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000043501393 384861637 /nfs/dbraw/zinc/86/16/37/384861637.db2.gz LHDZYFLTYNGVSP-SNVBAGLBSA-N 2 2 210.346 1.932 10 0 BDAELP C[N@@H+](Cc1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000043501393 384861644 /nfs/dbraw/zinc/86/16/44/384861644.db2.gz LHDZYFLTYNGVSP-SNVBAGLBSA-N 2 2 210.346 1.932 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711556 385073214 /nfs/dbraw/zinc/07/32/14/385073214.db2.gz GTXHNPWDYKJJAG-QMMMGPOBSA-N 2 2 204.195 1.323 10 0 BDAELP CC(=O)CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154561227 385337362 /nfs/dbraw/zinc/33/73/62/385337362.db2.gz YPOWRYHWGJMKHP-CYBMUJFWSA-N 2 2 235.331 1.635 10 0 BDAELP CC(=O)CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154561227 385337365 /nfs/dbraw/zinc/33/73/65/385337365.db2.gz YPOWRYHWGJMKHP-CYBMUJFWSA-N 2 2 235.331 1.635 10 0 BDAELP Cc1cnc([C@H](C)[NH2+]CCn2cc[nH+]c2)o1 ZINC000309390752 385558851 /nfs/dbraw/zinc/55/88/51/385558851.db2.gz FUIFBZZRVIEHFW-JTQLQIEISA-N 2 2 220.276 1.530 10 0 BDAELP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C3COC3)C2)cc1 ZINC000309652236 385770340 /nfs/dbraw/zinc/77/03/40/385770340.db2.gz HELXZTHLDZHVEA-AWEZNQCLSA-N 2 2 246.354 1.497 10 0 BDAELP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3COC3)C2)cc1 ZINC000309652236 385770343 /nfs/dbraw/zinc/77/03/43/385770343.db2.gz HELXZTHLDZHVEA-AWEZNQCLSA-N 2 2 246.354 1.497 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000044471277 386780129 /nfs/dbraw/zinc/78/01/29/386780129.db2.gz SRWAUGRZCSZKCN-QMMMGPOBSA-N 2 2 233.084 1.547 10 0 BDAELP CC[N@H+](C)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302765628 386937176 /nfs/dbraw/zinc/93/71/76/386937176.db2.gz LKFVAVDGWRSSQO-LBPRGKRZSA-N 2 2 246.358 1.884 10 0 BDAELP CC[N@@H+](C)[C@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302765628 386937179 /nfs/dbraw/zinc/93/71/79/386937179.db2.gz LKFVAVDGWRSSQO-LBPRGKRZSA-N 2 2 246.358 1.884 10 0 BDAELP c1[nH]cc(CC[NH2+]Cc2ccccc2)[nH+]1 ZINC000034349451 387051627 /nfs/dbraw/zinc/05/16/27/387051627.db2.gz GVOCXQUIZNWEMU-UHFFFAOYSA-N 2 2 201.273 1.742 10 0 BDAELP c1[nH]c(CC[NH2+]Cc2ccccc2)c[nH+]1 ZINC000034349451 387051632 /nfs/dbraw/zinc/05/16/32/387051632.db2.gz GVOCXQUIZNWEMU-UHFFFAOYSA-N 2 2 201.273 1.742 10 0 BDAELP CC1(C)CC[N@@H+]1C[C@H]1CSCC[NH2+]1 ZINC000575594077 387226443 /nfs/dbraw/zinc/22/64/43/387226443.db2.gz CZLPZKVQQNYUGZ-VIFPVBQESA-N 2 2 200.351 1.176 10 0 BDAELP CC1(C)CC[N@H+]1C[C@H]1CSCC[NH2+]1 ZINC000575594077 387226446 /nfs/dbraw/zinc/22/64/46/387226446.db2.gz CZLPZKVQQNYUGZ-VIFPVBQESA-N 2 2 200.351 1.176 10 0 BDAELP CC1C[NH+]([C@@]2(C[NH3+])CCCSC2)C1 ZINC000575493997 387286998 /nfs/dbraw/zinc/28/69/98/387286998.db2.gz NIWXEIXTXCGNJT-SNVBAGLBSA-N 2 2 200.351 1.163 10 0 BDAELP Cc1cnn(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000124105655 387604618 /nfs/dbraw/zinc/60/46/18/387604618.db2.gz CRHAVRLUMUVYKF-STQMWFEESA-N 2 2 248.374 1.406 10 0 BDAELP Cc1cnn(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000124105655 387604624 /nfs/dbraw/zinc/60/46/24/387604624.db2.gz CRHAVRLUMUVYKF-STQMWFEESA-N 2 2 248.374 1.406 10 0 BDAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324628842 388122362 /nfs/dbraw/zinc/12/23/62/388122362.db2.gz SFCWPFONDBHEBA-WDEREUQCSA-N 2 2 214.353 1.077 10 0 BDAELP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324628842 388122365 /nfs/dbraw/zinc/12/23/65/388122365.db2.gz SFCWPFONDBHEBA-WDEREUQCSA-N 2 2 214.353 1.077 10 0 BDAELP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)nc1 ZINC000334818857 388447708 /nfs/dbraw/zinc/44/77/08/388447708.db2.gz GZTJSDBQZALGMO-DGCLKSJQSA-N 2 2 219.332 1.620 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000397524398 388476228 /nfs/dbraw/zinc/47/62/28/388476228.db2.gz MNTJQNDGJJCCOR-YPMHNXCESA-N 2 2 247.342 1.189 10 0 BDAELP COC[C@@H](C)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000153360653 388967204 /nfs/dbraw/zinc/96/72/04/388967204.db2.gz NWZJCHPQHQOUPO-QWHCGFSZSA-N 2 2 230.396 1.835 10 0 BDAELP C[C@@H]1C[NH2+][C@]2(CC[NH2+][C@H](C)C2)SC1 ZINC000575511373 389009771 /nfs/dbraw/zinc/00/97/71/389009771.db2.gz DHFSNLWNWWSTCG-OPRDCNLKSA-N 2 2 200.351 1.427 10 0 BDAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400515198 533360756 /nfs/dbraw/zinc/36/07/56/533360756.db2.gz KJGSXJWNPURUCF-VXGBXAGGSA-N 3 2 225.380 1.058 10 0 BDAELP CC[C@@H](C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019403587 132324685 /nfs/dbraw/zinc/32/46/85/132324685.db2.gz XIEONGWSEGXCLQ-ZDUSSCGKSA-N 2 2 233.359 1.546 10 0 BDAELP C[C@@H]1CO[C@@H](C)CN1c1cc[nH+]c(C[NH3+])c1 ZINC000051396870 132360442 /nfs/dbraw/zinc/36/04/42/132360442.db2.gz LRNORWMVPQNTDO-ZJUUUORDSA-N 2 2 221.304 1.154 10 0 BDAELP Cc1cc(N2C[C@H](C[NH3+])CC[C@@H]2C)nc[nH+]1 ZINC000053704705 132363085 /nfs/dbraw/zinc/36/30/85/132363085.db2.gz DTJNSJGSQVOQDY-QWRGUYRKSA-N 2 2 220.320 1.349 10 0 BDAELP Cc1nc(N2CCCC[C@H]2C[NH2+]C2CC2)cc[nH+]1 ZINC000054937624 132365419 /nfs/dbraw/zinc/36/54/19/132365419.db2.gz DFSWRAORNMRRIO-ZDUSSCGKSA-N 2 2 246.358 1.896 10 0 BDAELP Cc1cc(N2CCC[N@@H+](C3CC3)CC2)nc(C)[nH+]1 ZINC000171831523 134260911 /nfs/dbraw/zinc/26/09/11/134260911.db2.gz GMKLTEWXXVXSGE-UHFFFAOYSA-N 2 2 246.358 1.768 10 0 BDAELP CC(C)=CC[NH2+]CCC[NH+]1CCOCC1 ZINC000219137779 134274653 /nfs/dbraw/zinc/27/46/53/134274653.db2.gz DXDQCUXILRSXCB-UHFFFAOYSA-N 2 2 212.337 1.265 10 0 BDAELP COCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178330077 134308490 /nfs/dbraw/zinc/30/84/90/134308490.db2.gz ZSVGVKCAPMOWIY-CYBMUJFWSA-N 2 2 237.347 1.692 10 0 BDAELP COCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178330077 134308491 /nfs/dbraw/zinc/30/84/91/134308491.db2.gz ZSVGVKCAPMOWIY-CYBMUJFWSA-N 2 2 237.347 1.692 10 0 BDAELP C[C@@H](C[NH2+]C1COC1)C[NH+]1CCCCC1 ZINC000087597344 135159160 /nfs/dbraw/zinc/15/91/60/135159160.db2.gz QZSXZAXBDCEFRE-NSHDSACASA-N 2 2 212.337 1.097 10 0 BDAELP C[C@H]1CC[N@H+](Cc2ccncc2)[C@H](C[NH3+])C1 ZINC000261533929 135166061 /nfs/dbraw/zinc/16/60/61/135166061.db2.gz LNJFYCTWRFQUJI-AAEUAGOBSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2ccncc2)[C@H](C[NH3+])C1 ZINC000261533929 135166062 /nfs/dbraw/zinc/16/60/62/135166062.db2.gz LNJFYCTWRFQUJI-AAEUAGOBSA-N 2 2 219.332 1.641 10 0 BDAELP C[C@@]1(C[N@@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929148 135263864 /nfs/dbraw/zinc/26/38/64/135263864.db2.gz CORDTRADEKJZMB-DGCLKSJQSA-N 3 2 225.380 1.045 10 0 BDAELP C[C@@]1(C[N@H+]2CC[C@@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929148 135263865 /nfs/dbraw/zinc/26/38/65/135263865.db2.gz CORDTRADEKJZMB-DGCLKSJQSA-N 3 2 225.380 1.045 10 0 BDAELP CC[N@@H+]1CCC[C@H]1CN(C)Cc1[nH+]ccn1C ZINC000175334607 397771550 /nfs/dbraw/zinc/77/15/50/397771550.db2.gz YFXAZJXINXUZEI-LBPRGKRZSA-N 2 2 236.363 1.336 10 0 BDAELP CC[N@H+]1CCC[C@H]1CN(C)Cc1[nH+]ccn1C ZINC000175334607 397771554 /nfs/dbraw/zinc/77/15/54/397771554.db2.gz YFXAZJXINXUZEI-LBPRGKRZSA-N 2 2 236.363 1.336 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1[nH+]ccn1C ZINC000175334586 397771874 /nfs/dbraw/zinc/77/18/74/397771874.db2.gz YFXAZJXINXUZEI-GFCCVEGCSA-N 2 2 236.363 1.336 10 0 BDAELP CC[N@H+]1CCC[C@@H]1CN(C)Cc1[nH+]ccn1C ZINC000175334586 397771878 /nfs/dbraw/zinc/77/18/78/397771878.db2.gz YFXAZJXINXUZEI-GFCCVEGCSA-N 2 2 236.363 1.336 10 0 BDAELP CO[C@@H](C[N@@H+]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000383078553 397998933 /nfs/dbraw/zinc/99/89/33/397998933.db2.gz IBXRXFRIFQLFEB-KBPBESRZSA-N 2 2 234.343 1.797 10 0 BDAELP CO[C@@H](C[N@H+]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000383078553 397998935 /nfs/dbraw/zinc/99/89/35/397998935.db2.gz IBXRXFRIFQLFEB-KBPBESRZSA-N 2 2 234.343 1.797 10 0 BDAELP C[NH2+]CCOCCNc1ccc2ccccc2[nH+]1 ZINC000630531455 398131718 /nfs/dbraw/zinc/13/17/18/398131718.db2.gz WZPPDRVWQSFMPT-UHFFFAOYSA-N 2 2 245.326 1.305 10 0 BDAELP COc1ccc[nH+]c1N[C@@H](CC[NH3+])C(F)F ZINC000383465401 487588801 /nfs/dbraw/zinc/58/88/01/487588801.db2.gz KRJLPJIHHLTLHB-ZETCQYMHSA-N 2 2 231.246 1.485 10 0 BDAELP CCc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)nc(C)[nH+]1 ZINC000214693120 410514808 /nfs/dbraw/zinc/51/48/08/410514808.db2.gz DLVIGYKGJZZXNY-PWSUYJOCSA-N 2 2 232.331 1.146 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000119783837 167028245 /nfs/dbraw/zinc/02/82/45/167028245.db2.gz VPXIDSCNRCACQX-RQJABVFESA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000119783837 167028248 /nfs/dbraw/zinc/02/82/48/167028248.db2.gz VPXIDSCNRCACQX-RQJABVFESA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[NH2+]Cc1csc(C[NH+](C)C)n1 ZINC000041046563 167121373 /nfs/dbraw/zinc/12/13/73/167121373.db2.gz AFCKHIYXGHDQCK-UHFFFAOYSA-N 2 2 213.350 1.703 10 0 BDAELP CC1([NH2+]C[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000045047246 168062359 /nfs/dbraw/zinc/06/23/59/168062359.db2.gz PCQZHUVKAQLNLX-NSHDSACASA-N 2 2 212.337 1.287 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](CC)C2)CO1 ZINC000657324523 411464550 /nfs/dbraw/zinc/46/45/50/411464550.db2.gz CFYCEUBLATVPTF-YNEHKIRRSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657324523 411464552 /nfs/dbraw/zinc/46/45/52/411464552.db2.gz CFYCEUBLATVPTF-YNEHKIRRSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCOC)C1 ZINC000336769764 170039366 /nfs/dbraw/zinc/03/93/66/170039366.db2.gz VBYNYKBBXBIALD-QJPTWQEYSA-N 2 2 214.353 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCOC)C1 ZINC000336769764 170039367 /nfs/dbraw/zinc/03/93/67/170039367.db2.gz VBYNYKBBXBIALD-QJPTWQEYSA-N 2 2 214.353 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000309959437 170039473 /nfs/dbraw/zinc/03/94/73/170039473.db2.gz KHIXCOIJICXYGL-UMSGYPCISA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000309959437 170039474 /nfs/dbraw/zinc/03/94/74/170039474.db2.gz KHIXCOIJICXYGL-UMSGYPCISA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000336778758 170039624 /nfs/dbraw/zinc/03/96/24/170039624.db2.gz MFSSFAHPOFQMHH-UMSGYPCISA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@H]2C)C1 ZINC000336778758 170039626 /nfs/dbraw/zinc/03/96/26/170039626.db2.gz MFSSFAHPOFQMHH-UMSGYPCISA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000336778921 170039941 /nfs/dbraw/zinc/03/99/41/170039941.db2.gz MRYFIHMWVZEGGX-UMSGYPCISA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000336778921 170039943 /nfs/dbraw/zinc/03/99/43/170039943.db2.gz MRYFIHMWVZEGGX-UMSGYPCISA-N 2 2 226.364 1.484 10 0 BDAELP CCNC(=O)[C@H](C)[N@H+](CC[NH3+])C1CCCCC1 ZINC000104312975 170092437 /nfs/dbraw/zinc/09/24/37/170092437.db2.gz RTHQSUFTPNKDHN-NSHDSACASA-N 2 2 241.379 1.104 10 0 BDAELP CCNC(=O)[C@H](C)[N@@H+](CC[NH3+])C1CCCCC1 ZINC000104312975 170092439 /nfs/dbraw/zinc/09/24/39/170092439.db2.gz RTHQSUFTPNKDHN-NSHDSACASA-N 2 2 241.379 1.104 10 0 BDAELP CC[NH2+]CCC[NH+](CC)CCC[NH2+]CC ZINC000031351905 170112577 /nfs/dbraw/zinc/11/25/77/170112577.db2.gz WGMLAJNLNAEBAH-UHFFFAOYSA-N 3 2 215.385 1.308 10 0 BDAELP CC[NH2+]Cc1cc(C[N@@H+]2CCCOCC2)on1 ZINC000061935797 170125305 /nfs/dbraw/zinc/12/53/05/170125305.db2.gz WRYRWNRYYWKKQS-UHFFFAOYSA-N 2 2 239.319 1.006 10 0 BDAELP CC[NH2+]Cc1cc(C[N@H+]2CCCOCC2)on1 ZINC000061935797 170125306 /nfs/dbraw/zinc/12/53/06/170125306.db2.gz WRYRWNRYYWKKQS-UHFFFAOYSA-N 2 2 239.319 1.006 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000060720692 170150846 /nfs/dbraw/zinc/15/08/46/170150846.db2.gz OYPXHFVSDOOYBK-QWHCGFSZSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[N@@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616686208 411872259 /nfs/dbraw/zinc/87/22/59/411872259.db2.gz GTCLBTICFRVRPV-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCO[C@H](c2ccc(N)[nH+]c2)CC1 ZINC000616686208 411872260 /nfs/dbraw/zinc/87/22/60/411872260.db2.gz GTCLBTICFRVRPV-LBPRGKRZSA-N 2 2 235.331 1.836 10 0 BDAELP Nc1cc([C@H]2CCCCC[N@@H+]2CC[NH3+])ccn1 ZINC000616624941 411977405 /nfs/dbraw/zinc/97/74/05/411977405.db2.gz SYSOMZQUZHFMJA-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1cc([C@H]2CCCCC[N@H+]2CC[NH3+])ccn1 ZINC000616624941 411977407 /nfs/dbraw/zinc/97/74/07/411977407.db2.gz SYSOMZQUZHFMJA-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2ccc(C[NH3+])o2)CCO1 ZINC000052477093 171089326 /nfs/dbraw/zinc/08/93/26/171089326.db2.gz KHYUSTSLKCDOCX-SNVBAGLBSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])o2)CCO1 ZINC000052477093 171089328 /nfs/dbraw/zinc/08/93/28/171089328.db2.gz KHYUSTSLKCDOCX-SNVBAGLBSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@H](C)C[C@](CC)(C[NH3+])[NH+]1CCOCC1 ZINC000019436361 171299122 /nfs/dbraw/zinc/29/91/22/171299122.db2.gz VAXREIKHUZZVCT-QWHCGFSZSA-N 2 2 228.380 1.862 10 0 BDAELP Cc1cc(NCC[C@@H]([NH3+])C(C)C)nc[nH+]1 ZINC000663275918 412405716 /nfs/dbraw/zinc/40/57/16/412405716.db2.gz GVQOBTNHWPBZSY-SNVBAGLBSA-N 2 2 208.309 1.570 10 0 BDAELP CCc1cccc(OC[C@](C)(C[NH3+])[NH+](C)C)c1 ZINC000019667457 171866408 /nfs/dbraw/zinc/86/64/08/171866408.db2.gz DULUODWNZYXFGM-AWEZNQCLSA-N 2 2 236.359 1.907 10 0 BDAELP CN(c1[nH]c2ccccc2[nH+]1)C1CC([NH3+])C1 ZINC000335659838 172953400 /nfs/dbraw/zinc/95/34/00/172953400.db2.gz KRRMVIQJCIXVDA-UHFFFAOYSA-N 2 2 216.288 1.489 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1(CO)CCCCC1 ZINC000054243963 173004047 /nfs/dbraw/zinc/00/40/47/173004047.db2.gz LMLTXICGTQYCDZ-CYBMUJFWSA-N 2 2 240.391 1.756 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C1(CO)CCCCC1 ZINC000054243963 173004048 /nfs/dbraw/zinc/00/40/48/173004048.db2.gz LMLTXICGTQYCDZ-CYBMUJFWSA-N 2 2 240.391 1.756 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000049856310 173005309 /nfs/dbraw/zinc/00/53/09/173005309.db2.gz PXJDLSCONJYKLF-CYBMUJFWSA-N 3 2 241.423 1.791 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000049856310 173005311 /nfs/dbraw/zinc/00/53/11/173005311.db2.gz PXJDLSCONJYKLF-CYBMUJFWSA-N 3 2 241.423 1.791 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc2ncoc2c1 ZINC000077366675 173352490 /nfs/dbraw/zinc/35/24/90/173352490.db2.gz BTOBVYCWMZQFHN-UHFFFAOYSA-N 2 2 233.315 1.522 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc2ncoc2c1 ZINC000077366675 173352492 /nfs/dbraw/zinc/35/24/92/173352492.db2.gz BTOBVYCWMZQFHN-UHFFFAOYSA-N 2 2 233.315 1.522 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc(C)c(C)c1 ZINC000077331442 173352672 /nfs/dbraw/zinc/35/26/72/173352672.db2.gz MUJVFEBTVJGEES-UHFFFAOYSA-N 2 2 220.360 1.997 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc(C)c(C)c1 ZINC000077331442 173352674 /nfs/dbraw/zinc/35/26/74/173352674.db2.gz MUJVFEBTVJGEES-UHFFFAOYSA-N 2 2 220.360 1.997 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)CCC2 ZINC000077364862 173353122 /nfs/dbraw/zinc/35/31/22/173353122.db2.gz YLNDGMXJHRXRIV-UHFFFAOYSA-N 2 2 232.371 1.869 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)CCC2 ZINC000077364862 173353123 /nfs/dbraw/zinc/35/31/23/173353123.db2.gz YLNDGMXJHRXRIV-UHFFFAOYSA-N 2 2 232.371 1.869 10 0 BDAELP C[NH2+]C[C@H](C(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481704 173373533 /nfs/dbraw/zinc/37/35/33/173373533.db2.gz NGUKVVXSUOFERJ-LLVKDONJSA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@H](C(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000052481704 173373535 /nfs/dbraw/zinc/37/35/35/173373535.db2.gz NGUKVVXSUOFERJ-LLVKDONJSA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000164784066 173378772 /nfs/dbraw/zinc/37/87/72/173378772.db2.gz YOCQJDXLPANCBZ-PWSUYJOCSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000164784066 173378774 /nfs/dbraw/zinc/37/87/74/173378774.db2.gz YOCQJDXLPANCBZ-PWSUYJOCSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1C[N@@H+](C2CCCCC2)CCO1 ZINC000071518564 173382528 /nfs/dbraw/zinc/38/25/28/173382528.db2.gz LKGIWHJNINUQKZ-LBPRGKRZSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@H]1C[N@H+](C2CCCCC2)CCO1 ZINC000071518564 173382529 /nfs/dbraw/zinc/38/25/29/173382529.db2.gz LKGIWHJNINUQKZ-LBPRGKRZSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]Cc1cccnc1-n1c[nH+]c(C)c1C ZINC000051928420 173390570 /nfs/dbraw/zinc/39/05/70/173390570.db2.gz RULYASURYWALJC-UHFFFAOYSA-N 2 2 216.288 1.604 10 0 BDAELP C[NH2+]Cc1nc(-n2cc[nH+]c2C)ccc1Cl ZINC000051490940 173394710 /nfs/dbraw/zinc/39/47/10/173394710.db2.gz FVHAMHODBBULJH-UHFFFAOYSA-N 2 2 236.706 1.949 10 0 BDAELP COCCC[NH2+]CC[N@H+](CCOC)CC(C)C ZINC000053392185 174247473 /nfs/dbraw/zinc/24/74/73/174247473.db2.gz NNTPDTSBMKDAFH-UHFFFAOYSA-N 2 2 246.395 1.217 10 0 BDAELP COCCC[NH2+]CC[N@@H+](CCOC)CC(C)C ZINC000053392185 174247476 /nfs/dbraw/zinc/24/74/76/174247476.db2.gz NNTPDTSBMKDAFH-UHFFFAOYSA-N 2 2 246.395 1.217 10 0 BDAELP COCC[N@H+](C[C@H]([NH3+])C(C)(C)C)[C@@H](C)COC ZINC000042607190 174297354 /nfs/dbraw/zinc/29/73/54/174297354.db2.gz WGIHYEGOABEWJQ-RYUDHWBXSA-N 2 2 246.395 1.343 10 0 BDAELP COCC[N@@H+](C[C@H]([NH3+])C(C)(C)C)[C@@H](C)COC ZINC000042607190 174297356 /nfs/dbraw/zinc/29/73/56/174297356.db2.gz WGIHYEGOABEWJQ-RYUDHWBXSA-N 2 2 246.395 1.343 10 0 BDAELP COc1cc([C@H]([NH3+])C[NH3+])c(Cl)cc1O ZINC000072200925 175017177 /nfs/dbraw/zinc/01/71/77/175017177.db2.gz HYXJBXHFZSRMFK-SSDOTTSWSA-N 2 2 216.668 1.013 10 0 BDAELP COc1ccc([C@@H]([NH3+])C[NH3+])cc1Cl ZINC000044471901 175179881 /nfs/dbraw/zinc/17/98/81/175179881.db2.gz BQIJRRZUKFQCAU-QMMMGPOBSA-N 2 2 200.669 1.307 10 0 BDAELP COc1ccc([C@H]([NH3+])C[NH3+])c2ccccc12 ZINC000044469130 175191756 /nfs/dbraw/zinc/19/17/56/175191756.db2.gz MMZIAMBOTSFTCK-GFCCVEGCSA-N 2 2 216.284 1.807 10 0 BDAELP COc1ccc([C@H]([NH3+])C[NH3+])c(Cl)c1 ZINC000072200573 175192188 /nfs/dbraw/zinc/19/21/88/175192188.db2.gz RJWVZCSZSHXQQG-SECBINFHSA-N 2 2 200.669 1.307 10 0 BDAELP C[C@@H]([NH3+])[C@H]([NH3+])c1ccc(Br)cc1 ZINC000047845228 175812737 /nfs/dbraw/zinc/81/27/37/175812737.db2.gz KPXSLYDRCRQFRW-MUWHJKNJSA-N 2 2 229.121 1.796 10 0 BDAELP C[C@@H](c1nccs1)[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068238 176039048 /nfs/dbraw/zinc/03/90/48/176039048.db2.gz QIPBCQADTVKWCS-VHSXEESVSA-N 2 2 225.361 1.745 10 0 BDAELP C[C@@H](c1nccs1)[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000095068238 176039050 /nfs/dbraw/zinc/03/90/50/176039050.db2.gz QIPBCQADTVKWCS-VHSXEESVSA-N 2 2 225.361 1.745 10 0 BDAELP C[C@@H]1CCC[N@H+](CCC(F)(F)F)[C@@H]1C[NH3+] ZINC000070914891 176097142 /nfs/dbraw/zinc/09/71/42/176097142.db2.gz HHIFTYZJTQGZSF-RKDXNWHRSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@@H]1CCC[N@@H+](CCC(F)(F)F)[C@@H]1C[NH3+] ZINC000070914891 176097143 /nfs/dbraw/zinc/09/71/43/176097143.db2.gz HHIFTYZJTQGZSF-RKDXNWHRSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075277 176102537 /nfs/dbraw/zinc/10/25/37/176102537.db2.gz NJDVSKALVMDACN-PWSUYJOCSA-N 2 2 222.336 1.152 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cnn(C)c2)C1 ZINC000020075277 176102539 /nfs/dbraw/zinc/10/25/39/176102539.db2.gz NJDVSKALVMDACN-PWSUYJOCSA-N 2 2 222.336 1.152 10 0 BDAELP C[C@@H]1CCC[N@@H+]1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037910689 176110341 /nfs/dbraw/zinc/11/03/41/176110341.db2.gz IRXWOVMFIYTFDI-QKCSRTOESA-N 2 2 232.327 1.932 10 0 BDAELP C[C@@H]1CCC[N@H+]1[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000037910689 176110343 /nfs/dbraw/zinc/11/03/43/176110343.db2.gz IRXWOVMFIYTFDI-QKCSRTOESA-N 2 2 232.327 1.932 10 0 BDAELP C[C@@H]1CCC[C@@](C[NH3+])([N@@H+]2CCO[C@H](C)C2)C1 ZINC000034754768 176133892 /nfs/dbraw/zinc/13/38/92/176133892.db2.gz PRZXOCHVTQQRAV-JHJVBQTASA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1CCC[C@@](C[NH3+])([N@H+]2CCO[C@H](C)C2)C1 ZINC000034754768 176133893 /nfs/dbraw/zinc/13/38/93/176133893.db2.gz PRZXOCHVTQQRAV-JHJVBQTASA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1CCC[C@](CO)([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054765355 176152214 /nfs/dbraw/zinc/15/22/14/176152214.db2.gz DRBFMKLTIBNZQG-PWSUYJOCSA-N 2 2 223.320 1.441 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCC2)CC(C)(C)O1 ZINC000045664741 176280960 /nfs/dbraw/zinc/28/09/60/176280960.db2.gz GZFSKVOQWGYZRX-LLVKDONJSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCC2)CC(C)(C)O1 ZINC000045664741 176280961 /nfs/dbraw/zinc/28/09/61/176280961.db2.gz GZFSKVOQWGYZRX-LLVKDONJSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[NH2+]C[C@@H](C)C[NH+](C2CC[NH+](C)CC2)C1 ZINC000049665948 176328802 /nfs/dbraw/zinc/32/88/02/176328802.db2.gz OBFAMWTUKLPPTM-CHWSQXEVSA-N 3 2 239.407 1.258 10 0 BDAELP C[C@@H]1COCC[N@@H+]1[C@H](C[NH3+])CC(C)(C)C ZINC000061839780 176337694 /nfs/dbraw/zinc/33/76/94/176337694.db2.gz XWAPSQJHVFYGGC-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP C[C@@H]1COCC[N@H+]1[C@H](C[NH3+])CC(C)(C)C ZINC000061839780 176337696 /nfs/dbraw/zinc/33/76/96/176337696.db2.gz XWAPSQJHVFYGGC-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP C[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000035774129 176337943 /nfs/dbraw/zinc/33/79/43/176337943.db2.gz PHFVGAIKUDIIKA-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@@H]1COCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000035774129 176337944 /nfs/dbraw/zinc/33/79/44/176337944.db2.gz PHFVGAIKUDIIKA-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H](c1cccnc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539557 177045561 /nfs/dbraw/zinc/04/55/61/177045561.db2.gz SHZOEVLQVCLPDW-DGCLKSJQSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H](c1cccnc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539557 177045564 /nfs/dbraw/zinc/04/55/64/177045564.db2.gz SHZOEVLQVCLPDW-DGCLKSJQSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H]1C[N@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000019479723 177240971 /nfs/dbraw/zinc/24/09/71/177240971.db2.gz BPXCYRYQXYDKBU-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H]1C[N@@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000019479723 177240969 /nfs/dbraw/zinc/24/09/69/177240969.db2.gz BPXCYRYQXYDKBU-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H]1C[NH+](Cc2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000052380413 177261630 /nfs/dbraw/zinc/26/16/30/177261630.db2.gz CDJFNFCGTQKLHG-UWVGGRQHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc[nH+]c(N)c1 ZINC000251766867 177279857 /nfs/dbraw/zinc/27/98/57/177279857.db2.gz MEKZHBMUAFOUMJ-AAEUAGOBSA-N 2 2 246.358 1.332 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc[nH+]c(N)c1 ZINC000251766867 177279858 /nfs/dbraw/zinc/27/98/58/177279858.db2.gz MEKZHBMUAFOUMJ-AAEUAGOBSA-N 2 2 246.358 1.332 10 0 BDAELP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361767 225097778 /nfs/dbraw/zinc/09/77/78/225097778.db2.gz QHEDAYRDLOOGHW-MCIONIFRSA-N 3 2 239.407 1.448 10 0 BDAELP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000503713340 226333363 /nfs/dbraw/zinc/33/33/63/226333363.db2.gz ZPFYSPGYMLEIPF-ZIAGYGMSSA-N 2 2 216.328 1.789 10 0 BDAELP Cc1cccc(C[N@H+]2C[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000503713340 226333364 /nfs/dbraw/zinc/33/33/64/226333364.db2.gz ZPFYSPGYMLEIPF-ZIAGYGMSSA-N 2 2 216.328 1.789 10 0 BDAELP CCC[N@H+](CC)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400400788 527979932 /nfs/dbraw/zinc/97/99/32/527979932.db2.gz PTSFGRLWNBWDJY-STQMWFEESA-N 3 2 227.396 1.306 10 0 BDAELP CCC[N@@H+](CC)CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400400788 527979938 /nfs/dbraw/zinc/97/99/38/527979938.db2.gz PTSFGRLWNBWDJY-STQMWFEESA-N 3 2 227.396 1.306 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000569684501 323036835 /nfs/dbraw/zinc/03/68/35/323036835.db2.gz GWMBBIBUZAYBJV-MCIONIFRSA-N 3 2 241.423 1.693 10 0 BDAELP CC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000563434133 323125334 /nfs/dbraw/zinc/12/53/34/323125334.db2.gz XSAXUGWLORMUBK-ZIAGYGMSSA-N 2 2 240.391 1.611 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142400 488079915 /nfs/dbraw/zinc/07/99/15/488079915.db2.gz HLXFLALDWIGOBT-JSGCOSHPSA-N 3 2 239.407 1.401 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142400 488079920 /nfs/dbraw/zinc/07/99/20/488079920.db2.gz HLXFLALDWIGOBT-JSGCOSHPSA-N 3 2 239.407 1.401 10 0 BDAELP C[C@@H](c1ccncc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235334334 487943856 /nfs/dbraw/zinc/94/38/56/487943856.db2.gz DQRVGVNJBYKRBC-SCVCMEIPSA-N 2 2 205.305 1.422 10 0 BDAELP C[C@@H](c1ccncc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235334334 487943858 /nfs/dbraw/zinc/94/38/58/487943858.db2.gz DQRVGVNJBYKRBC-SCVCMEIPSA-N 2 2 205.305 1.422 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389385519 488211681 /nfs/dbraw/zinc/21/16/81/488211681.db2.gz NKJVUIPSCYPIMT-JHJVBQTASA-N 2 2 226.364 1.364 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)C1 ZINC000389385519 488211686 /nfs/dbraw/zinc/21/16/86/488211686.db2.gz NKJVUIPSCYPIMT-JHJVBQTASA-N 2 2 226.364 1.364 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000307319029 490659071 /nfs/dbraw/zinc/65/90/71/490659071.db2.gz MYBYQALXHASISD-WCBMZHEXSA-N 2 2 200.351 1.032 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000307319029 490659076 /nfs/dbraw/zinc/65/90/76/490659076.db2.gz MYBYQALXHASISD-WCBMZHEXSA-N 2 2 200.351 1.032 10 0 BDAELP CCC(CC)C[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000310034847 491159762 /nfs/dbraw/zinc/15/97/62/491159762.db2.gz SQSKUHSHBQRREH-CYBMUJFWSA-N 2 2 228.380 1.469 10 0 BDAELP CCC(CC)C[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000310034847 491159763 /nfs/dbraw/zinc/15/97/63/491159763.db2.gz SQSKUHSHBQRREH-CYBMUJFWSA-N 2 2 228.380 1.469 10 0 BDAELP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@H]1C[NH3+] ZINC000757146379 582529534 /nfs/dbraw/zinc/52/95/34/582529534.db2.gz NIFITUALVBMXDL-DTWKUNHWSA-N 2 2 206.280 1.701 10 0 BDAELP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H]1C[NH3+] ZINC000757146379 582529536 /nfs/dbraw/zinc/52/95/36/582529536.db2.gz NIFITUALVBMXDL-DTWKUNHWSA-N 2 2 206.280 1.701 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@H](c2cccc(N)c2)[NH2+]1 ZINC000757218736 582563314 /nfs/dbraw/zinc/56/33/14/582563314.db2.gz WVDRUXLMMLWMQN-FXAINCCUSA-N 2 2 205.305 1.409 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH3+] ZINC000757230020 582563613 /nfs/dbraw/zinc/56/36/13/582563613.db2.gz FTXMMFJZSSNLLZ-ICCXJUOJSA-N 2 2 219.332 1.575 10 0 BDAELP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318152 533855024 /nfs/dbraw/zinc/85/50/24/533855024.db2.gz AULDSAYYCLLPOH-STQMWFEESA-N 3 2 239.407 1.448 10 0 BDAELP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000400318152 533855027 /nfs/dbraw/zinc/85/50/27/533855027.db2.gz AULDSAYYCLLPOH-STQMWFEESA-N 3 2 239.407 1.448 10 0 BDAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567069 535460750 /nfs/dbraw/zinc/46/07/50/535460750.db2.gz ZMRFKQWEODNRRR-MNOVXSKESA-N 2 2 242.363 1.387 10 0 BDAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567069 535460753 /nfs/dbraw/zinc/46/07/53/535460753.db2.gz ZMRFKQWEODNRRR-MNOVXSKESA-N 2 2 242.363 1.387 10 0 BDAELP CC[NH+]1CCN(c2cc(C)c(N)c[nH+]2)CC1 ZINC000036250830 535742748 /nfs/dbraw/zinc/74/27/48/535742748.db2.gz ZXDILZUCXINJTC-UHFFFAOYSA-N 2 2 220.320 1.114 10 0 BDAELP CCc1cc(N2CCC(C[NH3+])CC2)nc(CC)[nH+]1 ZINC000045954891 536145033 /nfs/dbraw/zinc/14/50/33/536145033.db2.gz OSNKZGXBZCVTLI-UHFFFAOYSA-N 2 2 248.374 1.777 10 0 BDAELP c1ccc(C[C@@H]2CCOC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC000757153938 582539368 /nfs/dbraw/zinc/53/93/68/582539368.db2.gz YOCTXEBARZTVEZ-AWEZNQCLSA-N 2 2 246.354 1.687 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cccc(N)c2)[C@@H]1[NH3+] ZINC000757218020 582562595 /nfs/dbraw/zinc/56/25/95/582562595.db2.gz USJVXNGEEJYDDB-GGZOMVNGSA-N 2 2 205.305 1.267 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]CCC[C@H]2[NH3+])c1 ZINC000757218574 582562803 /nfs/dbraw/zinc/56/28/03/582562803.db2.gz WPAROQATXDJGCK-OLZOCXBDSA-N 2 2 218.300 1.641 10 0 BDAELP CC(C)(C)[C@H]1CCO[C@]2(CCC[NH2+]C2)[NH2+]1 ZINC000757138953 586427917 /nfs/dbraw/zinc/42/79/17/586427917.db2.gz AEVAMCDCKKJHKY-PWSUYJOCSA-N 2 2 212.337 1.491 10 0 BDAELP C[C@@H]1C[NH2+][C@H](c2cccc(C[NH3+])c2)[C@H]([NH3+])C1 ZINC000757213604 586439938 /nfs/dbraw/zinc/43/99/38/586439938.db2.gz LCZIXMTWAXAYFZ-ZWKOPEQDSA-N 3 2 219.332 1.143 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2cccc(C[NH3+])c2)[NH2+]1 ZINC000757218241 586441813 /nfs/dbraw/zinc/44/18/13/586441813.db2.gz UQSHEGCIWVNPGJ-ICCXJUOJSA-N 3 2 219.332 1.286 10 0 BDAELP CC(=O)c1cccc([C@H]2CC[C@@H]([NH3+])C[NH2+]2)c1 ZINC000757217585 586441891 /nfs/dbraw/zinc/44/18/91/586441891.db2.gz SOSNSPIFZCNQKJ-CHWSQXEVSA-N 2 2 218.300 1.641 10 0 BDAELP [NH3+]Cc1cc([C@@H]2CC[C@@H]([NH3+])C[NH2+]2)ccc1C1CC1 ZINC000757238180 586443787 /nfs/dbraw/zinc/44/37/87/586443787.db2.gz RQFQDJHTIWGZGP-HIFRSBDPSA-N 3 2 245.370 1.775 10 0 BDAELP C[C@@H](O)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336777379 635288674 /nfs/dbraw/zinc/28/86/74/635288674.db2.gz IHAFRPZKABHZBR-DTWKUNHWSA-N 2 2 243.376 1.064 10 0 BDAELP C[C@H]1C[N@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000708852859 712201404 /nfs/dbraw/zinc/20/14/04/712201404.db2.gz CAIBKAPQHIYBOC-YUMQZZPRSA-N 2 2 223.147 1.832 10 0 BDAELP C[C@H]1C[N@@H+](CC=C(Cl)Cl)C[C@@H]1C[NH3+] ZINC000708852859 712201408 /nfs/dbraw/zinc/20/14/08/712201408.db2.gz CAIBKAPQHIYBOC-YUMQZZPRSA-N 2 2 223.147 1.832 10 0 BDAELP CC(F)(F)CCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000718657225 712776620 /nfs/dbraw/zinc/77/66/20/712776620.db2.gz NHLLWKWXLANNBO-VIFPVBQESA-N 2 2 206.280 1.845 10 0 BDAELP CC(F)(F)CCC[N@H+]1CCC[C@H]1C[NH3+] ZINC000718657225 712776621 /nfs/dbraw/zinc/77/66/21/712776621.db2.gz NHLLWKWXLANNBO-VIFPVBQESA-N 2 2 206.280 1.845 10 0 BDAELP C[C@@H]1C[N@H+](Cc2scnc2Cl)C[C@@H]1C[NH3+] ZINC000713501974 712463890 /nfs/dbraw/zinc/46/38/90/712463890.db2.gz SJHMWEBVRNTKEE-SFYZADRCSA-N 2 2 245.779 1.823 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2scnc2Cl)C[C@@H]1C[NH3+] ZINC000713501974 712463891 /nfs/dbraw/zinc/46/38/91/712463891.db2.gz SJHMWEBVRNTKEE-SFYZADRCSA-N 2 2 245.779 1.823 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CCC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000713592136 712466062 /nfs/dbraw/zinc/46/60/62/712466062.db2.gz MFEFJFAFMVDJRN-UTUOFQBUSA-N 2 2 226.364 1.471 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CCC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000713592136 712466063 /nfs/dbraw/zinc/46/60/63/712466063.db2.gz MFEFJFAFMVDJRN-UTUOFQBUSA-N 2 2 226.364 1.471 10 0 BDAELP C([NH2+][C@@H]1CC[NH2+]C1)[C@H]1CCC2(CCC2)CO1 ZINC000716592498 712564516 /nfs/dbraw/zinc/56/45/16/712564516.db2.gz FDXVQLVZPFQXMK-VXGBXAGGSA-N 2 2 224.348 1.287 10 0 BDAELP CC[C@@](C)(O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717429402 712657427 /nfs/dbraw/zinc/65/74/27/712657427.db2.gz IPNJDQWSKZBVQL-FRRDWIJNSA-N 2 2 226.364 1.316 10 0 BDAELP CC[C@@](C)(O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717429402 712657428 /nfs/dbraw/zinc/65/74/28/712657428.db2.gz IPNJDQWSKZBVQL-FRRDWIJNSA-N 2 2 226.364 1.316 10 0 BDAELP CC[C@@](C)(O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717429402 712657429 /nfs/dbraw/zinc/65/74/29/712657429.db2.gz IPNJDQWSKZBVQL-FRRDWIJNSA-N 2 2 226.364 1.316 10 0 BDAELP CC[C@@](C)(O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717429402 712657430 /nfs/dbraw/zinc/65/74/30/712657430.db2.gz IPNJDQWSKZBVQL-FRRDWIJNSA-N 2 2 226.364 1.316 10 0 BDAELP C[N@@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000685953521 538898118 /nfs/dbraw/zinc/89/81/18/538898118.db2.gz ICUFRPAERQQQGZ-SNVBAGLBSA-N 3 2 225.380 1.329 10 0 BDAELP C[N@H+]1CC[C@@H]([NH3+])C12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000685953521 538898119 /nfs/dbraw/zinc/89/81/19/538898119.db2.gz ICUFRPAERQQQGZ-SNVBAGLBSA-N 3 2 225.380 1.329 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000685953825 538898872 /nfs/dbraw/zinc/89/88/72/538898872.db2.gz IVBUWOUOKKRUHF-LBPRGKRZSA-N 3 2 223.364 1.036 10 0 BDAELP CC[N@H+]1CC[C@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000685953825 538898874 /nfs/dbraw/zinc/89/88/74/538898874.db2.gz IVBUWOUOKKRUHF-LBPRGKRZSA-N 3 2 223.364 1.036 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1CCn1c[nH+]c(N)c1 ZINC000685964207 538910988 /nfs/dbraw/zinc/91/09/88/538910988.db2.gz NOBICLVLYJDTEM-SNVBAGLBSA-N 2 2 208.309 1.340 10 0 BDAELP C[N@H+]1CCCC[C@@H]1CCn1c[nH+]c(N)c1 ZINC000685964207 538910990 /nfs/dbraw/zinc/91/09/90/538910990.db2.gz NOBICLVLYJDTEM-SNVBAGLBSA-N 2 2 208.309 1.340 10 0 BDAELP CCC(CC)(C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062249366 168323206 /nfs/dbraw/zinc/32/32/06/168323206.db2.gz SDENPQMYXZEONY-UHFFFAOYSA-N 2 2 222.336 1.216 10 0 BDAELP C[NH2+][C@@H]([NH3+])CCCC(=O)OC(C)(C)C ZINC000071186624 398144859 /nfs/dbraw/zinc/14/48/59/398144859.db2.gz YIZDRRZCFNNKLB-MRVPVSSYSA-N 2 2 202.298 1.003 10 0 BDAELP Cc1cc(Cl)ccc1OCC[N@H+](C)CC[NH3+] ZINC000077391592 178068547 /nfs/dbraw/zinc/06/85/47/178068547.db2.gz JNDBOAYOEPUOST-UHFFFAOYSA-N 2 2 242.750 1.918 10 0 BDAELP Cc1cc(Cl)ccc1OCC[N@@H+](C)CC[NH3+] ZINC000077391592 178068549 /nfs/dbraw/zinc/06/85/49/178068549.db2.gz JNDBOAYOEPUOST-UHFFFAOYSA-N 2 2 242.750 1.918 10 0 BDAELP Cc1cc(N2CCC[C@@H]2C[NH2+]C2CC2)nc[nH+]1 ZINC000053695167 178114962 /nfs/dbraw/zinc/11/49/62/178114962.db2.gz AKGLRESEMUZAHX-GFCCVEGCSA-N 2 2 232.331 1.506 10 0 BDAELP Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc[nH+]1 ZINC000119787604 178137848 /nfs/dbraw/zinc/13/78/48/178137848.db2.gz PEAFGQASNCHIRY-GFCCVEGCSA-N 2 2 248.330 1.558 10 0 BDAELP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1(C)C ZINC000386655741 398215348 /nfs/dbraw/zinc/21/53/48/398215348.db2.gz RKFMOGKHBVYLOI-SDDRHHMPSA-N 2 2 226.364 1.484 10 0 BDAELP CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1(C)C ZINC000386655741 398215351 /nfs/dbraw/zinc/21/53/51/398215351.db2.gz RKFMOGKHBVYLOI-SDDRHHMPSA-N 2 2 226.364 1.484 10 0 BDAELP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@H+](CC)C1)OC ZINC000381294745 398250417 /nfs/dbraw/zinc/25/04/17/398250417.db2.gz OVQYQPARFKFLIS-AVGNSLFASA-N 2 2 228.380 1.731 10 0 BDAELP CC[C@H](C)[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C1)OC ZINC000381294745 398250421 /nfs/dbraw/zinc/25/04/21/398250421.db2.gz OVQYQPARFKFLIS-AVGNSLFASA-N 2 2 228.380 1.731 10 0 BDAELP CCOCC(C)(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386287014 398264750 /nfs/dbraw/zinc/26/47/50/398264750.db2.gz GUUGMEDXZQEMIE-NSHDSACASA-N 2 2 214.353 1.485 10 0 BDAELP CCOCC(C)(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386287014 398264753 /nfs/dbraw/zinc/26/47/53/398264753.db2.gz GUUGMEDXZQEMIE-NSHDSACASA-N 2 2 214.353 1.485 10 0 BDAELP c1ccc2c(c1)SC[C@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335517777 398290170 /nfs/dbraw/zinc/29/01/70/398290170.db2.gz YTTFTTXQRCKFQS-MNOVXSKESA-N 2 2 234.368 1.827 10 0 BDAELP CC1(C)C[C@H]1[NH2+]C[C@H]1CSCC[NH2+]1 ZINC000127122341 342923510 /nfs/dbraw/zinc/92/35/10/342923510.db2.gz BULDMLOHOCPPGD-DTWKUNHWSA-N 2 2 200.351 1.080 10 0 BDAELP CCc1cnc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000400513639 529653267 /nfs/dbraw/zinc/65/32/67/529653267.db2.gz GBCGTUMWZPFNTD-VHSXEESVSA-N 2 2 239.388 1.793 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000384136891 343053269 /nfs/dbraw/zinc/05/32/69/343053269.db2.gz LSDAVBXJRZTJPQ-WDEREUQCSA-N 2 2 233.315 1.278 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000383429297 362023792 /nfs/dbraw/zinc/02/37/92/362023792.db2.gz BRJHQRKTBHYNBD-AXFHLTTASA-N 2 2 233.315 1.264 10 0 BDAELP CC[C@@H](COC)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000070624207 343335906 /nfs/dbraw/zinc/33/59/06/343335906.db2.gz MGUQWTFCXPKLAE-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CC[C@@H](COC)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000070624207 343335908 /nfs/dbraw/zinc/33/59/08/343335908.db2.gz MGUQWTFCXPKLAE-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000070624208 343335999 /nfs/dbraw/zinc/33/59/99/343335999.db2.gz MGUQWTFCXPKLAE-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000070624208 343336000 /nfs/dbraw/zinc/33/60/00/343336000.db2.gz MGUQWTFCXPKLAE-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP COc1ccc([C@@H]([NH3+])Cn2cc[nH+]c2)cc1 ZINC000038860475 343380748 /nfs/dbraw/zinc/38/07/48/343380748.db2.gz MRLHUMCSLSVAKU-LBPRGKRZSA-N 2 2 217.272 1.592 10 0 BDAELP C[N@@H+]1CCSC[C@@H]1[C@@H]([NH3+])C(C)(C)C ZINC000234313584 343406297 /nfs/dbraw/zinc/40/62/97/343406297.db2.gz LQQWGSUQSARKGW-RKDXNWHRSA-N 2 2 202.367 1.407 10 0 BDAELP C[N@H+]1CCSC[C@@H]1[C@@H]([NH3+])C(C)(C)C ZINC000234313584 343406298 /nfs/dbraw/zinc/40/62/98/343406298.db2.gz LQQWGSUQSARKGW-RKDXNWHRSA-N 2 2 202.367 1.407 10 0 BDAELP Cc1cc(Cn2cc(C(C)(C)[NH3+])nn2)cc[nH+]1 ZINC000641087986 362210537 /nfs/dbraw/zinc/21/05/37/362210537.db2.gz CFMIZTQYYFYRCU-UHFFFAOYSA-N 2 2 231.303 1.224 10 0 BDAELP C[C@H]([NH3+])[C@H]([NH3+])c1ccc(Br)cc1 ZINC000047845227 343566773 /nfs/dbraw/zinc/56/67/73/343566773.db2.gz KPXSLYDRCRQFRW-RCOVLWMOSA-N 2 2 229.121 1.796 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](CCC)CC2 ZINC000712058219 537784182 /nfs/dbraw/zinc/78/41/82/537784182.db2.gz MOJMTNWJAADHAV-CYBMUJFWSA-N 3 2 239.407 1.674 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH3+])C12CC[NH+](CCC)CC2 ZINC000712058219 537784190 /nfs/dbraw/zinc/78/41/90/537784190.db2.gz MOJMTNWJAADHAV-CYBMUJFWSA-N 3 2 239.407 1.674 10 0 BDAELP CC[C@@H](C)c1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000409427714 343801505 /nfs/dbraw/zinc/80/15/05/343801505.db2.gz BVKSVVAITCYKHT-SNVBAGLBSA-N 2 2 234.347 1.708 10 0 BDAELP COC[C@@H]1C[N@H+](CC(=[NH2+])NO)CC12CCCC2 ZINC000409433674 343829857 /nfs/dbraw/zinc/82/98/57/343829857.db2.gz NDWOQBGGXLJXLT-JTQLQIEISA-N 2 2 241.335 1.081 10 0 BDAELP COC[C@@H]1C[N@@H+](CC(=[NH2+])NO)CC12CCCC2 ZINC000409433674 343829858 /nfs/dbraw/zinc/82/98/58/343829858.db2.gz NDWOQBGGXLJXLT-JTQLQIEISA-N 2 2 241.335 1.081 10 0 BDAELP CCc1nc(NC2CC[NH2+]CC2)c(C)c(C)[nH+]1 ZINC000045950908 192075431 /nfs/dbraw/zinc/07/54/31/192075431.db2.gz GZCVORXYDFCNQF-UHFFFAOYSA-N 2 2 234.347 1.820 10 0 BDAELP Cc1cc([C@H]([NH3+])C[NH3+])sc1Br ZINC000044476977 345090933 /nfs/dbraw/zinc/09/09/33/345090933.db2.gz UHBZWSOKDDXDHO-RXMQYKEDSA-N 2 2 235.150 1.778 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2csc(Cl)c2)C[NH2+]C1 ZINC000675077801 537894584 /nfs/dbraw/zinc/89/45/84/537894584.db2.gz IWVHZXYLTXOUAJ-SECBINFHSA-N 2 2 228.748 1.801 10 0 BDAELP [NH3+]CCc1cn(COCc2ccccc2)c[nH+]1 ZINC000236258194 346216592 /nfs/dbraw/zinc/21/65/92/346216592.db2.gz JJUSSGUHZULRMJ-UHFFFAOYSA-N 2 2 231.299 1.559 10 0 BDAELP CCC[NH+](CCC)C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378722 537971552 /nfs/dbraw/zinc/97/15/52/537971552.db2.gz JTJZMFOBHJIMGP-STQMWFEESA-N 3 2 227.396 1.293 10 0 BDAELP Cc1cccc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000036946830 179185925 /nfs/dbraw/zinc/18/59/25/179185925.db2.gz VBDYWRCQTQAQKN-NSHDSACASA-N 2 2 201.273 1.961 10 0 BDAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@H+](CCO)C2CC2)c1 ZINC000042967507 179189037 /nfs/dbraw/zinc/18/90/37/179189037.db2.gz KMMNIXKRVIBONT-IUODEOHRSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@@H]([C@@H](C)[NH3+])[N@@H+](CCO)C2CC2)c1 ZINC000042967507 179189039 /nfs/dbraw/zinc/18/90/39/179189039.db2.gz KMMNIXKRVIBONT-IUODEOHRSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cnccc1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396601309 362825004 /nfs/dbraw/zinc/82/50/04/362825004.db2.gz XKDPUVYVURKYHG-DGCLKSJQSA-N 2 2 219.332 1.620 10 0 BDAELP Cc1ccccc1C[C@@H]([NH3+])Cc1[nH]cc[nH+]1 ZINC000036946766 179290088 /nfs/dbraw/zinc/29/00/88/179290088.db2.gz HBSMMIPKRKWVLS-GFCCVEGCSA-N 2 2 215.300 1.831 10 0 BDAELP Cc1ccccc1NC(=O)C[N@@H+](C)[C@H](C)CC[NH3+] ZINC000063086740 179299643 /nfs/dbraw/zinc/29/96/43/179299643.db2.gz IZQGLRWPFKEELO-GFCCVEGCSA-N 2 2 249.358 1.603 10 0 BDAELP Cc1ccccc1NC(=O)C[N@H+](C)[C@H](C)CC[NH3+] ZINC000063086740 179299645 /nfs/dbraw/zinc/29/96/45/179299645.db2.gz IZQGLRWPFKEELO-GFCCVEGCSA-N 2 2 249.358 1.603 10 0 BDAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[NH+]1CCC(O)CC1 ZINC000043033635 179347300 /nfs/dbraw/zinc/34/73/00/179347300.db2.gz XXEGIDCOVRQDOD-DOMZBBRYSA-N 2 2 248.370 1.840 10 0 BDAELP C[NH2+][C@H](C)C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000054074202 348889699 /nfs/dbraw/zinc/88/96/99/348889699.db2.gz QNSXZLABBSGCNK-SSDOTTSWSA-N 2 2 232.287 1.418 10 0 BDAELP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[NH2+]C1CC1 ZINC000036950733 180103105 /nfs/dbraw/zinc/10/31/05/180103105.db2.gz UFUDEJCDWDPEPZ-LBPRGKRZSA-N 2 2 245.326 1.458 10 0 BDAELP Cc1nccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000038037594 180191125 /nfs/dbraw/zinc/19/11/25/180191125.db2.gz USYMWIPUKKRWSB-AAEUAGOBSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C)C2)n1 ZINC000038037594 180191127 /nfs/dbraw/zinc/19/11/27/180191127.db2.gz USYMWIPUKKRWSB-AAEUAGOBSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c[nH]cn1 ZINC000180126157 180266300 /nfs/dbraw/zinc/26/63/00/180266300.db2.gz QIBNEHAHHQXFIX-ZDUSSCGKSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c[nH]cn1 ZINC000180126157 180266301 /nfs/dbraw/zinc/26/63/01/180266301.db2.gz QIBNEHAHHQXFIX-ZDUSSCGKSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc[nH]1 ZINC000180126157 180266302 /nfs/dbraw/zinc/26/63/02/180266302.db2.gz QIBNEHAHHQXFIX-ZDUSSCGKSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc[nH]1 ZINC000180126157 180266303 /nfs/dbraw/zinc/26/63/03/180266303.db2.gz QIBNEHAHHQXFIX-ZDUSSCGKSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]cn(Cc2ccc[nH+]c2N)c1C ZINC000052733966 180289341 /nfs/dbraw/zinc/28/93/41/180289341.db2.gz DCFOEGFFFDNGDK-UHFFFAOYSA-N 2 2 202.261 1.525 10 0 BDAELP COc1ccc(C[C@H](C[NH3+])[NH+](C)C)cc1 ZINC000041217894 350580585 /nfs/dbraw/zinc/58/05/85/350580585.db2.gz AYQNGQVAYQKNAZ-LLVKDONJSA-N 2 2 208.305 1.127 10 0 BDAELP CNc1ccc([C@@H]2CC[N@H+](CC[NH3+])CCO2)cc1 ZINC000616594324 350593991 /nfs/dbraw/zinc/59/39/91/350593991.db2.gz PAIAFQBLKNYFBP-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@@H]2CC[N@@H+](CC[NH3+])CCO2)cc1 ZINC000616594324 350593993 /nfs/dbraw/zinc/59/39/93/350593993.db2.gz PAIAFQBLKNYFBP-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cncnc2)C1 ZINC000616603795 350790166 /nfs/dbraw/zinc/79/01/66/350790166.db2.gz IHJGAMIFGMFWHG-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cncnc2)C1 ZINC000616603795 350790167 /nfs/dbraw/zinc/79/01/67/350790167.db2.gz IHJGAMIFGMFWHG-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP Nc1ccc([C@@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616614192 350831031 /nfs/dbraw/zinc/83/10/31/350831031.db2.gz GWMKEFOSNISHPA-LLVKDONJSA-N 2 2 205.305 1.017 10 0 BDAELP Nc1ccc([C@@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616614192 350831034 /nfs/dbraw/zinc/83/10/34/350831034.db2.gz GWMKEFOSNISHPA-LLVKDONJSA-N 2 2 205.305 1.017 10 0 BDAELP C[C@H]1SCC[C@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677735 350832561 /nfs/dbraw/zinc/83/25/61/350832561.db2.gz ZSHBBNBXCIYZQY-GMTAPVOTSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@H]1SCC[C@H]1[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677735 350832562 /nfs/dbraw/zinc/83/25/62/350832562.db2.gz ZSHBBNBXCIYZQY-GMTAPVOTSA-N 2 2 214.378 1.564 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000616620435 350939547 /nfs/dbraw/zinc/93/95/47/350939547.db2.gz JYVZTKWMEBJKIA-GFCCVEGCSA-N 2 2 205.305 1.220 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000616620435 350939549 /nfs/dbraw/zinc/93/95/49/350939549.db2.gz JYVZTKWMEBJKIA-GFCCVEGCSA-N 2 2 205.305 1.220 10 0 BDAELP Cc1sccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000306784421 351035365 /nfs/dbraw/zinc/03/53/65/351035365.db2.gz MBOATNWKHRXUMS-GZMMTYOYSA-N 2 2 210.346 1.978 10 0 BDAELP Cc1sccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000306784421 351035367 /nfs/dbraw/zinc/03/53/67/351035367.db2.gz MBOATNWKHRXUMS-GZMMTYOYSA-N 2 2 210.346 1.978 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccc(F)c2)C1 ZINC000616621545 351043395 /nfs/dbraw/zinc/04/33/95/351043395.db2.gz RZLHBNUZRMJOOB-LBPRGKRZSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccc(F)c2)C1 ZINC000616621545 351043396 /nfs/dbraw/zinc/04/33/96/351043396.db2.gz RZLHBNUZRMJOOB-LBPRGKRZSA-N 2 2 222.307 1.964 10 0 BDAELP CC(=O)Nc1ccccc1[C@H]1CC[N@H+](CC[NH3+])C1 ZINC000616630700 351103710 /nfs/dbraw/zinc/10/37/10/351103710.db2.gz AEJCSMMDINUXCG-LBPRGKRZSA-N 2 2 247.342 1.393 10 0 BDAELP CC(=O)Nc1ccccc1[C@H]1CC[N@@H+](CC[NH3+])C1 ZINC000616630700 351103715 /nfs/dbraw/zinc/10/37/15/351103715.db2.gz AEJCSMMDINUXCG-LBPRGKRZSA-N 2 2 247.342 1.393 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccncn2)CC1 ZINC000616626985 351107308 /nfs/dbraw/zinc/10/73/08/351107308.db2.gz AMFYACKNPRAJCN-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccncn2)CC1 ZINC000616626985 351107311 /nfs/dbraw/zinc/10/73/11/351107311.db2.gz AMFYACKNPRAJCN-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP CC(C)(C)[N@@H+]1CCCO[C@H](n2cc[nH+]c2)C1 ZINC000616650064 351173514 /nfs/dbraw/zinc/17/35/14/351173514.db2.gz RWLRHDMOYSZSMV-NSHDSACASA-N 2 2 223.320 1.903 10 0 BDAELP CC(C)(C)[N@H+]1CCCO[C@H](n2cc[nH+]c2)C1 ZINC000616650064 351173517 /nfs/dbraw/zinc/17/35/17/351173517.db2.gz RWLRHDMOYSZSMV-NSHDSACASA-N 2 2 223.320 1.903 10 0 BDAELP [NH3+][C@@H]1CC[C@H]([N@@H+]2CCC=C(Br)C2)C1 ZINC000404407179 351426953 /nfs/dbraw/zinc/42/69/53/351426953.db2.gz XQWOBPKTXZIMKY-ZJUUUORDSA-N 2 2 245.164 1.851 10 0 BDAELP [NH3+][C@@H]1CC[C@H]([N@H+]2CCC=C(Br)C2)C1 ZINC000404407179 351426958 /nfs/dbraw/zinc/42/69/58/351426958.db2.gz XQWOBPKTXZIMKY-ZJUUUORDSA-N 2 2 245.164 1.851 10 0 BDAELP CC1(C)SC[C@@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000307071784 351465723 /nfs/dbraw/zinc/46/57/23/351465723.db2.gz XOVUJUOCAYJOHL-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP CC1(C)SC[C@@H]1[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000307071784 351465725 /nfs/dbraw/zinc/46/57/25/351465725.db2.gz XOVUJUOCAYJOHL-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1CS[C@](C)([C@H]2CCCC[NH2+]2)[NH2+]1 ZINC000307373537 352471880 /nfs/dbraw/zinc/47/18/80/352471880.db2.gz SGWZBFOOQXUAPO-OPRDCNLKSA-N 2 2 200.351 1.570 10 0 BDAELP CC[C@@H]1CC[NH2+][C@H]([C@@](C)(F)[C@@H](C)[NH3+])C1 ZINC000307738219 353122577 /nfs/dbraw/zinc/12/25/77/353122577.db2.gz WHOXIXUPOIFJBN-ZNSHCXBVSA-N 2 2 202.317 1.840 10 0 BDAELP CCCc1[nH+]ccn1-c1cc[nH+]cc1N ZINC000069950293 188284530 /nfs/dbraw/zinc/28/45/30/188284530.db2.gz SMOZBKXEDGRIIR-UHFFFAOYSA-N 2 2 202.261 1.802 10 0 BDAELP C[NH+](C)c1ccc(N2CC[C@H](C[NH3+])C2)cc1 ZINC000036335641 188286462 /nfs/dbraw/zinc/28/64/62/188286462.db2.gz FSFBCMBUENKWLH-LLVKDONJSA-N 2 2 219.332 1.538 10 0 BDAELP C([C@H]1CCCC[NH2+]1)[N@@H+]1CCCSCC1 ZINC000042444864 188293387 /nfs/dbraw/zinc/29/33/87/188293387.db2.gz FRKLEHBLMNAPIB-LLVKDONJSA-N 2 2 214.378 1.567 10 0 BDAELP C([C@H]1CCCC[NH2+]1)[N@H+]1CCCSCC1 ZINC000042444864 188293388 /nfs/dbraw/zinc/29/33/88/188293388.db2.gz FRKLEHBLMNAPIB-LLVKDONJSA-N 2 2 214.378 1.567 10 0 BDAELP CC(C)[C@@H]1C[N@H+](CCC[NH+](C)C)CCC[NH2+]1 ZINC000062613497 188303113 /nfs/dbraw/zinc/30/31/13/188303113.db2.gz GVOAMSZTGRWNNT-ZDUSSCGKSA-N 3 2 227.396 1.258 10 0 BDAELP CC(C)[C@@H]1C[N@@H+](CCC[NH+](C)C)CCC[NH2+]1 ZINC000062613497 188303114 /nfs/dbraw/zinc/30/31/14/188303114.db2.gz GVOAMSZTGRWNNT-ZDUSSCGKSA-N 3 2 227.396 1.258 10 0 BDAELP CC(C)N(C)C(=O)C[N@@H+]1[C@H](C)CCC[C@H]1C[NH3+] ZINC000104157027 188323457 /nfs/dbraw/zinc/32/34/57/188323457.db2.gz YTMNOYPAWRCGCC-NEPJUHHUSA-N 2 2 241.379 1.055 10 0 BDAELP CC(C)N(C)C(=O)C[N@H+]1[C@H](C)CCC[C@H]1C[NH3+] ZINC000104157027 188323459 /nfs/dbraw/zinc/32/34/59/188323459.db2.gz YTMNOYPAWRCGCC-NEPJUHHUSA-N 2 2 241.379 1.055 10 0 BDAELP CC1CC(C[NH3+])([NH+]2CCSCC2)C1 ZINC000232805417 353516780 /nfs/dbraw/zinc/51/67/80/353516780.db2.gz RINNKRRHAAOYAT-UHFFFAOYSA-N 2 2 200.351 1.163 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000252446954 363254745 /nfs/dbraw/zinc/25/47/45/363254745.db2.gz DHVNHEYXIXLLNA-GMTAPVOTSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000252446954 363254747 /nfs/dbraw/zinc/25/47/47/363254747.db2.gz DHVNHEYXIXLLNA-GMTAPVOTSA-N 2 2 200.326 1.079 10 0 BDAELP C[C@H](C[NH3+])N(C)c1[nH]c2ccccc2[nH+]1 ZINC000074204754 354183958 /nfs/dbraw/zinc/18/39/58/354183958.db2.gz YKNVRMHNVXOCNT-MRVPVSSYSA-N 2 2 204.277 1.346 10 0 BDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000399161187 355777023 /nfs/dbraw/zinc/77/70/23/355777023.db2.gz CONWSCJHGBPTCU-ZDUSSCGKSA-N 2 2 248.370 1.794 10 0 BDAELP CC[N@@H+]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000389349425 355979805 /nfs/dbraw/zinc/97/98/05/355979805.db2.gz VAHYTUILYGDKRQ-SNVBAGLBSA-N 2 2 206.293 1.291 10 0 BDAELP CC[N@H+]1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000389349425 355979809 /nfs/dbraw/zinc/97/98/09/355979809.db2.gz VAHYTUILYGDKRQ-SNVBAGLBSA-N 2 2 206.293 1.291 10 0 BDAELP Cc1ccccc1C[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000384293519 356558998 /nfs/dbraw/zinc/55/89/98/356558998.db2.gz DWBOLCCXDXNXQQ-HNNXBMFYSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000384293519 356559003 /nfs/dbraw/zinc/55/90/03/356559003.db2.gz DWBOLCCXDXNXQQ-HNNXBMFYSA-N 2 2 248.370 1.541 10 0 BDAELP Cc1ccc(F)cc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077810 538514259 /nfs/dbraw/zinc/51/42/59/538514259.db2.gz IYQRESUUJNJHTG-LLVKDONJSA-N 2 2 206.264 1.448 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ccccc2F)C[NH2+]C1 ZINC000675077271 538512833 /nfs/dbraw/zinc/51/28/33/538512833.db2.gz BSPSKINRGDAPOA-NSHDSACASA-N 2 2 206.264 1.225 10 0 BDAELP CC[N@@H+]1CCO[C@@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000226096555 356736247 /nfs/dbraw/zinc/73/62/47/356736247.db2.gz DEJFEZHQKTWWFF-NXEZZACHSA-N 2 2 200.326 1.081 10 0 BDAELP CC[N@H+]1CCO[C@@H]([C@@H]([NH3+])C(C)(C)C)C1 ZINC000226096555 356736250 /nfs/dbraw/zinc/73/62/50/356736250.db2.gz DEJFEZHQKTWWFF-NXEZZACHSA-N 2 2 200.326 1.081 10 0 BDAELP Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)nc[nH+]1 ZINC000389716789 357018782 /nfs/dbraw/zinc/01/87/82/357018782.db2.gz AMDWENGWMDALJE-WCBMZHEXSA-N 2 2 206.293 1.195 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000193463887 357118255 /nfs/dbraw/zinc/11/82/55/357118255.db2.gz KDMIPZFMDVLLRD-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000193463887 357118257 /nfs/dbraw/zinc/11/82/57/357118257.db2.gz KDMIPZFMDVLLRD-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP CC1CC[NH+]([C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC000685948238 538890308 /nfs/dbraw/zinc/89/03/08/538890308.db2.gz CPSHMAPKZNDMOQ-MNOVXSKESA-N 2 2 200.301 1.418 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CCS[C@H]2C)C1 ZINC000300353962 358971680 /nfs/dbraw/zinc/97/16/80/358971680.db2.gz ZYTKBFURDCHCKB-AEJSXWLSSA-N 2 2 200.351 1.174 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CCS[C@H]2C)C1 ZINC000300353962 358971681 /nfs/dbraw/zinc/97/16/81/358971681.db2.gz ZYTKBFURDCHCKB-AEJSXWLSSA-N 2 2 200.351 1.174 10 0 BDAELP [NH3+]Cc1sccc1C[NH+]1CCOCC1 ZINC000306251402 359457913 /nfs/dbraw/zinc/45/79/13/359457913.db2.gz ZVAVOEJFLWAUDO-UHFFFAOYSA-N 2 2 212.318 1.039 10 0 BDAELP CC[C@H]1C[NH2+]C[C@@H]1[NH+]1CCSCC1 ZINC000160963720 359592983 /nfs/dbraw/zinc/59/29/83/359592983.db2.gz AYCGXSBAZMWJPR-UWVGGRQHSA-N 2 2 200.351 1.033 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CSC[C@H]2C)C1 ZINC000306410281 359795784 /nfs/dbraw/zinc/79/57/84/359795784.db2.gz RAWFRSFTMPVAPY-BBBLOLIVSA-N 2 2 200.351 1.032 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CSC[C@H]2C)C1 ZINC000306410281 359795788 /nfs/dbraw/zinc/79/57/88/359795788.db2.gz RAWFRSFTMPVAPY-BBBLOLIVSA-N 2 2 200.351 1.032 10 0 BDAELP CC1(C)CC[C@H]1[NH2+]C[C@H]1CSCC[NH2+]1 ZINC000306523936 360361423 /nfs/dbraw/zinc/36/14/23/360361423.db2.gz WCQKAFYYIOSZQX-VHSXEESVSA-N 2 2 214.378 1.470 10 0 BDAELP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC000306523934 360361880 /nfs/dbraw/zinc/36/18/80/360361880.db2.gz WCQKAFYYIOSZQX-NXEZZACHSA-N 2 2 214.378 1.470 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@]1(C[NH3+])CCSC1 ZINC000069760847 360408377 /nfs/dbraw/zinc/40/83/77/360408377.db2.gz LIROYOBWLHVZQW-UWVGGRQHSA-N 2 2 232.418 1.258 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@]1(C[NH3+])CCSC1 ZINC000069760847 360408378 /nfs/dbraw/zinc/40/83/78/360408378.db2.gz LIROYOBWLHVZQW-UWVGGRQHSA-N 2 2 232.418 1.258 10 0 BDAELP CSC1CC[NH+]([C@@H](C)C(N)=[NH2+])CC1 ZINC000300783353 360502824 /nfs/dbraw/zinc/50/28/24/360502824.db2.gz BTCQPMJZAILVJG-ZETCQYMHSA-N 2 2 201.339 1.138 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000309489123 491149688 /nfs/dbraw/zinc/14/96/88/491149688.db2.gz WMEPTESSYSLOHQ-KOLCDFICSA-N 2 2 220.320 1.537 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC000309489123 491149689 /nfs/dbraw/zinc/14/96/89/491149689.db2.gz WMEPTESSYSLOHQ-KOLCDFICSA-N 2 2 220.320 1.537 10 0 BDAELP C[NH+](C)CCn1c2ccccc2[nH+]c1NCCO ZINC000006871440 361060694 /nfs/dbraw/zinc/06/06/94/361060694.db2.gz DJZTZZJUUKXELU-UHFFFAOYSA-N 2 2 248.330 1.002 10 0 BDAELP CCN(CC[NH3+])Cc1[nH+]ccn1C(C)C ZINC000629558291 361452958 /nfs/dbraw/zinc/45/29/58/361452958.db2.gz WCGWFQLCPURWIJ-UHFFFAOYSA-N 2 2 210.325 1.245 10 0 BDAELP [NH3+]CC[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000071524527 181392056 /nfs/dbraw/zinc/39/20/56/181392056.db2.gz ZREAUTDYWPHISR-UHFFFAOYSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CCCc1[nH]cc(-c2cccnc2)[nH+]1 ZINC000036876210 181387330 /nfs/dbraw/zinc/38/73/30/181387330.db2.gz BISYYNQBYDOOOJ-UHFFFAOYSA-N 2 2 202.261 1.363 10 0 BDAELP NCC[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000042428376 181390765 /nfs/dbraw/zinc/39/07/65/181390765.db2.gz DWZWMUOUBYQTCW-UHFFFAOYSA-N 2 2 236.363 1.477 10 0 BDAELP NCC[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000042428376 181390766 /nfs/dbraw/zinc/39/07/66/181390766.db2.gz DWZWMUOUBYQTCW-UHFFFAOYSA-N 2 2 236.363 1.477 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](C[C@H]2CSCCS2)C1 ZINC000253011781 368276888 /nfs/dbraw/zinc/27/68/88/368276888.db2.gz CSSNGGKVLJUWDT-ZJUUUORDSA-N 2 2 232.418 1.258 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](C[C@H]2CSCCS2)C1 ZINC000253011781 368276895 /nfs/dbraw/zinc/27/68/95/368276895.db2.gz CSSNGGKVLJUWDT-ZJUUUORDSA-N 2 2 232.418 1.258 10 0 BDAELP C[C@@H]1CC[NH2+][C@@]2(CC[NH2+]C[C@H]2C)S1 ZINC000253286726 368913851 /nfs/dbraw/zinc/91/38/51/368913851.db2.gz OVFUFGNETQTYSZ-BBBLOLIVSA-N 2 2 200.351 1.427 10 0 BDAELP CC(C)n1ccnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838785 369121692 /nfs/dbraw/zinc/12/16/92/369121692.db2.gz VAUWYSWWOGAPOS-VXGBXAGGSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838785 369121696 /nfs/dbraw/zinc/12/16/96/369121696.db2.gz VAUWYSWWOGAPOS-VXGBXAGGSA-N 2 2 236.363 1.491 10 0 BDAELP OCC[N@@H+]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000108110210 369376865 /nfs/dbraw/zinc/37/68/65/369376865.db2.gz NBKKZYXMHPUORR-AWEZNQCLSA-N 2 2 240.391 1.613 10 0 BDAELP OCC[N@H+]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000108110210 369376868 /nfs/dbraw/zinc/37/68/68/369376868.db2.gz NBKKZYXMHPUORR-AWEZNQCLSA-N 2 2 240.391 1.613 10 0 BDAELP Cc1c[nH+]c(N)c(C(=O)CC(C)(C)[NH3+])c1 ZINC000226504277 371684887 /nfs/dbraw/zinc/68/48/87/371684887.db2.gz OJMBQBBREQGLKY-UHFFFAOYSA-N 2 2 207.277 1.282 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132441225 371822672 /nfs/dbraw/zinc/82/26/72/371822672.db2.gz RUHKFWIASUNFBN-FXQIFTODSA-N 2 2 201.339 1.137 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132441225 371822680 /nfs/dbraw/zinc/82/26/80/371822680.db2.gz RUHKFWIASUNFBN-FXQIFTODSA-N 2 2 201.339 1.137 10 0 BDAELP C[C@H]1SCC[N@H+](CC2([NH3+])CC2)[C@H]1C ZINC000132489398 371838752 /nfs/dbraw/zinc/83/87/52/371838752.db2.gz NTNNFRURRBHVQK-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1SCC[N@@H+](CC2([NH3+])CC2)[C@H]1C ZINC000132489398 371838757 /nfs/dbraw/zinc/83/87/57/371838757.db2.gz NTNNFRURRBHVQK-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP Cc1ccc([C@@H]([NH3+])Cn2cc[nH+]c2)s1 ZINC000059112833 372143042 /nfs/dbraw/zinc/14/30/42/372143042.db2.gz SXNDZYRHYUROJV-VIFPVBQESA-N 2 2 207.302 1.953 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)co1 ZINC000631837031 372626613 /nfs/dbraw/zinc/62/66/13/372626613.db2.gz LVLDELSIEXVYRK-PSASIEDQSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)co1 ZINC000631837031 372626614 /nfs/dbraw/zinc/62/66/14/372626614.db2.gz LVLDELSIEXVYRK-PSASIEDQSA-N 2 2 209.293 1.010 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC000381765885 374145269 /nfs/dbraw/zinc/14/52/69/374145269.db2.gz PFDXUTDXUYUUPD-RASWUEQRSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC000381765885 374145271 /nfs/dbraw/zinc/14/52/71/374145271.db2.gz PFDXUTDXUYUUPD-RASWUEQRSA-N 2 2 202.729 1.941 10 0 BDAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCF)CC2)CCO1 ZINC000178325614 134308474 /nfs/dbraw/zinc/30/84/74/134308474.db2.gz BJHBBZPRCGQXBS-LBPRGKRZSA-N 2 2 244.354 1.531 10 0 BDAELP C[C@H]1C[N@H+](C2CC[NH+](CCCF)CC2)CCO1 ZINC000178325614 134308475 /nfs/dbraw/zinc/30/84/75/134308475.db2.gz BJHBBZPRCGQXBS-LBPRGKRZSA-N 2 2 244.354 1.531 10 0 BDAELP CCCCc1nc(NCC[NH3+])c2c([nH+]1)CCC2 ZINC000057328594 169027090 /nfs/dbraw/zinc/02/70/90/169027090.db2.gz ZKIQDGMXOVCXLM-UHFFFAOYSA-N 2 2 234.347 1.679 10 0 BDAELP O[C@@H]1C[NH2+]C[C@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000104252401 183208719 /nfs/dbraw/zinc/20/87/19/183208719.db2.gz SLUGHIBCDOEJAZ-CHWSQXEVSA-N 2 2 238.375 1.365 10 0 BDAELP O[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575097 183232386 /nfs/dbraw/zinc/23/23/86/183232386.db2.gz DGAXCJOMFRZPEO-OLZOCXBDSA-N 2 2 226.364 1.365 10 0 BDAELP CCC[N@H+](C[C@H](O)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071332185 169173029 /nfs/dbraw/zinc/17/30/29/169173029.db2.gz QKNGZZMOTUGRFN-CABCVRRESA-N 2 2 248.370 1.794 10 0 BDAELP CCC[N@@H+](C[C@H](O)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000071332185 169173031 /nfs/dbraw/zinc/17/30/31/169173031.db2.gz QKNGZZMOTUGRFN-CABCVRRESA-N 2 2 248.370 1.794 10 0 BDAELP Oc1cccc2c1CC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000041119502 183295824 /nfs/dbraw/zinc/29/58/24/183295824.db2.gz CKIRGFUJQSPJJR-ZDUSSCGKSA-N 2 2 243.310 1.866 10 0 BDAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1ccccc1C ZINC000043036228 169167355 /nfs/dbraw/zinc/16/73/55/169167355.db2.gz KGVKAEHGGFFOJU-AWEZNQCLSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1ccccc1C ZINC000043036228 169167356 /nfs/dbraw/zinc/16/73/56/169167356.db2.gz KGVKAEHGGFFOJU-AWEZNQCLSA-N 2 2 236.359 1.699 10 0 BDAELP CCCN(Cc1[nH+]ccn1C)[C@@H]1CCC[NH2+]C1 ZINC000104335125 169181793 /nfs/dbraw/zinc/18/17/93/169181793.db2.gz ADFNQRZAYJCREN-GFCCVEGCSA-N 2 2 236.363 1.384 10 0 BDAELP CCC[NH2+]CCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000042681352 169256410 /nfs/dbraw/zinc/25/64/10/169256410.db2.gz POQVKHUSFBZOEG-UHFFFAOYSA-N 3 2 241.423 1.792 10 0 BDAELP CCC[NH2+]CCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000042681352 169256412 /nfs/dbraw/zinc/25/64/12/169256412.db2.gz POQVKHUSFBZOEG-UHFFFAOYSA-N 3 2 241.423 1.792 10 0 BDAELP CCC[NH2+]C[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000052515194 169261618 /nfs/dbraw/zinc/26/16/18/169261618.db2.gz ZWYNBUOWDACDIH-CYBMUJFWSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+][C@H](C[NH3+])c1cccc(OC)c1OC ZINC000050270519 169288955 /nfs/dbraw/zinc/28/89/55/169288955.db2.gz QQPUGVLAJBDAHY-LLVKDONJSA-N 2 2 238.331 1.703 10 0 BDAELP CCC[NH2+]C[C@H](C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419797 169263095 /nfs/dbraw/zinc/26/30/95/169263095.db2.gz UCTHEUQLNGRBCT-ZDUSSCGKSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+]C[C@H](C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419797 169263098 /nfs/dbraw/zinc/26/30/98/169263098.db2.gz UCTHEUQLNGRBCT-ZDUSSCGKSA-N 3 2 241.423 1.648 10 0 BDAELP c1ccc(CC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000022937036 183392854 /nfs/dbraw/zinc/39/28/54/183392854.db2.gz GIFMTTHSVHBWDY-UHFFFAOYSA-N 2 2 218.344 1.915 10 0 BDAELP c1ccc(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC000096964512 183398420 /nfs/dbraw/zinc/39/84/20/183398420.db2.gz VHRYZWKTFXHRDQ-HNNXBMFYSA-N 2 2 246.354 1.641 10 0 BDAELP c1ccc(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)cc1 ZINC000096964512 183398423 /nfs/dbraw/zinc/39/84/23/183398423.db2.gz VHRYZWKTFXHRDQ-HNNXBMFYSA-N 2 2 246.354 1.641 10 0 BDAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425194 169291902 /nfs/dbraw/zinc/29/19/02/169291902.db2.gz YRXPLDNTSCBESJ-XUXIUFHCSA-N 2 2 240.391 1.731 10 0 BDAELP CCC[NH2+][C@H]1CCOC[C@@H]1[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC000104425194 169291904 /nfs/dbraw/zinc/29/19/04/169291904.db2.gz YRXPLDNTSCBESJ-XUXIUFHCSA-N 2 2 240.391 1.731 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCOC1)C2 ZINC000309341520 383872612 /nfs/dbraw/zinc/87/26/12/383872612.db2.gz KKOWSVCSSNZOCM-NXEZZACHSA-N 2 2 221.304 1.036 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000309341520 383872615 /nfs/dbraw/zinc/87/26/15/383872615.db2.gz KKOWSVCSSNZOCM-NXEZZACHSA-N 2 2 221.304 1.036 10 0 BDAELP c1c[nH+]c2cc(N3CC[NH2+]CC3)ccc2c1 ZINC000088101827 383877679 /nfs/dbraw/zinc/87/76/79/383877679.db2.gz KWXCLRDVTINASG-UHFFFAOYSA-N 2 2 213.284 1.644 10 0 BDAELP C[N@H+](C1CC[NH2+]CC1)[C@H]1CCCCC1=O ZINC000050158718 383946394 /nfs/dbraw/zinc/94/63/94/383946394.db2.gz NGSHPLQJVFYZGJ-NSHDSACASA-N 2 2 210.321 1.182 10 0 BDAELP C[N@@H+](C1CC[NH2+]CC1)[C@H]1CCCCC1=O ZINC000050158718 383946401 /nfs/dbraw/zinc/94/64/01/383946401.db2.gz NGSHPLQJVFYZGJ-NSHDSACASA-N 2 2 210.321 1.182 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(Br)s1 ZINC000035677010 384089565 /nfs/dbraw/zinc/08/95/65/384089565.db2.gz QANOLTOLTKGRFP-BYPYZUCNSA-N 2 2 221.123 1.469 10 0 BDAELP CN(c1[nH]c2ccccc2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000070897177 384139754 /nfs/dbraw/zinc/13/97/54/384139754.db2.gz RREFERKQXKBOIY-SECBINFHSA-N 2 2 216.288 1.361 10 0 BDAELP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)nn1 ZINC000095069842 384335344 /nfs/dbraw/zinc/33/53/44/384335344.db2.gz LOYYVFWHNWBHFW-SECBINFHSA-N 2 2 240.738 1.219 10 0 BDAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000095072278 384342752 /nfs/dbraw/zinc/34/27/52/384342752.db2.gz LNIIYMZGKXCBNO-NEPJUHHUSA-N 2 2 205.305 1.441 10 0 BDAELP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072557 384343493 /nfs/dbraw/zinc/34/34/93/384343493.db2.gz INNGQLWKRJFHOS-SECBINFHSA-N 2 2 240.738 1.301 10 0 BDAELP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072557 384343498 /nfs/dbraw/zinc/34/34/98/384343498.db2.gz INNGQLWKRJFHOS-SECBINFHSA-N 2 2 240.738 1.301 10 0 BDAELP C[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095075939 384350726 /nfs/dbraw/zinc/35/07/26/384350726.db2.gz JKXQRHRSEWMWBN-KGLIPLIRSA-N 2 2 234.343 1.089 10 0 BDAELP C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095075939 384350732 /nfs/dbraw/zinc/35/07/32/384350732.db2.gz JKXQRHRSEWMWBN-KGLIPLIRSA-N 2 2 234.343 1.089 10 0 BDAELP Cn1cc(Cl)c(C[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000335615169 384389667 /nfs/dbraw/zinc/38/96/67/384389667.db2.gz CLGMXLVYTWFOEK-VIFPVBQESA-N 2 2 242.754 1.305 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000314078733 384780152 /nfs/dbraw/zinc/78/01/52/384780152.db2.gz DCUMXJXKBXHRMV-CYBMUJFWSA-N 2 2 236.363 1.037 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000314078733 384780157 /nfs/dbraw/zinc/78/01/57/384780157.db2.gz DCUMXJXKBXHRMV-CYBMUJFWSA-N 2 2 236.363 1.037 10 0 BDAELP C[NH+](C)C[C@@H]1C[N@@H+](C[Si](C)(C)C)CCO1 ZINC000171746718 385513587 /nfs/dbraw/zinc/51/35/87/385513587.db2.gz CFJKABLSXUFDKH-LLVKDONJSA-N 2 2 230.428 1.126 10 0 BDAELP COC[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000397228910 386054892 /nfs/dbraw/zinc/05/48/92/386054892.db2.gz DQMNKBRHHDRHPN-JLLWLGSASA-N 2 2 212.337 1.142 10 0 BDAELP c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)nc1 ZINC000066745952 386705547 /nfs/dbraw/zinc/70/55/47/386705547.db2.gz OBLQQPCKFUAISP-LBPRGKRZSA-N 2 2 233.315 1.357 10 0 BDAELP c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)[nH+]c1 ZINC000066745952 386705554 /nfs/dbraw/zinc/70/55/54/386705554.db2.gz OBLQQPCKFUAISP-LBPRGKRZSA-N 2 2 233.315 1.357 10 0 BDAELP c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)[nH+]c1 ZINC000066745952 386705560 /nfs/dbraw/zinc/70/55/60/386705560.db2.gz OBLQQPCKFUAISP-LBPRGKRZSA-N 2 2 233.315 1.357 10 0 BDAELP Cc1cnc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)o1 ZINC000336309222 387138128 /nfs/dbraw/zinc/13/81/28/387138128.db2.gz GRKIQWXQZKIXEC-NSHDSACASA-N 2 2 223.320 1.557 10 0 BDAELP Cc1cnc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)o1 ZINC000336309222 387138133 /nfs/dbraw/zinc/13/81/33/387138133.db2.gz GRKIQWXQZKIXEC-NSHDSACASA-N 2 2 223.320 1.557 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000121232276 387317137 /nfs/dbraw/zinc/31/71/37/387317137.db2.gz MUOSFZJRDNSMKM-XBFCOCLRSA-N 2 2 240.391 1.730 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000121232276 387317142 /nfs/dbraw/zinc/31/71/42/387317142.db2.gz MUOSFZJRDNSMKM-XBFCOCLRSA-N 2 2 240.391 1.730 10 0 BDAELP C[C@@H]1CCS[C@@]2(CC[NH2+][C@H](C)C2)[NH2+]1 ZINC000575512950 387384646 /nfs/dbraw/zinc/38/46/46/387384646.db2.gz VWDIYHPDRIHIQS-OPRDCNLKSA-N 2 2 200.351 1.570 10 0 BDAELP CC1(C)C[C@@]2(CC[NH2+]1)[NH2+]CCCS2 ZINC000575512333 387385928 /nfs/dbraw/zinc/38/59/28/387385928.db2.gz NKGFBRMVLRNOAT-JTQLQIEISA-N 2 2 200.351 1.571 10 0 BDAELP COC[C@H](C)[N@H+](C)CC[NH2+]Cc1ccccc1 ZINC000053391983 387754062 /nfs/dbraw/zinc/75/40/62/387754062.db2.gz BVRCGWCVKJYMPN-ZDUSSCGKSA-N 2 2 236.359 1.743 10 0 BDAELP COC[C@H](C)[N@@H+](C)CC[NH2+]Cc1ccccc1 ZINC000053391983 387754073 /nfs/dbraw/zinc/75/40/73/387754073.db2.gz BVRCGWCVKJYMPN-ZDUSSCGKSA-N 2 2 236.359 1.743 10 0 BDAELP CC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245745323 387980406 /nfs/dbraw/zinc/98/04/06/387980406.db2.gz XWXTVKVYMMQAAL-DGCLKSJQSA-N 2 2 235.331 1.745 10 0 BDAELP CC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245745323 387980408 /nfs/dbraw/zinc/98/04/08/387980408.db2.gz XWXTVKVYMMQAAL-DGCLKSJQSA-N 2 2 235.331 1.745 10 0 BDAELP CO[C@H](C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000379205720 388597378 /nfs/dbraw/zinc/59/73/78/388597378.db2.gz LSGLPAAWMYAWCW-KWCYVHTRSA-N 2 2 234.343 1.653 10 0 BDAELP CO[C@H](C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000379205720 388597379 /nfs/dbraw/zinc/59/73/79/388597379.db2.gz LSGLPAAWMYAWCW-KWCYVHTRSA-N 2 2 234.343 1.653 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000249097548 388708462 /nfs/dbraw/zinc/70/84/62/388708462.db2.gz MNSOPDOFODBEKM-BFHYXJOUSA-N 2 2 242.407 1.977 10 0 BDAELP Nc1ccc(N2CC[NH+](CC3CC3)CC2)c[nH+]1 ZINC000036765456 132342524 /nfs/dbraw/zinc/34/25/24/132342524.db2.gz MHOHQNDIMCQKEV-UHFFFAOYSA-N 2 2 232.331 1.196 10 0 BDAELP CNc1cc(C(C)C)[nH+]c(N2CC[NH+](C)CC2)n1 ZINC000050851657 132359518 /nfs/dbraw/zinc/35/95/18/132359518.db2.gz ALGCHPXUUFBHQJ-UHFFFAOYSA-N 2 2 249.362 1.394 10 0 BDAELP [NH3+]Cc1c[nH+]c2ccccc2c1N1CC[NH2+]CC1 ZINC000052861007 132362704 /nfs/dbraw/zinc/36/27/04/132362704.db2.gz PQMXQARXGUSHRH-UHFFFAOYSA-N 3 2 242.326 1.103 10 0 BDAELP Cc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C)c[nH+]1 ZINC000083344487 132421743 /nfs/dbraw/zinc/42/17/43/132421743.db2.gz JWQJCNPHOLULQZ-QWRGUYRKSA-N 2 2 205.305 1.577 10 0 BDAELP c1cn(CCN2CCC[N@@H+](C3CC3)CC2)c[nH+]1 ZINC000179247969 134318598 /nfs/dbraw/zinc/31/85/98/134318598.db2.gz NNCRBCOLQTWMBT-UHFFFAOYSA-N 2 2 234.347 1.053 10 0 BDAELP c1cn(CCN2CCC[N@H+](C3CC3)CC2)c[nH+]1 ZINC000179247969 134318599 /nfs/dbraw/zinc/31/85/99/134318599.db2.gz NNCRBCOLQTWMBT-UHFFFAOYSA-N 2 2 234.347 1.053 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCn1cc[nH+]c1 ZINC000183178615 134348879 /nfs/dbraw/zinc/34/88/79/134348879.db2.gz DNZUWGXEAVPVOC-ZIAGYGMSSA-N 2 2 248.374 1.442 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCn1cc[nH+]c1 ZINC000183178615 134348880 /nfs/dbraw/zinc/34/88/80/134348880.db2.gz DNZUWGXEAVPVOC-ZIAGYGMSSA-N 2 2 248.374 1.442 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252688977 135096560 /nfs/dbraw/zinc/09/65/60/135096560.db2.gz PVVIKSGTNLOUMM-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000252688977 135096562 /nfs/dbraw/zinc/09/65/62/135096562.db2.gz PVVIKSGTNLOUMM-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cn1 ZINC000261530853 135159411 /nfs/dbraw/zinc/15/94/11/135159411.db2.gz DHNZQOJHJGGTOA-PWSUYJOCSA-N 2 2 205.305 1.312 10 0 BDAELP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cn1 ZINC000261530853 135159413 /nfs/dbraw/zinc/15/94/13/135159413.db2.gz DHNZQOJHJGGTOA-PWSUYJOCSA-N 2 2 205.305 1.312 10 0 BDAELP Cc1c(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cnn1C ZINC000261540315 135179304 /nfs/dbraw/zinc/17/93/04/135179304.db2.gz FXIWKIHTMOYVSL-MFKMUULPSA-N 2 2 236.363 1.288 10 0 BDAELP Cc1c(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cnn1C ZINC000261540315 135179305 /nfs/dbraw/zinc/17/93/05/135179305.db2.gz FXIWKIHTMOYVSL-MFKMUULPSA-N 2 2 236.363 1.288 10 0 BDAELP C[C@@H](c1cnn(C)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000261571261 135213162 /nfs/dbraw/zinc/21/31/62/135213162.db2.gz HJMALQHOQYOTSJ-VIFPVBQESA-N 2 2 210.325 1.150 10 0 BDAELP C[C@@H](c1cnn(C)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000261571261 135213164 /nfs/dbraw/zinc/21/31/64/135213164.db2.gz HJMALQHOQYOTSJ-VIFPVBQESA-N 2 2 210.325 1.150 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261546228 135238555 /nfs/dbraw/zinc/23/85/55/135238555.db2.gz GRJAONUVJPJRNO-NWDGAFQWSA-N 2 2 235.306 1.262 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261546228 135238557 /nfs/dbraw/zinc/23/85/57/135238557.db2.gz GRJAONUVJPJRNO-NWDGAFQWSA-N 2 2 235.306 1.262 10 0 BDAELP COc1ccc[nH+]c1NC1CCC([NH3+])CC1 ZINC000160186252 487595298 /nfs/dbraw/zinc/59/52/98/487595298.db2.gz BALIWMLRJKCJBD-UHFFFAOYSA-N 2 2 221.304 1.772 10 0 BDAELP CO[C@H](C[NH2+][C@H]1CC[NH2+]C1)C1CCCC1 ZINC000662264343 409561894 /nfs/dbraw/zinc/56/18/94/409561894.db2.gz JELOKKDCRRKWCN-NWDGAFQWSA-N 2 2 212.337 1.143 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)C1 ZINC000393376702 410679581 /nfs/dbraw/zinc/67/95/81/410679581.db2.gz LVSJIHIQXMLOAO-LBPRGKRZSA-N 2 2 226.364 1.487 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)C1 ZINC000393376702 410679582 /nfs/dbraw/zinc/67/95/82/410679582.db2.gz LVSJIHIQXMLOAO-LBPRGKRZSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)C[NH2+]CC[N@H+](C)CCc1ccncc1 ZINC000052483068 167004183 /nfs/dbraw/zinc/00/41/83/167004183.db2.gz HTNCOYKVJJXYAI-UHFFFAOYSA-N 2 2 235.375 1.802 10 0 BDAELP CC(C)C[NH2+]CC[N@@H+](C)CCc1ccncc1 ZINC000052483068 167004184 /nfs/dbraw/zinc/00/41/84/167004184.db2.gz HTNCOYKVJJXYAI-UHFFFAOYSA-N 2 2 235.375 1.802 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931200 167030569 /nfs/dbraw/zinc/03/05/69/167030569.db2.gz FJRXQUXPICMBKK-FDYHWXHSSA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@H]2C[C@H]2C)C1 ZINC000308931200 167030574 /nfs/dbraw/zinc/03/05/74/167030574.db2.gz FJRXQUXPICMBKK-FDYHWXHSSA-N 2 2 210.365 1.961 10 0 BDAELP CCC[C@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000309515106 411157736 /nfs/dbraw/zinc/15/77/36/411157736.db2.gz YLAUFDHSQWEDKO-JGVFFNPUSA-N 2 2 210.281 1.294 10 0 BDAELP Cc1ccccc1C1([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000215640435 411215520 /nfs/dbraw/zinc/21/55/20/411215520.db2.gz NBNUTZWXAWXYLR-GFCCVEGCSA-N 2 2 216.328 1.936 10 0 BDAELP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702118 411327086 /nfs/dbraw/zinc/32/70/86/411327086.db2.gz LPWBTDKHPDJALL-RYUDHWBXSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702118 411327089 /nfs/dbraw/zinc/32/70/89/411327089.db2.gz LPWBTDKHPDJALL-RYUDHWBXSA-N 2 2 242.407 1.856 10 0 BDAELP COc1ccc[nH+]c1NCC1(C)CC[NH2+]CC1 ZINC000129471605 411290177 /nfs/dbraw/zinc/29/01/77/411290177.db2.gz ZXTQYDAPISXOTN-UHFFFAOYSA-N 2 2 235.331 1.892 10 0 BDAELP CC(C)(C)[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657358957 411476506 /nfs/dbraw/zinc/47/65/06/411476506.db2.gz IKVDVHFUDCRKQL-NSHDSACASA-N 2 2 237.347 1.326 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CCCCO)[C@@H](C)C1 ZINC000309942305 170037587 /nfs/dbraw/zinc/03/75/87/170037587.db2.gz BZYRNICTPNMGTK-XQQFMLRXSA-N 2 2 228.380 1.467 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CCCCO)[C@@H](C)C1 ZINC000309942305 170037588 /nfs/dbraw/zinc/03/75/88/170037588.db2.gz BZYRNICTPNMGTK-XQQFMLRXSA-N 2 2 228.380 1.467 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000309965422 170039553 /nfs/dbraw/zinc/03/95/53/170039553.db2.gz NFZKDXGVRUEQBF-UMSGYPCISA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1 ZINC000309965422 170039554 /nfs/dbraw/zinc/03/95/54/170039554.db2.gz NFZKDXGVRUEQBF-UMSGYPCISA-N 2 2 226.364 1.341 10 0 BDAELP CC[NH2+]C[C@@H](O)C[N@H+](Cc1ccco1)C1CC1 ZINC000042692946 170118724 /nfs/dbraw/zinc/11/87/24/170118724.db2.gz GTDHFYNAQPAWLI-GFCCVEGCSA-N 2 2 238.331 1.214 10 0 BDAELP CC[NH2+]C[C@@H](O)C[N@@H+](Cc1ccco1)C1CC1 ZINC000042692946 170118725 /nfs/dbraw/zinc/11/87/25/170118725.db2.gz GTDHFYNAQPAWLI-GFCCVEGCSA-N 2 2 238.331 1.214 10 0 BDAELP CC[NH2+]C[C@H](CC)[N@H+](C)CCc1ccncc1 ZINC000052483042 170122088 /nfs/dbraw/zinc/12/20/88/170122088.db2.gz MJZUHBYHGNQAOR-AWEZNQCLSA-N 2 2 235.375 1.944 10 0 BDAELP CC[NH2+]C[C@H](CC)[N@@H+](C)CCc1ccncc1 ZINC000052483042 170122089 /nfs/dbraw/zinc/12/20/89/170122089.db2.gz MJZUHBYHGNQAOR-AWEZNQCLSA-N 2 2 235.375 1.944 10 0 BDAELP CC[NH2+]Cc1ccc(-n2cc[nH+]c2C)nn1 ZINC000051491143 170126803 /nfs/dbraw/zinc/12/68/03/170126803.db2.gz IHTKPMTWKHLSKE-UHFFFAOYSA-N 2 2 217.276 1.080 10 0 BDAELP CC[NH2+]Cc1nc2c(s1)C[N@H+](CC)CC2 ZINC000053294414 170132111 /nfs/dbraw/zinc/13/21/11/170132111.db2.gz OKNKVQSICIDJGO-UHFFFAOYSA-N 2 2 225.361 1.631 10 0 BDAELP CC[NH2+]Cc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000053294414 170132113 /nfs/dbraw/zinc/13/21/13/170132113.db2.gz OKNKVQSICIDJGO-UHFFFAOYSA-N 2 2 225.361 1.631 10 0 BDAELP CC[NH2+][C@@H](C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061917187 170139105 /nfs/dbraw/zinc/13/91/05/170139105.db2.gz ACECCNFOTYZTEB-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@@H](C)C[N@H+]1CCCO[C@H](C)C1 ZINC000061917187 170139107 /nfs/dbraw/zinc/13/91/07/170139107.db2.gz ACECCNFOTYZTEB-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000053861137 170150404 /nfs/dbraw/zinc/15/04/04/170150404.db2.gz URSUVANIEPIYLJ-VXGBXAGGSA-N 2 2 212.337 1.097 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000104194852 170166931 /nfs/dbraw/zinc/16/69/31/170166931.db2.gz JAMZZDIQSVGSMH-MELADBBJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104194852 170166932 /nfs/dbraw/zinc/16/69/32/170166932.db2.gz JAMZZDIQSVGSMH-MELADBBJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCOC[C@H]1[NH+]1CCCCCC1 ZINC000043812254 170168747 /nfs/dbraw/zinc/16/87/47/170168747.db2.gz XCRJYWOFRHHGNA-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CCOCCC[NH2+]CC[NH+]1CCCC1 ZINC000041626562 170380551 /nfs/dbraw/zinc/38/05/51/170380551.db2.gz FDLLZAVSVOJDJO-UHFFFAOYSA-N 2 2 200.326 1.098 10 0 BDAELP CC(C)[N@@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616598829 411872687 /nfs/dbraw/zinc/87/26/87/411872687.db2.gz STGGLHWSECIQBX-LBPRGKRZSA-N 2 2 235.331 1.488 10 0 BDAELP CC(C)[N@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616598829 411872689 /nfs/dbraw/zinc/87/26/89/411872689.db2.gz STGGLHWSECIQBX-LBPRGKRZSA-N 2 2 235.331 1.488 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000036326760 171106818 /nfs/dbraw/zinc/10/68/18/171106818.db2.gz QFORDACPVALNHR-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[C@@H]1COCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000036326760 171106820 /nfs/dbraw/zinc/10/68/20/171106820.db2.gz QFORDACPVALNHR-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[C@@](C)(C[NH3+])C[N@H+](CCN(C)C)CC(C)C ZINC000051250606 171166060 /nfs/dbraw/zinc/16/60/60/171166060.db2.gz UNFRRSGZEZYNOT-AWEZNQCLSA-N 2 2 243.439 1.881 10 0 BDAELP CC[C@@](C)(C[NH3+])C[N@@H+](CCN(C)C)CC(C)C ZINC000051250606 171166063 /nfs/dbraw/zinc/16/60/63/171166063.db2.gz UNFRRSGZEZYNOT-AWEZNQCLSA-N 2 2 243.439 1.881 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@@H+]1CCCOCC1 ZINC000061934791 171372329 /nfs/dbraw/zinc/37/23/29/171372329.db2.gz MQBMDBAEGGDGPN-QWRGUYRKSA-N 2 2 200.326 1.082 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])C[N@H+]1CCCOCC1 ZINC000061934791 171372331 /nfs/dbraw/zinc/37/23/31/171372331.db2.gz MQBMDBAEGGDGPN-QWRGUYRKSA-N 2 2 200.326 1.082 10 0 BDAELP CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(C[NH3+])n1 ZINC000662318736 412098001 /nfs/dbraw/zinc/09/80/01/412098001.db2.gz FMLPEUBBXNURNS-PBINXNQUSA-N 2 2 236.319 1.291 10 0 BDAELP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(C[NH3+])n1 ZINC000662318736 412098006 /nfs/dbraw/zinc/09/80/06/412098006.db2.gz FMLPEUBBXNURNS-PBINXNQUSA-N 2 2 236.319 1.291 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC000194951774 172029047 /nfs/dbraw/zinc/02/90/47/172029047.db2.gz DIHDSBNJRMSJBD-NEPJUHHUSA-N 2 2 237.347 1.463 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC000194951774 172029049 /nfs/dbraw/zinc/02/90/49/172029049.db2.gz DIHDSBNJRMSJBD-NEPJUHHUSA-N 2 2 237.347 1.463 10 0 BDAELP CCn1c(CC[NH2+]C)[nH+]c2cc(OC)ccc21 ZINC000074297957 172144742 /nfs/dbraw/zinc/14/47/42/172144742.db2.gz PBGCJJWVYZZOGM-UHFFFAOYSA-N 2 2 233.315 1.827 10 0 BDAELP CCn1nc(C)c(C[N@@H+]2CCC[C@H]2C[NH3+])c1C ZINC000020315853 172245708 /nfs/dbraw/zinc/24/57/08/172245708.db2.gz RWKKDVHVKCBKDF-LBPRGKRZSA-N 2 2 236.363 1.443 10 0 BDAELP CCn1nc(C)c(C[N@H+]2CCC[C@H]2C[NH3+])c1C ZINC000020315853 172245711 /nfs/dbraw/zinc/24/57/11/172245711.db2.gz RWKKDVHVKCBKDF-LBPRGKRZSA-N 2 2 236.363 1.443 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCCOCC1CC1 ZINC000054240396 173003942 /nfs/dbraw/zinc/00/39/42/173003942.db2.gz OIWXADILVJVRCI-CQSZACIVSA-N 2 2 240.391 1.877 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CCCOCC1CC1 ZINC000054240396 173003944 /nfs/dbraw/zinc/00/39/44/173003944.db2.gz OIWXADILVJVRCI-CQSZACIVSA-N 2 2 240.391 1.877 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000052172568 173004368 /nfs/dbraw/zinc/00/43/68/173004368.db2.gz CRPOROUUUGILQN-CYBMUJFWSA-N 2 2 226.364 1.487 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC000052172568 173004369 /nfs/dbraw/zinc/00/43/69/173004369.db2.gz CRPOROUUUGILQN-CYBMUJFWSA-N 2 2 226.364 1.487 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000044562750 173005981 /nfs/dbraw/zinc/00/59/81/173005981.db2.gz JSGCQCZTIWFMGU-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCO1 ZINC000044562750 173005983 /nfs/dbraw/zinc/00/59/83/173005983.db2.gz JSGCQCZTIWFMGU-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[N@@H+]1CCC[C@@H]1CCOc1cc[nH+]cc1N ZINC000040240456 173028964 /nfs/dbraw/zinc/02/89/64/173028964.db2.gz LQUIYCCDBWOVED-SNVBAGLBSA-N 2 2 221.304 1.527 10 0 BDAELP C[N@H+]1CCC[C@@H]1CCOc1cc[nH+]cc1N ZINC000040240456 173028966 /nfs/dbraw/zinc/02/89/66/173028966.db2.gz LQUIYCCDBWOVED-SNVBAGLBSA-N 2 2 221.304 1.527 10 0 BDAELP CN(c1ccc(N)[nH+]c1)[C@H]1CCC[N@H+](C)C1 ZINC000053205892 173043704 /nfs/dbraw/zinc/04/37/04/173043704.db2.gz GCCVEFIRGXKBCH-NSHDSACASA-N 2 2 220.320 1.194 10 0 BDAELP CN(c1ccc(N)[nH+]c1)[C@H]1CCC[N@@H+](C)C1 ZINC000053205892 173043706 /nfs/dbraw/zinc/04/37/06/173043706.db2.gz GCCVEFIRGXKBCH-NSHDSACASA-N 2 2 220.320 1.194 10 0 BDAELP CN(C)c1[nH+]cccc1N[C@@H]1CC[N@H+](C)C1 ZINC000061985876 173126547 /nfs/dbraw/zinc/12/65/47/173126547.db2.gz ISQHIBYHUIDEPS-SNVBAGLBSA-N 2 2 220.320 1.264 10 0 BDAELP CN(C)c1[nH+]cccc1N[C@@H]1CC[N@@H+](C)C1 ZINC000061985876 173126550 /nfs/dbraw/zinc/12/65/50/173126550.db2.gz ISQHIBYHUIDEPS-SNVBAGLBSA-N 2 2 220.320 1.264 10 0 BDAELP CNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)[nH+]c1C ZINC000042562042 173302927 /nfs/dbraw/zinc/30/29/27/173302927.db2.gz NTHZVLHFGFDNDE-RYUDHWBXSA-N 2 2 249.358 1.792 10 0 BDAELP CNC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)[nH+]c1C ZINC000042562041 173303714 /nfs/dbraw/zinc/30/37/14/173303714.db2.gz NTHZVLHFGFDNDE-NEPJUHHUSA-N 2 2 249.358 1.792 10 0 BDAELP C[NH2+]CCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000001657774 173346539 /nfs/dbraw/zinc/34/65/39/173346539.db2.gz ZGRVRROCGHZSRK-UHFFFAOYSA-N 3 2 213.369 1.014 10 0 BDAELP C[NH2+]CCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000001657774 173346537 /nfs/dbraw/zinc/34/65/37/173346537.db2.gz ZGRVRROCGHZSRK-UHFFFAOYSA-N 3 2 213.369 1.014 10 0 BDAELP C[NH2+]CCc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000019733990 173361368 /nfs/dbraw/zinc/36/13/68/173361368.db2.gz FXMIHIMKLWSJQM-UHFFFAOYSA-N 2 2 203.289 1.942 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCOCC1(C)C ZINC000052546006 173361938 /nfs/dbraw/zinc/36/19/38/173361938.db2.gz VAQJJCQUJNMHIC-NSHDSACASA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCOCC1(C)C ZINC000052546006 173361940 /nfs/dbraw/zinc/36/19/40/173361940.db2.gz VAQJJCQUJNMHIC-NSHDSACASA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543347 173362875 /nfs/dbraw/zinc/36/28/75/173362875.db2.gz WFRDIIRHYXLJJN-NEPJUHHUSA-N 2 2 228.380 1.730 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000052543347 173362876 /nfs/dbraw/zinc/36/28/76/173362876.db2.gz WFRDIIRHYXLJJN-NEPJUHHUSA-N 2 2 228.380 1.730 10 0 BDAELP C[NH2+]C[C@@H]1C[N@H+](CCc2cccs2)CCO1 ZINC000071550246 173371422 /nfs/dbraw/zinc/37/14/22/173371422.db2.gz BMFWCHNBUYEHLE-LLVKDONJSA-N 2 2 240.372 1.211 10 0 BDAELP C[NH2+]C[C@@H]1C[N@@H+](CCc2cccs2)CCO1 ZINC000071550246 173371424 /nfs/dbraw/zinc/37/14/24/173371424.db2.gz BMFWCHNBUYEHLE-LLVKDONJSA-N 2 2 240.372 1.211 10 0 BDAELP C[NH2+]C[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)CCO1 ZINC000071544608 173372044 /nfs/dbraw/zinc/37/20/44/173372044.db2.gz YLWQAWONTGOQKL-GXTWGEPZSA-N 2 2 234.343 1.668 10 0 BDAELP C[NH2+]C[C@@H]1C[N@H+]([C@@H](C)c2ccccc2)CCO1 ZINC000071544608 173372046 /nfs/dbraw/zinc/37/20/46/173372046.db2.gz YLWQAWONTGOQKL-GXTWGEPZSA-N 2 2 234.343 1.668 10 0 BDAELP COc1ccc([C@H]([NH3+])C[NH+]2CCCC2)cc1F ZINC000020260100 175192266 /nfs/dbraw/zinc/19/22/66/175192266.db2.gz WJCQYCBKNJPVHC-GFCCVEGCSA-N 2 2 238.306 1.930 10 0 BDAELP COc1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])CCO2 ZINC000037713009 175214422 /nfs/dbraw/zinc/21/44/22/175214422.db2.gz DCOULJWERZEDKF-NSHDSACASA-N 2 2 222.288 1.067 10 0 BDAELP COc1ccc2ccccc2c1[C@H]([NH3+])C[NH3+] ZINC000035676910 175226615 /nfs/dbraw/zinc/22/66/15/175226615.db2.gz QMBWHOADXOMFNB-LLVKDONJSA-N 2 2 216.284 1.807 10 0 BDAELP COc1cccc(-n2c[nH+]cc2CC[NH3+])c1 ZINC000076646311 175240100 /nfs/dbraw/zinc/24/01/00/175240100.db2.gz ZFJFNJATMFMBOD-UHFFFAOYSA-N 2 2 217.272 1.382 10 0 BDAELP COc1cccc(CCn2c[nH+]cc2C[NH3+])c1 ZINC000076678372 175253499 /nfs/dbraw/zinc/25/34/99/175253499.db2.gz BPTIEYJKBGXUDA-UHFFFAOYSA-N 2 2 231.299 1.593 10 0 BDAELP COc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)c1 ZINC000045946273 175264846 /nfs/dbraw/zinc/26/48/46/175264846.db2.gz QCXZCEKULGQRMF-UHFFFAOYSA-N 2 2 231.299 1.751 10 0 BDAELP COc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)c1 ZINC000045946273 175264849 /nfs/dbraw/zinc/26/48/49/175264849.db2.gz QCXZCEKULGQRMF-UHFFFAOYSA-N 2 2 231.299 1.751 10 0 BDAELP COc1cccc(Cc2[nH]c(C[NH3+])c[nH+]2)c1 ZINC000062820830 175272586 /nfs/dbraw/zinc/27/25/86/175272586.db2.gz RKYNXEFLDPSPOY-UHFFFAOYSA-N 2 2 217.272 1.468 10 0 BDAELP COc1cccc([C@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000034977377 175294039 /nfs/dbraw/zinc/29/40/39/175294039.db2.gz SSDBHRDKFAXLLC-LLVKDONJSA-N 2 2 217.272 1.661 10 0 BDAELP COc1ccccc1C[N@@H+]1CC[NH2+]CC[C@@H]1C ZINC000071544624 175326983 /nfs/dbraw/zinc/32/69/83/175326983.db2.gz KUJZIMONTPVVFC-LBPRGKRZSA-N 2 2 234.343 1.879 10 0 BDAELP COc1ccccc1C[N@H+]1CC[NH2+]CC[C@@H]1C ZINC000071544624 175326984 /nfs/dbraw/zinc/32/69/84/175326984.db2.gz KUJZIMONTPVVFC-LBPRGKRZSA-N 2 2 234.343 1.879 10 0 BDAELP COc1ccccc1C[C@H]([NH3+])C[NH+](C)C ZINC000071511245 175333853 /nfs/dbraw/zinc/33/38/53/175333853.db2.gz AVIDOSCHSPPFLR-NSHDSACASA-N 2 2 208.305 1.127 10 0 BDAELP COc1ccccc1[C@@H]([C@H](C)[NH3+])n1cc[nH+]c1 ZINC000043098672 175348246 /nfs/dbraw/zinc/34/82/46/175348246.db2.gz NMGWJQUUZJCFQE-GXFFZTMASA-N 2 2 231.299 1.828 10 0 BDAELP C[C@@H]([NH3+])[C@H](c1ccccn1)[NH+]1CCCC1 ZINC000043338700 175813849 /nfs/dbraw/zinc/81/38/49/175813849.db2.gz FDFXDXLMGJVGEP-ZYHUDNBSSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H]1C[N@H+](CCCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071563504 176289814 /nfs/dbraw/zinc/28/98/14/176289814.db2.gz ZAULHXQRBFCTKV-HIFRSBDPSA-N 2 2 248.370 1.667 10 0 BDAELP C[C@@H]1C[N@@H+](CCCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071563504 176289816 /nfs/dbraw/zinc/28/98/16/176289816.db2.gz ZAULHXQRBFCTKV-HIFRSBDPSA-N 2 2 248.370 1.667 10 0 BDAELP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593520 176291873 /nfs/dbraw/zinc/29/18/73/176291873.db2.gz DMRUWCINOKHEND-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593520 176291874 /nfs/dbraw/zinc/29/18/74/176291874.db2.gz DMRUWCINOKHEND-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])o2)CC(C)(C)O1 ZINC000052543473 176303662 /nfs/dbraw/zinc/30/36/62/176303662.db2.gz WMSMSULPBMQHBH-SNVBAGLBSA-N 2 2 238.331 1.738 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])o2)CC(C)(C)O1 ZINC000052543473 176303663 /nfs/dbraw/zinc/30/36/63/176303663.db2.gz WMSMSULPBMQHBH-SNVBAGLBSA-N 2 2 238.331 1.738 10 0 BDAELP C[C@@H]1C[NH2+]CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000049665943 176324411 /nfs/dbraw/zinc/32/44/11/176324411.db2.gz LMCRSDOOHNYSID-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1C[NH2+]CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000049665943 176324412 /nfs/dbraw/zinc/32/44/12/176324412.db2.gz LMCRSDOOHNYSID-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1COCC[N@@H+]1Cc1cc(C[NH3+])ccc1F ZINC000035774123 176337884 /nfs/dbraw/zinc/33/78/84/176337884.db2.gz XIYAHZVUQPTYEH-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@@H]1COCC[N@H+]1Cc1cc(C[NH3+])ccc1F ZINC000035774123 176337885 /nfs/dbraw/zinc/33/78/85/176337885.db2.gz XIYAHZVUQPTYEH-SNVBAGLBSA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000095068297 177035003 /nfs/dbraw/zinc/03/50/03/177035003.db2.gz IQQMOMUKMGXIKN-GHMZBOCLSA-N 2 2 207.321 1.889 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000095068297 177035006 /nfs/dbraw/zinc/03/50/06/177035006.db2.gz IQQMOMUKMGXIKN-GHMZBOCLSA-N 2 2 207.321 1.889 10 0 BDAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019265014 177103763 /nfs/dbraw/zinc/10/37/63/177103763.db2.gz KIZSJRADCYCJDP-AAEUAGOBSA-N 2 2 219.332 1.813 10 0 BDAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019265014 177103765 /nfs/dbraw/zinc/10/37/65/177103765.db2.gz KIZSJRADCYCJDP-AAEUAGOBSA-N 2 2 219.332 1.813 10 0 BDAELP C[C@H]1CC[N@H+](CCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235596914 177158795 /nfs/dbraw/zinc/15/87/95/177158795.db2.gz RPTIFGVAPJKDJJ-DTWKUNHWSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@H]1CC[N@@H+](CCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000235596914 177158797 /nfs/dbraw/zinc/15/87/97/177158797.db2.gz RPTIFGVAPJKDJJ-DTWKUNHWSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCCn1cc[nH+]c1 ZINC000042427522 177189066 /nfs/dbraw/zinc/18/90/66/177189066.db2.gz NSKIDNQVPWKJAO-STQMWFEESA-N 3 2 236.363 1.332 10 0 BDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1CCCn1cc[nH+]c1 ZINC000042427522 177189068 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CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000246495386 490204076 /nfs/dbraw/zinc/20/40/76/490204076.db2.gz MQZCTMQXPIZJRB-OLZOCXBDSA-N 2 2 248.374 1.479 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000394977355 491162380 /nfs/dbraw/zinc/16/23/80/491162380.db2.gz CKCGTNFQLJXXSW-WHOHXGKFSA-N 2 2 212.337 1.236 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1 ZINC000394977355 491162381 /nfs/dbraw/zinc/16/23/81/491162381.db2.gz CKCGTNFQLJXXSW-WHOHXGKFSA-N 2 2 212.337 1.236 10 0 BDAELP CC(C)[C@H]1[NH2+][C@]2(CC[NH2+]C2)OCC1(C)C ZINC000757143698 582523828 /nfs/dbraw/zinc/52/38/28/582523828.db2.gz DZEGVSNGRNJFEN-ZYHUDNBSSA-N 2 2 212.337 1.347 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1ccc(C=O)s1 ZINC000757218646 582562549 /nfs/dbraw/zinc/56/25/49/582562549.db2.gz VOZGDPVFICZDQJ-VHSKPIJISA-N 2 2 224.329 1.558 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000087479311 535583057 /nfs/dbraw/zinc/58/30/57/535583057.db2.gz 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/nfs/dbraw/zinc/56/39/61/582563961.db2.gz WVDRUXLMMLWMQN-ZHAHWJHGSA-N 2 2 205.305 1.409 10 0 BDAELP CC[NH2+]C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000259163301 582807310 /nfs/dbraw/zinc/80/73/10/582807310.db2.gz DQJRBQGMSNHLGY-LLVKDONJSA-N 2 2 206.289 1.231 10 0 BDAELP CO[C@@H]1C[NH2+][C@H](C[NH+](C(C)C)C(C)C)C1 ZINC000675054299 583929715 /nfs/dbraw/zinc/92/97/15/583929715.db2.gz FYKPQKSVLDKMAW-RYUDHWBXSA-N 2 2 214.353 1.482 10 0 BDAELP CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1[nH]cc[nH+]1 ZINC000757185836 586434180 /nfs/dbraw/zinc/43/41/80/586434180.db2.gz AXYWUFIVKNNREK-IUCAKERBSA-N 2 2 237.303 1.054 10 0 BDAELP [NH3+]C[C@H]1CC[C@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211645 586438801 /nfs/dbraw/zinc/43/88/01/586438801.db2.gz HZLOBHZNLCJRHN-DTWKUNHWSA-N 2 2 224.329 1.355 10 0 BDAELP C[C@@H]1C[NH2+][C@H](c2cccc(N)c2)[C@H]([NH3+])C1 ZINC000757215240 586440403 /nfs/dbraw/zinc/44/04/03/586440403.db2.gz MUHLVZWWCCQJLT-XXILOJSOSA-N 2 2 205.305 1.267 10 0 BDAELP CCn1cc([C@@H]2CC[C@@H]([NH3+])[C@H](C)[NH2+]2)cn1 ZINC000757227484 586442675 /nfs/dbraw/zinc/44/26/75/586442675.db2.gz BWDZMHPSVWTBBV-GDPRMGEGSA-N 2 2 208.309 1.043 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cnn(C(C)(C)C)c2)[C@H]1[NH3+] ZINC000757239584 586444225 /nfs/dbraw/zinc/44/42/25/586444225.db2.gz UYIYLCSXZIXBOM-ADEWGFFLSA-N 2 2 236.363 1.636 10 0 BDAELP C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161736 591266884 /nfs/dbraw/zinc/26/68/84/591266884.db2.gz CWAMDSHSKZRHIR-KGLIPLIRSA-N 3 2 239.407 1.593 10 0 BDAELP Cc1ccc(OCC[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000300047432 592501797 /nfs/dbraw/zinc/50/17/97/592501797.db2.gz DNAJAMASFBJYQI-GXTWGEPZSA-N 2 2 234.343 1.653 10 0 BDAELP Cc1ccc(OCC[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000300047432 592501800 /nfs/dbraw/zinc/50/18/00/592501800.db2.gz DNAJAMASFBJYQI-GXTWGEPZSA-N 2 2 234.343 1.653 10 0 BDAELP CCc1nc(N2CCCC[C@H]2C[NH2+]C)cc(C)[nH+]1 ZINC000310646173 632839958 /nfs/dbraw/zinc/83/99/58/632839958.db2.gz DYRVWUSZLVFSLQ-LBPRGKRZSA-N 2 2 248.374 1.926 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000238611832 642823073 /nfs/dbraw/zinc/82/30/73/642823073.db2.gz RVVLAKYTNMYFKE-FRRDWIJNSA-N 2 2 202.301 1.576 10 0 BDAELP [NH3+][C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000238611832 642823076 /nfs/dbraw/zinc/82/30/76/642823076.db2.gz RVVLAKYTNMYFKE-FRRDWIJNSA-N 2 2 202.301 1.576 10 0 BDAELP Cc1ccc(N)cc1[C@H]1[NH2+]CCC[C@H]1[NH3+] ZINC000757236346 643372618 /nfs/dbraw/zinc/37/26/18/643372618.db2.gz OJEFIUCNHDUTLE-VXGBXAGGSA-N 2 2 205.305 1.329 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CCC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000713592138 712465980 /nfs/dbraw/zinc/46/59/80/712465980.db2.gz MFEFJFAFMVDJRN-WOPDTQHZSA-N 2 2 226.364 1.471 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CCC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000713592138 712465981 /nfs/dbraw/zinc/46/59/81/712465981.db2.gz MFEFJFAFMVDJRN-WOPDTQHZSA-N 2 2 226.364 1.471 10 0 BDAELP Cc1[nH]c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)[nH+]1 ZINC000724786376 711614956 /nfs/dbraw/zinc/61/49/56/711614956.db2.gz RGFCCBZBZFIQHI-ZWNOBZJWSA-N 2 2 248.374 1.695 10 0 BDAELP Cc1[nH]c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)[nH+]1 ZINC000724786376 711614958 /nfs/dbraw/zinc/61/49/58/711614958.db2.gz RGFCCBZBZFIQHI-ZWNOBZJWSA-N 2 2 248.374 1.695 10 0 BDAELP CC1(C)CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2)OC1 ZINC000711387326 712296760 /nfs/dbraw/zinc/29/67/60/712296760.db2.gz YHROGBJBGWVAHC-GHMZBOCLSA-N 2 2 212.337 1.143 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712437949 712430032 /nfs/dbraw/zinc/43/00/32/712430032.db2.gz MASLIUIWJNKMAR-NWDGAFQWSA-N 2 2 224.348 1.511 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(CCC2)O1 ZINC000712437949 712430033 /nfs/dbraw/zinc/43/00/33/712430033.db2.gz MASLIUIWJNKMAR-NWDGAFQWSA-N 2 2 224.348 1.511 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc3ncccc3c2)C1 ZINC000616612085 349484435 /nfs/dbraw/zinc/48/44/35/349484435.db2.gz LWZGGNULFVXMKL-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc3ncccc3c2)C1 ZINC000616612085 349484439 /nfs/dbraw/zinc/48/44/39/349484439.db2.gz LWZGGNULFVXMKL-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C2)c(C)n1C ZINC000052790448 178033755 /nfs/dbraw/zinc/03/37/55/178033755.db2.gz GBTJWYPKRDPXRS-CYBMUJFWSA-N 2 2 221.348 1.436 10 0 BDAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c(C)n1C ZINC000052790448 178033757 /nfs/dbraw/zinc/03/37/57/178033757.db2.gz GBTJWYPKRDPXRS-CYBMUJFWSA-N 2 2 221.348 1.436 10 0 BDAELP C(COCC1CCCC1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000313281132 398185004 /nfs/dbraw/zinc/18/50/04/398185004.db2.gz KQGLWKYBSVPJLB-GFCCVEGCSA-N 2 2 212.337 1.145 10 0 BDAELP Cc1cc(N2CCC[C@H]2C[NH2+]C2CC2)nc[nH+]1 ZINC000053695174 178116089 /nfs/dbraw/zinc/11/60/89/178116089.db2.gz AKGLRESEMUZAHX-LBPRGKRZSA-N 2 2 232.331 1.506 10 0 BDAELP Cc1cc([C@H]([NH3+])Cn2cc[nH+]c2)cs1 ZINC000306642894 361774438 /nfs/dbraw/zinc/77/44/38/361774438.db2.gz VEGRTMDTOLAUGB-SNVBAGLBSA-N 2 2 207.302 1.953 10 0 BDAELP Cc1cc2[nH+]cn([C@H]3C[NH2+]C[C@H]3O)c2cc1C ZINC000104253792 178306274 /nfs/dbraw/zinc/30/62/74/178306274.db2.gz HLUYWWGNOZFOCE-QWHCGFSZSA-N 2 2 231.299 1.158 10 0 BDAELP Cc1ccc(-n2c[nH+]cc2CC[NH3+])c(C)c1 ZINC000076645064 178347467 /nfs/dbraw/zinc/34/74/67/178347467.db2.gz UWUBVAOWWWDILD-UHFFFAOYSA-N 2 2 215.300 1.990 10 0 BDAELP CCC[C@@H](C[NH2+][C@H]1CCC[N@H+](CC)C1)OC ZINC000386006079 398262987 /nfs/dbraw/zinc/26/29/87/398262987.db2.gz LPQUKBBERZZFPP-STQMWFEESA-N 2 2 228.380 1.875 10 0 BDAELP CCC[C@@H](C[NH2+][C@H]1CCC[N@@H+](CC)C1)OC ZINC000386006079 398262993 /nfs/dbraw/zinc/26/29/93/398262993.db2.gz LPQUKBBERZZFPP-STQMWFEESA-N 2 2 228.380 1.875 10 0 BDAELP CCC(CC)[N@H+](CC[NH3+])[C@H](C)C(=O)NC(C)C ZINC000104318486 168372425 /nfs/dbraw/zinc/37/24/25/168372425.db2.gz SQZUWRLDETYVMA-LLVKDONJSA-N 2 2 243.395 1.349 10 0 BDAELP CCC(CC)[N@@H+](CC[NH3+])[C@H](C)C(=O)NC(C)C ZINC000104318486 168372427 /nfs/dbraw/zinc/37/24/27/168372427.db2.gz SQZUWRLDETYVMA-LLVKDONJSA-N 2 2 243.395 1.349 10 0 BDAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1(F)CC1 ZINC000306657058 361867140 /nfs/dbraw/zinc/86/71/40/361867140.db2.gz HRFLBYWLAYPEML-UWVGGRQHSA-N 2 2 200.301 1.690 10 0 BDAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000306657058 361867148 /nfs/dbraw/zinc/86/71/48/361867148.db2.gz HRFLBYWLAYPEML-UWVGGRQHSA-N 2 2 200.301 1.690 10 0 BDAELP COC[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1 ZINC000147794144 342780690 /nfs/dbraw/zinc/78/06/90/342780690.db2.gz GXAHRMNGXAVWRS-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP COC[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1 ZINC000147794144 342780691 /nfs/dbraw/zinc/78/06/91/342780691.db2.gz GXAHRMNGXAVWRS-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cocn2)c[nH+]1 ZINC000191976478 538994050 /nfs/dbraw/zinc/99/40/50/538994050.db2.gz KORNAGSXIGDZBZ-GFCCVEGCSA-N 2 2 232.287 1.536 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cocn2)c[nH+]1 ZINC000191976478 538994052 /nfs/dbraw/zinc/99/40/52/538994052.db2.gz KORNAGSXIGDZBZ-GFCCVEGCSA-N 2 2 232.287 1.536 10 0 BDAELP CCOC1CC([NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000381458992 539001177 /nfs/dbraw/zinc/00/11/77/539001177.db2.gz KJKZNWBUFWMUOD-YWPUVAFDSA-N 2 2 226.364 1.484 10 0 BDAELP CCOC1CC([NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000381458992 539001179 /nfs/dbraw/zinc/00/11/79/539001179.db2.gz KJKZNWBUFWMUOD-YWPUVAFDSA-N 2 2 226.364 1.484 10 0 BDAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccc2c(c1)OCCO2 ZINC000038809160 342879173 /nfs/dbraw/zinc/87/91/73/342879173.db2.gz CBAVEHWFULWVRR-NSHDSACASA-N 2 2 245.282 1.354 10 0 BDAELP C[N@H+]1CC=C(c2c[nH]c3c[nH+]c(N)cc32)CC1 ZINC000036439347 343000032 /nfs/dbraw/zinc/00/00/32/343000032.db2.gz KFCTWFLGFHTUAD-UHFFFAOYSA-N 2 2 228.299 1.864 10 0 BDAELP C[N@@H+]1CC=C(c2c[nH]c3c[nH+]c(N)cc32)CC1 ZINC000036439347 343000033 /nfs/dbraw/zinc/00/00/33/343000033.db2.gz KFCTWFLGFHTUAD-UHFFFAOYSA-N 2 2 228.299 1.864 10 0 BDAELP COc1ccccc1C[NH2+]CCc1c[nH]c[nH+]1 ZINC000045946240 343013172 /nfs/dbraw/zinc/01/31/72/343013172.db2.gz HRSOVXPHLYLAGS-UHFFFAOYSA-N 2 2 231.299 1.751 10 0 BDAELP COc1ccccc1C[NH2+]CCc1c[nH+]c[nH]1 ZINC000045946240 343013174 /nfs/dbraw/zinc/01/31/74/343013174.db2.gz HRSOVXPHLYLAGS-UHFFFAOYSA-N 2 2 231.299 1.751 10 0 BDAELP CCc1cnc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400513637 529653138 /nfs/dbraw/zinc/65/31/38/529653138.db2.gz GBCGTUMWZPFNTD-UWVGGRQHSA-N 2 2 239.388 1.793 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1COC1 ZINC000082487865 136276792 /nfs/dbraw/zinc/27/67/92/136276792.db2.gz OGOORIDIVGKPKV-LLVKDONJSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1COC1 ZINC000082487865 136276793 /nfs/dbraw/zinc/27/67/93/136276793.db2.gz OGOORIDIVGKPKV-LLVKDONJSA-N 2 2 212.337 1.239 10 0 BDAELP CC(C)[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712057620 537783945 /nfs/dbraw/zinc/78/39/45/537783945.db2.gz DGLMUHSHIYHHNV-ZDUSSCGKSA-N 3 2 237.391 1.425 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cccc(F)c1C(F)(F)F ZINC000072201044 343796811 /nfs/dbraw/zinc/79/68/11/343796811.db2.gz BCYAMRKRPMCLAP-ZETCQYMHSA-N 2 2 222.185 1.803 10 0 BDAELP CCOC[C@@H]1C[N@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409425904 343820944 /nfs/dbraw/zinc/82/09/44/343820944.db2.gz BEHBLPCGCMVSIZ-IUCAKERBSA-N 2 2 240.269 1.092 10 0 BDAELP CCOC[C@@H]1C[N@@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409425904 343820946 /nfs/dbraw/zinc/82/09/46/343820946.db2.gz BEHBLPCGCMVSIZ-IUCAKERBSA-N 2 2 240.269 1.092 10 0 BDAELP Cc1[nH+]c(CN2CC[NH2+]CC2)c2c(F)cccn12 ZINC000409442137 343857368 /nfs/dbraw/zinc/85/73/68/343857368.db2.gz TURDTNFYIFOZNP-UHFFFAOYSA-N 2 2 248.305 1.187 10 0 BDAELP COC[C@H]1C[N@H+](CC(=[NH2+])NO)CC12CCCC2 ZINC000409433675 343829730 /nfs/dbraw/zinc/82/97/30/343829730.db2.gz NDWOQBGGXLJXLT-SNVBAGLBSA-N 2 2 241.335 1.081 10 0 BDAELP COC[C@H]1C[N@@H+](CC(=[NH2+])NO)CC12CCCC2 ZINC000409433675 343829731 /nfs/dbraw/zinc/82/97/31/343829731.db2.gz NDWOQBGGXLJXLT-SNVBAGLBSA-N 2 2 241.335 1.081 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(F)cc1Cl ZINC000234425713 343965811 /nfs/dbraw/zinc/96/58/11/343965811.db2.gz GZUYGYHAUMQMEP-VIFPVBQESA-N 2 2 202.660 1.698 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1CCSC(C)(C)C1 ZINC000135213902 343968728 /nfs/dbraw/zinc/96/87/28/343968728.db2.gz KNRNFZLUDJCYCG-ZETCQYMHSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1CCSC(C)(C)C1 ZINC000135213902 343968729 /nfs/dbraw/zinc/96/87/29/343968729.db2.gz KNRNFZLUDJCYCG-ZETCQYMHSA-N 2 2 201.339 1.138 10 0 BDAELP C[N@@H+](Cc1ncc[nH]1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328649890 537838549 /nfs/dbraw/zinc/83/85/49/537838549.db2.gz VIERWYLLUFKTQW-NSHDSACASA-N 2 2 245.330 1.301 10 0 BDAELP C[N@H+](Cc1ncc[nH]1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328649890 537838563 /nfs/dbraw/zinc/83/85/63/537838563.db2.gz VIERWYLLUFKTQW-NSHDSACASA-N 2 2 245.330 1.301 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC1=CCCOC1 ZINC000127043953 344187036 /nfs/dbraw/zinc/18/70/36/344187036.db2.gz QVGQHQJKUQELBF-CQSZACIVSA-N 2 2 240.391 1.899 10 0 BDAELP CC(C)[N@@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616596511 344421307 /nfs/dbraw/zinc/42/13/07/344421307.db2.gz YKOQBJQFJRPOIZ-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)[N@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616596511 344421311 /nfs/dbraw/zinc/42/13/11/344421311.db2.gz YKOQBJQFJRPOIZ-GFCCVEGCSA-N 2 2 235.331 1.836 10 0 BDAELP CCSCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600886928 344386304 /nfs/dbraw/zinc/38/63/04/344386304.db2.gz UPXORAGGYDOBHP-WDEREUQCSA-N 2 2 232.393 1.178 10 0 BDAELP CCSCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000600886928 344386306 /nfs/dbraw/zinc/38/63/06/344386306.db2.gz UPXORAGGYDOBHP-WDEREUQCSA-N 2 2 232.393 1.178 10 0 BDAELP Cc1[nH]c(CN2CC[N@@H+]3CCC[C@@H]3C2)[nH+]c1C ZINC000628167317 344877700 /nfs/dbraw/zinc/87/77/00/344877700.db2.gz KVKPIPKRCSCXFK-GFCCVEGCSA-N 2 2 234.347 1.307 10 0 BDAELP Cc1[nH]c(CN2CC[N@H+]3CCC[C@@H]3C2)[nH+]c1C ZINC000628167317 344877704 /nfs/dbraw/zinc/87/77/04/344877704.db2.gz KVKPIPKRCSCXFK-GFCCVEGCSA-N 2 2 234.347 1.307 10 0 BDAELP [NH3+][C@H](Cn1cc[nH+]c1)c1ccc(O)cc1 ZINC000011848844 345031300 /nfs/dbraw/zinc/03/13/00/345031300.db2.gz NXDNPWVEDFFOKB-LLVKDONJSA-N 2 2 203.245 1.289 10 0 BDAELP CC(C)c1nc(N[C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000212411863 345734017 /nfs/dbraw/zinc/73/40/17/345734017.db2.gz SIIFHAFRJZJWLB-JTQLQIEISA-N 2 2 220.320 1.764 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CC[NH2+]C2)O1 ZINC000669371692 537949066 /nfs/dbraw/zinc/94/90/66/537949066.db2.gz QEFGLKSVHNKOKI-UKRRQHHQSA-N 2 2 246.354 1.639 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CC[NH2+]C2)O1 ZINC000669371692 537949069 /nfs/dbraw/zinc/94/90/69/537949069.db2.gz QEFGLKSVHNKOKI-UKRRQHHQSA-N 2 2 246.354 1.639 10 0 BDAELP C[NH2+][C@H](C)[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061917325 346180123 /nfs/dbraw/zinc/18/01/23/346180123.db2.gz XYTDBFGQTNJVBH-MXWKQRLJSA-N 2 2 200.326 1.094 10 0 BDAELP C[NH2+][C@H](C)[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061917325 346180126 /nfs/dbraw/zinc/18/01/26/346180126.db2.gz XYTDBFGQTNJVBH-MXWKQRLJSA-N 2 2 200.326 1.094 10 0 BDAELP Cc1cccc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000057939517 179056878 /nfs/dbraw/zinc/05/68/78/179056878.db2.gz LFJALKOIEABECH-CQSZACIVSA-N 2 2 218.344 1.961 10 0 BDAELP Cc1cccc(CC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000057939517 179056880 /nfs/dbraw/zinc/05/68/80/179056880.db2.gz LFJALKOIEABECH-CQSZACIVSA-N 2 2 218.344 1.961 10 0 BDAELP [NH3+]C[C@H]1C[NH2+]C[C@@H](C[NH+]2CCCCCC2)C1 ZINC000669378992 537973020 /nfs/dbraw/zinc/97/30/20/537973020.db2.gz RQQFAFSFTIVENT-STQMWFEESA-N 3 2 225.380 1.047 10 0 BDAELP Cc1cccc(NC(=O)C[N@@H+](C)C[C@H](C)C[NH3+])c1 ZINC000042455919 179127808 /nfs/dbraw/zinc/12/78/08/179127808.db2.gz SNPYNNZXJVJTIY-GFCCVEGCSA-N 2 2 249.358 1.460 10 0 BDAELP Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)C[NH3+])c1 ZINC000042455919 179127810 /nfs/dbraw/zinc/12/78/10/179127810.db2.gz SNPYNNZXJVJTIY-GFCCVEGCSA-N 2 2 249.358 1.460 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[NH+]2CCC(CO)CC2)c1 ZINC000020178964 179184749 /nfs/dbraw/zinc/18/47/49/179184749.db2.gz XRYFYTSSDOAJAO-OAHLLOKOSA-N 2 2 248.370 1.699 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](O)C2)c1 ZINC000042966410 179185496 /nfs/dbraw/zinc/18/54/96/179185496.db2.gz WFDIHJMXMOTTJM-UONOGXRCSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](O)C2)c1 ZINC000042966410 179185498 /nfs/dbraw/zinc/18/54/98/179185498.db2.gz WFDIHJMXMOTTJM-UONOGXRCSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000042966583 179199171 /nfs/dbraw/zinc/19/91/71/179199171.db2.gz STQODJPDBJWHLO-ZFWWWQNUSA-N 2 2 248.370 1.699 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCC[C@H](CO)C2)c1 ZINC000042966583 179199174 /nfs/dbraw/zinc/19/91/74/179199174.db2.gz STQODJPDBJWHLO-ZFWWWQNUSA-N 2 2 248.370 1.699 10 0 BDAELP Cc1cnccc1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396601312 362825749 /nfs/dbraw/zinc/82/57/49/362825749.db2.gz XKDPUVYVURKYHG-YPMHNXCESA-N 2 2 219.332 1.620 10 0 BDAELP C[NH2+][C@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000250781215 362821004 /nfs/dbraw/zinc/82/10/04/362821004.db2.gz XYJOZXAYBIBOIM-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@H]1CCC[N@H+]([C@H]2CCSC2)C1 ZINC000250781215 362821011 /nfs/dbraw/zinc/82/10/11/362821011.db2.gz XYJOZXAYBIBOIM-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[N@H+](CC[C@H]1CCC1=O)C1CC[NH+](C)CC1 ZINC000669381703 537995827 /nfs/dbraw/zinc/99/58/27/537995827.db2.gz SHYXIQHJKJWLAE-LLVKDONJSA-N 2 2 224.348 1.382 10 0 BDAELP C[N@@H+](CC[C@H]1CCC1=O)C1CC[NH+](C)CC1 ZINC000669381703 537995831 /nfs/dbraw/zinc/99/58/31/537995831.db2.gz SHYXIQHJKJWLAE-LLVKDONJSA-N 2 2 224.348 1.382 10 0 BDAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+]1CCC[C@H](O)C1 ZINC000043035267 179347751 /nfs/dbraw/zinc/34/77/51/179347751.db2.gz DKIWLJSPBDFUAQ-YDHLFZDLSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+]1CCC[C@H](O)C1 ZINC000043035267 179347752 /nfs/dbraw/zinc/34/77/52/179347752.db2.gz DKIWLJSPBDFUAQ-YDHLFZDLSA-N 2 2 248.370 1.840 10 0 BDAELP CCC(CC)[NH2+]C[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669382432 537997277 /nfs/dbraw/zinc/99/72/77/537997277.db2.gz LHIKJHGGSUREJF-JTQLQIEISA-N 2 2 236.306 1.124 10 0 BDAELP CC[N@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382251099 349331515 /nfs/dbraw/zinc/33/15/15/349331515.db2.gz VCKSETJRNAXSRJ-YNEHKIRRSA-N 2 2 226.364 1.079 10 0 BDAELP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382251099 349331517 /nfs/dbraw/zinc/33/15/17/349331517.db2.gz VCKSETJRNAXSRJ-YNEHKIRRSA-N 2 2 226.364 1.079 10 0 BDAELP Cc1[nH+]c2ccccc2n1C[C@H](C)C[NH3+] ZINC000036677788 180103255 /nfs/dbraw/zinc/10/32/55/180103255.db2.gz WKURPJVRQINEER-SECBINFHSA-N 2 2 203.289 1.940 10 0 BDAELP Cc1[nH+]c2ccccc2n1C[C@@H](O)C[NH2+]C(C)C ZINC000036950735 180103453 /nfs/dbraw/zinc/10/34/53/180103453.db2.gz BVUXXBJSGNLYNE-LBPRGKRZSA-N 2 2 247.342 1.704 10 0 BDAELP Cc1nc(N2CCC[C@H]2C[NH2+]C2CC2)cc[nH+]1 ZINC000054937571 180193543 /nfs/dbraw/zinc/19/35/43/180193543.db2.gz KWAYLLWADQSLGE-LBPRGKRZSA-N 2 2 232.331 1.506 10 0 BDAELP CCOC1CC([NH2+][C@@H]2CCC[N@H+](CC)C2)C1 ZINC000162845296 350443595 /nfs/dbraw/zinc/44/35/95/350443595.db2.gz PSHKDPODQNWGDJ-PNESKVBLSA-N 2 2 226.364 1.628 10 0 BDAELP CCOC1CC([NH2+][C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000162845296 350443597 /nfs/dbraw/zinc/44/35/97/350443597.db2.gz PSHKDPODQNWGDJ-PNESKVBLSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616593888 350585133 /nfs/dbraw/zinc/58/51/33/350585133.db2.gz MTHIDYBIJOJTLB-LLVKDONJSA-N 2 2 221.304 1.447 10 0 BDAELP CC[N@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616593888 350585134 /nfs/dbraw/zinc/58/51/34/350585134.db2.gz MTHIDYBIJOJTLB-LLVKDONJSA-N 2 2 221.304 1.447 10 0 BDAELP CNc1cccc([C@H]2CC[N@H+](CC[NH3+])CCO2)c1 ZINC000616596263 350632745 /nfs/dbraw/zinc/63/27/45/350632745.db2.gz USWRZXJTSXCBFQ-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1cccc([C@H]2CC[N@@H+](CC[NH3+])CCO2)c1 ZINC000616596263 350632748 /nfs/dbraw/zinc/63/27/48/350632748.db2.gz USWRZXJTSXCBFQ-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccncn2)CC1 ZINC000616600228 350779701 /nfs/dbraw/zinc/77/97/01/350779701.db2.gz AMFYACKNPRAJCN-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccncn2)CC1 ZINC000616600228 350779704 /nfs/dbraw/zinc/77/97/04/350779704.db2.gz AMFYACKNPRAJCN-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP CC(=O)Nc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616606978 350799163 /nfs/dbraw/zinc/79/91/63/350799163.db2.gz ALLSKWTVPIXYOO-AWEZNQCLSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616606978 350799170 /nfs/dbraw/zinc/79/91/70/350799170.db2.gz ALLSKWTVPIXYOO-AWEZNQCLSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1cccc([C@@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616607062 350799629 /nfs/dbraw/zinc/79/96/29/350799629.db2.gz DLBGSHRVGURUFA-AWEZNQCLSA-N 2 2 247.342 1.741 10 0 BDAELP CC(=O)Nc1cccc([C@@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616607062 350799630 /nfs/dbraw/zinc/79/96/30/350799630.db2.gz DLBGSHRVGURUFA-AWEZNQCLSA-N 2 2 247.342 1.741 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc2nnccc2c1 ZINC000616608225 350803431 /nfs/dbraw/zinc/80/34/31/350803431.db2.gz NHCOJFGAOJWUKG-CQSZACIVSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc2nnccc2c1 ZINC000616608225 350803434 /nfs/dbraw/zinc/80/34/34/350803434.db2.gz NHCOJFGAOJWUKG-CQSZACIVSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccccc1CCO ZINC000616615765 350850564 /nfs/dbraw/zinc/85/05/64/350850564.db2.gz AURLCNXMEAIKQO-HNNXBMFYSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccccc1CCO ZINC000616615765 350850568 /nfs/dbraw/zinc/85/05/68/350850568.db2.gz AURLCNXMEAIKQO-HNNXBMFYSA-N 2 2 248.370 1.707 10 0 BDAELP CNc1cccc(C2CC[NH+](CC[NH3+])CC2)c1 ZINC000616619630 350927567 /nfs/dbraw/zinc/92/75/67/350927567.db2.gz POJTZPPVMRHIEN-UHFFFAOYSA-N 2 2 233.359 1.866 10 0 BDAELP CCOC[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1 ZINC000230067386 350997538 /nfs/dbraw/zinc/99/75/38/350997538.db2.gz NDYUIKQPMSSPKQ-CYBMUJFWSA-N 2 2 222.332 1.530 10 0 BDAELP CC[N@H+](C)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000306769791 350998827 /nfs/dbraw/zinc/99/88/27/350998827.db2.gz AOMBCDICBMZYPE-CYBMUJFWSA-N 2 2 222.332 1.089 10 0 BDAELP CC[N@@H+](C)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000306769791 350998830 /nfs/dbraw/zinc/99/88/30/350998830.db2.gz AOMBCDICBMZYPE-CYBMUJFWSA-N 2 2 222.332 1.089 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc(CCO)c2)C1 ZINC000616621421 351034473 /nfs/dbraw/zinc/03/44/73/351034473.db2.gz SXARQPZQHJXGMG-OAHLLOKOSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc(CCO)c2)C1 ZINC000616621421 351034476 /nfs/dbraw/zinc/03/44/76/351034476.db2.gz SXARQPZQHJXGMG-OAHLLOKOSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ncccn2)CC1 ZINC000616629679 351100682 /nfs/dbraw/zinc/10/06/82/351100682.db2.gz ZHIYOFZPOPXARD-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ncccn2)CC1 ZINC000616629679 351100683 /nfs/dbraw/zinc/10/06/83/351100683.db2.gz ZHIYOFZPOPXARD-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP Nc1ncccc1[C@H]1CCCC[N@H+](CC[NH3+])C1 ZINC000616629851 351101556 /nfs/dbraw/zinc/10/15/56/351101556.db2.gz UZQUOWHWVROPBT-NSHDSACASA-N 2 2 234.347 1.192 10 0 BDAELP Nc1ncccc1[C@H]1CCCC[N@@H+](CC[NH3+])C1 ZINC000616629851 351101557 /nfs/dbraw/zinc/10/15/57/351101557.db2.gz UZQUOWHWVROPBT-NSHDSACASA-N 2 2 234.347 1.192 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccon2)CC1 ZINC000616627120 351107553 /nfs/dbraw/zinc/10/75/53/351107553.db2.gz DELWRCFALOZIHO-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccon2)CC1 ZINC000616627120 351107556 /nfs/dbraw/zinc/10/75/56/351107556.db2.gz DELWRCFALOZIHO-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cnnc2ccccc21 ZINC000616634579 351117183 /nfs/dbraw/zinc/11/71/83/351117183.db2.gz UJKXRAHGBKUNKL-CQSZACIVSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1cnnc2ccccc21 ZINC000616634579 351117184 /nfs/dbraw/zinc/11/71/84/351117184.db2.gz UJKXRAHGBKUNKL-CQSZACIVSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1ccncn1 ZINC000616624706 351092119 /nfs/dbraw/zinc/09/21/19/351092119.db2.gz GRKZXBRIZOWMOH-LBPRGKRZSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1ccncn1 ZINC000616624706 351092121 /nfs/dbraw/zinc/09/21/21/351092121.db2.gz GRKZXBRIZOWMOH-LBPRGKRZSA-N 2 2 220.320 1.352 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccc3ncccc32)C1 ZINC000616625212 351093909 /nfs/dbraw/zinc/09/39/09/351093909.db2.gz GKZNYUAGSVQKDK-GFCCVEGCSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccc3ncccc32)C1 ZINC000616625212 351093911 /nfs/dbraw/zinc/09/39/11/351093911.db2.gz GKZNYUAGSVQKDK-GFCCVEGCSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cocn2)C1 ZINC000616628265 351097515 /nfs/dbraw/zinc/09/75/15/351097515.db2.gz IMOYTFCNYALJSV-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cocn2)C1 ZINC000616628265 351097517 /nfs/dbraw/zinc/09/75/17/351097517.db2.gz IMOYTFCNYALJSV-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP CC[N@@H+]1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616686952 351257672 /nfs/dbraw/zinc/25/76/72/351257672.db2.gz MTHIDYBIJOJTLB-NSHDSACASA-N 2 2 221.304 1.447 10 0 BDAELP CNc1cccc([C@@H]2CC[N@H+](CC[NH3+])CCO2)c1 ZINC000616665711 351223480 /nfs/dbraw/zinc/22/34/80/351223480.db2.gz USWRZXJTSXCBFQ-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1cccc([C@@H]2CC[N@@H+](CC[NH3+])CCO2)c1 ZINC000616665711 351223483 /nfs/dbraw/zinc/22/34/83/351223483.db2.gz USWRZXJTSXCBFQ-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP [NH3+]C[C@H]1CC[C@@H]1[N@@H+]1CCC=C(Br)C1 ZINC000404537163 351498176 /nfs/dbraw/zinc/49/81/76/351498176.db2.gz HIYPDWFSUPBEAB-SCZZXKLOSA-N 2 2 245.164 1.708 10 0 BDAELP [NH3+]C[C@H]1CC[C@@H]1[N@H+]1CCC=C(Br)C1 ZINC000404537163 351498181 /nfs/dbraw/zinc/49/81/81/351498181.db2.gz HIYPDWFSUPBEAB-SCZZXKLOSA-N 2 2 245.164 1.708 10 0 BDAELP C[C@H]([C@H]1CCC[NH2+]1)[NH+]1CCSCC1 ZINC000307187943 351590177 /nfs/dbraw/zinc/59/01/77/351590177.db2.gz WSBGCKYJXZLIOP-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1CC[C@@]2(C[NH2+]1)[NH2+]C(C)(C)CS2 ZINC000307240254 351733355 /nfs/dbraw/zinc/73/33/55/351733355.db2.gz GVSAPYQNFPJWHO-PSASIEDQSA-N 2 2 200.351 1.570 10 0 BDAELP Cn1c(CC(F)(F)F)[nH+]c2c1CC[C@H]([NH3+])C2 ZINC000076125356 187618132 /nfs/dbraw/zinc/61/81/32/187618132.db2.gz LYQWODIGRXYDGJ-LURJTMIESA-N 2 2 233.237 1.341 10 0 BDAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C1CC1)C2 ZINC000165283158 353280099 /nfs/dbraw/zinc/28/00/99/353280099.db2.gz RQBHOOBQDGFPQT-CMPLNLGQSA-N 2 2 219.332 1.894 10 0 BDAELP C[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037925168 188289467 /nfs/dbraw/zinc/28/94/67/188289467.db2.gz PINWBWPFJMMBMI-CQSZACIVSA-N 2 2 246.354 1.963 10 0 BDAELP C[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc2c(c1)CCO2 ZINC000037925168 188289468 /nfs/dbraw/zinc/28/94/68/188289468.db2.gz PINWBWPFJMMBMI-CQSZACIVSA-N 2 2 246.354 1.963 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+](CCc2cccc(C)c2)C1 ZINC000051670326 188299535 /nfs/dbraw/zinc/29/95/35/188299535.db2.gz WWTYDZCJRARFSZ-CQSZACIVSA-N 2 2 218.344 1.831 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+](CCc2cccc(C)c2)C1 ZINC000051670326 188299536 /nfs/dbraw/zinc/29/95/36/188299536.db2.gz WWTYDZCJRARFSZ-CQSZACIVSA-N 2 2 218.344 1.831 10 0 BDAELP C(C1CCOCC1)[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052174698 188299964 /nfs/dbraw/zinc/29/99/64/188299964.db2.gz HXXHVQNLPHCPOY-KBPBESRZSA-N 2 2 238.375 1.629 10 0 BDAELP C(C1CCOCC1)[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000052174698 188299966 /nfs/dbraw/zinc/29/99/66/188299966.db2.gz HXXHVQNLPHCPOY-KBPBESRZSA-N 2 2 238.375 1.629 10 0 BDAELP CC(C)[N@H+](C)CCn1c[nH+]c2cc(N)ccc21 ZINC000054134027 188300051 /nfs/dbraw/zinc/30/00/51/188300051.db2.gz KKAFOSLDBSFKNC-UHFFFAOYSA-N 2 2 232.331 1.959 10 0 BDAELP CC(C)[N@@H+](C)CCn1c[nH+]c2cc(N)ccc21 ZINC000054134027 188300052 /nfs/dbraw/zinc/30/00/52/188300052.db2.gz KKAFOSLDBSFKNC-UHFFFAOYSA-N 2 2 232.331 1.959 10 0 BDAELP CN1CCC[C@@H]([N@H+](C)Cc2ccc(C[NH3+])o2)C1 ZINC000053249420 188300438 /nfs/dbraw/zinc/30/04/38/188300438.db2.gz LSLVSDSTZKTAII-LLVKDONJSA-N 2 2 237.347 1.264 10 0 BDAELP CN1CCC[C@@H]([N@@H+](C)Cc2ccc(C[NH3+])o2)C1 ZINC000053249420 188300439 /nfs/dbraw/zinc/30/04/39/188300439.db2.gz LSLVSDSTZKTAII-LLVKDONJSA-N 2 2 237.347 1.264 10 0 BDAELP CC1=CC[N@H+](C[C@H]2CSCC[NH2+]2)CC1 ZINC000166160267 355308444 /nfs/dbraw/zinc/30/84/44/355308444.db2.gz WTMKCCDTUPFCBI-NSHDSACASA-N 2 2 212.362 1.343 10 0 BDAELP CC1=CC[N@@H+](C[C@H]2CSCC[NH2+]2)CC1 ZINC000166160267 355308451 /nfs/dbraw/zinc/30/84/51/355308451.db2.gz WTMKCCDTUPFCBI-NSHDSACASA-N 2 2 212.362 1.343 10 0 BDAELP NC(=[NH2+])c1c(F)cccc1-n1cc[nH+]c1 ZINC000062565983 181192435 /nfs/dbraw/zinc/19/24/35/181192435.db2.gz QLBHQYVOMMJTNS-UHFFFAOYSA-N 2 2 204.208 1.295 10 0 BDAELP NC(=[NH2+])c1ccc(OCCCn2cc[nH+]c2)cc1 ZINC000049328304 181195011 /nfs/dbraw/zinc/19/50/11/181195011.db2.gz NAYAWAFQUHYNTH-UHFFFAOYSA-N 2 2 244.298 1.636 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000335830024 355556346 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CCc1cccc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 ZINC000675079473 538518843 /nfs/dbraw/zinc/51/88/43/538518843.db2.gz ZKPCNVOVXJRWEQ-ZDUSSCGKSA-N 2 2 202.301 1.563 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000389531889 356970719 /nfs/dbraw/zinc/97/07/19/356970719.db2.gz IPCTYCPTZOLLDK-GFCCVEGCSA-N 2 2 207.321 1.209 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000389531889 356970723 /nfs/dbraw/zinc/97/07/23/356970723.db2.gz IPCTYCPTZOLLDK-GFCCVEGCSA-N 2 2 207.321 1.209 10 0 BDAELP Cc1nc(N[C@H]2C[NH2+]CC[C@H]2C)cc[nH+]1 ZINC000389734548 357021127 /nfs/dbraw/zinc/02/11/27/357021127.db2.gz SUKGDDCRZXDPJI-SCZZXKLOSA-N 2 2 206.293 1.195 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@@H+]1C ZINC000130073446 357177474 /nfs/dbraw/zinc/17/74/74/357177474.db2.gz VNXXBSCOBQSFPZ-KOLCDFICSA-N 2 2 210.346 1.930 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)C[N@H+]1C ZINC000130073446 357177479 /nfs/dbraw/zinc/17/74/79/357177479.db2.gz VNXXBSCOBQSFPZ-KOLCDFICSA-N 2 2 210.346 1.930 10 0 BDAELP C[N@@H+]1CCSC[C@H]1[C@H]([NH3+])C1CCC1 ZINC000300053998 357180786 /nfs/dbraw/zinc/18/07/86/357180786.db2.gz UXYVDAJLMOUQBI-VHSXEESVSA-N 2 2 200.351 1.161 10 0 BDAELP C[N@H+]1CCSC[C@H]1[C@H]([NH3+])C1CCC1 ZINC000300053998 357180790 /nfs/dbraw/zinc/18/07/90/357180790.db2.gz UXYVDAJLMOUQBI-VHSXEESVSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948453 538891360 /nfs/dbraw/zinc/89/13/60/538891360.db2.gz OJWCJXJMDGOCAI-VWYCJHECSA-N 2 2 200.301 1.561 10 0 BDAELP C[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948453 538891363 /nfs/dbraw/zinc/89/13/63/538891363.db2.gz OJWCJXJMDGOCAI-VWYCJHECSA-N 2 2 200.301 1.561 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC(O)CC1 ZINC000232638423 357669475 /nfs/dbraw/zinc/66/94/75/357669475.db2.gz JSCFUIPOAJYRNO-ROKHWSDSSA-N 2 2 242.407 1.856 10 0 BDAELP Nc1cccc(C2=CC[C@@]3(C[C@H]3[NH3+])CC2)[nH+]1 ZINC000685950791 538894280 /nfs/dbraw/zinc/89/42/80/538894280.db2.gz ZDSOYLCFSNJZPT-YPMHNXCESA-N 2 2 215.300 1.949 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CCCO ZINC000052762398 358792619 /nfs/dbraw/zinc/79/26/19/358792619.db2.gz JMNYTPRFCRUENL-ZDUSSCGKSA-N 2 2 237.347 1.428 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CCCO ZINC000052762398 358792621 /nfs/dbraw/zinc/79/26/21/358792621.db2.gz JMNYTPRFCRUENL-ZDUSSCGKSA-N 2 2 237.347 1.428 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000246888177 359173256 /nfs/dbraw/zinc/17/32/56/359173256.db2.gz DYHYTVFSNWLSQG-ZIAGYGMSSA-N 2 2 249.358 1.835 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H]1CCCO1 ZINC000246888177 359173257 /nfs/dbraw/zinc/17/32/57/359173257.db2.gz DYHYTVFSNWLSQG-ZIAGYGMSSA-N 2 2 249.358 1.835 10 0 BDAELP COC[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247525720 359229726 /nfs/dbraw/zinc/22/97/26/359229726.db2.gz NTYGPMWYHUHKJH-OLZOCXBDSA-N 2 2 249.358 1.850 10 0 BDAELP COC[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247525720 359229732 /nfs/dbraw/zinc/22/97/32/359229732.db2.gz NTYGPMWYHUHKJH-OLZOCXBDSA-N 2 2 249.358 1.850 10 0 BDAELP COC[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247525725 359231869 /nfs/dbraw/zinc/23/18/69/359231869.db2.gz NTYGPMWYHUHKJH-STQMWFEESA-N 2 2 249.358 1.850 10 0 BDAELP COC[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247525725 359231870 /nfs/dbraw/zinc/23/18/70/359231870.db2.gz NTYGPMWYHUHKJH-STQMWFEESA-N 2 2 249.358 1.850 10 0 BDAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cscn1 ZINC000306206078 359295496 /nfs/dbraw/zinc/29/54/96/359295496.db2.gz PKXRWRKVZBPPGS-SCZZXKLOSA-N 2 2 211.334 1.231 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCC([NH3+])CC1 ZINC000094085906 360295073 /nfs/dbraw/zinc/29/50/73/360295073.db2.gz ZXAINMHJGDTPSN-JXQTWKCFSA-N 3 2 241.423 1.822 10 0 BDAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CCSC[C@@H]1C ZINC000069761055 360409038 /nfs/dbraw/zinc/40/90/38/360409038.db2.gz FGWBPIZKBJROKJ-JGVFFNPUSA-N 2 2 201.339 1.138 10 0 BDAELP CC[C@H](C(N)=[NH2+])[N@H+]1CCSC[C@@H]1C ZINC000069761055 360409039 /nfs/dbraw/zinc/40/90/39/360409039.db2.gz FGWBPIZKBJROKJ-JGVFFNPUSA-N 2 2 201.339 1.138 10 0 BDAELP CC[C@@H]1CS[C@@](C)([C@@H]2CCC[NH2+]2)[NH2+]1 ZINC000306580293 360470578 /nfs/dbraw/zinc/47/05/78/360470578.db2.gz OHPYRPYSVNIQET-UTLUCORTSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@H]1CCC[N@H+](C2CSC2)[C@H]1C[NH3+] ZINC000306577598 360466082 /nfs/dbraw/zinc/46/60/82/360466082.db2.gz LKWGWQOOUGDPCS-WPRPVWTQSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1CCC[N@@H+](C2CSC2)[C@H]1C[NH3+] ZINC000306577598 360466086 /nfs/dbraw/zinc/46/60/86/360466086.db2.gz LKWGWQOOUGDPCS-WPRPVWTQSA-N 2 2 200.351 1.161 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccncc2)[C@](C)(C[NH3+])C1 ZINC000630367287 364084416 /nfs/dbraw/zinc/08/44/16/364084416.db2.gz NNAWHQBXHHSIPR-OLZOCXBDSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccncc2)[C@](C)(C[NH3+])C1 ZINC000630367287 364084422 /nfs/dbraw/zinc/08/44/22/364084422.db2.gz NNAWHQBXHHSIPR-OLZOCXBDSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccc(C)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361485 364081273 /nfs/dbraw/zinc/08/12/73/364081273.db2.gz MHYGUMIHIJZWLZ-HUUCEWRRSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccc(C)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361485 364081277 /nfs/dbraw/zinc/08/12/77/364081277.db2.gz MHYGUMIHIJZWLZ-HUUCEWRRSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ncccc2C)[C@](C)(C[NH3+])C1 ZINC000630367412 364084977 /nfs/dbraw/zinc/08/49/77/364084977.db2.gz OJNKWHAYSJEYFB-JSGCOSHPSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ncccc2C)[C@](C)(C[NH3+])C1 ZINC000630367412 364084978 /nfs/dbraw/zinc/08/49/78/364084978.db2.gz OJNKWHAYSJEYFB-JSGCOSHPSA-N 2 2 249.358 1.328 10 0 BDAELP [NH3+]CCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000042427824 181371623 /nfs/dbraw/zinc/37/16/23/181371623.db2.gz NSKILRGJWMLKTG-UHFFFAOYSA-N 3 2 236.363 1.334 10 0 BDAELP Cc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)cc1F ZINC000675078128 541390553 /nfs/dbraw/zinc/39/05/53/541390553.db2.gz MSJAZTCWMCFQPE-NSHDSACASA-N 2 2 206.264 1.448 10 0 BDAELP [NH3+]CCC[NH2+]Cc1nc(Cc2ccccc2)no1 ZINC000051355879 181383971 /nfs/dbraw/zinc/38/39/71/181383971.db2.gz ULMQSUKYNWYEPX-UHFFFAOYSA-N 2 2 246.314 1.099 10 0 BDAELP [NH3+]CCCc1[nH]cc(-c2ccccc2)[nH+]1 ZINC000036876245 181387238 /nfs/dbraw/zinc/38/72/38/181387238.db2.gz NWCIXEXLMHENHQ-UHFFFAOYSA-N 2 2 201.273 1.968 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000238583882 181391816 /nfs/dbraw/zinc/39/18/16/181391816.db2.gz NHEIEOZGDIISLY-VIFPVBQESA-N 2 2 211.334 1.281 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000238583882 181391817 /nfs/dbraw/zinc/39/18/17/181391817.db2.gz NHEIEOZGDIISLY-VIFPVBQESA-N 2 2 211.334 1.281 10 0 BDAELP [NH3+]CCNc1[nH+]ccc2cc3c(cc21)OCCO3 ZINC000082766395 181398440 /nfs/dbraw/zinc/39/84/40/181398440.db2.gz YDOZHADWACUERR-UHFFFAOYSA-N 2 2 245.282 1.377 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000576044405 365461064 /nfs/dbraw/zinc/46/10/64/365461064.db2.gz SGBPNIYXXACTFP-WCQGTBRESA-N 2 2 235.331 1.406 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000576044405 365461070 /nfs/dbraw/zinc/46/10/70/365461070.db2.gz SGBPNIYXXACTFP-WCQGTBRESA-N 2 2 235.331 1.406 10 0 BDAELP C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cncs1 ZINC000252775495 368061445 /nfs/dbraw/zinc/06/14/45/368061445.db2.gz XFVRBMMWRQSIIZ-PSASIEDQSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cncs1 ZINC000252775495 368061452 /nfs/dbraw/zinc/06/14/52/368061452.db2.gz XFVRBMMWRQSIIZ-PSASIEDQSA-N 2 2 211.334 1.355 10 0 BDAELP [NH3+]C[C@H]1CSCC[N@@H+]1C1CCCC1 ZINC000215758003 371627105 /nfs/dbraw/zinc/62/71/05/371627105.db2.gz GZYJICFBOWLBKV-JTQLQIEISA-N 2 2 200.351 1.305 10 0 BDAELP [NH3+]C[C@H]1CSCC[N@H+]1C1CCCC1 ZINC000215758003 371627109 /nfs/dbraw/zinc/62/71/09/371627109.db2.gz GZYJICFBOWLBKV-JTQLQIEISA-N 2 2 200.351 1.305 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000132490928 371837902 /nfs/dbraw/zinc/83/79/02/371837902.db2.gz JVDWBMOZCXWAAW-NXEZZACHSA-N 2 2 216.394 1.810 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000132490928 371837907 /nfs/dbraw/zinc/83/79/07/371837907.db2.gz JVDWBMOZCXWAAW-NXEZZACHSA-N 2 2 216.394 1.810 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cscn2)C[C@@H]1C[NH3+] ZINC000631841164 372639168 /nfs/dbraw/zinc/63/91/68/372639168.db2.gz YYNMAWPCQPYAPE-BDAKNGLRSA-N 2 2 211.334 1.170 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cscn2)C[C@@H]1C[NH3+] ZINC000631841164 372639173 /nfs/dbraw/zinc/63/91/73/372639173.db2.gz YYNMAWPCQPYAPE-BDAKNGLRSA-N 2 2 211.334 1.170 10 0 BDAELP CC[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172694162 373049508 /nfs/dbraw/zinc/04/95/08/373049508.db2.gz JAEGODIHOIBTAR-QWHCGFSZSA-N 2 2 240.391 1.970 10 0 BDAELP CC[C@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000172694162 373049515 /nfs/dbraw/zinc/04/95/15/373049515.db2.gz JAEGODIHOIBTAR-QWHCGFSZSA-N 2 2 240.391 1.970 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCSC[C@H]1C ZINC000069762557 373730101 /nfs/dbraw/zinc/73/01/01/373730101.db2.gz UUZPBWDHOHIASN-SECBINFHSA-N 2 2 202.367 1.422 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCSC[C@H]1C ZINC000069762557 373730106 /nfs/dbraw/zinc/73/01/06/373730106.db2.gz UUZPBWDHOHIASN-SECBINFHSA-N 2 2 202.367 1.422 10 0 BDAELP CCC[N@H+](CC(=O)N(C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424546 169093131 /nfs/dbraw/zinc/09/31/31/169093131.db2.gz IXQWWWFUKYURPW-NWDGAFQWSA-N 2 2 241.379 1.057 10 0 BDAELP CCC[N@@H+](CC(=O)N(C)C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000042424546 169093132 /nfs/dbraw/zinc/09/31/32/169093132.db2.gz IXQWWWFUKYURPW-NWDGAFQWSA-N 2 2 241.379 1.057 10 0 BDAELP Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000037168300 183270852 /nfs/dbraw/zinc/27/08/52/183270852.db2.gz QVRUYUXSRXOMEJ-UONOGXRCSA-N 2 2 232.327 1.719 10 0 BDAELP Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]23)cc1 ZINC000037168300 183270854 /nfs/dbraw/zinc/27/08/54/183270854.db2.gz QVRUYUXSRXOMEJ-UONOGXRCSA-N 2 2 232.327 1.719 10 0 BDAELP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000054789581 183349749 /nfs/dbraw/zinc/34/97/49/183349749.db2.gz DRIKNCVKQAFNRB-NSHDSACASA-N 2 2 232.331 1.051 10 0 BDAELP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ncn1 ZINC000054789581 183349752 /nfs/dbraw/zinc/34/97/52/183349752.db2.gz DRIKNCVKQAFNRB-NSHDSACASA-N 2 2 232.331 1.051 10 0 BDAELP CCC[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860293 169211376 /nfs/dbraw/zinc/21/13/76/169211376.db2.gz YZTLFHHNRAFDRM-CYBMUJFWSA-N 2 2 204.317 1.782 10 0 BDAELP CCC[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860293 169211377 /nfs/dbraw/zinc/21/13/77/169211377.db2.gz YZTLFHHNRAFDRM-CYBMUJFWSA-N 2 2 204.317 1.782 10 0 BDAELP CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC ZINC000013522137 169257097 /nfs/dbraw/zinc/25/70/97/169257097.db2.gz WKDPBOLUJMSNID-UHFFFAOYSA-N 3 2 215.385 1.355 10 0 BDAELP CCC[NH2+]C[C@@H](C)C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191998 169261408 /nfs/dbraw/zinc/26/14/08/169261408.db2.gz LTDGBCBASPJCNJ-ZIAGYGMSSA-N 3 2 241.423 1.506 10 0 BDAELP CCC[NH2+]C[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191998 169261410 /nfs/dbraw/zinc/26/14/10/169261410.db2.gz LTDGBCBASPJCNJ-ZIAGYGMSSA-N 3 2 241.423 1.506 10 0 BDAELP CCC[NH2+]C[C@@H](C)C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191998 169261411 /nfs/dbraw/zinc/26/14/11/169261411.db2.gz LTDGBCBASPJCNJ-ZIAGYGMSSA-N 3 2 241.423 1.506 10 0 BDAELP CCC[NH2+]C[C@@H](C)C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191998 169261414 /nfs/dbraw/zinc/26/14/14/169261414.db2.gz LTDGBCBASPJCNJ-ZIAGYGMSSA-N 3 2 241.423 1.506 10 0 BDAELP c1ccc(C[N@@H+]2CCCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC000096895528 183399023 /nfs/dbraw/zinc/39/90/23/183399023.db2.gz VMXZRVNKYQIHEU-OAHLLOKOSA-N 2 2 245.370 1.166 10 0 BDAELP c1ccc(C[N@H+]2CCCN3CC[NH2+]C[C@@H]3C2)cc1 ZINC000096895528 183399024 /nfs/dbraw/zinc/39/90/24/183399024.db2.gz VMXZRVNKYQIHEU-OAHLLOKOSA-N 2 2 245.370 1.166 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 ZINC000061918071 169281871 /nfs/dbraw/zinc/28/18/71/169281871.db2.gz HABKTABWWIIDAM-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CCCOCC1 ZINC000061918071 169281874 /nfs/dbraw/zinc/28/18/74/169281874.db2.gz HABKTABWWIIDAM-OLZOCXBDSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[C@@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232187 169383437 /nfs/dbraw/zinc/38/34/37/169383437.db2.gz XNIDUPHHPRTFAG-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP CCC[C@@H](C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232187 169383439 /nfs/dbraw/zinc/38/34/39/169383439.db2.gz XNIDUPHHPRTFAG-JTQLQIEISA-N 2 2 200.326 1.225 10 0 BDAELP [NH3+]C[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000035731269 383868783 /nfs/dbraw/zinc/86/87/83/383868783.db2.gz UJFZYGBICBCQMD-CYBMUJFWSA-N 2 2 220.316 1.061 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1cc(Br)cs1 ZINC000050269942 383991578 /nfs/dbraw/zinc/99/15/78/383991578.db2.gz DLEZIQDWEZIZDC-ZCFIWIBFSA-N 2 2 235.150 1.730 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1F ZINC000050269970 383991807 /nfs/dbraw/zinc/99/18/07/383991807.db2.gz BXFJMZCZXNXLCO-VIFPVBQESA-N 2 2 247.111 1.807 10 0 BDAELP C[NH+](C)Cc1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000050329877 383998695 /nfs/dbraw/zinc/99/86/95/383998695.db2.gz UWOMEEJKQBLETI-ZETCQYMHSA-N 2 2 211.334 1.541 10 0 BDAELP C[NH+](C)CCSc1cccc2[nH+]ccn21 ZINC000089201309 383944457 /nfs/dbraw/zinc/94/44/57/383944457.db2.gz CAQODCQFONTAJF-UHFFFAOYSA-N 2 2 221.329 1.988 10 0 BDAELP CCCCOCC[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048014 384285281 /nfs/dbraw/zinc/28/52/81/384285281.db2.gz GTEAZGCJQKUYOP-WDEREUQCSA-N 2 2 200.326 1.082 10 0 BDAELP CCCCOCC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000300048014 384285283 /nfs/dbraw/zinc/28/52/83/384285283.db2.gz GTEAZGCJQKUYOP-WDEREUQCSA-N 2 2 200.326 1.082 10 0 BDAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1cncs1 ZINC000095072299 384343219 /nfs/dbraw/zinc/34/32/19/384343219.db2.gz LHGLULYPUPRVBK-VHSXEESVSA-N 2 2 211.334 1.503 10 0 BDAELP [NH3+][C@H]1CCCC[C@@H]1[NH2+]CC(=O)c1ccc[nH]1 ZINC000095072252 384344029 /nfs/dbraw/zinc/34/40/29/384344029.db2.gz ACAJSXNPYXYJEC-UWVGGRQHSA-N 2 2 221.304 1.057 10 0 BDAELP [NH3+]CCN1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616672895 384411993 /nfs/dbraw/zinc/41/19/93/384411993.db2.gz POVIRDGAWXCHEZ-GFCCVEGCSA-N 2 2 242.326 1.515 10 0 BDAELP [NH3+]CCN1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616672895 384411996 /nfs/dbraw/zinc/41/19/96/384411996.db2.gz POVIRDGAWXCHEZ-GFCCVEGCSA-N 2 2 242.326 1.515 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cncn1C ZINC000085168931 384508188 /nfs/dbraw/zinc/50/81/88/384508188.db2.gz DTXKSRFYXPSZIY-PWSUYJOCSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cncn1C ZINC000085168931 384508190 /nfs/dbraw/zinc/50/81/90/384508190.db2.gz DTXKSRFYXPSZIY-PWSUYJOCSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCCN(C)[C@@H]1c1c[nH+]cn1C ZINC000085168931 384508193 /nfs/dbraw/zinc/50/81/93/384508193.db2.gz DTXKSRFYXPSZIY-PWSUYJOCSA-N 2 2 222.336 1.022 10 0 BDAELP C[C@](C[NH3+])(c1ccccn1)[NH+]1CCCC1 ZINC000082639920 384512588 /nfs/dbraw/zinc/51/25/88/384512588.db2.gz QSFWIOCFYXNSEA-LBPRGKRZSA-N 2 2 205.305 1.351 10 0 BDAELP C[C@@H]([NH3+])[C@H](C)[NH+]=c1[nH]c2ccccc2[nH]1 ZINC000336097135 384887126 /nfs/dbraw/zinc/88/71/26/384887126.db2.gz SOXJPYCZCCUBAS-SFYZADRCSA-N 2 2 204.277 1.132 10 0 BDAELP C([N@@H+]1CCO[C@@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992581 384895626 /nfs/dbraw/zinc/89/56/26/384895626.db2.gz USLSCUCRKJVHNE-CEUNDQEZSA-N 2 2 236.359 1.382 10 0 BDAELP C([N@H+]1CCO[C@@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992581 384895632 /nfs/dbraw/zinc/89/56/32/384895632.db2.gz USLSCUCRKJVHNE-CEUNDQEZSA-N 2 2 236.359 1.382 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])Cn2c(Br)c[nH+]c21 ZINC000156231121 384896317 /nfs/dbraw/zinc/89/63/17/384896317.db2.gz YYTZYVHNURYVOH-RITPCOANSA-N 2 2 230.109 1.480 10 0 BDAELP COCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368002203 384945151 /nfs/dbraw/zinc/94/51/51/384945151.db2.gz USUQXVLKXAHIOX-UWVGGRQHSA-N 2 2 223.320 1.282 10 0 BDAELP COCC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368002203 384945159 /nfs/dbraw/zinc/94/51/59/384945159.db2.gz USUQXVLKXAHIOX-UWVGGRQHSA-N 2 2 223.320 1.282 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711558 385073743 /nfs/dbraw/zinc/07/37/43/385073743.db2.gz GTXHNPWDYKJJAG-MRVPVSSYSA-N 2 2 204.195 1.323 10 0 BDAELP C[N@H+](Cc1ccns1)[C@H]1CCC[NH2+]CC1 ZINC000404513127 385025845 /nfs/dbraw/zinc/02/58/45/385025845.db2.gz SDQBNWPUAFZQSA-JTQLQIEISA-N 2 2 225.361 1.717 10 0 BDAELP C[N@@H+](Cc1ccns1)[C@H]1CCC[NH2+]CC1 ZINC000404513127 385025850 /nfs/dbraw/zinc/02/58/50/385025850.db2.gz SDQBNWPUAFZQSA-JTQLQIEISA-N 2 2 225.361 1.717 10 0 BDAELP Cc1nc(N2CCC[C@@H]2Cn2cc[nH+]c2)cc[nH+]1 ZINC000176968396 385187216 /nfs/dbraw/zinc/18/72/16/385187216.db2.gz YQNAOTNZGKWLQT-GFCCVEGCSA-N 2 2 243.314 1.651 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCCO1 ZINC000308986717 385331991 /nfs/dbraw/zinc/33/19/91/385331991.db2.gz JYJDLCXNOPMPBB-NOOOWODRSA-N 2 2 212.337 1.094 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCCO1 ZINC000308986717 385331993 /nfs/dbraw/zinc/33/19/93/385331993.db2.gz JYJDLCXNOPMPBB-NOOOWODRSA-N 2 2 212.337 1.094 10 0 BDAELP CCN(CC[NH3+])c1[nH]c2ccccc2[nH+]1 ZINC000165937170 385426252 /nfs/dbraw/zinc/42/62/52/385426252.db2.gz LOUYVZULAQYCHK-UHFFFAOYSA-N 2 2 204.277 1.348 10 0 BDAELP c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]c1 ZINC000309525893 385662885 /nfs/dbraw/zinc/66/28/85/385662885.db2.gz CDTRIYSSPFOIBQ-TXEJJXNPSA-N 2 2 217.316 1.517 10 0 BDAELP C[C@H]([NH3+])c1cccc(C[NH+]2CCOCC2)c1 ZINC000075845051 385690712 /nfs/dbraw/zinc/69/07/12/385690712.db2.gz AWJOEFPHBLIHQW-NSHDSACASA-N 2 2 220.316 1.539 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000307312189 385842535 /nfs/dbraw/zinc/84/25/35/385842535.db2.gz GFXBNDADPAPSSF-NAZIUFLLSA-N 2 2 202.729 1.670 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000307312189 385842537 /nfs/dbraw/zinc/84/25/37/385842537.db2.gz GFXBNDADPAPSSF-NAZIUFLLSA-N 2 2 202.729 1.670 10 0 BDAELP C[C@H]1CC[C@](C[NH3+])([NH+]2CCC2)CS1 ZINC000575535529 385900969 /nfs/dbraw/zinc/90/09/69/385900969.db2.gz WYCBHQGQRKYWKJ-VHSXEESVSA-N 2 2 200.351 1.305 10 0 BDAELP C[C@@]12C[NH2+]C[C@H]1C[N@H+](C/C=C/Cl)C2 ZINC000575559712 386009530 /nfs/dbraw/zinc/00/95/30/386009530.db2.gz WZYHCOVTIWEQTB-AQHVTNBVSA-N 2 2 200.713 1.280 10 0 BDAELP C[C@@]12C[NH2+]C[C@H]1C[N@@H+](C/C=C/Cl)C2 ZINC000575559712 386009536 /nfs/dbraw/zinc/00/95/36/386009536.db2.gz WZYHCOVTIWEQTB-AQHVTNBVSA-N 2 2 200.713 1.280 10 0 BDAELP COC[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC1 ZINC000397228912 386055355 /nfs/dbraw/zinc/05/53/55/386055355.db2.gz DQMNKBRHHDRHPN-USWWRNFRSA-N 2 2 212.337 1.142 10 0 BDAELP C[C@@H]1CCS[C@@]2(CCC[NH2+]CC2)[NH2+]1 ZINC000575577369 387036489 /nfs/dbraw/zinc/03/64/89/387036489.db2.gz XABWOSJVWHCABH-NXEZZACHSA-N 2 2 200.351 1.571 10 0 BDAELP CCC[N@H+](CC)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400400785 387153784 /nfs/dbraw/zinc/15/37/84/387153784.db2.gz PTSFGRLWNBWDJY-CHWSQXEVSA-N 3 2 227.396 1.306 10 0 BDAELP CCC[N@@H+](CC)CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400400785 387153795 /nfs/dbraw/zinc/15/37/95/387153795.db2.gz PTSFGRLWNBWDJY-CHWSQXEVSA-N 3 2 227.396 1.306 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](C)COC)C1 ZINC000248571900 387138956 /nfs/dbraw/zinc/13/89/56/387138956.db2.gz MQVGOUVMEXLWSO-NWDGAFQWSA-N 2 2 214.353 1.343 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](C)COC)C1 ZINC000248571900 387138960 /nfs/dbraw/zinc/13/89/60/387138960.db2.gz MQVGOUVMEXLWSO-NWDGAFQWSA-N 2 2 214.353 1.343 10 0 BDAELP [NH3+][C@@H]1C2CC[NH+](CC2)[C@H]1Cc1cccnc1 ZINC000064539689 387209189 /nfs/dbraw/zinc/20/91/89/387209189.db2.gz ZUCBDKDJRQVFNO-QWHCGFSZSA-N 2 2 217.316 1.046 10 0 BDAELP CC1(C)C[C@]2(CC[NH2+]1)[NH2+]CCCS2 ZINC000575512334 387385654 /nfs/dbraw/zinc/38/56/54/387385654.db2.gz NKGFBRMVLRNOAT-SNVBAGLBSA-N 2 2 200.351 1.571 10 0 BDAELP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422979564 387788736 /nfs/dbraw/zinc/78/87/36/387788736.db2.gz JVGDLZQUFWCTPE-RYUDHWBXSA-N 2 2 220.316 1.405 10 0 BDAELP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Oc1ccccc1 ZINC000422979562 387789607 /nfs/dbraw/zinc/78/96/07/387789607.db2.gz JVGDLZQUFWCTPE-NWDGAFQWSA-N 2 2 220.316 1.405 10 0 BDAELP c1cn(CCN2CC[N@H+]3CCCC[C@H]3C2)c[nH+]1 ZINC000245583951 387964304 /nfs/dbraw/zinc/96/43/04/387964304.db2.gz DGQCSNMIENPFME-ZDUSSCGKSA-N 2 2 234.347 1.053 10 0 BDAELP C[C@H]1Oc2ccccc2C=C1[C@H](C[NH3+])[NH+](C)C ZINC000041166618 388431719 /nfs/dbraw/zinc/43/17/19/388431719.db2.gz NEQZSYHZFHWQLS-MFKMUULPSA-N 2 2 232.327 1.740 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378809451 388509856 /nfs/dbraw/zinc/50/98/56/388509856.db2.gz ZCJDDSCOFCVJTA-MLGHIDQZSA-N 2 2 208.349 1.715 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378809451 388509859 /nfs/dbraw/zinc/50/98/59/388509859.db2.gz ZCJDDSCOFCVJTA-MLGHIDQZSA-N 2 2 208.349 1.715 10 0 BDAELP CO[C@H](C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000379205719 388597921 /nfs/dbraw/zinc/59/79/21/388597921.db2.gz LSGLPAAWMYAWCW-IACUBPJLSA-N 2 2 234.343 1.653 10 0 BDAELP CO[C@H](C[N@H+]1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000379205719 388597924 /nfs/dbraw/zinc/59/79/24/388597924.db2.gz LSGLPAAWMYAWCW-IACUBPJLSA-N 2 2 234.343 1.653 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000153362456 388966912 /nfs/dbraw/zinc/96/69/12/388966912.db2.gz MQVGOUVMEXLWSO-NEPJUHHUSA-N 2 2 214.353 1.343 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000153362456 388966914 /nfs/dbraw/zinc/96/69/14/388966914.db2.gz MQVGOUVMEXLWSO-NEPJUHHUSA-N 2 2 214.353 1.343 10 0 BDAELP [NH3+]C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000045948098 132298815 /nfs/dbraw/zinc/29/88/15/132298815.db2.gz HXMWVNUUIWPTJZ-UHFFFAOYSA-N 2 2 247.346 1.004 10 0 BDAELP [NH3+]C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000045948098 132298817 /nfs/dbraw/zinc/29/88/17/132298817.db2.gz HXMWVNUUIWPTJZ-UHFFFAOYSA-N 2 2 247.346 1.004 10 0 BDAELP C[NH+](C)c1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC000043470490 132353038 /nfs/dbraw/zinc/35/30/38/132353038.db2.gz IZSBJFMYVNGOMR-LLVKDONJSA-N 2 2 219.332 1.680 10 0 BDAELP COC1CCN(c2cc[nH+]c(C[NH3+])c2)CC1 ZINC000051396788 132360464 /nfs/dbraw/zinc/36/04/64/132360464.db2.gz MEJSEXMOVIEGGY-UHFFFAOYSA-N 2 2 221.304 1.156 10 0 BDAELP C[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000071537771 132393785 /nfs/dbraw/zinc/39/37/85/132393785.db2.gz JYACNAKXUKLVEY-VXGBXAGGSA-N 2 2 233.359 1.939 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(C)(C)O ZINC000178324461 134308400 /nfs/dbraw/zinc/30/84/00/134308400.db2.gz KVMOWVIZIRVKBX-GFCCVEGCSA-N 2 2 237.347 1.427 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(C)(C)O ZINC000178324461 134308401 /nfs/dbraw/zinc/30/84/01/134308401.db2.gz KVMOWVIZIRVKBX-GFCCVEGCSA-N 2 2 237.347 1.427 10 0 BDAELP CO[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000182216341 134342895 /nfs/dbraw/zinc/34/28/95/134342895.db2.gz XDRVYJYFKIYJGD-DGCLKSJQSA-N 2 2 237.347 1.691 10 0 BDAELP CO[C@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000182216341 134342896 /nfs/dbraw/zinc/34/28/96/134342896.db2.gz XDRVYJYFKIYJGD-DGCLKSJQSA-N 2 2 237.347 1.691 10 0 BDAELP CC[C@H](COC)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000070656609 135005458 /nfs/dbraw/zinc/00/54/58/135005458.db2.gz LRZZIUWEBDLJHM-CHWSQXEVSA-N 2 2 230.396 1.977 10 0 BDAELP CC(C)CCOCC[NH2+][C@H]1CC[NH2+]C1 ZINC000086729588 135095226 /nfs/dbraw/zinc/09/52/26/135095226.db2.gz NRDVYYAXLDLHCP-NSHDSACASA-N 2 2 200.326 1.001 10 0 BDAELP CC1(C)CN(c2cccc[nH+]2)CC[C@H]1[NH3+] ZINC000261535175 135168893 /nfs/dbraw/zinc/16/88/93/135168893.db2.gz NYRMJCPEYZBLDI-SNVBAGLBSA-N 2 2 205.305 1.645 10 0 BDAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334329585 135354657 /nfs/dbraw/zinc/35/46/57/135354657.db2.gz NTZORDHZSPHTTB-STQMWFEESA-N 2 2 249.358 1.893 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000334983333 135857478 /nfs/dbraw/zinc/85/74/78/135857478.db2.gz HTABOPGIVABDQJ-VXGBXAGGSA-N 2 2 236.363 1.646 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000382169606 397916586 /nfs/dbraw/zinc/91/65/86/397916586.db2.gz VZUAYYYAXUOGEL-VXGBXAGGSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](OC)C2CC2)C1 ZINC000382169606 397916591 /nfs/dbraw/zinc/91/65/91/397916591.db2.gz VZUAYYYAXUOGEL-VXGBXAGGSA-N 2 2 212.337 1.095 10 0 BDAELP CCn1cc[nH+]c1Cn1cc([C@@](C)([NH3+])CC)nn1 ZINC000384140041 398070083 /nfs/dbraw/zinc/07/00/83/398070083.db2.gz DALLJUXHJKVLEJ-LBPRGKRZSA-N 2 2 248.334 1.127 10 0 BDAELP [NH3+]Cc1nc(-n2cc[nH+]c2)ccc1Cl ZINC000051489851 398056241 /nfs/dbraw/zinc/05/62/41/398056241.db2.gz QHKBKYVVQDMVPN-UHFFFAOYSA-N 2 2 208.652 1.379 10 0 BDAELP CC(C)C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128921608 398098238 /nfs/dbraw/zinc/09/82/38/398098238.db2.gz YKSBFQYETXTMBS-ZIAGYGMSSA-N 3 2 241.423 1.694 10 0 BDAELP CC(C)c1nc(N(C)[C@@H](C)C[NH3+])cc[nH+]1 ZINC000107207209 322862068 /nfs/dbraw/zinc/86/20/68/322862068.db2.gz PGVMSGVUPHDXPT-VIFPVBQESA-N 2 2 208.309 1.383 10 0 BDAELP CC[NH2+]CC1CCN(c2[nH+]cccc2OC)CC1 ZINC000128474195 410762986 /nfs/dbraw/zinc/76/29/86/410762986.db2.gz BBBLWRPAJJPSGE-UHFFFAOYSA-N 2 2 249.358 1.916 10 0 BDAELP CC(C)C[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000040408638 167006723 /nfs/dbraw/zinc/00/67/23/167006723.db2.gz YBLNWACMDYYWAR-AWEZNQCLSA-N 2 2 218.344 1.947 10 0 BDAELP CC(C)[NH2+]CCc1[nH]c2ccc(O)cc2[nH+]1 ZINC000074325384 167109937 /nfs/dbraw/zinc/10/99/37/167109937.db2.gz LYJSHQMSYOBKAJ-UHFFFAOYSA-N 2 2 219.288 1.809 10 0 BDAELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000049328144 167394437 /nfs/dbraw/zinc/39/44/37/167394437.db2.gz SVBRNZKRLQXHRS-CYBMUJFWSA-N 3 2 238.379 1.449 10 0 BDAELP CC(C)[C@@H](CN(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000049328144 167394440 /nfs/dbraw/zinc/39/44/40/167394440.db2.gz SVBRNZKRLQXHRS-CYBMUJFWSA-N 2 2 238.379 1.449 10 0 BDAELP COc1ccc(NC2CCC([NH3+])CC2)[nH+]c1 ZINC000212465907 411147299 /nfs/dbraw/zinc/14/72/99/411147299.db2.gz YBQVJSBWIKWXPI-UHFFFAOYSA-N 2 2 221.304 1.772 10 0 BDAELP Cc1cnc(CC[NH2+][C@@H]2CC[NH2+]C2)c(C)c1 ZINC000656201134 411206045 /nfs/dbraw/zinc/20/60/45/411206045.db2.gz SSEYVGGLDRUAHF-GFCCVEGCSA-N 2 2 219.332 1.192 10 0 BDAELP COc1ccc[nH+]c1NCC(F)(F)C[NH3+] ZINC000164934144 411338625 /nfs/dbraw/zinc/33/86/25/411338625.db2.gz IDTMSKZYYYOSPS-UHFFFAOYSA-N 2 2 217.219 1.096 10 0 BDAELP C[C@@H]([NH3+])CC[NH2+]Cc1ncc(Cl)s1 ZINC000414823016 411448868 /nfs/dbraw/zinc/44/88/68/411448868.db2.gz OBLSCONBSQLTNK-ZCFIWIBFSA-N 2 2 219.741 1.623 10 0 BDAELP CC[N@@H+](Cc1ccncc1)C[C@@H]([NH3+])CCOC ZINC000052810878 169925398 /nfs/dbraw/zinc/92/53/98/169925398.db2.gz ZGMSRQIAOAPYCC-ZDUSSCGKSA-N 2 2 237.347 1.267 10 0 BDAELP CC[N@H+](Cc1ccncc1)C[C@@H]([NH3+])CCOC ZINC000052810878 169925399 /nfs/dbraw/zinc/92/53/99/169925399.db2.gz ZGMSRQIAOAPYCC-ZDUSSCGKSA-N 2 2 237.347 1.267 10 0 BDAELP CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000037484457 170016169 /nfs/dbraw/zinc/01/61/69/170016169.db2.gz JCFJIYRPNVXJRY-LLVKDONJSA-N 2 2 205.305 1.835 10 0 BDAELP CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000037484457 170016171 /nfs/dbraw/zinc/01/61/71/170016171.db2.gz JCFJIYRPNVXJRY-LLVKDONJSA-N 2 2 205.305 1.835 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C2CCSCC2)[C@@H](C)C1 ZINC000336773368 170035851 /nfs/dbraw/zinc/03/58/51/170035851.db2.gz YOVWBIYHLOKCJX-JQWIXIFHSA-N 2 2 228.405 1.812 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC)C2)CO1 ZINC000657495655 411535524 /nfs/dbraw/zinc/53/55/24/411535524.db2.gz KOHIGHHOSBJDGG-QJPTWQEYSA-N 2 2 212.337 1.238 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC)C2)CO1 ZINC000657495655 411535526 /nfs/dbraw/zinc/53/55/26/411535526.db2.gz KOHIGHHOSBJDGG-QJPTWQEYSA-N 2 2 212.337 1.238 10 0 BDAELP CC[NH2+]C(C)(C)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061934314 170107685 /nfs/dbraw/zinc/10/76/85/170107685.db2.gz MWMVHEZJVDIHMV-NSHDSACASA-N 2 2 214.353 1.485 10 0 BDAELP CC[NH2+]C(C)(C)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061934314 170107687 /nfs/dbraw/zinc/10/76/87/170107687.db2.gz MWMVHEZJVDIHMV-NSHDSACASA-N 2 2 214.353 1.485 10 0 BDAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+](C)C ZINC000054626570 170109295 /nfs/dbraw/zinc/10/92/95/170109295.db2.gz KNYQWYVRIGVHLT-AGUYFDCRSA-N 3 2 239.407 1.543 10 0 BDAELP CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+](C)C ZINC000054626570 170109297 /nfs/dbraw/zinc/10/92/97/170109297.db2.gz KNYQWYVRIGVHLT-AGUYFDCRSA-N 3 2 239.407 1.543 10 0 BDAELP CC[NH2+]CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000104414622 170111622 /nfs/dbraw/zinc/11/16/22/170111622.db2.gz MGPIIAFRCBJJKK-UHFFFAOYSA-N 3 2 236.363 1.205 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010828 170120416 /nfs/dbraw/zinc/12/04/16/170120416.db2.gz WSHVXFWGUATMMG-ZDUSSCGKSA-N 3 2 241.423 1.506 10 0 BDAELP CC[NH2+]C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010828 170120417 /nfs/dbraw/zinc/12/04/17/170120417.db2.gz WSHVXFWGUATMMG-ZDUSSCGKSA-N 3 2 241.423 1.506 10 0 BDAELP CC[NH2+]C[C@](C)(CC)C[N@H+](C)CCC[NH+](C)C ZINC000104199579 170123702 /nfs/dbraw/zinc/12/37/02/170123702.db2.gz PSWYHPMZIWVGBH-AWEZNQCLSA-N 3 2 243.439 1.896 10 0 BDAELP CC[NH2+]C[C@](C)(CC)C[N@@H+](C)CCC[NH+](C)C ZINC000104199579 170123704 /nfs/dbraw/zinc/12/37/04/170123704.db2.gz PSWYHPMZIWVGBH-AWEZNQCLSA-N 3 2 243.439 1.896 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 ZINC000061918051 170150316 /nfs/dbraw/zinc/15/03/16/170150316.db2.gz RPSMELOLIBSKBX-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CCCOCC1 ZINC000061918051 170150318 /nfs/dbraw/zinc/15/03/18/170150318.db2.gz RPSMELOLIBSKBX-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H](C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061917188 170157132 /nfs/dbraw/zinc/15/71/32/170157132.db2.gz ACECCNFOTYZTEB-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@H](C)C[N@H+]1CCCO[C@H](C)C1 ZINC000061917188 170157134 /nfs/dbraw/zinc/15/71/34/170157134.db2.gz ACECCNFOTYZTEB-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000060720693 170166301 /nfs/dbraw/zinc/16/63/01/170166301.db2.gz OYPXHFVSDOOYBK-STQMWFEESA-N 2 2 226.364 1.487 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1[N@H+](C)C[C@@H]1CCCOC1 ZINC000104194847 170166855 /nfs/dbraw/zinc/16/68/55/170166855.db2.gz JAMZZDIQSVGSMH-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1[N@@H+](C)C[C@@H]1CCCOC1 ZINC000104194847 170166856 /nfs/dbraw/zinc/16/68/56/170166856.db2.gz JAMZZDIQSVGSMH-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP CCOC(=O)C(CC)(CC)[N@@H+]1CCC[NH2+]CC1 ZINC000037959578 170188343 /nfs/dbraw/zinc/18/83/43/170188343.db2.gz DYCJCGXWOOHAGQ-UHFFFAOYSA-N 2 2 242.363 1.404 10 0 BDAELP CCOC(=O)C(CC)(CC)[N@H+]1CCC[NH2+]CC1 ZINC000037959578 170188344 /nfs/dbraw/zinc/18/83/44/170188344.db2.gz DYCJCGXWOOHAGQ-UHFFFAOYSA-N 2 2 242.363 1.404 10 0 BDAELP CC[C@@H]([NH3+])Cc1[nH+]ccn1CCc1ccccn1 ZINC000062803124 170865980 /nfs/dbraw/zinc/86/59/80/170865980.db2.gz OYKNGCBSQXHPCA-GFCCVEGCSA-N 2 2 244.342 1.801 10 0 BDAELP CC[C@@H]1C[N@H+](CC2(C[NH2+]C)CCCC2)CCO1 ZINC000051217040 171076873 /nfs/dbraw/zinc/07/68/73/171076873.db2.gz YOYSRLVWMIXFDB-CYBMUJFWSA-N 2 2 240.391 1.877 10 0 BDAELP CC[C@@H]1C[N@@H+](CC2(C[NH2+]C)CCCC2)CCO1 ZINC000051217040 171076875 /nfs/dbraw/zinc/07/68/75/171076875.db2.gz YOYSRLVWMIXFDB-CYBMUJFWSA-N 2 2 240.391 1.877 10 0 BDAELP CC[C@H](C)N(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037109817 171309170 /nfs/dbraw/zinc/30/91/70/171309170.db2.gz XGSZBKPGQUEYLA-WCQYABFASA-N 2 2 225.380 1.140 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1CCOC(C)(C)C1 ZINC000036232699 171397028 /nfs/dbraw/zinc/39/70/28/171397028.db2.gz NPLJBTRORFUSPC-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1CCOC(C)(C)C1 ZINC000036232699 171397029 /nfs/dbraw/zinc/39/70/29/171397029.db2.gz NPLJBTRORFUSPC-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cscn1 ZINC000665241086 412182871 /nfs/dbraw/zinc/18/28/71/412182871.db2.gz ZMMWVXRLZZCNNO-GUBZILKMSA-N 2 2 225.361 1.792 10 0 BDAELP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@H]1CC[NH2+]C1 ZINC000665241089 412183065 /nfs/dbraw/zinc/18/30/65/412183065.db2.gz ZMMWVXRLZZCNNO-UTLUCORTSA-N 2 2 225.361 1.792 10 0 BDAELP C[C@@H]([NH3+])[C@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000132887889 412344044 /nfs/dbraw/zinc/34/40/44/412344044.db2.gz ZALPXQFBOCFGQK-BXKDBHETSA-N 2 2 246.314 1.115 10 0 BDAELP CCn1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000051360264 172164442 /nfs/dbraw/zinc/16/44/42/172164442.db2.gz AKNVFSIYJUALNZ-UONOGXRCSA-N 2 2 248.374 1.619 10 0 BDAELP CCn1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000051360264 172164444 /nfs/dbraw/zinc/16/44/44/172164444.db2.gz AKNVFSIYJUALNZ-UONOGXRCSA-N 2 2 248.374 1.619 10 0 BDAELP C[N@@H+]1CCCC[C@H]1CC[NH2+]CCn1cc[nH+]c1 ZINC000049857922 173007643 /nfs/dbraw/zinc/00/76/43/173007643.db2.gz OGCBRRFJQJGUNB-ZDUSSCGKSA-N 3 2 236.363 1.347 10 0 BDAELP C[N@H+]1CCCC[C@H]1CC[NH2+]CCn1cc[nH+]c1 ZINC000049857922 173007646 /nfs/dbraw/zinc/00/76/46/173007646.db2.gz OGCBRRFJQJGUNB-ZDUSSCGKSA-N 3 2 236.363 1.347 10 0 BDAELP CN1CCC[N@H+](CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000054027331 173014427 /nfs/dbraw/zinc/01/44/27/173014427.db2.gz SAIRNYFOFVUHDD-LBPRGKRZSA-N 2 2 227.396 1.387 10 0 BDAELP CN1CCC[N@@H+](CC[C@H]([NH3+])C(C)(C)C)CC1 ZINC000054027331 173014431 /nfs/dbraw/zinc/01/44/31/173014431.db2.gz SAIRNYFOFVUHDD-LBPRGKRZSA-N 2 2 227.396 1.387 10 0 BDAELP CN1CC[NH+]([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022313 173094662 /nfs/dbraw/zinc/09/46/62/173094662.db2.gz XAWKIVGUWUDEJV-CYBMUJFWSA-N 2 2 246.358 1.301 10 0 BDAELP C[N@@H+]1CC[C@H](Nc2ccc[nH+]c2N2CCCC2)C1 ZINC000061985051 173155695 /nfs/dbraw/zinc/15/56/95/173155695.db2.gz GYGCKLRSPKJLSE-LBPRGKRZSA-N 2 2 246.358 1.798 10 0 BDAELP C[N@H+]1CC[C@H](Nc2ccc[nH+]c2N2CCCC2)C1 ZINC000061985051 173155698 /nfs/dbraw/zinc/15/56/98/173155698.db2.gz GYGCKLRSPKJLSE-LBPRGKRZSA-N 2 2 246.358 1.798 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934317 173319720 /nfs/dbraw/zinc/31/97/20/173319720.db2.gz AQHCDICTNAJHGN-SNVBAGLBSA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934317 173319721 /nfs/dbraw/zinc/31/97/21/173319721.db2.gz AQHCDICTNAJHGN-SNVBAGLBSA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]C1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000044537337 173323177 /nfs/dbraw/zinc/32/31/77/173323177.db2.gz YHBLXXQVNRXMFF-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]C1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000044537337 173323179 /nfs/dbraw/zinc/32/31/79/173323179.db2.gz YHBLXXQVNRXMFF-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]CCC[NH2+]Cc1ccc(Br)o1 ZINC000083376233 173348920 /nfs/dbraw/zinc/34/89/20/173348920.db2.gz OFJYNNBFCACJTD-UHFFFAOYSA-N 2 2 247.136 1.741 10 0 BDAELP C[NH2+]CCOCCc1ccc2[nH]c[nH+]c2c1 ZINC000077328699 173357145 /nfs/dbraw/zinc/35/71/45/173357145.db2.gz JDPBPIBXIYECMK-UHFFFAOYSA-N 2 2 219.288 1.341 10 0 BDAELP C[NH2+]C[C@@H](c1ccccc1)[N@H+](C)CCCOC ZINC000062036120 173367062 /nfs/dbraw/zinc/36/70/62/173367062.db2.gz GBNIHTJUOMYDCJ-AWEZNQCLSA-N 2 2 236.359 1.915 10 0 BDAELP C[NH2+]C[C@@H](c1ccccc1)[N@@H+](C)CCCOC ZINC000062036120 173367063 /nfs/dbraw/zinc/36/70/63/173367063.db2.gz GBNIHTJUOMYDCJ-AWEZNQCLSA-N 2 2 236.359 1.915 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCCC2=O)C1 ZINC000050158873 173378662 /nfs/dbraw/zinc/37/86/62/173378662.db2.gz UGRQPHDEBWEZCF-GHMZBOCLSA-N 2 2 210.321 1.039 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCCC2=O)C1 ZINC000050158873 173378663 /nfs/dbraw/zinc/37/86/63/173378663.db2.gz UGRQPHDEBWEZCF-GHMZBOCLSA-N 2 2 210.321 1.039 10 0 BDAELP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000062073954 173381530 /nfs/dbraw/zinc/38/15/30/173381530.db2.gz KTQPFAJNBVMPNW-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CCCC2)C1 ZINC000062073954 173381531 /nfs/dbraw/zinc/38/15/31/173381531.db2.gz KTQPFAJNBVMPNW-UONOGXRCSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH2+]Cc1cnc(-n2cc[nH+]c2)c(Cl)c1 ZINC000051490124 173392024 /nfs/dbraw/zinc/39/20/24/173392024.db2.gz FKTBTCMFVIUYFG-UHFFFAOYSA-N 2 2 222.679 1.640 10 0 BDAELP C[NH2+]Cc1coc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000052475974 173393325 /nfs/dbraw/zinc/39/33/25/173393325.db2.gz VETJOOOHAPHGHG-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1coc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000052475974 173393327 /nfs/dbraw/zinc/39/33/27/173393327.db2.gz VETJOOOHAPHGHG-JTQLQIEISA-N 2 2 224.304 1.220 10 0 BDAELP COCC[N@H+](C)[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042972454 174282882 /nfs/dbraw/zinc/28/28/82/174282882.db2.gz BLKDEKBGZNRTBB-GXFFZTMASA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042972454 174282885 /nfs/dbraw/zinc/28/28/85/174282885.db2.gz BLKDEKBGZNRTBB-GXFFZTMASA-N 2 2 240.322 1.792 10 0 BDAELP COCCNc1cc([C@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000072386642 174341284 /nfs/dbraw/zinc/34/12/84/174341284.db2.gz JXEWHHRISOSWMJ-LBPRGKRZSA-N 2 2 235.331 1.607 10 0 BDAELP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC[NH+](C)C)C12CCC2 ZINC000365122947 174784364 /nfs/dbraw/zinc/78/43/64/174784364.db2.gz FLCYVJVGAYLYAV-IJLUTSLNSA-N 2 2 226.364 1.341 10 0 BDAELP COc1c(Cl)cc(F)cc1[C@@H]([NH3+])C[NH3+] ZINC000044475210 174929820 /nfs/dbraw/zinc/92/98/20/174929820.db2.gz KBDDLTBFNPWRJZ-QMMMGPOBSA-N 2 2 218.659 1.446 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324569764 487629874 /nfs/dbraw/zinc/62/98/74/487629874.db2.gz WFWJHUVCBHXBMB-NWDGAFQWSA-N 2 2 228.380 1.467 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324569764 487629878 /nfs/dbraw/zinc/62/98/78/487629878.db2.gz WFWJHUVCBHXBMB-NWDGAFQWSA-N 2 2 228.380 1.467 10 0 BDAELP COc1ccc(CC[N@H+](C)CC[NH3+])cc1C ZINC000077334585 175089397 /nfs/dbraw/zinc/08/93/97/175089397.db2.gz XVXIGCMBJJEHHH-UHFFFAOYSA-N 2 2 222.332 1.437 10 0 BDAELP COc1ccc(CC[N@@H+](C)CC[NH3+])cc1C ZINC000077334585 175089398 /nfs/dbraw/zinc/08/93/98/175089398.db2.gz XVXIGCMBJJEHHH-UHFFFAOYSA-N 2 2 222.332 1.437 10 0 BDAELP COc1ccc(C[C@H](C[NH3+])[NH+](C)C)c(OC)c1 ZINC000041280514 175117145 /nfs/dbraw/zinc/11/71/45/175117145.db2.gz CLEUYIFMLDSMIZ-LLVKDONJSA-N 2 2 238.331 1.135 10 0 BDAELP COc1cccc([C@H](C[NH3+])[NH2+]C(C)C)c1OC ZINC000050270854 175294290 /nfs/dbraw/zinc/29/42/90/175294290.db2.gz VCJODOQNZSITSE-NSHDSACASA-N 2 2 238.331 1.702 10 0 BDAELP COc1ccccc1[C@@H]([NH3+])C[NH+]1CCCC1 ZINC000023067693 175347377 /nfs/dbraw/zinc/34/73/77/175347377.db2.gz XJQWGNQUZKBZKS-LBPRGKRZSA-N 2 2 220.316 1.791 10 0 BDAELP C[C@@H](c1ccc2c(c1)OCO2)[N@H+](C)CC[NH3+] ZINC000054416776 176016519 /nfs/dbraw/zinc/01/65/19/176016519.db2.gz SWAMHZPWSGEKNZ-VIFPVBQESA-N 2 2 222.288 1.367 10 0 BDAELP C[C@@H](c1ccc2c(c1)OCO2)[N@@H+](C)CC[NH3+] ZINC000054416776 176016521 /nfs/dbraw/zinc/01/65/21/176016521.db2.gz SWAMHZPWSGEKNZ-VIFPVBQESA-N 2 2 222.288 1.367 10 0 BDAELP C[C@@H]1CCCC[C@]1(C[NH3+])[NH+]1CCOCC1 ZINC000019517425 176090218 /nfs/dbraw/zinc/09/02/18/176090218.db2.gz LYKFITVJWCMUFF-VXGBXAGGSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000235341269 176176977 /nfs/dbraw/zinc/17/69/77/176176977.db2.gz SHEOKYHDYYLYJN-PWSUYJOCSA-N 2 2 237.322 1.637 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C[C@@H]1C[NH3+] ZINC000235341269 176176978 /nfs/dbraw/zinc/17/69/78/176176978.db2.gz SHEOKYHDYYLYJN-PWSUYJOCSA-N 2 2 237.322 1.637 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000049661665 176325301 /nfs/dbraw/zinc/32/53/01/176325301.db2.gz OYNRUAZHUBCWLX-LLVKDONJSA-N 2 2 222.307 1.867 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000049661665 176325302 /nfs/dbraw/zinc/32/53/02/176325302.db2.gz OYNRUAZHUBCWLX-LLVKDONJSA-N 2 2 222.307 1.867 10 0 BDAELP C[C@H](Cn1cc[nH+]c1)NC1=[NH+][C@H](C)CS1 ZINC000049236452 176349027 /nfs/dbraw/zinc/34/90/27/176349027.db2.gz WRBWUMVJSNUCNK-RKDXNWHRSA-N 2 2 224.333 1.353 10 0 BDAELP C[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000044526818 177158316 /nfs/dbraw/zinc/15/83/16/177158316.db2.gz XEHDHQPBNLQBMI-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000044526818 177158318 /nfs/dbraw/zinc/15/83/18/177158318.db2.gz XEHDHQPBNLQBMI-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1C[C@@H](C)CC[N@@H+]1CC[NH2+]C1CCOCC1 ZINC000062767731 177160303 /nfs/dbraw/zinc/16/03/03/177160303.db2.gz XBVNVCCBTDXQSY-QWHCGFSZSA-N 2 2 240.391 1.875 10 0 BDAELP C[C@@H]1C[C@@H](C)CC[N@H+]1CC[NH2+]C1CCOCC1 ZINC000062767731 177160304 /nfs/dbraw/zinc/16/03/04/177160304.db2.gz XBVNVCCBTDXQSY-QWHCGFSZSA-N 2 2 240.391 1.875 10 0 BDAELP C[C@H]1CC[NH2+]C[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000335655995 177175731 /nfs/dbraw/zinc/17/57/31/177175731.db2.gz GWKNEEFVDVUEFM-CMPLNLGQSA-N 2 2 244.342 1.983 10 0 BDAELP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1CCOc1ccccc1 ZINC000044421609 177203534 /nfs/dbraw/zinc/20/35/34/177203534.db2.gz DJNIPRUKTSRZSI-STQMWFEESA-N 2 2 234.343 1.877 10 0 BDAELP C[C@H]1CC[C@H]([NH3+])C[N@H+]1CCOc1ccccc1 ZINC000044421609 177203535 /nfs/dbraw/zinc/20/35/35/177203535.db2.gz DJNIPRUKTSRZSI-STQMWFEESA-N 2 2 234.343 1.877 10 0 BDAELP C[C@H]1C[N@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062609108 177254989 /nfs/dbraw/zinc/25/49/89/177254989.db2.gz SNKKUTIVSPRLGG-ZDUSSCGKSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@H]1C[N@@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062609108 177254990 /nfs/dbraw/zinc/25/49/90/177254990.db2.gz SNKKUTIVSPRLGG-ZDUSSCGKSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@H]1C[N@H+](Cc2cc(C[NH3+])ccc2F)CCO1 ZINC000019401753 177261141 /nfs/dbraw/zinc/26/11/41/177261141.db2.gz SYSUWDPJRMAVQA-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1C[N@@H+](Cc2cc(C[NH3+])ccc2F)CCO1 ZINC000019401753 177261143 /nfs/dbraw/zinc/26/11/43/177261143.db2.gz SYSUWDPJRMAVQA-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071522552 177265879 /nfs/dbraw/zinc/26/58/79/177265879.db2.gz FRRWEEKCNJSTFN-AAEUAGOBSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071522552 177265880 /nfs/dbraw/zinc/26/58/80/177265880.db2.gz FRRWEEKCNJSTFN-AAEUAGOBSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](Cc2cccc(F)c2)C1 ZINC000049661833 177283068 /nfs/dbraw/zinc/28/30/68/177283068.db2.gz HVQHRVTXUDYYEV-NSHDSACASA-N 2 2 222.307 1.867 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000049661833 177283070 /nfs/dbraw/zinc/28/30/70/177283070.db2.gz HVQHRVTXUDYYEV-NSHDSACASA-N 2 2 222.307 1.867 10 0 BDAELP CCn1cc[nH+]c1CNc1[nH+]ccn1CC ZINC000385302477 487780087 /nfs/dbraw/zinc/78/00/87/487780087.db2.gz FDCFHQMUIWRFEZ-UHFFFAOYSA-N 2 2 219.292 1.732 10 0 BDAELP CC[C@@H]1CN(c2cccc[nH+]2)CC[C@H]1[NH3+] ZINC000251852056 487802400 /nfs/dbraw/zinc/80/24/00/487802400.db2.gz RWJJIOSJBZUGMA-GHMZBOCLSA-N 2 2 205.305 1.645 10 0 BDAELP Cc1ccc(C[NH+]2CCOCC2)cc1C[NH3+] ZINC000536953653 323961243 /nfs/dbraw/zinc/96/12/43/323961243.db2.gz LCROWZRNHMQFBT-UHFFFAOYSA-N 2 2 220.316 1.286 10 0 BDAELP CC(C)C[N@@H+]1CCC[C@@H]1CNCc1[nH]cc[nH+]1 ZINC000130746422 325082993 /nfs/dbraw/zinc/08/29/93/325082993.db2.gz UNCZOSRFMLJPQN-GFCCVEGCSA-N 2 2 236.363 1.620 10 0 BDAELP CC(C)C[N@H+]1CCC[C@@H]1CNCc1[nH]cc[nH+]1 ZINC000130746422 325082995 /nfs/dbraw/zinc/08/29/95/325082995.db2.gz UNCZOSRFMLJPQN-GFCCVEGCSA-N 2 2 236.363 1.620 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000129064893 488072083 /nfs/dbraw/zinc/07/20/83/488072083.db2.gz QTXCTIOPMPXSHA-JTQLQIEISA-N 2 2 221.304 1.702 10 0 BDAELP CC(C)n1cc[nH+]c1CN(C)CC(C)(C)[NH3+] ZINC000662292110 487541536 /nfs/dbraw/zinc/54/15/36/487541536.db2.gz AJYQRXULXNZGMQ-UHFFFAOYSA-N 2 2 224.352 1.633 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049451 491051989 /nfs/dbraw/zinc/05/19/89/491051989.db2.gz QAHXJOFZPZOGKM-CMPLNLGQSA-N 2 2 207.321 1.445 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049451 491051990 /nfs/dbraw/zinc/05/19/90/491051990.db2.gz QAHXJOFZPZOGKM-CMPLNLGQSA-N 2 2 207.321 1.445 10 0 BDAELP CC(C)[C@@H]1[NH2+][C@@]2(CCC[NH2+]C2)OCC1(C)C ZINC000757153421 582537295 /nfs/dbraw/zinc/53/72/95/582537295.db2.gz VQRREAZVNBFIDO-AAEUAGOBSA-N 2 2 226.364 1.737 10 0 BDAELP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400518579 533989833 /nfs/dbraw/zinc/98/98/33/533989833.db2.gz NSQILCKCWNLCNX-DGAVXFQQSA-N 3 2 237.391 1.201 10 0 BDAELP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC[NH2+]C1 ZINC000400518579 533989839 /nfs/dbraw/zinc/98/98/39/533989839.db2.gz NSQILCKCWNLCNX-DGAVXFQQSA-N 3 2 237.391 1.201 10 0 BDAELP C[NH2+]Cc1c(C)cc(C)[nH+]c1N1CCOCC1 ZINC000051399213 536468897 /nfs/dbraw/zinc/46/88/97/536468897.db2.gz GRTCZQGGMGDWPP-UHFFFAOYSA-N 2 2 235.331 1.254 10 0 BDAELP CC[C@@H](C)[NH+]1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000035367796 535566123 /nfs/dbraw/zinc/56/61/23/535566123.db2.gz MPPZSCAFGLPSTB-LLVKDONJSA-N 2 2 234.347 1.584 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](c2ccc(C=O)s2)[C@@H]([NH3+])C1 ZINC000757216496 582562089 /nfs/dbraw/zinc/56/20/89/582562089.db2.gz PVGZMZFVMABPSF-OVYXKVPISA-N 2 2 224.329 1.558 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000757217997 582562267 /nfs/dbraw/zinc/56/22/67/582562267.db2.gz UCIJPLQURXPKRG-QCZZGDTMSA-N 2 2 232.327 1.887 10 0 BDAELP CC(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000111690302 582818233 /nfs/dbraw/zinc/81/82/33/582818233.db2.gz BJTQCRIZSVCYIE-CYBMUJFWSA-N 2 2 235.331 1.574 10 0 BDAELP CC(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000111690302 582818234 /nfs/dbraw/zinc/81/82/34/582818234.db2.gz BJTQCRIZSVCYIE-CYBMUJFWSA-N 2 2 235.331 1.574 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000393610022 582819835 /nfs/dbraw/zinc/81/98/35/582819835.db2.gz NCQBHLZXPMZMLN-WOPDTQHZSA-N 2 2 212.337 1.095 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000393610022 582819836 /nfs/dbraw/zinc/81/98/36/582819836.db2.gz NCQBHLZXPMZMLN-WOPDTQHZSA-N 2 2 212.337 1.095 10 0 BDAELP CC(C)(C)OC(=O)[C@H]1C[NH2+]C[C@@H]1c1c[nH+]c[nH]1 ZINC000757189416 586435078 /nfs/dbraw/zinc/43/50/78/586435078.db2.gz NOOKYKBOGJVRLT-IUCAKERBSA-N 2 2 237.303 1.054 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cccc(C=O)c2)[C@H]1[NH3+] ZINC000757207897 586438076 /nfs/dbraw/zinc/43/80/76/586438076.db2.gz BZHQVRBGQQKYKQ-ICCXJUOJSA-N 2 2 218.300 1.497 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+][C@@H](C)CC[C@H]1[NH3+] ZINC000757228360 586442930 /nfs/dbraw/zinc/44/29/30/586442930.db2.gz CJNJHUYNNJOXHA-BIMULSAOSA-N 2 2 219.332 1.718 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C2CC(C(F)F)C2)[C@@H](C)C1 ZINC000309918898 634041939 /nfs/dbraw/zinc/04/19/39/634041939.db2.gz QWKZUGXYGBNCKJ-PMUOWJKOSA-N 2 2 232.318 1.960 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C2CC(C(F)F)C2)[C@@H](C)C1 ZINC000309918898 634041944 /nfs/dbraw/zinc/04/19/44/634041944.db2.gz QWKZUGXYGBNCKJ-PMUOWJKOSA-N 2 2 232.318 1.960 10 0 BDAELP C[C@H](O)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336777380 635287926 /nfs/dbraw/zinc/28/79/26/635287926.db2.gz IHAFRPZKABHZBR-IUCAKERBSA-N 2 2 243.376 1.064 10 0 BDAELP C[C@@H]1C[NH+](C[C@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000062861636 641100500 /nfs/dbraw/zinc/10/05/00/641100500.db2.gz HXGALBRIHKWGFP-JHJVBQTASA-N 2 2 226.364 1.485 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CSC1(C)C ZINC000306950223 643300048 /nfs/dbraw/zinc/30/00/48/643300048.db2.gz YDSVYWFLBZATAV-LPEHRKFASA-N 2 2 214.378 1.611 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1[NH3+] ZINC000715505601 712523698 /nfs/dbraw/zinc/52/36/98/712523698.db2.gz XZKGNJBYVQSIEK-IXOXFDKPSA-N 2 2 224.348 1.223 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C[C@@H]1[NH3+] ZINC000715505601 712523701 /nfs/dbraw/zinc/52/37/01/712523701.db2.gz XZKGNJBYVQSIEK-IXOXFDKPSA-N 2 2 224.348 1.223 10 0 BDAELP C[C@H]1C[N@H+](Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000708894083 712202469 /nfs/dbraw/zinc/20/24/69/712202469.db2.gz PTRQBCUXJWLLHF-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@H]1C[N@@H+](Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000708894083 712202470 /nfs/dbraw/zinc/20/24/70/712202470.db2.gz PTRQBCUXJWLLHF-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000708894077 712202691 /nfs/dbraw/zinc/20/26/91/712202691.db2.gz PTRQBCUXJWLLHF-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cccnc2Cl)C[C@@H]1C[NH3+] ZINC000708894077 712202693 /nfs/dbraw/zinc/20/26/93/712202693.db2.gz PTRQBCUXJWLLHF-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP [NH3+]Cc1nc2c(s1)CC[N@@H+](C1CCCC1)C2 ZINC000709753568 712217237 /nfs/dbraw/zinc/21/72/37/712217237.db2.gz CEKDMJPHLDHMAW-UHFFFAOYSA-N 2 2 237.372 1.903 10 0 BDAELP [NH3+]Cc1nc2c(s1)CC[N@H+](C1CCCC1)C2 ZINC000709753568 712217239 /nfs/dbraw/zinc/21/72/39/712217239.db2.gz CEKDMJPHLDHMAW-UHFFFAOYSA-N 2 2 237.372 1.903 10 0 BDAELP C[C@@H]1C[N@H+](Cc2nccn2C2CC2)C[C@@H]1C[NH3+] ZINC000711727454 712323234 /nfs/dbraw/zinc/32/32/34/712323234.db2.gz YBLDCBZWVALXHJ-MNOVXSKESA-N 2 2 234.347 1.245 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2nccn2C2CC2)C[C@@H]1C[NH3+] ZINC000711727454 712323236 /nfs/dbraw/zinc/32/32/36/712323236.db2.gz YBLDCBZWVALXHJ-MNOVXSKESA-N 2 2 234.347 1.245 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000035783519 168323166 /nfs/dbraw/zinc/32/31/66/168323166.db2.gz VXHJPNUTGAFSFD-QWRGUYRKSA-N 2 2 214.353 1.613 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000035783519 168323167 /nfs/dbraw/zinc/32/31/67/168323167.db2.gz VXHJPNUTGAFSFD-QWRGUYRKSA-N 2 2 214.353 1.613 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000309732803 398149271 /nfs/dbraw/zinc/14/92/71/398149271.db2.gz BOISKBSEOCCNNE-RKDXNWHRSA-N 2 2 230.302 1.999 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000309732803 398149272 /nfs/dbraw/zinc/14/92/72/398149272.db2.gz BOISKBSEOCCNNE-RKDXNWHRSA-N 2 2 230.302 1.999 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cc[nH+]c1 ZINC000161867807 349516583 /nfs/dbraw/zinc/51/65/83/349516583.db2.gz GAJWMAFGAXZBOK-CHWSQXEVSA-N 2 2 234.347 1.052 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCn1cc[nH+]c1 ZINC000161867807 349516586 /nfs/dbraw/zinc/51/65/86/349516586.db2.gz GAJWMAFGAXZBOK-CHWSQXEVSA-N 2 2 234.347 1.052 10 0 BDAELP Cc1cc2[nH+]cn(CC(N)=[NH2+])c2cc1C ZINC000019430614 178306180 /nfs/dbraw/zinc/30/61/80/178306180.db2.gz XJPVYDLDMGYOMK-UHFFFAOYSA-N 2 2 202.261 1.589 10 0 BDAELP Cc1ccc(Br)cc1[C@H]([NH3+])C[NH3+] ZINC000072201229 178362292 /nfs/dbraw/zinc/36/22/92/178362292.db2.gz VDJWBIHLYMAQPS-SECBINFHSA-N 2 2 229.121 1.716 10 0 BDAELP CCC(CC)[N@H+](CC[NH3+])[C@H]1CCCCNC1=O ZINC000104318462 168372169 /nfs/dbraw/zinc/37/21/69/168372169.db2.gz BJHVYWARYDINKZ-LBPRGKRZSA-N 2 2 241.379 1.104 10 0 BDAELP CCC(CC)[N@@H+](CC[NH3+])[C@H]1CCCCNC1=O ZINC000104318462 168372171 /nfs/dbraw/zinc/37/21/71/168372171.db2.gz BJHVYWARYDINKZ-LBPRGKRZSA-N 2 2 241.379 1.104 10 0 BDAELP CCC(CC)NC(=O)C[N@H+](CCC[NH3+])C1CC1 ZINC000049285405 168376833 /nfs/dbraw/zinc/37/68/33/168376833.db2.gz DJNMGXSILLBIDS-UHFFFAOYSA-N 2 2 241.379 1.104 10 0 BDAELP CCC(CC)NC(=O)C[N@@H+](CCC[NH3+])C1CC1 ZINC000049285405 168376834 /nfs/dbraw/zinc/37/68/34/168376834.db2.gz DJNMGXSILLBIDS-UHFFFAOYSA-N 2 2 241.379 1.104 10 0 BDAELP C([NH2+]C1CCCCC1)[C@@H]1CSCC[NH2+]1 ZINC000127074837 342835930 /nfs/dbraw/zinc/83/59/30/342835930.db2.gz QJEIXAVDEKFDIH-LLVKDONJSA-N 2 2 214.378 1.614 10 0 BDAELP C[C@@H](c1nccs1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000070634700 343141474 /nfs/dbraw/zinc/14/14/74/343141474.db2.gz AXCMZDZIGLGXPP-DTWKUNHWSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@@H](c1nccs1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000070634700 343141476 /nfs/dbraw/zinc/14/14/76/343141476.db2.gz AXCMZDZIGLGXPP-DTWKUNHWSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000247243950 343377254 /nfs/dbraw/zinc/37/72/54/343377254.db2.gz NFVFNAIXKHFLJT-NEPJUHHUSA-N 2 2 234.347 1.089 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]ccn1C ZINC000247243950 343377257 /nfs/dbraw/zinc/37/72/57/343377257.db2.gz NFVFNAIXKHFLJT-NEPJUHHUSA-N 2 2 234.347 1.089 10 0 BDAELP Cc1cc(N[C@H](C[NH3+])CC(C)C)nc[nH+]1 ZINC000082593024 343450309 /nfs/dbraw/zinc/45/03/09/343450309.db2.gz FRSLJKXUGJBJSS-JTQLQIEISA-N 2 2 208.309 1.570 10 0 BDAELP C[C@H]1CC[N@H+](C[Si](C)(C)C)C[C@H]1[NH3+] ZINC000401834543 343736069 /nfs/dbraw/zinc/73/60/69/343736069.db2.gz DKGROMFQRKJBTK-VHSXEESVSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@H]1CC[N@@H+](C[Si](C)(C)C)C[C@H]1[NH3+] ZINC000401834543 343736072 /nfs/dbraw/zinc/73/60/72/343736072.db2.gz DKGROMFQRKJBTK-VHSXEESVSA-N 2 2 200.402 1.533 10 0 BDAELP C[N@@H+](Cc1ncc[nH]1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328649889 537838588 /nfs/dbraw/zinc/83/85/88/537838588.db2.gz VIERWYLLUFKTQW-LLVKDONJSA-N 2 2 245.330 1.301 10 0 BDAELP C[N@H+](Cc1ncc[nH]1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328649889 537838595 /nfs/dbraw/zinc/83/85/95/537838595.db2.gz VIERWYLLUFKTQW-LLVKDONJSA-N 2 2 245.330 1.301 10 0 BDAELP CCc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000248417580 537853704 /nfs/dbraw/zinc/85/37/04/537853704.db2.gz JPBBWGKMYFYFLI-ZDUSSCGKSA-N 2 2 246.358 1.632 10 0 BDAELP CCc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc(C)[nH+]1 ZINC000248417580 537853712 /nfs/dbraw/zinc/85/37/12/537853712.db2.gz JPBBWGKMYFYFLI-ZDUSSCGKSA-N 2 2 246.358 1.632 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@](C)(C[NH3+])C1 ZINC000234946683 537882736 /nfs/dbraw/zinc/88/27/36/537882736.db2.gz BYOXZSZLKBWOGY-LBPRGKRZSA-N 2 2 221.304 1.265 10 0 BDAELP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](C[NH3+])O1 ZINC000011886488 345050766 /nfs/dbraw/zinc/05/07/66/345050766.db2.gz DSQYMFUJKJXVSW-ZDUSSCGKSA-N 2 2 234.343 1.625 10 0 BDAELP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](C[NH3+])O1 ZINC000011886488 345050769 /nfs/dbraw/zinc/05/07/69/345050769.db2.gz DSQYMFUJKJXVSW-ZDUSSCGKSA-N 2 2 234.343 1.625 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1sccc1Br ZINC000044469787 345085240 /nfs/dbraw/zinc/08/52/40/345085240.db2.gz GGMVOSNBTJKNNF-YFKPBYRVSA-N 2 2 221.123 1.469 10 0 BDAELP C([NH2+]C1CCCCC1)[C@H]1CSCC[NH2+]1 ZINC000127075093 345154620 /nfs/dbraw/zinc/15/46/20/345154620.db2.gz QJEIXAVDEKFDIH-NSHDSACASA-N 2 2 214.378 1.614 10 0 BDAELP CC[N@H+](C)CCN1CCCc2cc([NH3+])ccc21 ZINC000167743332 345799270 /nfs/dbraw/zinc/79/92/70/345799270.db2.gz LCWXPBIPCPTEFK-UHFFFAOYSA-N 2 2 233.359 1.973 10 0 BDAELP CC[N@@H+](C)CCN1CCCc2cc([NH3+])ccc21 ZINC000167743332 345799275 /nfs/dbraw/zinc/79/92/75/345799275.db2.gz LCWXPBIPCPTEFK-UHFFFAOYSA-N 2 2 233.359 1.973 10 0 BDAELP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000148534094 346304409 /nfs/dbraw/zinc/30/44/09/346304409.db2.gz YIWVMHCEGJARCH-CHWSQXEVSA-N 2 2 220.316 1.235 10 0 BDAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000148534094 346304412 /nfs/dbraw/zinc/30/44/12/346304412.db2.gz YIWVMHCEGJARCH-CHWSQXEVSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378414 537966005 /nfs/dbraw/zinc/96/60/05/537966005.db2.gz DMZJLPXVXFRWJC-UPJWGTAASA-N 3 2 225.380 1.045 10 0 BDAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378414 537966007 /nfs/dbraw/zinc/96/60/07/537966007.db2.gz DMZJLPXVXFRWJC-UPJWGTAASA-N 3 2 225.380 1.045 10 0 BDAELP Cc1[nH]c(CN2CC[C@H]([NH+](C)C)C2)[nH+]c1C ZINC000628278396 346288305 /nfs/dbraw/zinc/28/83/05/346288305.db2.gz OWKMRXKXZIUGJJ-NSHDSACASA-N 2 2 222.336 1.162 10 0 BDAELP Cc1cccc(C)c1OCC[C@H](C[NH3+])[NH+](C)C ZINC000019663820 179046320 /nfs/dbraw/zinc/04/63/20/179046320.db2.gz FYUJANJUMYWVNV-CYBMUJFWSA-N 2 2 236.359 1.961 10 0 BDAELP Cc1cccc(C[N@@H+]2C[C@H](C[NH3+])OC(C)(C)C2)c1 ZINC000011886507 179084080 /nfs/dbraw/zinc/08/40/80/179084080.db2.gz CAJJANKXGOJBCM-AWEZNQCLSA-N 2 2 248.370 1.933 10 0 BDAELP Cc1cccc(C[N@H+]2C[C@H](C[NH3+])OC(C)(C)C2)c1 ZINC000011886507 179084082 /nfs/dbraw/zinc/08/40/82/179084082.db2.gz CAJJANKXGOJBCM-AWEZNQCLSA-N 2 2 248.370 1.933 10 0 BDAELP Cc1cccc(Cn2c[nH+]c(CC[NH3+])c2)c1 ZINC000071519336 179109963 /nfs/dbraw/zinc/10/99/63/179109963.db2.gz UHGPFUVFPISCFW-UHFFFAOYSA-N 2 2 215.300 1.741 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000120420770 347358951 /nfs/dbraw/zinc/35/89/51/347358951.db2.gz PVVIKSGTNLOUMM-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000120420770 347358955 /nfs/dbraw/zinc/35/89/55/347358955.db2.gz PVVIKSGTNLOUMM-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP COC[C@@H](C)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000390644872 259396442 /nfs/dbraw/zinc/39/64/42/259396442.db2.gz NPRYWDVCUYKZQQ-UWVGGRQHSA-N 2 2 223.320 1.139 10 0 BDAELP COC[C@@H](C)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000390644872 259396443 /nfs/dbraw/zinc/39/64/43/259396443.db2.gz NPRYWDVCUYKZQQ-UWVGGRQHSA-N 2 2 223.320 1.139 10 0 BDAELP CC(C)[C@H]([NH3+])C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000251741771 362903194 /nfs/dbraw/zinc/90/31/94/362903194.db2.gz RJIKSUQLRVKBAC-GMTAPVOTSA-N 2 2 200.326 1.079 10 0 BDAELP COCCC[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616577844 349119163 /nfs/dbraw/zinc/11/91/63/349119163.db2.gz MZMZTWYZUOXUNI-LBPRGKRZSA-N 2 2 224.348 1.239 10 0 BDAELP CC[N@H+](CCO)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382251094 349331679 /nfs/dbraw/zinc/33/16/79/349331679.db2.gz VCKSETJRNAXSRJ-XQQFMLRXSA-N 2 2 226.364 1.079 10 0 BDAELP CC[N@@H+](CCO)CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000382251094 349331682 /nfs/dbraw/zinc/33/16/82/349331682.db2.gz VCKSETJRNAXSRJ-XQQFMLRXSA-N 2 2 226.364 1.079 10 0 BDAELP Cc1nc(N[C@@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000054936098 180204035 /nfs/dbraw/zinc/20/40/35/180204035.db2.gz VJVHZNWFNQYJCD-SNVBAGLBSA-N 2 2 206.293 1.291 10 0 BDAELP Cc1nc(N[C@@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000054936098 180204038 /nfs/dbraw/zinc/20/40/38/180204038.db2.gz VJVHZNWFNQYJCD-SNVBAGLBSA-N 2 2 206.293 1.291 10 0 BDAELP Cc1[nH+]cn(Cc2cc[nH+]c(N)c2)c1C ZINC000052733973 180290046 /nfs/dbraw/zinc/29/00/46/180290046.db2.gz XQRUODTYCYBDIG-UHFFFAOYSA-N 2 2 202.261 1.525 10 0 BDAELP Cc1[nH+]cn(-c2ccc(C[NH3+])cn2)c1C ZINC000051925512 180285735 /nfs/dbraw/zinc/28/57/35/180285735.db2.gz ORKDGVLUQZQRAR-UHFFFAOYSA-N 2 2 202.261 1.343 10 0 BDAELP COc1ccc2[nH]c(C[C@H](C)[NH3+])[nH+]c2c1 ZINC000083187335 538095712 /nfs/dbraw/zinc/09/57/12/538095712.db2.gz TXRFXVOQKFYPSR-ZETCQYMHSA-N 2 2 205.261 1.461 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336654092 350597742 /nfs/dbraw/zinc/59/77/42/350597742.db2.gz JYAZMTBJFHXYCZ-STQMWFEESA-N 3 2 227.396 1.578 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C1 ZINC000336654092 350597744 /nfs/dbraw/zinc/59/77/44/350597744.db2.gz JYAZMTBJFHXYCZ-STQMWFEESA-N 3 2 227.396 1.578 10 0 BDAELP CCC[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000309499034 350614333 /nfs/dbraw/zinc/61/43/33/350614333.db2.gz ULWQJLPXFSWIJW-ZETCQYMHSA-N 2 2 210.281 1.207 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccc2CO)CC1 ZINC000616602304 350790947 /nfs/dbraw/zinc/79/09/47/350790947.db2.gz XDNMCDFDGHGXEV-CYBMUJFWSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccc2CO)CC1 ZINC000616602304 350790948 /nfs/dbraw/zinc/79/09/48/350790948.db2.gz XDNMCDFDGHGXEV-CYBMUJFWSA-N 2 2 248.370 1.707 10 0 BDAELP C[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248035621 350854629 /nfs/dbraw/zinc/85/46/29/350854629.db2.gz JKXQRHRSEWMWBN-KBPBESRZSA-N 2 2 234.343 1.089 10 0 BDAELP C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248035621 350854633 /nfs/dbraw/zinc/85/46/33/350854633.db2.gz JKXQRHRSEWMWBN-KBPBESRZSA-N 2 2 234.343 1.089 10 0 BDAELP [NH3+]CC[NH+]1CCC(c2ccc(CCO)cc2)CC1 ZINC000616619104 350926481 /nfs/dbraw/zinc/92/64/81/350926481.db2.gz CPFPFPYEXSUGOZ-UHFFFAOYSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616620646 350945384 /nfs/dbraw/zinc/94/53/84/350945384.db2.gz JLPGEOCLIZPBEP-HNNXBMFYSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc(CCO)cc2)C1 ZINC000616620646 350945388 /nfs/dbraw/zinc/94/53/88/350945388.db2.gz JLPGEOCLIZPBEP-HNNXBMFYSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccc(F)cc2)C1 ZINC000616620886 350945401 /nfs/dbraw/zinc/94/54/01/350945401.db2.gz NCGHLZPJICYUBU-LBPRGKRZSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccc(F)cc2)C1 ZINC000616620886 350945405 /nfs/dbraw/zinc/94/54/05/350945405.db2.gz NCGHLZPJICYUBU-LBPRGKRZSA-N 2 2 222.307 1.964 10 0 BDAELP Nc1ccccc1[C@H]1CCC[N@H+](CC[NH3+])C1 ZINC000616621557 351043958 /nfs/dbraw/zinc/04/39/58/351043958.db2.gz SMHKQIIZWLUGQW-NSHDSACASA-N 2 2 219.332 1.407 10 0 BDAELP Nc1ccccc1[C@H]1CCC[N@@H+](CC[NH3+])C1 ZINC000616621557 351043962 /nfs/dbraw/zinc/04/39/62/351043962.db2.gz SMHKQIIZWLUGQW-NSHDSACASA-N 2 2 219.332 1.407 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccnnc2)C1 ZINC000616630950 351104634 /nfs/dbraw/zinc/10/46/34/351104634.db2.gz WKZGPGKYCVMYHT-GFCCVEGCSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccnnc2)C1 ZINC000616630950 351104637 /nfs/dbraw/zinc/10/46/37/351104637.db2.gz WKZGPGKYCVMYHT-GFCCVEGCSA-N 2 2 220.320 1.005 10 0 BDAELP Nc1cccc([C@@H]2CCC[N@H+](CCO)CC2)[nH+]1 ZINC000616626643 351106282 /nfs/dbraw/zinc/10/62/82/351106282.db2.gz BVJDKSCDULJCAY-LLVKDONJSA-N 2 2 235.331 1.226 10 0 BDAELP Nc1cccc([C@@H]2CCC[N@@H+](CCO)CC2)[nH+]1 ZINC000616626643 351106284 /nfs/dbraw/zinc/10/62/84/351106284.db2.gz BVJDKSCDULJCAY-LLVKDONJSA-N 2 2 235.331 1.226 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616627299 351107871 /nfs/dbraw/zinc/10/78/71/351107871.db2.gz HIXCJVNYIPLLQG-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616627299 351107876 /nfs/dbraw/zinc/10/78/76/351107876.db2.gz HIXCJVNYIPLLQG-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CCN1C[C@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616684667 351255737 /nfs/dbraw/zinc/25/57/37/351255737.db2.gz MIMOYDRXRHJKMW-LLVKDONJSA-N 2 2 243.314 1.342 10 0 BDAELP CC(C)[N@@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616659276 351207252 /nfs/dbraw/zinc/20/72/52/351207252.db2.gz FCIRPXHOZWRQTQ-NSHDSACASA-N 2 2 209.293 1.165 10 0 BDAELP CC(C)[N@H+]1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616659276 351207256 /nfs/dbraw/zinc/20/72/56/351207256.db2.gz FCIRPXHOZWRQTQ-NSHDSACASA-N 2 2 209.293 1.165 10 0 BDAELP CC(C)[N@@H+]1CCOC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616660742 351212974 /nfs/dbraw/zinc/21/29/74/351212974.db2.gz OCZZHTPHGXYXNP-JTQLQIEISA-N 2 2 209.293 1.234 10 0 BDAELP CC(C)[N@H+]1CCOC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616660742 351212978 /nfs/dbraw/zinc/21/29/78/351212978.db2.gz OCZZHTPHGXYXNP-JTQLQIEISA-N 2 2 209.293 1.234 10 0 BDAELP CC[N@@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666385 351226565 /nfs/dbraw/zinc/22/65/65/351226565.db2.gz QKTXJBHJQLEHRM-GFCCVEGCSA-N 2 2 221.304 1.562 10 0 BDAELP CC[N@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666385 351226569 /nfs/dbraw/zinc/22/65/69/351226569.db2.gz QKTXJBHJQLEHRM-GFCCVEGCSA-N 2 2 221.304 1.562 10 0 BDAELP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C1CSC1 ZINC000307310886 351987428 /nfs/dbraw/zinc/98/74/28/351987428.db2.gz ZEZHPLJHHBFUHP-WPRPVWTQSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C1CSC1 ZINC000307310886 351987431 /nfs/dbraw/zinc/98/74/31/351987431.db2.gz ZEZHPLJHHBFUHP-WPRPVWTQSA-N 2 2 200.351 1.304 10 0 BDAELP Nc1ccc(SC[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000043471874 187632628 /nfs/dbraw/zinc/63/26/28/187632628.db2.gz FQBHQGOAABVYOY-VIFPVBQESA-N 2 2 223.345 1.756 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000300401354 352562802 /nfs/dbraw/zinc/56/28/02/352562802.db2.gz WJWQHBJCNRSDNV-AIYFBYTFSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000300401354 352562805 /nfs/dbraw/zinc/56/28/05/352562805.db2.gz WJWQHBJCNRSDNV-AIYFBYTFSA-N 2 2 202.729 1.798 10 0 BDAELP CC(C)(C[NH3+])[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000028521372 188283709 /nfs/dbraw/zinc/28/37/09/188283709.db2.gz ZFNKZZOTVBTFAO-UHFFFAOYSA-N 3 2 239.407 1.532 10 0 BDAELP Cc1c(C)n(CC[NH+](C)C)c2nc(C)[nH+]c(N)c12 ZINC000036939022 188286050 /nfs/dbraw/zinc/28/60/50/188286050.db2.gz ADFSAQJAUQEONG-UHFFFAOYSA-N 2 2 247.346 1.500 10 0 BDAELP C[NH+](C)C[C@@H](NCc1c[nH+]c[nH]1)c1ccccc1 ZINC000054763601 188300060 /nfs/dbraw/zinc/30/00/60/188300060.db2.gz KQHPWKOVXMYFOF-CQSZACIVSA-N 2 2 244.342 1.802 10 0 BDAELP CNc1[nH+]cccc1Cn1cc[nH+]c1C ZINC000052732159 188333855 /nfs/dbraw/zinc/33/38/55/188333855.db2.gz QIWCGZAZBMRFBS-UHFFFAOYSA-N 2 2 202.261 1.677 10 0 BDAELP C1CC[C@H]2[C@H](C1)OCC[N@@H+]2[C@@H]1CCCC[NH2+]C1 ZINC000054135448 188352569 /nfs/dbraw/zinc/35/25/69/188352569.db2.gz UUJIDHVTWPWIEF-RDBSUJKOSA-N 2 2 238.375 1.772 10 0 BDAELP C1CC[C@H]2[C@H](C1)OCC[N@H+]2[C@@H]1CCCC[NH2+]C1 ZINC000054135448 188352571 /nfs/dbraw/zinc/35/25/71/188352571.db2.gz UUJIDHVTWPWIEF-RDBSUJKOSA-N 2 2 238.375 1.772 10 0 BDAELP CC[C@@H]1CN(c2cc(C)[nH+]cc2C#N)CC[C@@H]1[NH3+] ZINC000398984935 353421415 /nfs/dbraw/zinc/42/14/15/353421415.db2.gz HPFXUYVBZSXGHM-YPMHNXCESA-N 2 2 244.342 1.825 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000389069140 355606077 /nfs/dbraw/zinc/60/60/77/355606077.db2.gz LWCMFWQSUDNILN-AVGNSLFASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCOC2)C1 ZINC000389069140 355606078 /nfs/dbraw/zinc/60/60/78/355606078.db2.gz LWCMFWQSUDNILN-AVGNSLFASA-N 2 2 226.364 1.485 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccc(C3CC3)s2)C[NH2+]C1 ZINC000675077739 538513281 /nfs/dbraw/zinc/51/32/81/538513281.db2.gz HVEGWGWNCTVQIJ-SNVBAGLBSA-N 2 2 220.341 1.939 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ccsc2Cl)C[NH2+]C1 ZINC000675077419 538514360 /nfs/dbraw/zinc/51/43/60/538514360.db2.gz DYFXETWSNPTFIF-VIFPVBQESA-N 2 2 228.748 1.801 10 0 BDAELP Cc1cc(C2=C[C@H]([NH3+])C[NH2+]C2)cnc1C ZINC000675078587 538516457 /nfs/dbraw/zinc/51/64/57/538516457.db2.gz RBFRIGIYCCHJSB-LBPRGKRZSA-N 2 2 203.289 1.012 10 0 BDAELP CCc1ccccc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077751 538513104 /nfs/dbraw/zinc/51/31/04/538513104.db2.gz HYDSIJMDKTXIMG-GFCCVEGCSA-N 2 2 202.301 1.563 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000389531890 356970731 /nfs/dbraw/zinc/97/07/31/356970731.db2.gz IPCTYCPTZOLLDK-LBPRGKRZSA-N 2 2 207.321 1.209 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccn(C)c2)C1 ZINC000389531890 356970733 /nfs/dbraw/zinc/97/07/33/356970733.db2.gz IPCTYCPTZOLLDK-LBPRGKRZSA-N 2 2 207.321 1.209 10 0 BDAELP Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)nc[nH+]1 ZINC000389716787 357018765 /nfs/dbraw/zinc/01/87/65/357018765.db2.gz AMDWENGWMDALJE-PSASIEDQSA-N 2 2 206.293 1.195 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1[C@H]1CC[NH2+]C[C@H]1F ZINC000685948451 538891232 /nfs/dbraw/zinc/89/12/32/538891232.db2.gz OJWCJXJMDGOCAI-MXWKQRLJSA-N 2 2 200.301 1.561 10 0 BDAELP C[C@@H]1CCCC[N@H+]1[C@H]1CC[NH2+]C[C@H]1F ZINC000685948451 538891233 /nfs/dbraw/zinc/89/12/33/538891233.db2.gz OJWCJXJMDGOCAI-MXWKQRLJSA-N 2 2 200.301 1.561 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948868 538891918 /nfs/dbraw/zinc/89/19/18/538891918.db2.gz UTCGODNJOQXBRD-WHOHXGKFSA-N 2 2 214.328 1.664 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948868 538891920 /nfs/dbraw/zinc/89/19/20/538891920.db2.gz UTCGODNJOQXBRD-WHOHXGKFSA-N 2 2 214.328 1.664 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[NH2+]C[C@H]2F)C1 ZINC000685948865 538892096 /nfs/dbraw/zinc/89/20/96/538892096.db2.gz UTCGODNJOQXBRD-KXNHARMFSA-N 2 2 214.328 1.664 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+]C[C@H]2F)C1 ZINC000685948865 538892099 /nfs/dbraw/zinc/89/20/99/538892099.db2.gz UTCGODNJOQXBRD-KXNHARMFSA-N 2 2 214.328 1.664 10 0 BDAELP c1cn(Cc2cccc(-n3cc[nH+]c3)n2)c[nH+]1 ZINC000584621891 358290194 /nfs/dbraw/zinc/29/01/94/358290194.db2.gz USZMELVPWJEVEH-UHFFFAOYSA-N 2 2 225.255 1.512 10 0 BDAELP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000130665077 358639734 /nfs/dbraw/zinc/63/97/34/358639734.db2.gz BJZUYLRETWYTEY-RVMXOQNASA-N 2 2 228.380 1.728 10 0 BDAELP CO[C@H](C)[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000130665077 358639736 /nfs/dbraw/zinc/63/97/36/358639736.db2.gz BJZUYLRETWYTEY-RVMXOQNASA-N 2 2 228.380 1.728 10 0 BDAELP CC(C)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000069717987 359032950 /nfs/dbraw/zinc/03/29/50/359032950.db2.gz YRDKVFBELVAKGR-SNVBAGLBSA-N 2 2 224.352 1.620 10 0 BDAELP CC1(C)CC[C@@]1(C[NH3+])[NH+]1CCSCC1 ZINC000306231501 359380521 /nfs/dbraw/zinc/38/05/21/359380521.db2.gz LXJFXSVBWDMRED-NSHDSACASA-N 2 2 214.378 1.553 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000306312509 359592802 /nfs/dbraw/zinc/59/28/02/359592802.db2.gz NNENFPPSUDATFF-MWLCHTKSSA-N 2 2 214.378 1.420 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000306312509 359592803 /nfs/dbraw/zinc/59/28/03/359592803.db2.gz NNENFPPSUDATFF-MWLCHTKSSA-N 2 2 214.378 1.420 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@H]2CSC[C@@H]2C)C1 ZINC000306410279 359795483 /nfs/dbraw/zinc/79/54/83/359795483.db2.gz RAWFRSFTMPVAPY-AEJSXWLSSA-N 2 2 200.351 1.032 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@H]2CSC[C@@H]2C)C1 ZINC000306410279 359795487 /nfs/dbraw/zinc/79/54/87/359795487.db2.gz RAWFRSFTMPVAPY-AEJSXWLSSA-N 2 2 200.351 1.032 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccncc2)C1 ZINC000309445682 491148465 /nfs/dbraw/zinc/14/84/65/491148465.db2.gz JRSXBEYYCYKATH-DGCLKSJQSA-N 2 2 219.332 1.511 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2ccncc2)C1 ZINC000309445682 491148466 /nfs/dbraw/zinc/14/84/66/491148466.db2.gz JRSXBEYYCYKATH-DGCLKSJQSA-N 2 2 219.332 1.511 10 0 BDAELP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC000306523937 360361624 /nfs/dbraw/zinc/36/16/24/360361624.db2.gz WCQKAFYYIOSZQX-ZJUUUORDSA-N 2 2 214.378 1.470 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC000069760984 360409461 /nfs/dbraw/zinc/40/94/61/360409461.db2.gz BFLJVLHHOCAMRQ-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@@H]1CSCC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC000069760984 360409463 /nfs/dbraw/zinc/40/94/63/360409463.db2.gz BFLJVLHHOCAMRQ-NXEZZACHSA-N 2 2 200.351 1.176 10 0 BDAELP CC[N@H+]1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000309489126 491149636 /nfs/dbraw/zinc/14/96/36/491149636.db2.gz WMEPTESSYSLOHQ-ONGXEEELSA-N 2 2 220.320 1.537 10 0 BDAELP CC[N@@H+]1C[C@H](Nc2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000309489126 491149637 /nfs/dbraw/zinc/14/96/37/491149637.db2.gz WMEPTESSYSLOHQ-ONGXEEELSA-N 2 2 220.320 1.537 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000069908584 361013983 /nfs/dbraw/zinc/01/39/83/361013983.db2.gz PAAGCDLZAIHLQW-KXUCPTDWSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H]2CC[NH2+]C2)C[C@H](C)S1 ZINC000069908584 361013988 /nfs/dbraw/zinc/01/39/88/361013988.db2.gz PAAGCDLZAIHLQW-KXUCPTDWSA-N 2 2 200.351 1.174 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](CCc2ccsc2)C1 ZINC000070559392 361536259 /nfs/dbraw/zinc/53/62/59/361536259.db2.gz RLIQUONXHKHIKD-LLVKDONJSA-N 2 2 210.346 1.714 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](CCc2ccsc2)C1 ZINC000070559392 361536262 /nfs/dbraw/zinc/53/62/62/361536262.db2.gz RLIQUONXHKHIKD-LLVKDONJSA-N 2 2 210.346 1.714 10 0 BDAELP Cc1c(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cnn1C ZINC000629662647 361595632 /nfs/dbraw/zinc/59/56/32/361595632.db2.gz DUWVERJDMHDHJY-OKILXGFUSA-N 2 2 248.374 1.160 10 0 BDAELP Cc1c(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cnn1C ZINC000629662647 361595637 /nfs/dbraw/zinc/59/56/37/361595637.db2.gz DUWVERJDMHDHJY-OKILXGFUSA-N 2 2 248.374 1.160 10 0 BDAELP C[C@@]1(C[NH2+]Cc2ccccc2)CCC[NH2+]1 ZINC000070619690 361643050 /nfs/dbraw/zinc/64/30/50/361643050.db2.gz OCMYBRZNJJHWKF-ZDUSSCGKSA-N 2 2 204.317 1.918 10 0 BDAELP [NH3+]CC1([NH+]2CCCCCCC2)CCOCC1 ZINC000036304870 181360578 /nfs/dbraw/zinc/36/05/78/181360578.db2.gz IMSQWZVWQDNUOQ-UHFFFAOYSA-N 2 2 226.364 1.760 10 0 BDAELP C[C@@H]1CN(c2[nH+]c3ccccc3n2C)C[C@H]1C[NH3+] ZINC000630555009 364253055 /nfs/dbraw/zinc/25/30/55/364253055.db2.gz XZSFWANMSZWGMR-GHMZBOCLSA-N 2 2 244.342 1.604 10 0 BDAELP C[C@H]1C[C@@H]([NH3+])CN1c1[nH]c2ccccc2[nH+]1 ZINC000630558281 364257221 /nfs/dbraw/zinc/25/72/21/364257221.db2.gz SULGJANQALTODA-DTWKUNHWSA-N 2 2 216.288 1.489 10 0 BDAELP c1cn(CCOc2ccc3c(c2)C[NH2+]C3)c[nH+]1 ZINC000113592772 370439307 /nfs/dbraw/zinc/43/93/07/370439307.db2.gz MWBLRUURBRGEIH-UHFFFAOYSA-N 2 2 229.283 1.565 10 0 BDAELP CC[C@@H]1CS[C@@]2(C[NH2+]C[C@@H](C)C2)[NH2+]1 ZINC000401709547 371800308 /nfs/dbraw/zinc/80/03/08/371800308.db2.gz UUZPWTRIOYYPHQ-AEJSXWLSSA-N 2 2 200.351 1.427 10 0 BDAELP Cc1nccnc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000631823427 372600010 /nfs/dbraw/zinc/60/00/10/372600010.db2.gz DKSYLYMKQWQCBO-GFCCVEGCSA-N 2 2 234.347 1.359 10 0 BDAELP Cc1nccnc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000631823427 372600014 /nfs/dbraw/zinc/60/00/14/372600014.db2.gz DKSYLYMKQWQCBO-GFCCVEGCSA-N 2 2 234.347 1.359 10 0 BDAELP Cc1nc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)oc1C ZINC000631840015 372635338 /nfs/dbraw/zinc/63/53/38/372635338.db2.gz OHFOFPPZTQAWFJ-GZMMTYOYSA-N 2 2 223.320 1.318 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)oc1C ZINC000631840015 372635345 /nfs/dbraw/zinc/63/53/45/372635345.db2.gz OHFOFPPZTQAWFJ-GZMMTYOYSA-N 2 2 223.320 1.318 10 0 BDAELP O=C1NCC[C@H]1[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328685592 183025920 /nfs/dbraw/zinc/02/59/20/183025920.db2.gz XPKJAEGMZZRHHY-NWDGAFQWSA-N 2 2 247.298 1.264 10 0 BDAELP O=C1NCC[C@H]1[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328685592 183025923 /nfs/dbraw/zinc/02/59/23/183025923.db2.gz XPKJAEGMZZRHHY-NWDGAFQWSA-N 2 2 247.298 1.264 10 0 BDAELP CCC[N@H+]([C@@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043638428 169091301 /nfs/dbraw/zinc/09/13/01/169091301.db2.gz MKCDBKUKTKEKKW-NSHDSACASA-N 2 2 242.363 1.402 10 0 BDAELP CCC[N@@H+]([C@@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043638428 169091303 /nfs/dbraw/zinc/09/13/03/169091303.db2.gz MKCDBKUKTKEKKW-NSHDSACASA-N 2 2 242.363 1.402 10 0 BDAELP O[C@H]1C[NH2+]C[C@@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000104252397 183245129 /nfs/dbraw/zinc/24/51/29/183245129.db2.gz SLUGHIBCDOEJAZ-STQMWFEESA-N 2 2 238.375 1.365 10 0 BDAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@@H+]1CCCOCC1 ZINC000061918072 169290928 /nfs/dbraw/zinc/29/09/28/169290928.db2.gz HABKTABWWIIDAM-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP CCC[NH2+][C@H]1CCC[C@@H]1[N@H+]1CCCOCC1 ZINC000061918072 169290930 /nfs/dbraw/zinc/29/09/30/169290930.db2.gz HABKTABWWIIDAM-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP [NH3+]Cc1nc(C2([NH3+])CCCCCC2)no1 ZINC000068577220 383998761 /nfs/dbraw/zinc/99/87/61/383998761.db2.gz MNZRAVQPHGIDBI-UHFFFAOYSA-N 2 2 210.281 1.037 10 0 BDAELP C[C@@H]([NH3+])[C@H](c1cccs1)n1cc[nH+]c1 ZINC000043106999 384199166 /nfs/dbraw/zinc/19/91/66/384199166.db2.gz JKCXSVVELOGKFU-PSASIEDQSA-N 2 2 207.302 1.881 10 0 BDAELP CN(c1[nH]c2ccccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000095070569 384336489 /nfs/dbraw/zinc/33/64/89/384336489.db2.gz QZGFRQOVVKZGOV-JTQLQIEISA-N 2 2 230.315 1.751 10 0 BDAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]CC(=O)c1ccc[nH]1 ZINC000095072254 384343159 /nfs/dbraw/zinc/34/31/59/384343159.db2.gz ACAJSXNPYXYJEC-ZJUUUORDSA-N 2 2 221.304 1.057 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC000308829966 384328636 /nfs/dbraw/zinc/32/86/36/384328636.db2.gz ADJQVXZANAYDDZ-RKDXNWHRSA-N 2 2 223.345 1.362 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000308829966 384328638 /nfs/dbraw/zinc/32/86/38/384328638.db2.gz ADJQVXZANAYDDZ-RKDXNWHRSA-N 2 2 223.345 1.362 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000044470344 384733095 /nfs/dbraw/zinc/73/30/95/384733095.db2.gz DAPFBRCCNZYDCI-MRVPVSSYSA-N 2 2 233.084 1.547 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(OC(F)(F)F)ccc1F ZINC000044473157 384742807 /nfs/dbraw/zinc/74/28/07/384742807.db2.gz FMVZANJOPWWEPI-QMMMGPOBSA-N 2 2 238.184 1.683 10 0 BDAELP Cc1cc(Br)ccc1[C@@H]([NH3+])C[NH3+] ZINC000072201228 384816413 /nfs/dbraw/zinc/81/64/13/384816413.db2.gz JRSNNRLUXPUAAS-VIFPVBQESA-N 2 2 229.121 1.716 10 0 BDAELP CNc1cc(N2CCC[C@H]2C[NH2+]C(C)C)nc[nH+]1 ZINC000105909034 384886614 /nfs/dbraw/zinc/88/66/14/384886614.db2.gz NSEABTQSKRJVQJ-NSHDSACASA-N 2 2 249.362 1.485 10 0 BDAELP C[NH+](C)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000171925379 385533661 /nfs/dbraw/zinc/53/36/61/385533661.db2.gz JPDKKPLSJGGBAA-LLVKDONJSA-N 2 2 232.331 1.494 10 0 BDAELP Cc1[nH+]cccc1Cn1cc(C(C)(C)[NH3+])nn1 ZINC000310247322 386168823 /nfs/dbraw/zinc/16/88/23/386168823.db2.gz FCCCPRMQKBVNLE-UHFFFAOYSA-N 2 2 231.303 1.224 10 0 BDAELP C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2[N@@H+]1Cc1ccccc1 ZINC000238855030 386537259 /nfs/dbraw/zinc/53/72/59/386537259.db2.gz QEZGAANBMURYQX-MRVWCRGKSA-N 2 2 216.328 1.869 10 0 BDAELP C[C@@H]1C[C@@H]2C[NH2+]C[C@H]2[N@H+]1Cc1ccccc1 ZINC000238855030 386537263 /nfs/dbraw/zinc/53/72/63/386537263.db2.gz QEZGAANBMURYQX-MRVWCRGKSA-N 2 2 216.328 1.869 10 0 BDAELP C[C@H]1CC[NH2+][C@@]2(CCC[NH2+]CC2)S1 ZINC000575577481 387036598 /nfs/dbraw/zinc/03/65/98/387036598.db2.gz ZAGHNZMZBMKXBL-UWVGGRQHSA-N 2 2 200.351 1.571 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccsc1Br ZINC000575583472 387057454 /nfs/dbraw/zinc/05/74/54/387057454.db2.gz LWMGBTGWWDHZTN-YFKPBYRVSA-N 2 2 221.123 1.469 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000400578352 387136777 /nfs/dbraw/zinc/13/67/77/387136777.db2.gz PRVYCXAZVJTPIO-SRVKXCTJSA-N 3 2 225.380 1.057 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578352 387136782 /nfs/dbraw/zinc/13/67/82/387136782.db2.gz PRVYCXAZVJTPIO-SRVKXCTJSA-N 3 2 225.380 1.057 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CSCC[NH2+]2)[C@@H]1C ZINC000575591900 387217321 /nfs/dbraw/zinc/21/73/21/387217321.db2.gz MYWUBQAOEVEMIO-BBBLOLIVSA-N 2 2 200.351 1.032 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CSCC[NH2+]2)[C@@H]1C ZINC000575591900 387217327 /nfs/dbraw/zinc/21/73/27/387217327.db2.gz MYWUBQAOEVEMIO-BBBLOLIVSA-N 2 2 200.351 1.032 10 0 BDAELP Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000124105888 387605031 /nfs/dbraw/zinc/60/50/31/387605031.db2.gz CRHAVRLUMUVYKF-CHWSQXEVSA-N 2 2 248.374 1.406 10 0 BDAELP Cc1cnn(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000124105888 387605034 /nfs/dbraw/zinc/60/50/34/387605034.db2.gz CRHAVRLUMUVYKF-CHWSQXEVSA-N 2 2 248.374 1.406 10 0 BDAELP Fc1cccc(CC[NH2+][C@@H]2CC[NH2+]C2)c1F ZINC000422958586 387812363 /nfs/dbraw/zinc/81/23/63/387812363.db2.gz PNWVHXXKLXDJBB-SNVBAGLBSA-N 2 2 226.270 1.459 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cnn(C)c1 ZINC000396646504 387927829 /nfs/dbraw/zinc/92/78/29/387927829.db2.gz CGOSDLDIDVUVIE-HOSYDEDBSA-N 2 2 222.336 1.211 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000335595622 388451508 /nfs/dbraw/zinc/45/15/08/388451508.db2.gz FGPDODVZUPFFDU-MNOVXSKESA-N 2 2 233.315 1.139 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000328371081 388413011 /nfs/dbraw/zinc/41/30/11/388413011.db2.gz SDRSFUAJRAXDRK-STQMWFEESA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)C1 ZINC000328371081 388413014 /nfs/dbraw/zinc/41/30/14/388413014.db2.gz SDRSFUAJRAXDRK-STQMWFEESA-N 2 2 226.364 1.485 10 0 BDAELP CC[C@H]([NH3+])C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000041681584 388439099 /nfs/dbraw/zinc/43/90/99/388439099.db2.gz YPWIAEINWYWKLM-UWVGGRQHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H]([NH3+])C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000041681584 388439101 /nfs/dbraw/zinc/43/91/01/388439101.db2.gz YPWIAEINWYWKLM-UWVGGRQHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000517918249 388597545 /nfs/dbraw/zinc/59/75/45/388597545.db2.gz ADYZANLHZWPYLT-MJBXVCDLSA-N 3 2 241.423 1.694 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127854744 388733255 /nfs/dbraw/zinc/73/32/55/388733255.db2.gz YSTANZRNDZXVRM-OCCSQVGLSA-N 2 2 238.375 1.651 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000127854744 388733258 /nfs/dbraw/zinc/73/32/58/388733258.db2.gz YSTANZRNDZXVRM-OCCSQVGLSA-N 2 2 238.375 1.651 10 0 BDAELP CCc1[nH+]c(C)nc(N2CC[NH2+]CC2)c1C ZINC000045950768 132299264 /nfs/dbraw/zinc/29/92/64/132299264.db2.gz HDDIBRWHJKGPGO-UHFFFAOYSA-N 2 2 220.320 1.065 10 0 BDAELP C[C@@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400318148 533392642 /nfs/dbraw/zinc/39/26/42/533392642.db2.gz AULDSAYYCLLPOH-CHWSQXEVSA-N 3 2 239.407 1.448 10 0 BDAELP C[C@@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400318148 533392648 /nfs/dbraw/zinc/39/26/48/533392648.db2.gz AULDSAYYCLLPOH-CHWSQXEVSA-N 3 2 239.407 1.448 10 0 BDAELP CC[C@H](C)[NH+]1CCN(c2[nH+]cc(N)cc2C)CC1 ZINC000055066650 132365469 /nfs/dbraw/zinc/36/54/69/132365469.db2.gz JVMZAXYYFWPZMU-LBPRGKRZSA-N 2 2 248.374 1.893 10 0 BDAELP [NH3+]CC1CCN(c2cn[nH+]c3ccccc32)CC1 ZINC000062202186 132387516 /nfs/dbraw/zinc/38/75/16/132387516.db2.gz SXISOEPTLVVQPF-UHFFFAOYSA-N 2 2 242.326 1.805 10 0 BDAELP C[C@@H]1CN(c2ccc([NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000071537772 132393708 /nfs/dbraw/zinc/39/37/08/132393708.db2.gz JYACNAKXUKLVEY-NEPJUHHUSA-N 2 2 233.359 1.939 10 0 BDAELP Cc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc[nH+]1 ZINC000235666796 132402119 /nfs/dbraw/zinc/40/21/19/132402119.db2.gz GNWSMICDAJWQRP-GXSJLCMTSA-N 2 2 220.320 1.349 10 0 BDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]cn1C ZINC000179252311 134318782 /nfs/dbraw/zinc/31/87/82/134318782.db2.gz DKNHJPYAVYFDDJ-QWHCGFSZSA-N 2 2 248.374 1.479 10 0 BDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]cn1C ZINC000179252311 134318783 /nfs/dbraw/zinc/31/87/83/134318783.db2.gz DKNHJPYAVYFDDJ-QWHCGFSZSA-N 2 2 248.374 1.479 10 0 BDAELP CC[NH+](CC)CCC[NH2+]Cc1ccnc(C)n1 ZINC000054790057 134771067 /nfs/dbraw/zinc/77/10/67/134771067.db2.gz YAHGIRVXCISFFF-UHFFFAOYSA-N 2 2 236.363 1.607 10 0 BDAELP Cc1cccc(N2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000249362874 135037126 /nfs/dbraw/zinc/03/71/26/135037126.db2.gz TYVOKRQTRNWQKM-LBPRGKRZSA-N 2 2 217.316 1.674 10 0 BDAELP Cc1cccc(N2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000249362874 135037129 /nfs/dbraw/zinc/03/71/29/135037129.db2.gz TYVOKRQTRNWQKM-LBPRGKRZSA-N 2 2 217.316 1.674 10 0 BDAELP Cc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])nc1 ZINC000261541280 135181092 /nfs/dbraw/zinc/18/10/92/135181092.db2.gz JIXOSYYUDOKCPV-FZMZJTMJSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])nc1 ZINC000261541280 135181093 /nfs/dbraw/zinc/18/10/93/135181093.db2.gz JIXOSYYUDOKCPV-FZMZJTMJSA-N 2 2 233.359 1.949 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000261544447 135185088 /nfs/dbraw/zinc/18/50/88/135185088.db2.gz YDZSYFWUFORZKW-YPMHNXCESA-N 2 2 234.343 1.951 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000261544447 135185089 /nfs/dbraw/zinc/18/50/89/135185089.db2.gz YDZSYFWUFORZKW-YPMHNXCESA-N 2 2 234.343 1.951 10 0 BDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccsc1Cl ZINC000261547030 135239671 /nfs/dbraw/zinc/23/96/71/135239671.db2.gz LPWNTTKNAMTFCQ-BDAKNGLRSA-N 2 2 246.763 1.071 10 0 BDAELP [NH3+]C[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000231423238 135604720 /nfs/dbraw/zinc/60/47/20/135604720.db2.gz REIBAHCSMRVBKT-SNVBAGLBSA-N 2 2 223.295 1.391 10 0 BDAELP [NH3+]C[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000231423238 135604721 /nfs/dbraw/zinc/60/47/21/135604721.db2.gz REIBAHCSMRVBKT-SNVBAGLBSA-N 2 2 223.295 1.391 10 0 BDAELP CCn1cc[nH+]c1Cn1cc([C@](C)([NH3+])CC)nn1 ZINC000384140040 398070399 /nfs/dbraw/zinc/07/03/99/398070399.db2.gz DALLJUXHJKVLEJ-GFCCVEGCSA-N 2 2 248.334 1.127 10 0 BDAELP CC(C)c1nc(N[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000107201600 322862003 /nfs/dbraw/zinc/86/20/03/322862003.db2.gz BFXRERVMVKJOIV-SECBINFHSA-N 2 2 206.293 1.374 10 0 BDAELP CC(C)[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000051489958 167121936 /nfs/dbraw/zinc/12/19/36/167121936.db2.gz XARGTHAXDWKARC-UHFFFAOYSA-N 2 2 216.288 1.765 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000309044081 410204908 /nfs/dbraw/zinc/20/49/08/410204908.db2.gz NDXRXRWWLFDCAT-JZRPKSSGSA-N 2 2 210.365 1.961 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@H](C)[C@@H]2C)C1 ZINC000309044081 410204914 /nfs/dbraw/zinc/20/49/14/410204914.db2.gz NDXRXRWWLFDCAT-JZRPKSSGSA-N 2 2 210.365 1.961 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)C1 ZINC000393376701 410679881 /nfs/dbraw/zinc/67/98/81/410679881.db2.gz LVSJIHIQXMLOAO-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)C1 ZINC000393376701 410679884 /nfs/dbraw/zinc/67/98/84/410679884.db2.gz LVSJIHIQXMLOAO-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)C[NH2+]C[C@@H](C)C[N@@H+]1CCOC(C)(C)C1 ZINC000052481766 167005522 /nfs/dbraw/zinc/00/55/22/167005522.db2.gz VAXHHVJDRADTNO-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]C[C@@H](C)C[N@H+]1CCOC(C)(C)C1 ZINC000052481766 167005525 /nfs/dbraw/zinc/00/55/25/167005525.db2.gz VAXHHVJDRADTNO-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)[NH2+]CC[N@H+](C)CCc1ccncc1 ZINC000044342046 167102884 /nfs/dbraw/zinc/10/28/84/167102884.db2.gz MGRMTOFQKDOMDI-UHFFFAOYSA-N 2 2 221.348 1.554 10 0 BDAELP CC(C)[NH2+]CC[N@@H+](C)CCc1ccncc1 ZINC000044342046 167102888 /nfs/dbraw/zinc/10/28/88/167102888.db2.gz MGRMTOFQKDOMDI-UHFFFAOYSA-N 2 2 221.348 1.554 10 0 BDAELP CC(C)[NH2+]CCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000053706864 167103563 /nfs/dbraw/zinc/10/35/63/167103563.db2.gz JZJXYQUPTYDATO-UHFFFAOYSA-N 2 2 232.331 1.997 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000309422726 167106893 /nfs/dbraw/zinc/10/68/93/167106893.db2.gz BFIUVIGVWKEMDZ-CYBMUJFWSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000309422726 167106895 /nfs/dbraw/zinc/10/68/95/167106895.db2.gz BFIUVIGVWKEMDZ-CYBMUJFWSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[NH2+]C[C@H]1CCC[N@@H+]1CCn1cccn1 ZINC000053649086 167114665 /nfs/dbraw/zinc/11/46/65/167114665.db2.gz WPQDRQSRGSOETE-CYBMUJFWSA-N 2 2 236.363 1.346 10 0 BDAELP CC(C)[NH2+]C[C@H]1CCC[N@H+]1CCn1cccn1 ZINC000053649086 167114666 /nfs/dbraw/zinc/11/46/66/167114666.db2.gz WPQDRQSRGSOETE-CYBMUJFWSA-N 2 2 236.363 1.346 10 0 BDAELP CC(C)[NH2+]Cc1cc(-n2cc[nH+]c2)ccn1 ZINC000051490077 167116639 /nfs/dbraw/zinc/11/66/39/167116639.db2.gz GFVWOKZISVIWFI-UHFFFAOYSA-N 2 2 216.288 1.765 10 0 BDAELP CCC[C@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000309515108 411157447 /nfs/dbraw/zinc/15/74/47/411157447.db2.gz YLAUFDHSQWEDKO-YUMQZZPRSA-N 2 2 210.281 1.294 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658036808 411212623 /nfs/dbraw/zinc/21/26/23/411212623.db2.gz RONVKNQJUJCUHP-NEPJUHHUSA-N 2 2 228.405 1.956 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)C1 ZINC000658036808 411212624 /nfs/dbraw/zinc/21/26/24/411212624.db2.gz RONVKNQJUJCUHP-NEPJUHHUSA-N 2 2 228.405 1.956 10 0 BDAELP CN(CC(C)(C)[NH3+])c1[nH]c2ccccc2[nH+]1 ZINC000656607884 411307613 /nfs/dbraw/zinc/30/76/13/411307613.db2.gz AKVRBZUWYLZUAS-UHFFFAOYSA-N 2 2 218.304 1.736 10 0 BDAELP CC[NH2+]C1(c2nc(C)cs2)CC[NH+](C)CC1 ZINC000041061059 170108209 /nfs/dbraw/zinc/10/82/09/170108209.db2.gz MJBHVZBIYAPDQP-UHFFFAOYSA-N 2 2 239.388 1.982 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CC[NH+](CC)C2)C1 ZINC000053031365 170122467 /nfs/dbraw/zinc/12/24/67/170122467.db2.gz LBMDMFAZHLXNME-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CC[NH+](CC)C2)C1 ZINC000053031365 170122469 /nfs/dbraw/zinc/12/24/69/170122469.db2.gz LBMDMFAZHLXNME-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+]C[C@H]1CC[NH+](C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000053031365 170122470 /nfs/dbraw/zinc/12/24/70/170122470.db2.gz LBMDMFAZHLXNME-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+]C[C@H]1CC[NH+](C[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000053031365 170122472 /nfs/dbraw/zinc/12/24/72/170122472.db2.gz LBMDMFAZHLXNME-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP CC[NH2+][C@@H]1C(=O)Nc2cc(-n3cc[nH+]c3)ccc21 ZINC000103966832 170149005 /nfs/dbraw/zinc/14/90/05/170149005.db2.gz HRTBKCUCUYJYAP-LBPRGKRZSA-N 2 2 242.282 1.475 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC000049714253 170152063 /nfs/dbraw/zinc/15/20/63/170152063.db2.gz FOTPOAGFLFXOAC-MELADBBJSA-N 3 2 241.423 1.647 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC000049714253 170152064 /nfs/dbraw/zinc/15/20/64/170152064.db2.gz FOTPOAGFLFXOAC-MELADBBJSA-N 3 2 241.423 1.647 10 0 BDAELP CC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCCCCC1 ZINC000043812252 170169163 /nfs/dbraw/zinc/16/91/63/170169163.db2.gz XCRJYWOFRHHGNA-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP CCOCCC[NH2+]CC[NH+]1CCCCC1 ZINC000041626626 170380207 /nfs/dbraw/zinc/38/02/07/170380207.db2.gz OIDYBLWMCNDJEL-UHFFFAOYSA-N 2 2 214.353 1.489 10 0 BDAELP CCOCC[N@H+](CC)[C@H](C)C[NH2+]CCCOC ZINC000104195578 170395962 /nfs/dbraw/zinc/39/59/62/170395962.db2.gz WQCDUEULKFQMQL-CYBMUJFWSA-N 2 2 246.395 1.359 10 0 BDAELP CCOCC[N@@H+](CC)[C@H](C)C[NH2+]CCCOC ZINC000104195578 170395964 /nfs/dbraw/zinc/39/59/64/170395964.db2.gz WQCDUEULKFQMQL-CYBMUJFWSA-N 2 2 246.395 1.359 10 0 BDAELP CC[N@@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616660766 411857961 /nfs/dbraw/zinc/85/79/61/411857961.db2.gz QEUWUGKWPABRSI-LLVKDONJSA-N 2 2 221.304 1.100 10 0 BDAELP CC[N@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616660766 411857964 /nfs/dbraw/zinc/85/79/64/411857964.db2.gz QEUWUGKWPABRSI-LLVKDONJSA-N 2 2 221.304 1.100 10 0 BDAELP Nc1ccc([C@@H]2CCC[N@H+](CCO)CC2)c[nH+]1 ZINC000616628347 411959361 /nfs/dbraw/zinc/95/93/61/411959361.db2.gz QDUPOKVFCYAIRS-LLVKDONJSA-N 2 2 235.331 1.226 10 0 BDAELP Nc1ccc([C@@H]2CCC[N@@H+](CCO)CC2)c[nH+]1 ZINC000616628347 411959366 /nfs/dbraw/zinc/95/93/66/411959366.db2.gz QDUPOKVFCYAIRS-LLVKDONJSA-N 2 2 235.331 1.226 10 0 BDAELP CC[C@@H]1CC[N@H+](Cc2ccccn2)CC[NH2+]1 ZINC000049662102 171012648 /nfs/dbraw/zinc/01/26/48/171012648.db2.gz AVCFMPLXWAGIRZ-GFCCVEGCSA-N 2 2 219.332 1.656 10 0 BDAELP CC[C@@H]1CC[N@@H+](Cc2ccccn2)CC[NH2+]1 ZINC000049662102 171012650 /nfs/dbraw/zinc/01/26/50/171012650.db2.gz AVCFMPLXWAGIRZ-GFCCVEGCSA-N 2 2 219.332 1.656 10 0 BDAELP CC[C@@H]1C[N@@H+](C2(C[NH3+])CCCC2)CCO1 ZINC000036769520 171074078 /nfs/dbraw/zinc/07/40/78/171074078.db2.gz COEQZZOCJOAMNY-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP CC[C@@H]1C[N@H+](C2(C[NH3+])CCCC2)CCO1 ZINC000036769520 171074080 /nfs/dbraw/zinc/07/40/80/171074080.db2.gz COEQZZOCJOAMNY-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@@H](C[NH3+])C(C)C)CCO1 ZINC000036769366 171093664 /nfs/dbraw/zinc/09/36/64/171093664.db2.gz CAFFNDWPGZWKIC-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC[C@@H]1C[N@H+]([C@@H](C[NH3+])C(C)C)CCO1 ZINC000036769366 171093665 /nfs/dbraw/zinc/09/36/65/171093665.db2.gz CAFFNDWPGZWKIC-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000041051594 171094454 /nfs/dbraw/zinc/09/44/54/171094454.db2.gz CDTUSYMQAJWIJF-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1C[N@H+]([C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000041051594 171094456 /nfs/dbraw/zinc/09/44/56/171094456.db2.gz CDTUSYMQAJWIJF-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@H](C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062248657 171391943 /nfs/dbraw/zinc/39/19/43/171391943.db2.gz HHJXCJLRFCUVMX-QWRGUYRKSA-N 2 2 222.336 1.072 10 0 BDAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCOCC1(C)C ZINC000042461908 171486973 /nfs/dbraw/zinc/48/69/73/171486973.db2.gz AXMKYENRJMYIKC-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCOCC1(C)C ZINC000042461908 171486974 /nfs/dbraw/zinc/48/69/74/171486974.db2.gz AXMKYENRJMYIKC-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP C[C@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000306635825 487623852 /nfs/dbraw/zinc/62/38/52/487623852.db2.gz ALVPRXZEJRPGFM-JSGCOSHPSA-N 2 2 234.343 1.482 10 0 BDAELP C[C@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000306635825 487623858 /nfs/dbraw/zinc/62/38/58/487623858.db2.gz ALVPRXZEJRPGFM-JSGCOSHPSA-N 2 2 234.343 1.482 10 0 BDAELP CCc1[nH+]ccn1Cc1ccc(NC)[nH+]c1 ZINC000050830079 172028449 /nfs/dbraw/zinc/02/84/49/172028449.db2.gz NMVCPGBDBAECSW-UHFFFAOYSA-N 2 2 216.288 1.931 10 0 BDAELP CCn1cc[nH+]c1CN1CCCC[C@@H]1C[NH3+] ZINC000054743838 172219046 /nfs/dbraw/zinc/21/90/46/172219046.db2.gz RNAMMAPVAMZEBR-LLVKDONJSA-N 2 2 222.336 1.216 10 0 BDAELP CCn1cnnc1[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000054497787 172239324 /nfs/dbraw/zinc/23/93/24/172239324.db2.gz LUPDGCUGEMTCLZ-LBPRGKRZSA-N 2 2 249.362 1.187 10 0 BDAELP CCn1cnnc1[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000054497787 172239326 /nfs/dbraw/zinc/23/93/26/172239326.db2.gz LUPDGCUGEMTCLZ-LBPRGKRZSA-N 2 2 249.362 1.187 10 0 BDAELP CCn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000307972437 172245136 /nfs/dbraw/zinc/24/51/36/172245136.db2.gz KXENEMCXFJMKOE-WCQYABFASA-N 2 2 236.363 1.441 10 0 BDAELP CCn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000307972437 172245138 /nfs/dbraw/zinc/24/51/38/172245138.db2.gz KXENEMCXFJMKOE-WCQYABFASA-N 2 2 236.363 1.441 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000054243338 173004959 /nfs/dbraw/zinc/00/49/59/173004959.db2.gz CCZPDKAYDYYGKD-QWHCGFSZSA-N 2 2 226.364 1.487 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000054243338 173004960 /nfs/dbraw/zinc/00/49/60/173004960.db2.gz CCZPDKAYDYYGKD-QWHCGFSZSA-N 2 2 226.364 1.487 10 0 BDAELP CN1CC[NH+]([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022311 173092152 /nfs/dbraw/zinc/09/21/52/173092152.db2.gz XAWKIVGUWUDEJV-ZDUSSCGKSA-N 2 2 246.358 1.301 10 0 BDAELP CNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)[nH+]c1C ZINC000042562044 173295529 /nfs/dbraw/zinc/29/55/29/173295529.db2.gz NTHZVLHFGFDNDE-VXGBXAGGSA-N 2 2 249.358 1.792 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000061319799 173319249 /nfs/dbraw/zinc/31/92/49/173319249.db2.gz NEFIVFZJBGBRAF-SNVBAGLBSA-N 2 2 214.353 1.484 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000061319799 173319251 /nfs/dbraw/zinc/31/92/51/173319251.db2.gz NEFIVFZJBGBRAF-SNVBAGLBSA-N 2 2 214.353 1.484 10 0 BDAELP C[NH2+]CCC[NH2+]Cc1ccncc1Cl ZINC000083347683 173349956 /nfs/dbraw/zinc/34/99/56/173349956.db2.gz PIEFWKMIZZVUPU-UHFFFAOYSA-N 2 2 213.712 1.434 10 0 BDAELP C[NH2+]CCCc1[nH+]c2ccc(F)cc2n1C ZINC000052124405 173351618 /nfs/dbraw/zinc/35/16/18/173351618.db2.gz JDZCLQSCIKCPFE-UHFFFAOYSA-N 2 2 221.279 1.864 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc(F)c(C)c1 ZINC000077337243 173352809 /nfs/dbraw/zinc/35/28/09/173352809.db2.gz BNLWBHPVFYMJAE-UHFFFAOYSA-N 2 2 224.323 1.828 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc(F)c(C)c1 ZINC000077337243 173352811 /nfs/dbraw/zinc/35/28/11/173352811.db2.gz BNLWBHPVFYMJAE-UHFFFAOYSA-N 2 2 224.323 1.828 10 0 BDAELP C[NH2+]CCOCCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000077366798 173357070 /nfs/dbraw/zinc/35/70/70/173357070.db2.gz IRNOFBVOBXWVLR-UHFFFAOYSA-N 2 2 233.315 1.650 10 0 BDAELP C[NH2+]CCOCCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000077366798 173357072 /nfs/dbraw/zinc/35/70/72/173357072.db2.gz IRNOFBVOBXWVLR-UHFFFAOYSA-N 2 2 233.315 1.650 10 0 BDAELP C[NH2+]C[C@@H]1CCCN1Cc1cn2ccccc2[nH+]1 ZINC000042390290 173369941 /nfs/dbraw/zinc/36/99/41/173369941.db2.gz HZVVCVGPDSFNFD-ZDUSSCGKSA-N 2 2 244.342 1.518 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000104132394 173391282 /nfs/dbraw/zinc/39/12/82/173391282.db2.gz ZFXKGYINNOBASY-LLVKDONJSA-N 2 2 237.347 1.135 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@H+]1CCN(C)[C@H](C)C1 ZINC000104132394 173391284 /nfs/dbraw/zinc/39/12/84/173391284.db2.gz ZFXKGYINNOBASY-LLVKDONJSA-N 2 2 237.347 1.135 10 0 BDAELP COCCC[NH2+]CC[NH+]1CCCCC1 ZINC000041210376 174247253 /nfs/dbraw/zinc/24/72/53/174247253.db2.gz JANFGRCDISVXTL-UHFFFAOYSA-N 2 2 200.326 1.098 10 0 BDAELP COCC[NH2+][C@]1(C[NH3+])CCCc2ccccc21 ZINC000053255907 174341130 /nfs/dbraw/zinc/34/11/30/174341130.db2.gz GMSQSINTYIAMDD-AWEZNQCLSA-N 2 2 234.343 1.413 10 0 BDAELP COc1ccc(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050250218 175053471 /nfs/dbraw/zinc/05/34/71/175053471.db2.gz DWDBOIVCBOXNII-LLVKDONJSA-N 2 2 248.326 1.159 10 0 BDAELP COc1ccc(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050250218 175053474 /nfs/dbraw/zinc/05/34/74/175053474.db2.gz DWDBOIVCBOXNII-LLVKDONJSA-N 2 2 248.326 1.159 10 0 BDAELP COc1ccc(CC[NH2+]CC[NH+](C)C)cc1 ZINC000020044617 175091558 /nfs/dbraw/zinc/09/15/58/175091558.db2.gz KJVMVQGKTSUPJW-UHFFFAOYSA-N 2 2 222.332 1.389 10 0 BDAELP COc1ccc([C@@H]([NH3+])C[NH+]2CCCC2)cc1F ZINC000020260099 175179946 /nfs/dbraw/zinc/17/99/46/175179946.db2.gz WJCQYCBKNJPVHC-LBPRGKRZSA-N 2 2 238.306 1.930 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000095068296 176016658 /nfs/dbraw/zinc/01/66/58/176016658.db2.gz IQQMOMUKMGXIKN-WDEREUQCSA-N 2 2 207.321 1.889 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000095068296 176016660 /nfs/dbraw/zinc/01/66/60/176016660.db2.gz IQQMOMUKMGXIKN-WDEREUQCSA-N 2 2 207.321 1.889 10 0 BDAELP C[C@@H](c1ccc2c(c1)OCO2)[N@@H+]1CCC[NH2+]CC1 ZINC000022101721 176016982 /nfs/dbraw/zinc/01/69/82/176016982.db2.gz OEBBLUMERXFIQH-NSHDSACASA-N 2 2 248.326 1.772 10 0 BDAELP C[C@@H](c1ccc2c(c1)OCO2)[N@H+]1CCC[NH2+]CC1 ZINC000022101721 176016984 /nfs/dbraw/zinc/01/69/84/176016984.db2.gz OEBBLUMERXFIQH-NSHDSACASA-N 2 2 248.326 1.772 10 0 BDAELP C[C@@H](c1ccccn1)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662174 176027505 /nfs/dbraw/zinc/02/75/05/176027505.db2.gz UPBCRYOKAMZKHR-NEPJUHHUSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@@H](c1ccccn1)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662174 176027506 /nfs/dbraw/zinc/02/75/06/176027506.db2.gz UPBCRYOKAMZKHR-NEPJUHHUSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@@H](c1nccs1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256757 176039683 /nfs/dbraw/zinc/03/96/83/176039683.db2.gz AXCMZDZIGLGXPP-IUCAKERBSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@@H](c1nccs1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000100256757 176039685 /nfs/dbraw/zinc/03/96/85/176039685.db2.gz AXCMZDZIGLGXPP-IUCAKERBSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@@H]1CC(C)(C)C[C@@](C[NH3+])([NH+]2CCOCC2)C1 ZINC000019435789 176052205 /nfs/dbraw/zinc/05/22/05/176052205.db2.gz YNXXLWSDNICBRK-OCCSQVGLSA-N 2 2 240.391 1.862 10 0 BDAELP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCOCC1 ZINC000019517421 176083509 /nfs/dbraw/zinc/08/35/09/176083509.db2.gz LYKFITVJWCMUFF-NEPJUHHUSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000043353877 176110709 /nfs/dbraw/zinc/11/07/09/176110709.db2.gz NYRAXXZGKGPGBG-PWSUYJOCSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccncc1 ZINC000043353877 176110711 /nfs/dbraw/zinc/11/07/11/176110711.db2.gz NYRAXXZGKGPGBG-PWSUYJOCSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000309750807 176274719 /nfs/dbraw/zinc/27/47/19/176274719.db2.gz GQTDRISCAZHIJC-XQHKEYJVSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000309750807 176274720 /nfs/dbraw/zinc/27/47/20/176274720.db2.gz GQTDRISCAZHIJC-XQHKEYJVSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCCCCC1 ZINC000035774970 176335941 /nfs/dbraw/zinc/33/59/41/176335941.db2.gz PYZNAKZNZCUTAE-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP C[C@@H]1COCC[N@H+]1C1(C[NH3+])CCCCCC1 ZINC000035774970 176335944 /nfs/dbraw/zinc/33/59/44/176335944.db2.gz PYZNAKZNZCUTAE-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000095068167 177035702 /nfs/dbraw/zinc/03/57/02/177035702.db2.gz VAHGJVVJTPYPEC-GHMZBOCLSA-N 2 2 207.321 1.760 10 0 BDAELP C[C@H](c1ccc[nH]1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000095068167 177035703 /nfs/dbraw/zinc/03/57/03/177035703.db2.gz VAHGJVVJTPYPEC-GHMZBOCLSA-N 2 2 207.321 1.760 10 0 BDAELP C[C@H]1CCCC[N@@H+]1[C@@H](C[NH3+])c1cccnc1 ZINC000022220104 177078987 /nfs/dbraw/zinc/07/89/87/177078987.db2.gz UUSFDSHCVAQPRZ-AAEUAGOBSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@H]1CCCC[N@H+]1[C@@H](C[NH3+])c1cccnc1 ZINC000022220104 177078989 /nfs/dbraw/zinc/07/89/89/177078989.db2.gz UUSFDSHCVAQPRZ-AAEUAGOBSA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H]1CC[N@@H+](CCC[NH+](C)C)CC[C@H](C)[NH2+]1 ZINC000049666101 177159893 /nfs/dbraw/zinc/15/98/93/177159893.db2.gz JQQDRCHFENLOQP-BETUJISGSA-N 3 2 227.396 1.401 10 0 BDAELP C[C@@H]1CC[N@H+](CCC[NH+](C)C)CC[C@H](C)[NH2+]1 ZINC000049666101 177159895 /nfs/dbraw/zinc/15/98/95/177159895.db2.gz JQQDRCHFENLOQP-BETUJISGSA-N 3 2 227.396 1.401 10 0 BDAELP C[C@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000043353932 177170498 /nfs/dbraw/zinc/17/04/98/177170498.db2.gz CRFHSTVMUAYGTJ-JQWIXIFHSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@H]1CC[N@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000043353932 177170500 /nfs/dbraw/zinc/17/05/00/177170500.db2.gz CRFHSTVMUAYGTJ-JQWIXIFHSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ncccn1 ZINC000054460298 177189952 /nfs/dbraw/zinc/18/99/52/177189952.db2.gz AMZXIBDOSNOIKW-QWRGUYRKSA-N 2 2 220.320 1.036 10 0 BDAELP C[C@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ncccn1 ZINC000054460298 177189953 /nfs/dbraw/zinc/18/99/53/177189953.db2.gz AMZXIBDOSNOIKW-QWRGUYRKSA-N 2 2 220.320 1.036 10 0 BDAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1CCCn1cc[nH+]c1 ZINC000042427520 177201388 /nfs/dbraw/zinc/20/13/88/177201388.db2.gz NSKIDNQVPWKJAO-QWHCGFSZSA-N 3 2 236.363 1.332 10 0 BDAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1CCCn1cc[nH+]c1 ZINC000042427520 177201390 /nfs/dbraw/zinc/20/13/90/177201390.db2.gz NSKIDNQVPWKJAO-QWHCGFSZSA-N 3 2 236.363 1.332 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCSCC2)C[C@H](C)O1 ZINC000042334902 177241162 /nfs/dbraw/zinc/24/11/62/177241162.db2.gz VMAMFUGCWMBGTK-PHIMTYICSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCSCC2)C[C@H](C)O1 ZINC000042334902 177241164 /nfs/dbraw/zinc/24/11/64/177241164.db2.gz VMAMFUGCWMBGTK-PHIMTYICSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000042171748 177254012 /nfs/dbraw/zinc/25/40/12/177254012.db2.gz XSFDNQKKICPKOA-TUAOUCFPSA-N 2 2 212.337 1.238 10 0 BDAELP C[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000042171748 177254013 /nfs/dbraw/zinc/25/40/13/177254013.db2.gz XSFDNQKKICPKOA-TUAOUCFPSA-N 2 2 212.337 1.238 10 0 BDAELP C[C@H]1C[NH+](CC[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000034924605 177254624 /nfs/dbraw/zinc/25/46/24/177254624.db2.gz KQGUQLJEJBDBSF-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@H]1CN(c2cc(C)[nH+]cn2)CC[C@H]1[NH3+] ZINC000251847576 487803291 /nfs/dbraw/zinc/80/32/91/487803291.db2.gz RKTUSLJEHNPDHE-WDEREUQCSA-N 2 2 220.320 1.349 10 0 BDAELP CC(C)[N@H+]1C[C@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000127854989 323005812 /nfs/dbraw/zinc/00/58/12/323005812.db2.gz YSTANZRNDZXVRM-JSGCOSHPSA-N 2 2 238.375 1.651 10 0 BDAELP CC(C)[N@@H+]1C[C@H]([NH2+]CC2=CCCOC2)[C@@H](C)C1 ZINC000127854989 323005813 /nfs/dbraw/zinc/00/58/13/323005813.db2.gz YSTANZRNDZXVRM-JSGCOSHPSA-N 2 2 238.375 1.651 10 0 BDAELP COC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000228295140 323082158 /nfs/dbraw/zinc/08/21/58/323082158.db2.gz XMVJPTFBBLXTJR-SDDRHHMPSA-N 2 2 214.353 1.340 10 0 BDAELP COC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000228295140 323082159 /nfs/dbraw/zinc/08/21/59/323082159.db2.gz XMVJPTFBBLXTJR-SDDRHHMPSA-N 2 2 214.353 1.340 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399239187 323201414 /nfs/dbraw/zinc/20/14/14/323201414.db2.gz IBZLQTXVQNLXBN-JQWIXIFHSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399239187 323201415 /nfs/dbraw/zinc/20/14/15/323201415.db2.gz IBZLQTXVQNLXBN-JQWIXIFHSA-N 2 2 223.320 1.037 10 0 BDAELP c1ccc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC000253596437 324191763 /nfs/dbraw/zinc/19/17/63/324191763.db2.gz RELYYHJESFSLRE-AAEUAGOBSA-N 2 2 233.315 1.405 10 0 BDAELP Cc1cc(NCCC2CC[NH2+]CC2)nc[nH+]1 ZINC000257665716 488078029 /nfs/dbraw/zinc/07/80/29/488078029.db2.gz XVXCCBFFHMJICR-UHFFFAOYSA-N 2 2 220.320 1.587 10 0 BDAELP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)[NH+](C)C ZINC000400350163 528532851 /nfs/dbraw/zinc/53/28/51/528532851.db2.gz JRFYCFGKHUAAIM-MGPQQGTHSA-N 3 2 241.423 1.550 10 0 BDAELP CC(C)[C@H]([NH3+])CCN(C)c1cccc[nH+]1 ZINC000227738372 535067860 /nfs/dbraw/zinc/06/78/60/535067860.db2.gz QDLUIEMFWKCEMU-LLVKDONJSA-N 2 2 207.321 1.891 10 0 BDAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567070 535647368 /nfs/dbraw/zinc/64/73/68/535647368.db2.gz ZMRFKQWEODNRRR-QWRGUYRKSA-N 2 2 242.363 1.387 10 0 BDAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261567070 535647371 /nfs/dbraw/zinc/64/73/71/535647371.db2.gz ZMRFKQWEODNRRR-QWRGUYRKSA-N 2 2 242.363 1.387 10 0 BDAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567071 535647714 /nfs/dbraw/zinc/64/77/14/535647714.db2.gz ZMRFKQWEODNRRR-WDEREUQCSA-N 2 2 242.363 1.387 10 0 BDAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261567071 535647717 /nfs/dbraw/zinc/64/77/17/535647717.db2.gz ZMRFKQWEODNRRR-WDEREUQCSA-N 2 2 242.363 1.387 10 0 BDAELP C[C@@H]1C[NH2+]C[C@]12C[N@@H+](C(C)(C)C)CCC2=O ZINC000725245686 538003246 /nfs/dbraw/zinc/00/32/46/538003246.db2.gz LPCQLUWVRAXSLB-MFKMUULPSA-N 2 2 224.348 1.285 10 0 BDAELP C[C@@H]1C[NH2+]C[C@]12C[N@H+](C(C)(C)C)CCC2=O ZINC000725245686 538003250 /nfs/dbraw/zinc/00/32/50/538003250.db2.gz LPCQLUWVRAXSLB-MFKMUULPSA-N 2 2 224.348 1.285 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757133891 582510169 /nfs/dbraw/zinc/51/01/69/582510169.db2.gz VMMPYNOTRYCLQZ-SDDRHHMPSA-N 2 2 214.328 1.808 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757133891 582510171 /nfs/dbraw/zinc/51/01/71/582510171.db2.gz VMMPYNOTRYCLQZ-SDDRHHMPSA-N 2 2 214.328 1.808 10 0 BDAELP [NH3+][C@@H](CO)Cc1cn(C2CCCCC2)c[nH+]1 ZINC000757185256 582554718 /nfs/dbraw/zinc/55/47/18/582554718.db2.gz BYKYYRKTDCSNOU-SNVBAGLBSA-N 2 2 223.320 1.250 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000394581314 582995209 /nfs/dbraw/zinc/99/52/09/582995209.db2.gz ZDCVDLBIRRZREU-CHWSQXEVSA-N 2 2 228.380 1.611 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCCCO)C1 ZINC000394581314 582995210 /nfs/dbraw/zinc/99/52/10/582995210.db2.gz ZDCVDLBIRRZREU-CHWSQXEVSA-N 2 2 228.380 1.611 10 0 BDAELP CC(C)(C)[C@H]1CCO[C@@]2(CCC[NH2+]C2)[NH2+]1 ZINC000757138954 586427564 /nfs/dbraw/zinc/42/75/64/586427564.db2.gz AEVAMCDCKKJHKY-ZYHUDNBSSA-N 2 2 212.337 1.491 10 0 BDAELP CC(=O)c1ccc([C@@H]2CC[C@@H]([NH3+])C[NH2+]2)cc1 ZINC000757215037 586440229 /nfs/dbraw/zinc/44/02/29/586440229.db2.gz MGLLWJBADLJQJV-OLZOCXBDSA-N 2 2 218.300 1.641 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cccc(C=O)c2)[NH2+]1 ZINC000757216800 586441132 /nfs/dbraw/zinc/44/11/32/586441132.db2.gz QCDGGOYPNRXIBO-JIMOISOXSA-N 2 2 218.300 1.639 10 0 BDAELP C[C@@H]1[NH2+][C@H](c2cccc(C=O)c2)CC[C@H]1[NH3+] ZINC000757217455 586441680 /nfs/dbraw/zinc/44/16/80/586441680.db2.gz RUMWKIWYBQBFRZ-BIMULSAOSA-N 2 2 218.300 1.639 10 0 BDAELP [NH3+][C@H]1CC[C@H](c2ccc(C=O)s2)[NH2+]C1 ZINC000757220808 586442043 /nfs/dbraw/zinc/44/20/43/586442043.db2.gz ZNUHAIHLLBYYAY-IONNQARKSA-N 2 2 210.302 1.312 10 0 BDAELP CC(C)(C)n1ncc2c1nc[nH+]c2NCCC[NH3+] ZINC000062202064 641025973 /nfs/dbraw/zinc/02/59/73/641025973.db2.gz ZWYFLKJZSJWBJM-UHFFFAOYSA-N 2 2 248.334 1.342 10 0 BDAELP CCC[N@H+](C[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000249981679 644744519 /nfs/dbraw/zinc/74/45/19/644744519.db2.gz MFMKAULXIJFOBV-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CCC[N@@H+](C[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000249981679 644744525 /nfs/dbraw/zinc/74/45/25/644744525.db2.gz MFMKAULXIJFOBV-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1[NH3+] ZINC000715505605 712524018 /nfs/dbraw/zinc/52/40/18/712524018.db2.gz XZKGNJBYVQSIEK-LPTSXCQYSA-N 2 2 224.348 1.223 10 0 BDAELP CC(C)c1cnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000708874098 712201706 /nfs/dbraw/zinc/20/17/06/712201706.db2.gz CQRDVBPAGNVFIW-MNOVXSKESA-N 2 2 237.347 1.825 10 0 BDAELP CC(C)c1cnc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000708874098 712201711 /nfs/dbraw/zinc/20/17/11/712201711.db2.gz CQRDVBPAGNVFIW-MNOVXSKESA-N 2 2 237.347 1.825 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C[C@@H]1[NH3+] ZINC000715505605 712524017 /nfs/dbraw/zinc/52/40/17/712524017.db2.gz XZKGNJBYVQSIEK-LPTSXCQYSA-N 2 2 224.348 1.223 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1[NH3+] ZINC000716295886 712553759 /nfs/dbraw/zinc/55/37/59/712553759.db2.gz SLRNDOHPFULNNP-AGIUHOORSA-N 2 2 238.375 1.615 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C[C@@H]1[NH3+] ZINC000716295886 712553760 /nfs/dbraw/zinc/55/37/60/712553760.db2.gz SLRNDOHPFULNNP-AGIUHOORSA-N 2 2 238.375 1.615 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461561 168322217 /nfs/dbraw/zinc/32/22/17/168322217.db2.gz ZQZWHCOHDSUZSB-UHFFFAOYSA-N 2 2 214.353 1.615 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461561 168322221 /nfs/dbraw/zinc/32/22/21/168322221.db2.gz ZQZWHCOHDSUZSB-UHFFFAOYSA-N 2 2 214.353 1.615 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616615375 398174227 /nfs/dbraw/zinc/17/42/27/398174227.db2.gz XHNRVTIVFVLGSI-OAHLLOKOSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616615375 398174231 /nfs/dbraw/zinc/17/42/31/398174231.db2.gz XHNRVTIVFVLGSI-OAHLLOKOSA-N 2 2 248.370 1.707 10 0 BDAELP Cc1cc(Cl)c2[nH+]cc(CC[NH3+])n2c1 ZINC000082694252 178062657 /nfs/dbraw/zinc/06/26/57/178062657.db2.gz MRTKTYIVYKQCBB-UHFFFAOYSA-N 2 2 209.680 1.797 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386684748 398216477 /nfs/dbraw/zinc/21/64/77/398216477.db2.gz YBRRUDJNTWZLST-UONOGXRCSA-N 2 2 240.391 1.611 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386684748 398216483 /nfs/dbraw/zinc/21/64/83/398216483.db2.gz YBRRUDJNTWZLST-UONOGXRCSA-N 2 2 240.391 1.611 10 0 BDAELP Cc1cc([C@@H]([NH3+])Cn2cc[nH+]c2)cs1 ZINC000306642893 361774537 /nfs/dbraw/zinc/77/45/37/361774537.db2.gz VEGRTMDTOLAUGB-JTQLQIEISA-N 2 2 207.302 1.953 10 0 BDAELP Cc1cc([C@H]([NH3+])C[NH3+])ccc1Br ZINC000072201219 178262918 /nfs/dbraw/zinc/26/29/18/178262918.db2.gz LIAPTMOWUWQWNN-SECBINFHSA-N 2 2 229.121 1.716 10 0 BDAELP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2CO)c[nH+]1 ZINC000378795945 346835123 /nfs/dbraw/zinc/83/51/23/346835123.db2.gz QNOKEKQPCXQRCR-QWHCGFSZSA-N 2 2 220.316 1.293 10 0 BDAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1(F)CC1 ZINC000306657057 361867065 /nfs/dbraw/zinc/86/70/65/361867065.db2.gz HRFLBYWLAYPEML-NXEZZACHSA-N 2 2 200.301 1.690 10 0 BDAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000306657057 361867072 /nfs/dbraw/zinc/86/70/72/361867072.db2.gz HRFLBYWLAYPEML-NXEZZACHSA-N 2 2 200.301 1.690 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000035783241 342759003 /nfs/dbraw/zinc/75/90/03/342759003.db2.gz RNNMLPMFMPAYGE-MXWKQRLJSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000035783241 342759005 /nfs/dbraw/zinc/75/90/05/342759005.db2.gz RNNMLPMFMPAYGE-MXWKQRLJSA-N 2 2 200.326 1.079 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2CC2=CCCOC2)c[nH+]1 ZINC000188413893 538978879 /nfs/dbraw/zinc/97/88/79/538978879.db2.gz GMRPAQMFBNFHEJ-AWEZNQCLSA-N 2 2 247.342 1.694 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2CC2=CCCOC2)c[nH+]1 ZINC000188413893 538978881 /nfs/dbraw/zinc/97/88/81/538978881.db2.gz GMRPAQMFBNFHEJ-AWEZNQCLSA-N 2 2 247.342 1.694 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CCC[C@@H]([NH3+])C1 ZINC000336297640 398317798 /nfs/dbraw/zinc/31/77/98/398317798.db2.gz OJWJHSGBRZCVKB-LLVKDONJSA-N 2 2 222.336 1.387 10 0 BDAELP CC(C)c1nc(N(C)[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000212403685 343130572 /nfs/dbraw/zinc/13/05/72/343130572.db2.gz VDXHGCQEYZRMBH-JTQLQIEISA-N 2 2 220.320 1.398 10 0 BDAELP C[NH2+][C@@H](C)c1cn(Cc2[nH+]ccn2C(C)C)nn1 ZINC000641050574 362164468 /nfs/dbraw/zinc/16/44/68/362164468.db2.gz AUYRPWCAYYZWFN-JTQLQIEISA-N 2 2 248.334 1.384 10 0 BDAELP COCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178330061 346952198 /nfs/dbraw/zinc/95/21/98/346952198.db2.gz ZSVGVKCAPMOWIY-ZDUSSCGKSA-N 2 2 237.347 1.692 10 0 BDAELP COCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178330061 346952202 /nfs/dbraw/zinc/95/22/02/346952202.db2.gz ZSVGVKCAPMOWIY-ZDUSSCGKSA-N 2 2 237.347 1.692 10 0 BDAELP CC(C)([NH3+])COc1ccc(-n2cc[nH+]c2)cc1 ZINC000199574002 343700627 /nfs/dbraw/zinc/70/06/27/343700627.db2.gz FRWLKZPQIVLQEQ-UHFFFAOYSA-N 2 2 231.299 1.988 10 0 BDAELP COc1cccc2c1OCC[N@H+](CCC[NH3+])C2 ZINC000214326620 343792277 /nfs/dbraw/zinc/79/22/77/343792277.db2.gz JLKVQTVNBMNASZ-UHFFFAOYSA-N 2 2 236.315 1.238 10 0 BDAELP COc1cccc2c1OCC[N@@H+](CCC[NH3+])C2 ZINC000214326620 343792279 /nfs/dbraw/zinc/79/22/79/343792279.db2.gz JLKVQTVNBMNASZ-UHFFFAOYSA-N 2 2 236.315 1.238 10 0 BDAELP CCOC[C@H]1C[N@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409425715 343820554 /nfs/dbraw/zinc/82/05/54/343820554.db2.gz BEHBLPCGCMVSIZ-BDAKNGLRSA-N 2 2 240.269 1.092 10 0 BDAELP CCOC[C@H]1C[N@@H+](CC[NH3+])C[C@@H]1C(F)(F)F ZINC000409425715 343820555 /nfs/dbraw/zinc/82/05/55/343820555.db2.gz BEHBLPCGCMVSIZ-BDAKNGLRSA-N 2 2 240.269 1.092 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])C[N@H+](C[Si](C)(C)C)C1 ZINC000401868953 343917379 /nfs/dbraw/zinc/91/73/79/343917379.db2.gz VBSWPIJILSGIHJ-NXEZZACHSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868953 343917381 /nfs/dbraw/zinc/91/73/81/343917381.db2.gz VBSWPIJILSGIHJ-NXEZZACHSA-N 2 2 200.402 1.533 10 0 BDAELP Cc1cnccc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000385029692 344300556 /nfs/dbraw/zinc/30/05/56/344300556.db2.gz KIJIYRBEGZJRIW-PWSUYJOCSA-N 2 2 205.305 1.312 10 0 BDAELP Cc1cnccc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000385029692 344300558 /nfs/dbraw/zinc/30/05/58/344300558.db2.gz KIJIYRBEGZJRIW-PWSUYJOCSA-N 2 2 205.305 1.312 10 0 BDAELP CC1=CC[N@H+](C[C@@H]2CSCC[NH2+]2)CC1 ZINC000166160141 344750217 /nfs/dbraw/zinc/75/02/17/344750217.db2.gz WTMKCCDTUPFCBI-LLVKDONJSA-N 2 2 212.362 1.343 10 0 BDAELP CC1=CC[N@@H+](C[C@@H]2CSCC[NH2+]2)CC1 ZINC000166160141 344750219 /nfs/dbraw/zinc/75/02/19/344750219.db2.gz WTMKCCDTUPFCBI-LLVKDONJSA-N 2 2 212.362 1.343 10 0 BDAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1cccc(O)c1 ZINC000011848847 345031252 /nfs/dbraw/zinc/03/12/52/345031252.db2.gz FQTPJVARBMEFRB-NSHDSACASA-N 2 2 203.245 1.289 10 0 BDAELP C[C@@H](c1nccs1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081888 345035787 /nfs/dbraw/zinc/03/57/87/345035787.db2.gz QIPBCQADTVKWCS-UWVGGRQHSA-N 2 2 225.361 1.745 10 0 BDAELP C[C@@H](c1nccs1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000248081888 345035789 /nfs/dbraw/zinc/03/57/89/345035789.db2.gz QIPBCQADTVKWCS-UWVGGRQHSA-N 2 2 225.361 1.745 10 0 BDAELP COc1ccccc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077336 537893917 /nfs/dbraw/zinc/89/39/17/537893917.db2.gz COKPHGJOLREJQR-JTQLQIEISA-N 2 2 204.273 1.009 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000253612732 345692800 /nfs/dbraw/zinc/69/28/00/345692800.db2.gz IQQMOMUKMGXIKN-QWRGUYRKSA-N 2 2 207.321 1.889 10 0 BDAELP C[C@@H](c1ccc[nH]1)[N@H+]1CCCC[C@H]1C[NH3+] ZINC000253612732 345692801 /nfs/dbraw/zinc/69/28/01/345692801.db2.gz IQQMOMUKMGXIKN-QWRGUYRKSA-N 2 2 207.321 1.889 10 0 BDAELP C[C@H](c1cccc2ncccc21)[C@@H]([NH3+])C[NH3+] ZINC000141796399 345861393 /nfs/dbraw/zinc/86/13/93/345861393.db2.gz WGOAVGXHEPZJMZ-SKDRFNHKSA-N 2 2 215.300 1.624 10 0 BDAELP Cc1cccc(C[N@@H+]2C[C@@H](C[NH3+])O[C@@H](C)C2)c1 ZINC000071544593 179085145 /nfs/dbraw/zinc/08/51/45/179085145.db2.gz LVYRFDIWWATGGD-GXTWGEPZSA-N 2 2 234.343 1.543 10 0 BDAELP Cc1cccc(C[N@H+]2C[C@@H](C[NH3+])O[C@@H](C)C2)c1 ZINC000071544593 179085146 /nfs/dbraw/zinc/08/51/46/179085146.db2.gz LVYRFDIWWATGGD-GXTWGEPZSA-N 2 2 234.343 1.543 10 0 BDAELP C1C[C@@H]([N@@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)CS1 ZINC000299893450 347150384 /nfs/dbraw/zinc/15/03/84/347150384.db2.gz LJIXFYUVSQOBFD-GMTAPVOTSA-N 2 2 212.362 1.176 10 0 BDAELP C1C[C@@H]([N@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)CS1 ZINC000299893450 347150386 /nfs/dbraw/zinc/15/03/86/347150386.db2.gz LJIXFYUVSQOBFD-GMTAPVOTSA-N 2 2 212.362 1.176 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@H+](CCO)C2CC2)c1 ZINC000042967506 179198243 /nfs/dbraw/zinc/19/82/43/179198243.db2.gz ZWVNYFBKUHYLDB-AWEZNQCLSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@@H+](CCO)C2CC2)c1 ZINC000042967506 179198245 /nfs/dbraw/zinc/19/82/45/179198245.db2.gz ZWVNYFBKUHYLDB-AWEZNQCLSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1cccc([C@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000036946829 179201085 /nfs/dbraw/zinc/20/10/85/179201085.db2.gz VBDYWRCQTQAQKN-LLVKDONJSA-N 2 2 201.273 1.961 10 0 BDAELP Cc1cccc([C@H]([C@H](C)[NH3+])[NH+]2CCC(O)CC2)c1 ZINC000042965538 179203561 /nfs/dbraw/zinc/20/35/61/179203561.db2.gz ULPGOYGYUWCLID-WFASDCNBSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@@H+]2CCC[C@H](O)C2)c1 ZINC000042966420 179203764 /nfs/dbraw/zinc/20/37/64/179203764.db2.gz UMJVJPQPRDDAME-QEJZJMRPSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@H]([C@H](C)[NH3+])[N@H+]2CCC[C@H](O)C2)c1 ZINC000042966420 179203766 /nfs/dbraw/zinc/20/37/66/179203766.db2.gz UMJVJPQPRDDAME-QEJZJMRPSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@@H]1CO ZINC000043036035 179341539 /nfs/dbraw/zinc/34/15/39/179341539.db2.gz WBVKKMIBNXMKKY-OCCSQVGLSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@@H]1CO ZINC000043036035 179341541 /nfs/dbraw/zinc/34/15/41/179341541.db2.gz WBVKKMIBNXMKKY-OCCSQVGLSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[NH+]1CCC(O)CC1 ZINC000020178952 179341737 /nfs/dbraw/zinc/34/17/37/179341737.db2.gz NSOKMOBKAVFSRG-AWEZNQCLSA-N 2 2 234.343 1.452 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCSC[C@H]1C ZINC000251813519 362928645 /nfs/dbraw/zinc/92/86/45/362928645.db2.gz OPBGRSYPHXHKTQ-NXEZZACHSA-N 2 2 202.367 1.407 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1CCSC[C@H]1C ZINC000251813519 362928650 /nfs/dbraw/zinc/92/86/50/362928650.db2.gz OPBGRSYPHXHKTQ-NXEZZACHSA-N 2 2 202.367 1.407 10 0 BDAELP CC(C)(C)[C@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000302371367 350083726 /nfs/dbraw/zinc/08/37/26/350083726.db2.gz KWXPAOSNFLZDMK-GFCCVEGCSA-N 2 2 239.363 1.660 10 0 BDAELP Cc1nc([C@H]2[C@@H](C[NH3+])CC[N@H+]2C)cs1 ZINC000082964339 180058409 /nfs/dbraw/zinc/05/84/09/180058409.db2.gz ZZULXWVXPBMBQU-PSASIEDQSA-N 2 2 211.334 1.403 10 0 BDAELP Cc1nc([C@H]2[C@@H](C[NH3+])CC[N@@H+]2C)cs1 ZINC000082964339 180058412 /nfs/dbraw/zinc/05/84/12/180058412.db2.gz ZZULXWVXPBMBQU-PSASIEDQSA-N 2 2 211.334 1.403 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cnco2)CC1 ZINC000616602154 350790667 /nfs/dbraw/zinc/79/06/67/350790667.db2.gz SWRLPMRNYPUAMC-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cnco2)CC1 ZINC000616602154 350790670 /nfs/dbraw/zinc/79/06/70/350790670.db2.gz SWRLPMRNYPUAMC-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616602051 350790748 /nfs/dbraw/zinc/79/07/48/350790748.db2.gz QMUPQQSOXSTQMX-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616602051 350790751 /nfs/dbraw/zinc/79/07/51/350790751.db2.gz QMUPQQSOXSTQMX-GFCCVEGCSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccncn2)C1 ZINC000616605046 350794195 /nfs/dbraw/zinc/79/41/95/350794195.db2.gz WHRJADFTGORZGW-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccncn2)C1 ZINC000616605046 350794196 /nfs/dbraw/zinc/79/41/96/350794196.db2.gz WHRJADFTGORZGW-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616606679 350798148 /nfs/dbraw/zinc/79/81/48/350798148.db2.gz DHBPWRSUCUJGEV-CQSZACIVSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616606679 350798151 /nfs/dbraw/zinc/79/81/51/350798151.db2.gz DHBPWRSUCUJGEV-CQSZACIVSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616611506 350809250 /nfs/dbraw/zinc/80/92/50/350809250.db2.gz FWLCAKNROPUSMT-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616611506 350809252 /nfs/dbraw/zinc/80/92/52/350809252.db2.gz FWLCAKNROPUSMT-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cccc3ncccc32)C1 ZINC000616611578 350809272 /nfs/dbraw/zinc/80/92/72/350809272.db2.gz GKZNYUAGSVQKDK-LBPRGKRZSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cccc3ncccc32)C1 ZINC000616611578 350809273 /nfs/dbraw/zinc/80/92/73/350809273.db2.gz GKZNYUAGSVQKDK-LBPRGKRZSA-N 2 2 241.338 1.983 10 0 BDAELP C[C@H]1[C@@H]([NH2+]C2CSC2)CCC[N@@H+]1C ZINC000306700400 350848654 /nfs/dbraw/zinc/84/86/54/350848654.db2.gz FPTAKRDUFMPEQP-WPRPVWTQSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@H]1[C@@H]([NH2+]C2CSC2)CCC[N@H+]1C ZINC000306700400 350848655 /nfs/dbraw/zinc/84/86/55/350848655.db2.gz FPTAKRDUFMPEQP-WPRPVWTQSA-N 2 2 200.351 1.174 10 0 BDAELP NC(=O)c1ccccc1[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616616453 350854930 /nfs/dbraw/zinc/85/49/30/350854930.db2.gz PMUCNKGITNXBFY-ZDUSSCGKSA-N 2 2 247.342 1.271 10 0 BDAELP NC(=O)c1ccccc1[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000616616453 350854934 /nfs/dbraw/zinc/85/49/34/350854934.db2.gz PMUCNKGITNXBFY-ZDUSSCGKSA-N 2 2 247.342 1.271 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)CCS1 ZINC000252981001 350917912 /nfs/dbraw/zinc/91/79/12/350917912.db2.gz PEQSZNXIFZXTMC-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)CCS1 ZINC000252981001 350917913 /nfs/dbraw/zinc/91/79/13/350917913.db2.gz PEQSZNXIFZXTMC-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP CNc1cccc([C@@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616621226 351004014 /nfs/dbraw/zinc/00/40/14/351004014.db2.gz QGTRNNNDYXBILT-CYBMUJFWSA-N 2 2 233.359 1.866 10 0 BDAELP CNc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616621226 351004018 /nfs/dbraw/zinc/00/40/18/351004018.db2.gz QGTRNNNDYXBILT-CYBMUJFWSA-N 2 2 233.359 1.866 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccon2)C1 ZINC000616630007 351101536 /nfs/dbraw/zinc/10/15/36/351101536.db2.gz XVAJYLNVWABZNG-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccon2)C1 ZINC000616630007 351101537 /nfs/dbraw/zinc/10/15/37/351101537.db2.gz XVAJYLNVWABZNG-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP Nc1ncccc1[C@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616623891 351090289 /nfs/dbraw/zinc/09/02/89/351090289.db2.gz LGWGTDGXYGXDHA-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1ncccc1[C@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616623891 351090292 /nfs/dbraw/zinc/09/02/92/351090292.db2.gz LGWGTDGXYGXDHA-GFCCVEGCSA-N 2 2 234.347 1.540 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616627448 351095428 /nfs/dbraw/zinc/09/54/28/351095428.db2.gz FBCYQOKGQLZWID-GFCCVEGCSA-N 2 2 234.347 1.307 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616627448 351095431 /nfs/dbraw/zinc/09/54/31/351095431.db2.gz FBCYQOKGQLZWID-GFCCVEGCSA-N 2 2 234.347 1.307 10 0 BDAELP Nc1[nH+]cccc1[C@@H]1CCC[N@H+](CC[NH3+])CC1 ZINC000616628050 351096448 /nfs/dbraw/zinc/09/64/48/351096448.db2.gz LYNNGZRTCRLHQZ-LLVKDONJSA-N 3 2 234.347 1.192 10 0 BDAELP Nc1[nH+]cccc1[C@@H]1CCC[N@@H+](CC[NH3+])CC1 ZINC000616628050 351096451 /nfs/dbraw/zinc/09/64/51/351096451.db2.gz LYNNGZRTCRLHQZ-LLVKDONJSA-N 3 2 234.347 1.192 10 0 BDAELP [NH3+]CCN1c2ccccc2CC[C@H]1c1[nH]cc[nH+]1 ZINC000616669657 351229510 /nfs/dbraw/zinc/22/95/10/351229510.db2.gz LAEBLYVKVKPHOK-ZDUSSCGKSA-N 2 2 242.326 1.862 10 0 BDAELP CC(C)(C)[N@@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616662027 351217648 /nfs/dbraw/zinc/21/76/48/351217648.db2.gz YYKKWIBWMPIKET-LLVKDONJSA-N 2 2 223.320 1.555 10 0 BDAELP CC(C)(C)[N@H+]1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616662027 351217652 /nfs/dbraw/zinc/21/76/52/351217652.db2.gz YYKKWIBWMPIKET-LLVKDONJSA-N 2 2 223.320 1.555 10 0 BDAELP CC(C)(C)[C@@H]1CC[N@H+](CC[NH3+])CCO1 ZINC000616665713 351223406 /nfs/dbraw/zinc/22/34/06/351223406.db2.gz UXRYQCPCYVHHGO-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@@H]1CC[N@@H+](CC[NH3+])CCO1 ZINC000616665713 351223409 /nfs/dbraw/zinc/22/34/09/351223409.db2.gz UXRYQCPCYVHHGO-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1C1CSC1 ZINC000307310884 351987522 /nfs/dbraw/zinc/98/75/22/351987522.db2.gz ZEZHPLJHHBFUHP-SCZZXKLOSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1C1CSC1 ZINC000307310884 351987525 /nfs/dbraw/zinc/98/75/25/351987525.db2.gz ZEZHPLJHHBFUHP-SCZZXKLOSA-N 2 2 200.351 1.304 10 0 BDAELP CS[C@@H]1CCC[N@@H+]([C@@H](C)C(N)=[NH2+])CC1 ZINC000300886062 363098914 /nfs/dbraw/zinc/09/89/14/363098914.db2.gz TWUSSWVRZNVOKZ-DTWKUNHWSA-N 2 2 215.366 1.528 10 0 BDAELP CS[C@@H]1CCC[N@H+]([C@@H](C)C(N)=[NH2+])CC1 ZINC000300886062 363098918 /nfs/dbraw/zinc/09/89/18/363098918.db2.gz TWUSSWVRZNVOKZ-DTWKUNHWSA-N 2 2 215.366 1.528 10 0 BDAELP C[C@H]1CCC[C@@H](C[NH3+])[N@@H+]1C1CSC1 ZINC000307663079 352748224 /nfs/dbraw/zinc/74/82/24/352748224.db2.gz IKXWFDBYQSLAQG-IUCAKERBSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1CCC[C@@H](C[NH3+])[N@H+]1C1CSC1 ZINC000307663079 352748226 /nfs/dbraw/zinc/74/82/26/352748226.db2.gz IKXWFDBYQSLAQG-IUCAKERBSA-N 2 2 200.351 1.304 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000120327980 188248172 /nfs/dbraw/zinc/24/81/72/188248172.db2.gz HFBQNYZXKZNCGD-MGPQQGTHSA-N 2 2 242.407 1.977 10 0 BDAELP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000044538729 188296265 /nfs/dbraw/zinc/29/62/65/188296265.db2.gz JRXOSPUZOPCVAM-CYBMUJFWSA-N 3 2 225.380 1.014 10 0 BDAELP C[N@H+]1CCC[C@@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000044538729 188296267 /nfs/dbraw/zinc/29/62/67/188296267.db2.gz JRXOSPUZOPCVAM-CYBMUJFWSA-N 3 2 225.380 1.014 10 0 BDAELP C(C[N@@H+]1CCCSCC1)[NH2+]C1CC1 ZINC000042444536 188323491 /nfs/dbraw/zinc/32/34/91/188323491.db2.gz PXFMMZIVYTYPMZ-UHFFFAOYSA-N 2 2 200.351 1.177 10 0 BDAELP C(C[N@H+]1CCCSCC1)[NH2+]C1CC1 ZINC000042444536 188323493 /nfs/dbraw/zinc/32/34/93/188323493.db2.gz PXFMMZIVYTYPMZ-UHFFFAOYSA-N 2 2 200.351 1.177 10 0 BDAELP CCN(CC[NH3+])c1cc(C)[nH+]cc1C#N ZINC000398995528 353495776 /nfs/dbraw/zinc/49/57/76/353495776.db2.gz ONIXAKKYJBDXKN-UHFFFAOYSA-N 2 2 204.277 1.047 10 0 BDAELP C[C@@H](C[NH3+])N(C)c1[nH]c2ccccc2[nH+]1 ZINC000074204752 354182712 /nfs/dbraw/zinc/18/27/12/354182712.db2.gz YKNVRMHNVXOCNT-QMMMGPOBSA-N 2 2 204.277 1.346 10 0 BDAELP NC(=[NH2+])c1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000036887922 181194448 /nfs/dbraw/zinc/19/44/48/181194448.db2.gz WTYUKNKVCOVKBU-UHFFFAOYSA-N 2 2 204.208 1.295 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000336192996 134124351 /nfs/dbraw/zinc/12/43/51/134124351.db2.gz HPJGSGXIZRRSQN-RYUDHWBXSA-N 2 2 236.363 1.646 10 0 BDAELP Cc1cccc(CC2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675076596 538511559 /nfs/dbraw/zinc/51/15/59/538511559.db2.gz 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CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000389537771 356982524 /nfs/dbraw/zinc/98/25/24/356982524.db2.gz JODBXVXWTFLSPK-MXWKQRLJSA-N 2 2 200.326 1.094 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)C1 ZINC000389537771 356982525 /nfs/dbraw/zinc/98/25/25/356982525.db2.gz JODBXVXWTFLSPK-MXWKQRLJSA-N 2 2 200.326 1.094 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948867 538891887 /nfs/dbraw/zinc/89/18/87/538891887.db2.gz UTCGODNJOQXBRD-USZNOCQGSA-N 2 2 214.328 1.664 10 0 BDAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CC[NH2+]C[C@@H]2F)C1 ZINC000685948867 538891888 /nfs/dbraw/zinc/89/18/88/538891888.db2.gz UTCGODNJOQXBRD-USZNOCQGSA-N 2 2 214.328 1.664 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000160294965 357742269 /nfs/dbraw/zinc/74/22/69/357742269.db2.gz ONVHVXHCFDWNBS-UWVGGRQHSA-N 2 2 221.304 1.264 10 0 BDAELP c1cnn([C@@H]2CCCC[C@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000072746168 359090113 /nfs/dbraw/zinc/09/01/13/359090113.db2.gz XBQCBXKVHWSISY-CHWSQXEVSA-N 2 2 245.330 1.880 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247886213 359246987 /nfs/dbraw/zinc/24/69/87/359246987.db2.gz DBFVJXTXONINMO-KBPBESRZSA-N 2 2 240.391 1.611 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247886213 359246990 /nfs/dbraw/zinc/24/69/90/359246990.db2.gz DBFVJXTXONINMO-KBPBESRZSA-N 2 2 240.391 1.611 10 0 BDAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@H](C)OC ZINC000306535482 360399625 /nfs/dbraw/zinc/39/96/25/360399625.db2.gz GHWHXEXOODMYJC-JSGCOSHPSA-N 2 2 236.359 1.871 10 0 BDAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@H](C)OC ZINC000306535482 360399629 /nfs/dbraw/zinc/39/96/29/360399629.db2.gz GHWHXEXOODMYJC-JSGCOSHPSA-N 2 2 236.359 1.871 10 0 BDAELP Cc1[nH]c(C[NH2+][C@@H]2CSC[C@H]2C)c[nH+]1 ZINC000306533296 360394656 /nfs/dbraw/zinc/39/46/56/360394656.db2.gz CSMQPZXJTFWYBH-GMSGAONNSA-N 2 2 211.334 1.559 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@]1(C[NH3+])CCSC1 ZINC000069760846 360407935 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360712046 /nfs/dbraw/zinc/71/20/46/360712046.db2.gz DPYOCDNTDIEKOG-AGIUHOORSA-N 2 2 228.380 1.587 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630355750 364077364 /nfs/dbraw/zinc/07/73/64/364077364.db2.gz KIZIYTYRXCUOOD-UONOGXRCSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccccc2)[C@@](C)(C[NH3+])C1 ZINC000630355750 364077369 /nfs/dbraw/zinc/07/73/69/364077369.db2.gz KIZIYTYRXCUOOD-UONOGXRCSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ncccc2C)[C@@](C)(C[NH3+])C1 ZINC000630367411 364084862 /nfs/dbraw/zinc/08/48/62/364084862.db2.gz OJNKWHAYSJEYFB-GXTWGEPZSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ncccc2C)[C@@](C)(C[NH3+])C1 ZINC000630367411 364084866 /nfs/dbraw/zinc/08/48/66/364084866.db2.gz OJNKWHAYSJEYFB-GXTWGEPZSA-N 2 2 249.358 1.328 10 0 BDAELP C[C@@H]1CO[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000038673981 364051408 /nfs/dbraw/zinc/05/14/08/364051408.db2.gz SEZNKYANPTZLKD-YPMHNXCESA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1CO[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000038673981 364051414 /nfs/dbraw/zinc/05/14/14/364051414.db2.gz SEZNKYANPTZLKD-YPMHNXCESA-N 2 2 220.316 1.235 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cncc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364087 364083081 /nfs/dbraw/zinc/08/30/81/364083081.db2.gz CMPMYPOVNQWSOC-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cncc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630364087 364083087 /nfs/dbraw/zinc/08/30/87/364083087.db2.gz CMPMYPOVNQWSOC-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccc(C)nc2)[C@@](C)(C[NH3+])C1 ZINC000630366334 364086531 /nfs/dbraw/zinc/08/65/31/364086531.db2.gz KCXWXQYJUCFVCG-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccc(C)nc2)[C@@](C)(C[NH3+])C1 ZINC000630366334 364086534 /nfs/dbraw/zinc/08/65/34/364086534.db2.gz KCXWXQYJUCFVCG-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cccnc2C)[C@@](C)(C[NH3+])C1 ZINC000630368891 364086588 /nfs/dbraw/zinc/08/65/88/364086588.db2.gz UAPVRRMIWIYOFU-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cccnc2C)[C@@](C)(C[NH3+])C1 ZINC000630368891 364086590 /nfs/dbraw/zinc/08/65/90/364086590.db2.gz UAPVRRMIWIYOFU-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP C[C@H]1CC[C@@H](Nc2[nH]c3ccccc3[nH+]2)C[NH2+]1 ZINC000630534854 364229523 /nfs/dbraw/zinc/22/95/23/364229523.db2.gz PUMFWWOVMRUDFU-VHSXEESVSA-N 2 2 230.315 1.537 10 0 BDAELP C[C@H]1CC[C@H](Nc2[nH]c3ccccc3[nH+]2)C[NH2+]1 ZINC000630534852 364229531 /nfs/dbraw/zinc/22/95/31/364229531.db2.gz PUMFWWOVMRUDFU-UWVGGRQHSA-N 2 2 230.315 1.537 10 0 BDAELP C[N@H+](C[C@@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000675054245 541433651 /nfs/dbraw/zinc/43/36/51/541433651.db2.gz PCHNZLWUOPXODY-CYBMUJFWSA-N 3 2 239.407 1.402 10 0 BDAELP C[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000675054245 541433654 /nfs/dbraw/zinc/43/36/54/541433654.db2.gz PCHNZLWUOPXODY-CYBMUJFWSA-N 3 2 239.407 1.402 10 0 BDAELP [NH3+]CC[N@H+](Cc1ccncc1)C1CCCC1 ZINC000042428171 181390964 /nfs/dbraw/zinc/39/09/64/181390964.db2.gz QBSJSKNDRTTYFD-UHFFFAOYSA-N 2 2 219.332 1.785 10 0 BDAELP [NH3+]CC[N@@H+](Cc1ccncc1)C1CCCC1 ZINC000042428171 181390966 /nfs/dbraw/zinc/39/09/66/181390966.db2.gz QBSJSKNDRTTYFD-UHFFFAOYSA-N 2 2 219.332 1.785 10 0 BDAELP [NH3+]CCOCCc1ccc2c(c1)[nH+]cn2C1CC1 ZINC000077399921 181399489 /nfs/dbraw/zinc/39/94/89/181399489.db2.gz ARCAACWFCIUQRO-UHFFFAOYSA-N 2 2 245.326 1.889 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252842156 368163565 /nfs/dbraw/zinc/16/35/65/368163565.db2.gz CLZVKODOCHQGRS-SRVKXCTJSA-N 2 2 247.342 1.654 10 0 BDAELP CC[C@H]1C[N@@H+]([C@H]2CC[NH2+]C2)CCS1 ZINC000253069670 368443528 /nfs/dbraw/zinc/44/35/28/368443528.db2.gz LUPMJWWWWRRCSD-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP CC[C@H]1C[N@H+]([C@H]2CC[NH2+]C2)CCS1 ZINC000253069670 368443535 /nfs/dbraw/zinc/44/35/35/368443535.db2.gz LUPMJWWWWRRCSD-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cnc3ccccc3c2)C1 ZINC000616611979 369102026 /nfs/dbraw/zinc/10/20/26/369102026.db2.gz IOOGMTGFYUKCLL-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cnc3ccccc3c2)C1 ZINC000616611979 369102031 /nfs/dbraw/zinc/10/20/31/369102031.db2.gz IOOGMTGFYUKCLL-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP c1[nH+]cn(Cc2ccccc2)c1C1C[NH2+]C1 ZINC000131150812 371564151 /nfs/dbraw/zinc/56/41/51/371564151.db2.gz CMGHZJZJGIPQDO-UHFFFAOYSA-N 2 2 213.284 1.618 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(Cl)cc1F ZINC000162992236 371906249 /nfs/dbraw/zinc/90/62/49/371906249.db2.gz FXELIDRMRFZFIK-SECBINFHSA-N 2 2 202.660 1.698 10 0 BDAELP Cc1nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)oc1C ZINC000631840017 372636303 /nfs/dbraw/zinc/63/63/03/372636303.db2.gz OHFOFPPZTQAWFJ-KWQFWETISA-N 2 2 223.320 1.318 10 0 BDAELP Cc1nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)oc1C ZINC000631840017 372636309 /nfs/dbraw/zinc/63/63/09/372636309.db2.gz OHFOFPPZTQAWFJ-KWQFWETISA-N 2 2 223.320 1.318 10 0 BDAELP CC(C)n1ccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841161 372638280 /nfs/dbraw/zinc/63/82/80/372638280.db2.gz YYBGFOJQDGTUAY-NWDGAFQWSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841161 372638285 /nfs/dbraw/zinc/63/82/85/372638285.db2.gz YYBGFOJQDGTUAY-NWDGAFQWSA-N 2 2 236.363 1.491 10 0 BDAELP CCCC[C@]([NH3+])(Cc1c[nH+]c[nH]1)C(=O)OC ZINC000169318641 169015323 /nfs/dbraw/zinc/01/53/23/169015323.db2.gz VBAHDFVYNUTHFT-NSHDSACASA-N 2 2 225.292 1.013 10 0 BDAELP O[C@@H]1C[NH2+]C[C@@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000104252406 183208363 /nfs/dbraw/zinc/20/83/63/183208363.db2.gz SLUGHIBCDOEJAZ-QWHCGFSZSA-N 2 2 238.375 1.365 10 0 BDAELP O[C@@H]1CCCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541194 183187594 /nfs/dbraw/zinc/18/75/94/183187594.db2.gz JKIYNILVZABBPJ-VXGBXAGGSA-N 2 2 223.320 1.166 10 0 BDAELP O[C@H](CC[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000076729256 183219097 /nfs/dbraw/zinc/21/90/97/183219097.db2.gz PQCLRPNTRVLJMX-CQSZACIVSA-N 2 2 234.343 1.405 10 0 BDAELP O[C@H](CC[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000076729256 183219100 /nfs/dbraw/zinc/21/91/00/183219100.db2.gz PQCLRPNTRVLJMX-CQSZACIVSA-N 2 2 234.343 1.405 10 0 BDAELP Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000037168299 183270458 /nfs/dbraw/zinc/27/04/58/183270458.db2.gz QVRUYUXSRXOMEJ-ZIAGYGMSSA-N 2 2 232.327 1.719 10 0 BDAELP Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]23)cc1 ZINC000037168299 183270461 /nfs/dbraw/zinc/27/04/61/183270461.db2.gz QVRUYUXSRXOMEJ-ZIAGYGMSSA-N 2 2 232.327 1.719 10 0 BDAELP Oc1ccc2[nH]c([C@H]3CCC[NH2+]C3)[nH+]c2c1 ZINC000076006041 183278822 /nfs/dbraw/zinc/27/88/22/183278822.db2.gz SWNWQDKFZIDPMH-QMMMGPOBSA-N 2 2 217.272 1.736 10 0 BDAELP CCC[NH+]1CCC([C@H](C)[NH2+]CC[NH+](C)C)CC1 ZINC000037208401 169191088 /nfs/dbraw/zinc/19/10/88/169191088.db2.gz LFXRQLOPCAQCTG-ZDUSSCGKSA-N 3 2 241.423 1.648 10 0 BDAELP CCCNC(=O)[C@H](C)[N@H+](CC[NH3+])C1CCCC1 ZINC000070975591 169244866 /nfs/dbraw/zinc/24/48/66/169244866.db2.gz HOTAJSCACVRULU-NSHDSACASA-N 2 2 241.379 1.104 10 0 BDAELP CCCNC(=O)[C@H](C)[N@@H+](CC[NH3+])C1CCCC1 ZINC000070975591 169244868 /nfs/dbraw/zinc/24/48/68/169244868.db2.gz HOTAJSCACVRULU-NSHDSACASA-N 2 2 241.379 1.104 10 0 BDAELP c1ccc(C[N@@H+]2CCN3CCC[NH2+]C[C@@H]3C2)cc1 ZINC000096895529 183399226 /nfs/dbraw/zinc/39/92/26/183399226.db2.gz QGKLHAVWMDZCGU-OAHLLOKOSA-N 2 2 245.370 1.166 10 0 BDAELP c1ccc(C[N@H+]2CCN3CCC[NH2+]C[C@@H]3C2)cc1 ZINC000096895529 183399228 /nfs/dbraw/zinc/39/92/28/183399228.db2.gz QGKLHAVWMDZCGU-OAHLLOKOSA-N 2 2 245.370 1.166 10 0 BDAELP CCC[NH2+][C@@H](C)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000044472419 169275209 /nfs/dbraw/zinc/27/52/09/169275209.db2.gz DLGGOEDVGOYRTI-ZDUSSCGKSA-N 3 2 241.423 1.648 10 0 BDAELP c1c(C[C@@H]2CCC[NH2+]2)[nH+]c2ccccn12 ZINC000082913037 183463280 /nfs/dbraw/zinc/46/32/80/183463280.db2.gz RDRIBJPMSYLUKF-JTQLQIEISA-N 2 2 201.273 1.629 10 0 BDAELP CC[C@@H]1COCC[N@H+]1[C@@H](C[NH3+])C(C)C ZINC000036325728 171107645 /nfs/dbraw/zinc/10/76/45/171107645.db2.gz OXWBHBKWEPKKSI-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1nccs1 ZINC000070634492 384127307 /nfs/dbraw/zinc/12/73/07/384127307.db2.gz BRXGKRMKDTYYFJ-RKDXNWHRSA-N 2 2 211.334 1.403 10 0 BDAELP CN(C[C@H]1CCC[NH2+]1)c1[nH]c2ccccc2[nH+]1 ZINC000095070981 384339616 /nfs/dbraw/zinc/33/96/16/384339616.db2.gz GBPZTIIGHCIADY-SNVBAGLBSA-N 2 2 230.315 1.751 10 0 BDAELP C[N@@H+](Cc1ccnc(Cl)n1)C[C@H]1CC[NH2+]C1 ZINC000095071295 384340908 /nfs/dbraw/zinc/34/09/08/384340908.db2.gz NCDVWYXBSWPEND-VIFPVBQESA-N 2 2 240.738 1.171 10 0 BDAELP C[N@H+](Cc1ccnc(Cl)n1)C[C@H]1CC[NH2+]C1 ZINC000095071295 384340910 /nfs/dbraw/zinc/34/09/10/384340910.db2.gz NCDVWYXBSWPEND-VIFPVBQESA-N 2 2 240.738 1.171 10 0 BDAELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)nn1 ZINC000095072313 384343302 /nfs/dbraw/zinc/34/33/02/384343302.db2.gz MKYXLVKALSNTEO-NXEZZACHSA-N 2 2 240.738 1.490 10 0 BDAELP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068334 384330073 /nfs/dbraw/zinc/33/00/73/384330073.db2.gz MPWIZPYCHBDIQE-WDEREUQCSA-N 2 2 207.321 1.807 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000335644699 384417877 /nfs/dbraw/zinc/41/78/77/384417877.db2.gz YBJTUMQHUUOVKP-GXFFZTMASA-N 2 2 220.316 1.622 10 0 BDAELP c1cn(CC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c[nH+]1 ZINC000163012051 384719867 /nfs/dbraw/zinc/71/98/67/384719867.db2.gz XOHCOCOAHIFELN-CYBMUJFWSA-N 2 2 245.330 1.833 10 0 BDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1cc[nH+]c(C)n1 ZINC000174924306 384850899 /nfs/dbraw/zinc/85/08/99/384850899.db2.gz RRBQDKASORYAHX-QWHCGFSZSA-N 2 2 246.358 1.848 10 0 BDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1cc[nH+]c(C)n1 ZINC000174924306 384850908 /nfs/dbraw/zinc/85/09/08/384850908.db2.gz RRBQDKASORYAHX-QWHCGFSZSA-N 2 2 246.358 1.848 10 0 BDAELP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC[NH+](C)C)C12CCC2 ZINC000365122948 384903452 /nfs/dbraw/zinc/90/34/52/384903452.db2.gz FLCYVJVGAYLYAV-QJPTWQEYSA-N 2 2 226.364 1.341 10 0 BDAELP COC[C@@]12C[N@H+](CC(=[NH2+])NO)C[C@H]1CCCC2 ZINC000409428912 385328445 /nfs/dbraw/zinc/32/84/45/385328445.db2.gz GYSWKIOTPULINP-ZYHUDNBSSA-N 2 2 241.335 1.081 10 0 BDAELP COC[C@@]12C[N@@H+](CC(=[NH2+])NO)C[C@H]1CCCC2 ZINC000409428912 385328448 /nfs/dbraw/zinc/32/84/48/385328448.db2.gz GYSWKIOTPULINP-ZYHUDNBSSA-N 2 2 241.335 1.081 10 0 BDAELP CC[C@H]([NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000036871947 385588866 /nfs/dbraw/zinc/58/88/66/385588866.db2.gz RDDMNEMQUSSFMB-JTQLQIEISA-N 2 2 210.346 1.844 10 0 BDAELP CC[C@H]([NH3+])C[N@H+]1CCc2sccc2C1 ZINC000036871947 385588869 /nfs/dbraw/zinc/58/88/69/385588869.db2.gz RDDMNEMQUSSFMB-JTQLQIEISA-N 2 2 210.346 1.844 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000307312184 385842749 /nfs/dbraw/zinc/84/27/49/385842749.db2.gz GFXBNDADPAPSSF-CYNRKNSPSA-N 2 2 202.729 1.670 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000307312184 385842753 /nfs/dbraw/zinc/84/27/53/385842753.db2.gz GFXBNDADPAPSSF-CYNRKNSPSA-N 2 2 202.729 1.670 10 0 BDAELP CC1C[NH+]([C@]2(C[NH3+])CS[C@@H](C)C2)C1 ZINC000575494428 387277976 /nfs/dbraw/zinc/27/79/76/387277976.db2.gz RLYJZYNNDZYXLC-VHSXEESVSA-N 2 2 200.351 1.161 10 0 BDAELP CC1C[NH+]([C@@]2(C[NH3+])CS[C@H](C)C2)C1 ZINC000575494430 387277995 /nfs/dbraw/zinc/27/79/95/387277995.db2.gz RLYJZYNNDZYXLC-ZJUUUORDSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CC[C@](C[NH3+])([NH+]2CCC2)CS1 ZINC000575535525 387574644 /nfs/dbraw/zinc/57/46/44/387574644.db2.gz WYCBHQGQRKYWKJ-NXEZZACHSA-N 2 2 200.351 1.305 10 0 BDAELP FC(F)(F)CSCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000423012633 387836762 /nfs/dbraw/zinc/83/67/62/387836762.db2.gz DIFVLONEKSRTRL-SSDOTTSWSA-N 2 2 228.283 1.233 10 0 BDAELP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000082944217 388042674 /nfs/dbraw/zinc/04/26/74/388042674.db2.gz JOJXIZGFYNPMLN-KXNHARMFSA-N 2 2 226.364 1.340 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000379291033 388605674 /nfs/dbraw/zinc/60/56/74/388605674.db2.gz JWVUDTRDXLWWSK-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)C1 ZINC000379291033 388605677 /nfs/dbraw/zinc/60/56/77/388605677.db2.gz JWVUDTRDXLWWSK-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000379291032 388605816 /nfs/dbraw/zinc/60/58/16/388605816.db2.gz JWVUDTRDXLWWSK-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCCO2)C1 ZINC000379291032 388605818 /nfs/dbraw/zinc/60/58/18/388605818.db2.gz JWVUDTRDXLWWSK-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC000222590236 388640309 /nfs/dbraw/zinc/64/03/09/388640309.db2.gz BVXZKPDHBYKVMT-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC000222590236 388640312 /nfs/dbraw/zinc/64/03/12/388640312.db2.gz BVXZKPDHBYKVMT-VXGBXAGGSA-N 2 2 214.353 1.485 10 0 BDAELP C[C@@H]([NH2+]CC1([NH+](C)C)CCCC1)[C@H]1CC[NH2+]C1 ZINC000400347425 533360927 /nfs/dbraw/zinc/36/09/27/533360927.db2.gz LAAGATNRUQTRIT-OLZOCXBDSA-N 3 2 239.407 1.448 10 0 BDAELP CCc1[nH+]c(C)nc(N2CCC(C[NH3+])CC2)c1C ZINC000045954886 132299320 /nfs/dbraw/zinc/29/93/20/132299320.db2.gz MPOIJNKFVQARJP-UHFFFAOYSA-N 2 2 248.374 1.831 10 0 BDAELP CC[C@](C)(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000019424055 132324818 /nfs/dbraw/zinc/32/48/18/132324818.db2.gz OTAPAWWSPXVAOY-CQSZACIVSA-N 2 2 248.374 1.331 10 0 BDAELP C[NH+](C)CC1CCN(c2ccc(CO)c[nH+]2)CC1 ZINC000042396183 132351227 /nfs/dbraw/zinc/35/12/27/132351227.db2.gz AVIKTNAZORDQMO-UHFFFAOYSA-N 2 2 249.358 1.352 10 0 BDAELP C[C@@H]1CN(c2cc[nH+]c(C[NH3+])c2)C[C@H](C)O1 ZINC000051396181 132360226 /nfs/dbraw/zinc/36/02/26/132360226.db2.gz GGYUQQAUPZJTPO-AOOOYVTPSA-N 2 2 221.304 1.154 10 0 BDAELP Cc1nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)cc[nH+]1 ZINC000054937687 132365421 /nfs/dbraw/zinc/36/54/21/132365421.db2.gz NOTYCRGONVEYMG-GXSJLCMTSA-N 2 2 220.320 1.349 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCCO ZINC000178317547 134308542 /nfs/dbraw/zinc/30/85/42/134308542.db2.gz LXGLNOAMXPZMES-ZDUSSCGKSA-N 2 2 237.347 1.428 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCCO ZINC000178317547 134308543 /nfs/dbraw/zinc/30/85/43/134308543.db2.gz LXGLNOAMXPZMES-ZDUSSCGKSA-N 2 2 237.347 1.428 10 0 BDAELP C[C@H]1C[N@@H+](C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000178984593 134313951 /nfs/dbraw/zinc/31/39/51/134313951.db2.gz MMXYCJIIOIICPK-LBPRGKRZSA-N 2 2 238.375 1.724 10 0 BDAELP C[C@H]1C[N@H+](C2CC[NH+](C3CCC3)CC2)CCO1 ZINC000178984593 134313952 /nfs/dbraw/zinc/31/39/52/134313952.db2.gz MMXYCJIIOIICPK-LBPRGKRZSA-N 2 2 238.375 1.724 10 0 BDAELP CO[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248447553 135010914 /nfs/dbraw/zinc/01/09/14/135010914.db2.gz XDRVYJYFKIYJGD-AAEUAGOBSA-N 2 2 237.347 1.691 10 0 BDAELP CO[C@@H](C)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248447553 135010916 /nfs/dbraw/zinc/01/09/16/135010916.db2.gz XDRVYJYFKIYJGD-AAEUAGOBSA-N 2 2 237.347 1.691 10 0 BDAELP CC(C)[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000252761982 135107069 /nfs/dbraw/zinc/10/70/69/135107069.db2.gz YOWCJGXHTLYWGU-NWDGAFQWSA-N 2 2 212.337 1.238 10 0 BDAELP CC(C)[NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000252761982 135107071 /nfs/dbraw/zinc/10/70/71/135107071.db2.gz YOWCJGXHTLYWGU-NWDGAFQWSA-N 2 2 212.337 1.238 10 0 BDAELP Cc1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)s1 ZINC000261536963 135172783 /nfs/dbraw/zinc/17/27/83/135172783.db2.gz UJVRPCGBKHFRHB-WCBMZHEXSA-N 2 2 225.361 1.681 10 0 BDAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)s1 ZINC000261536963 135172785 /nfs/dbraw/zinc/17/27/85/135172785.db2.gz UJVRPCGBKHFRHB-WCBMZHEXSA-N 2 2 225.361 1.681 10 0 BDAELP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCC(F)(F)C2)CCO1 ZINC000261538192 135175826 /nfs/dbraw/zinc/17/58/26/135175826.db2.gz RBGMCSGJUYETIL-MNOVXSKESA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCC(F)(F)C2)CCO1 ZINC000261538192 135175828 /nfs/dbraw/zinc/17/58/28/135175828.db2.gz RBGMCSGJUYETIL-MNOVXSKESA-N 2 2 248.317 1.471 10 0 BDAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1sccc1Cl ZINC000261539238 135177658 /nfs/dbraw/zinc/17/76/58/135177658.db2.gz 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/nfs/dbraw/zinc/32/48/74/135324874.db2.gz JIRFDMZEZFKWNY-MNOVXSKESA-N 2 2 240.372 1.595 10 0 BDAELP CC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151103899 397734519 /nfs/dbraw/zinc/73/45/19/397734519.db2.gz PIGTWTSQBYTPTC-OLZOCXBDSA-N 2 2 249.358 1.586 10 0 BDAELP CC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151103899 397734524 /nfs/dbraw/zinc/73/45/24/397734524.db2.gz PIGTWTSQBYTPTC-OLZOCXBDSA-N 2 2 249.358 1.586 10 0 BDAELP COc1ccc[nH+]c1N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000128324907 410249645 /nfs/dbraw/zinc/24/96/45/410249645.db2.gz JBPQFZCJCBLZGX-WDEREUQCSA-N 2 2 235.331 1.890 10 0 BDAELP CC(C)[NH2+]CCN(C)Cc1cn2ccccc2[nH+]1 ZINC000042691138 167104095 /nfs/dbraw/zinc/10/40/95/167104095.db2.gz IVHQEKWARZJIMH-UHFFFAOYSA-N 2 2 246.358 1.764 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000309676647 167112796 /nfs/dbraw/zinc/11/27/96/167112796.db2.gz LXRPJUVZDHINDX-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[NH2+][C@@H]1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000026443106 167134871 /nfs/dbraw/zinc/13/48/71/167134871.db2.gz STGFCDLAXCCJKK-ZIAGYGMSSA-N 2 2 240.391 1.875 10 0 BDAELP CC(C)[C@@H]([NH3+])C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000037115953 167421474 /nfs/dbraw/zinc/42/14/74/167421474.db2.gz RJIKSUQLRVKBAC-MXWKQRLJSA-N 2 2 200.326 1.079 10 0 BDAELP Cc1cc(NC(=O)C[C@H]([NH3+])C(C)C)cc[nH+]1 ZINC000129127105 411231509 /nfs/dbraw/zinc/23/15/09/411231509.db2.gz UWGOSYZEYINUCQ-NSHDSACASA-N 2 2 221.304 1.702 10 0 BDAELP CC(C)(C)[N@@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616644387 411239160 /nfs/dbraw/zinc/23/91/60/411239160.db2.gz BRIBQOJQFFJLOJ-LLVKDONJSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)(C)[N@H+]1CCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616644387 411239162 /nfs/dbraw/zinc/23/91/62/411239162.db2.gz BRIBQOJQFFJLOJ-LLVKDONJSA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)(C)[N@@H+]1CCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616645367 411239232 /nfs/dbraw/zinc/23/92/32/411239232.db2.gz BRIBQOJQFFJLOJ-NSHDSACASA-N 2 2 235.331 1.836 10 0 BDAELP CC(C)(C)[N@H+]1CCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616645367 411239234 /nfs/dbraw/zinc/23/92/34/411239234.db2.gz BRIBQOJQFFJLOJ-NSHDSACASA-N 2 2 235.331 1.836 10 0 BDAELP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCCO1 ZINC000657308788 411458158 /nfs/dbraw/zinc/45/81/58/411458158.db2.gz BTOSEFMMKOWZOW-ZYHUDNBSSA-N 2 2 235.331 1.486 10 0 BDAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCCO1 ZINC000657308782 411458443 /nfs/dbraw/zinc/45/84/43/411458443.db2.gz BTOSEFMMKOWZOW-CMPLNLGQSA-N 2 2 235.331 1.486 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)CO1 ZINC000657324518 411464943 /nfs/dbraw/zinc/46/49/43/411464943.db2.gz CFYCEUBLATVPTF-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657324518 411464945 /nfs/dbraw/zinc/46/49/45/411464945.db2.gz CFYCEUBLATVPTF-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190691453 170014159 /nfs/dbraw/zinc/01/41/59/170014159.db2.gz PWTPSPQVCAYQBY-CQSZACIVSA-N 2 2 233.359 1.855 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190691453 170014160 /nfs/dbraw/zinc/01/41/60/170014160.db2.gz PWTPSPQVCAYQBY-CQSZACIVSA-N 2 2 233.359 1.855 10 0 BDAELP CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190691453 170014163 /nfs/dbraw/zinc/01/41/63/170014163.db2.gz PWTPSPQVCAYQBY-CQSZACIVSA-N 2 2 233.359 1.855 10 0 BDAELP CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190691453 170014165 /nfs/dbraw/zinc/01/41/65/170014165.db2.gz PWTPSPQVCAYQBY-CQSZACIVSA-N 2 2 233.359 1.855 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH+]2CC[C@H]([NH2+]C)[C@H](C)C2)C1 ZINC000049712893 170015011 /nfs/dbraw/zinc/01/50/11/170015011.db2.gz MAWQJHIRJXFBKB-RDBSUJKOSA-N 3 2 239.407 1.258 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH+]2CC[C@H]([NH2+]C)[C@H](C)C2)C1 ZINC000049712893 170015012 /nfs/dbraw/zinc/01/50/12/170015012.db2.gz MAWQJHIRJXFBKB-RDBSUJKOSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH+]1CC[C@H](C[N@@H+]2CC[C@H]([NH2+]C)[C@H](C)C2)C1 ZINC000049712893 170015013 /nfs/dbraw/zinc/01/50/13/170015013.db2.gz MAWQJHIRJXFBKB-RDBSUJKOSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH+]1CC[C@H](C[N@H+]2CC[C@H]([NH2+]C)[C@H](C)C2)C1 ZINC000049712893 170015015 /nfs/dbraw/zinc/01/50/15/170015015.db2.gz MAWQJHIRJXFBKB-RDBSUJKOSA-N 3 2 239.407 1.258 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655784 170019398 /nfs/dbraw/zinc/01/93/98/170019398.db2.gz URLJAAPZDLRSOA-RYUDHWBXSA-N 2 2 212.337 1.191 10 0 BDAELP CC[N@H+]1CC[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655784 170019399 /nfs/dbraw/zinc/01/93/99/170019399.db2.gz URLJAAPZDLRSOA-RYUDHWBXSA-N 2 2 212.337 1.191 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000328143536 170022820 /nfs/dbraw/zinc/02/28/20/170022820.db2.gz BQHMZBXOKAXUOB-QWRGUYRKSA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCOC)C1 ZINC000328143536 170022821 /nfs/dbraw/zinc/02/28/21/170022821.db2.gz BQHMZBXOKAXUOB-QWRGUYRKSA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779875 170029182 /nfs/dbraw/zinc/02/91/82/170029182.db2.gz PQZAEZOLEJRCFM-YPMHNXCESA-N 2 2 224.348 1.263 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000336779875 170029183 /nfs/dbraw/zinc/02/91/83/170029183.db2.gz PQZAEZOLEJRCFM-YPMHNXCESA-N 2 2 224.348 1.263 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000309965421 170039350 /nfs/dbraw/zinc/03/93/50/170039350.db2.gz NFZKDXGVRUEQBF-QNWHQSFQSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1 ZINC000309965421 170039351 /nfs/dbraw/zinc/03/93/51/170039351.db2.gz NFZKDXGVRUEQBF-QNWHQSFQSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000307522473 170040119 /nfs/dbraw/zinc/04/01/19/170040119.db2.gz YGCPLVVNBQZBSX-HBNTYKKESA-N 2 2 214.378 1.422 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000307522473 170040120 /nfs/dbraw/zinc/04/01/20/170040120.db2.gz YGCPLVVNBQZBSX-HBNTYKKESA-N 2 2 214.378 1.422 10 0 BDAELP CC[NH2+]CCOCc1[nH+]cc(C)c(OC)c1C ZINC000051844106 170116671 /nfs/dbraw/zinc/11/66/71/170116671.db2.gz XFPKFJWDYFMRHL-UHFFFAOYSA-N 2 2 238.331 1.833 10 0 BDAELP CC[NH2+]Cc1occc1C[N@@H+]1CCOC[C@@H]1C ZINC000052475854 170132907 /nfs/dbraw/zinc/13/29/07/170132907.db2.gz WZYBCIHURCMTLE-NSHDSACASA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1occc1C[N@H+]1CCOC[C@@H]1C ZINC000052475854 170132908 /nfs/dbraw/zinc/13/29/08/170132908.db2.gz WZYBCIHURCMTLE-NSHDSACASA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+][C@@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711562 170144710 /nfs/dbraw/zinc/14/47/10/170144710.db2.gz IOFBSRKWXQGENB-VIFPVBQESA-N 2 2 218.222 1.713 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@@H+]1CCCOCC1 ZINC000061917861 170150617 /nfs/dbraw/zinc/15/06/17/170150617.db2.gz LLTFYPKGVYQEAF-CHWSQXEVSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@H]1[N@H+]1CCCOCC1 ZINC000061917861 170150618 /nfs/dbraw/zinc/15/06/18/170150618.db2.gz LLTFYPKGVYQEAF-CHWSQXEVSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712468 170167711 /nfs/dbraw/zinc/16/77/11/170167711.db2.gz DDPUSHHPHFFENM-JSGCOSHPSA-N 2 2 233.359 1.902 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](Cc2ccncc2)C[C@@H]1C ZINC000049712468 170167713 /nfs/dbraw/zinc/16/77/13/170167713.db2.gz DDPUSHHPHFFENM-JSGCOSHPSA-N 2 2 233.359 1.902 10 0 BDAELP CCOC(=O)C[N@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000103928658 170215851 /nfs/dbraw/zinc/21/58/51/170215851.db2.gz YKSVJLCRHAUBCT-NEPJUHHUSA-N 2 2 242.363 1.389 10 0 BDAELP CCOC(=O)C[N@@H+](C)[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000103928658 170215852 /nfs/dbraw/zinc/21/58/52/170215852.db2.gz YKSVJLCRHAUBCT-NEPJUHHUSA-N 2 2 242.363 1.389 10 0 BDAELP CCOC1CC[NH+](CC[NH2+][C@H](C)C2CC2)CC1 ZINC000053389394 170332380 /nfs/dbraw/zinc/33/23/80/170332380.db2.gz SDCMHBIAPHKXPH-GFCCVEGCSA-N 2 2 240.391 1.875 10 0 BDAELP CC[C@@H](C)NC(=O)C[NH2+]CCC[NH+](CC)CC ZINC000020052103 170740537 /nfs/dbraw/zinc/74/05/37/170740537.db2.gz HITGWWWGQJYDRM-GFCCVEGCSA-N 2 2 243.395 1.223 10 0 BDAELP CC[C@@H]1C[N@@H+](C2(C[NH3+])CCSCC2)CCO1 ZINC000042335060 171073918 /nfs/dbraw/zinc/07/39/18/171073918.db2.gz QXGFPNPKLXQPJZ-LLVKDONJSA-N 2 2 244.404 1.322 10 0 BDAELP CC[C@@H]1C[N@H+](C2(C[NH3+])CCSCC2)CCO1 ZINC000042335060 171073920 /nfs/dbraw/zinc/07/39/20/171073920.db2.gz QXGFPNPKLXQPJZ-LLVKDONJSA-N 2 2 244.404 1.322 10 0 BDAELP CC[C@@H]1C[NH2+][C@@H](C)CN1C1=[NH+]CCS1 ZINC000083347600 171100696 /nfs/dbraw/zinc/10/06/96/171100696.db2.gz PNNZHRZPGNZLTL-DTWKUNHWSA-N 2 2 213.350 1.162 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1[C@@H](C[NH3+])C(C)C ZINC000036325728 171107644 /nfs/dbraw/zinc/10/76/44/171107644.db2.gz OXWBHBKWEPKKSI-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1[C@@H](C[NH3+])C(C)(C)C ZINC000041051622 171108496 /nfs/dbraw/zinc/10/84/96/171108496.db2.gz IKPBQNLIXABLJQ-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1COCC[N@H+]1[C@@H](C[NH3+])C(C)(C)C ZINC000041051622 171108497 /nfs/dbraw/zinc/10/84/97/171108497.db2.gz IKPBQNLIXABLJQ-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052570955 171109754 /nfs/dbraw/zinc/10/97/54/171109754.db2.gz NKRAHZQCAUMBQJ-WDEREUQCSA-N 2 2 238.331 1.738 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052570955 171109755 /nfs/dbraw/zinc/10/97/55/171109755.db2.gz NKRAHZQCAUMBQJ-WDEREUQCSA-N 2 2 238.331 1.738 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(C[NH3+])no1 ZINC000052571063 171114646 /nfs/dbraw/zinc/11/46/46/171114646.db2.gz WBHHHEPGPRBWKA-MWLCHTKSSA-N 2 2 239.319 1.133 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(C[NH3+])no1 ZINC000052571063 171114649 /nfs/dbraw/zinc/11/46/49/171114649.db2.gz WBHHHEPGPRBWKA-MWLCHTKSSA-N 2 2 239.319 1.133 10 0 BDAELP CC[C@H](C)[C@@H](C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062248651 171368715 /nfs/dbraw/zinc/36/87/15/171368715.db2.gz HHJXCJLRFCUVMX-WDEREUQCSA-N 2 2 222.336 1.072 10 0 BDAELP C[C@H]1C[N@H+](CCOCc2ccccc2)C[C@H]1[NH3+] ZINC000306635819 487623537 /nfs/dbraw/zinc/62/35/37/487623537.db2.gz ALVPRXZEJRPGFM-GXTWGEPZSA-N 2 2 234.343 1.482 10 0 BDAELP C[C@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1[NH3+] ZINC000306635819 487623541 /nfs/dbraw/zinc/62/35/41/487623541.db2.gz ALVPRXZEJRPGFM-GXTWGEPZSA-N 2 2 234.343 1.482 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOC)C1 ZINC000105897094 172029258 /nfs/dbraw/zinc/02/92/58/172029258.db2.gz MGSMNAMIXDWZQB-LBPRGKRZSA-N 2 2 237.347 1.729 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOC)C1 ZINC000105897094 172029261 /nfs/dbraw/zinc/02/92/61/172029261.db2.gz MGSMNAMIXDWZQB-LBPRGKRZSA-N 2 2 237.347 1.729 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC000044561697 173004997 /nfs/dbraw/zinc/00/49/97/173004997.db2.gz ABMRURFUQAYMPY-NWDGAFQWSA-N 2 2 212.337 1.097 10 0 BDAELP C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC000044561697 173004998 /nfs/dbraw/zinc/00/49/98/173004998.db2.gz ABMRURFUQAYMPY-NWDGAFQWSA-N 2 2 212.337 1.097 10 0 BDAELP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086831281 173103262 /nfs/dbraw/zinc/10/32/62/173103262.db2.gz SZBPZEZKQGPSRT-VIFPVBQESA-N 2 2 241.722 1.478 10 0 BDAELP C[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2Cl)C1 ZINC000086831281 173103264 /nfs/dbraw/zinc/10/32/64/173103264.db2.gz SZBPZEZKQGPSRT-VIFPVBQESA-N 2 2 241.722 1.478 10 0 BDAELP C[N@@H+]1CC[C@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000037648102 173145054 /nfs/dbraw/zinc/14/50/54/173145054.db2.gz WCDPHBMOHBAIIR-NSHDSACASA-N 2 2 231.343 1.536 10 0 BDAELP C[N@H+]1CC[C@H](C[NH+]2Cc3cccc(N)c3C2)C1 ZINC000037648102 173145055 /nfs/dbraw/zinc/14/50/55/173145055.db2.gz WCDPHBMOHBAIIR-NSHDSACASA-N 2 2 231.343 1.536 10 0 BDAELP C[NH+]1CC[C@H](C[N@@H+]2Cc3cccc(N)c3C2)C1 ZINC000037648102 173145056 /nfs/dbraw/zinc/14/50/56/173145056.db2.gz WCDPHBMOHBAIIR-NSHDSACASA-N 2 2 231.343 1.536 10 0 BDAELP C[NH+]1CC[C@H](C[N@H+]2Cc3cccc(N)c3C2)C1 ZINC000037648102 173145058 /nfs/dbraw/zinc/14/50/58/173145058.db2.gz WCDPHBMOHBAIIR-NSHDSACASA-N 2 2 231.343 1.536 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1cccc(C)c1 ZINC000077299974 173352682 /nfs/dbraw/zinc/35/26/82/173352682.db2.gz QYEXAFFLRMPYDI-UHFFFAOYSA-N 2 2 206.333 1.689 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1cccc(C)c1 ZINC000077299974 173352684 /nfs/dbraw/zinc/35/26/84/173352684.db2.gz QYEXAFFLRMPYDI-UHFFFAOYSA-N 2 2 206.333 1.689 10 0 BDAELP C[NH2+]Cc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000035449777 173384283 /nfs/dbraw/zinc/38/42/83/173384283.db2.gz NTWUSGXXFUUQBF-UHFFFAOYSA-N 2 2 227.271 1.239 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000104132396 173391260 /nfs/dbraw/zinc/39/12/60/173391260.db2.gz ZFXKGYINNOBASY-NSHDSACASA-N 2 2 237.347 1.135 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000104132396 173391262 /nfs/dbraw/zinc/39/12/62/173391262.db2.gz ZFXKGYINNOBASY-NSHDSACASA-N 2 2 237.347 1.135 10 0 BDAELP COC1CC[NH+]([C@H](C[NH3+])c2ccsc2)CC1 ZINC000037265846 174030508 /nfs/dbraw/zinc/03/05/08/174030508.db2.gz AJJUHDYNDZPDHF-GFCCVEGCSA-N 2 2 240.372 1.859 10 0 BDAELP COCC[N@H+](C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000041241212 174282302 /nfs/dbraw/zinc/28/23/02/174282302.db2.gz XCYNDKTYDFJUJH-ZDUSSCGKSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000041241212 174282304 /nfs/dbraw/zinc/28/23/04/174282304.db2.gz XCYNDKTYDFJUJH-ZDUSSCGKSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@H+](C[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000042519634 174297775 /nfs/dbraw/zinc/29/77/75/174297775.db2.gz IWTODOHSHDSANR-CQSZACIVSA-N 2 2 248.370 1.667 10 0 BDAELP COCC[N@@H+](C[C@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000042519634 174297776 /nfs/dbraw/zinc/29/77/76/174297776.db2.gz IWTODOHSHDSANR-CQSZACIVSA-N 2 2 248.370 1.667 10 0 BDAELP COCC[NH2+]CC[N@@H+]1CCCc2ccccc2C1 ZINC000062945812 174332129 /nfs/dbraw/zinc/33/21/29/174332129.db2.gz CVWLQXMOKCEMIN-UHFFFAOYSA-N 2 2 248.370 1.671 10 0 BDAELP COCC[NH2+]CC[N@H+]1CCCc2ccccc2C1 ZINC000062945812 174332131 /nfs/dbraw/zinc/33/21/31/174332131.db2.gz CVWLQXMOKCEMIN-UHFFFAOYSA-N 2 2 248.370 1.671 10 0 BDAELP COc1ccc(-n2c[nH+]cc2CC[NH3+])cc1 ZINC000076646312 175045152 /nfs/dbraw/zinc/04/51/52/175045152.db2.gz GTHCFQBIDACPKH-UHFFFAOYSA-N 2 2 217.272 1.382 10 0 BDAELP COc1ccc(CC[N@H+](C)CC[NH3+])cc1OC ZINC000049829377 175089367 /nfs/dbraw/zinc/08/93/67/175089367.db2.gz RCYQJSASQWXACC-UHFFFAOYSA-N 2 2 238.331 1.137 10 0 BDAELP COc1ccc(CC[N@@H+](C)CC[NH3+])cc1OC ZINC000049829377 175089368 /nfs/dbraw/zinc/08/93/68/175089368.db2.gz RCYQJSASQWXACC-UHFFFAOYSA-N 2 2 238.331 1.137 10 0 BDAELP COc1ccc(OC)c([C@H](C[NH3+])[NH2+]C2CC2)c1 ZINC000050271236 175168999 /nfs/dbraw/zinc/16/89/99/175168999.db2.gz VCAIIDDMACLMLJ-LBPRGKRZSA-N 2 2 236.315 1.456 10 0 BDAELP COc1ccccc1OC[C@](C)(C[NH3+])[NH+](C)C ZINC000019667441 175341983 /nfs/dbraw/zinc/34/19/83/175341983.db2.gz IZNQLNOBWGMEGX-ZDUSSCGKSA-N 2 2 238.331 1.353 10 0 BDAELP C[C@@H]1COCC[N@@H+]1CC1([NH3+])CCCCC1 ZINC000035776834 176335669 /nfs/dbraw/zinc/33/56/69/176335669.db2.gz CXHVZPHOWWCCNL-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C[C@@H]1COCC[N@H+]1CC1([NH3+])CCCCC1 ZINC000035776834 176335672 /nfs/dbraw/zinc/33/56/72/176335672.db2.gz CXHVZPHOWWCCNL-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H]1CCC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052375940 177111118 /nfs/dbraw/zinc/11/11/18/177111118.db2.gz HUENTIQXFBBDGA-QMMMGPOBSA-N 2 2 211.334 1.586 10 0 BDAELP C[C@H]1CCC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052375940 177111119 /nfs/dbraw/zinc/11/11/19/177111119.db2.gz HUENTIQXFBBDGA-QMMMGPOBSA-N 2 2 211.334 1.586 10 0 BDAELP C[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665935 177156698 /nfs/dbraw/zinc/15/66/98/177156698.db2.gz WBBUZQMNIMVBKX-BETUJISGSA-N 3 2 239.407 1.543 10 0 BDAELP C[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665935 177156699 /nfs/dbraw/zinc/15/66/99/177156699.db2.gz WBBUZQMNIMVBKX-BETUJISGSA-N 3 2 239.407 1.543 10 0 BDAELP C[C@H]1CC[N@H+](CCc2ccccn2)CC[NH2+]1 ZINC000049662124 177162154 /nfs/dbraw/zinc/16/21/54/177162154.db2.gz AXAIKFGZTZMCIR-LBPRGKRZSA-N 2 2 219.332 1.308 10 0 BDAELP C[C@H]1CC[N@@H+](CCc2ccccn2)CC[NH2+]1 ZINC000049662124 177162155 /nfs/dbraw/zinc/16/21/55/177162155.db2.gz AXAIKFGZTZMCIR-LBPRGKRZSA-N 2 2 219.332 1.308 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@@H+]1CCc1ccccc1 ZINC000062609149 177174487 /nfs/dbraw/zinc/17/44/87/177174487.db2.gz QNHPZKLZYKLDAG-ZDUSSCGKSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@H+]1CCc1ccccc1 ZINC000062609149 177174489 /nfs/dbraw/zinc/17/44/89/177174489.db2.gz QNHPZKLZYKLDAG-ZDUSSCGKSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1C1(C[NH3+])CCCCC1 ZINC000035783545 177240385 /nfs/dbraw/zinc/24/03/85/177240385.db2.gz RFFQWWQVJZZLON-NEPJUHHUSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1C1(C[NH3+])CCCCC1 ZINC000035783545 177240386 /nfs/dbraw/zinc/24/03/86/177240386.db2.gz RFFQWWQVJZZLON-NEPJUHHUSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000019513905 177240666 /nfs/dbraw/zinc/24/06/66/177240666.db2.gz WQHVZTWNRVYWGI-TXEJJXNPSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000019513905 177240667 /nfs/dbraw/zinc/24/06/67/177240667.db2.gz WQHVZTWNRVYWGI-TXEJJXNPSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@H]1C[NH+](C2(C[NH3+])CCSCC2)C[C@H](C)O1 ZINC000042334904 177240912 /nfs/dbraw/zinc/24/09/12/177240912.db2.gz VMAMFUGCWMBGTK-QWRGUYRKSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@H]1C[N@H+](CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593521 177255005 /nfs/dbraw/zinc/25/50/05/177255005.db2.gz DMRUWCINOKHEND-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000020593521 177255007 /nfs/dbraw/zinc/25/50/07/177255007.db2.gz DMRUWCINOKHEND-RYUDHWBXSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H]1C[NH+]=C(N[C@@H]2CCC[N@@H+](C)C2)S1 ZINC000040715975 177282080 /nfs/dbraw/zinc/28/20/80/177282080.db2.gz LPJGVQRHWRFWQT-DTWKUNHWSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@H]1C[NH+]=C(N[C@@H]2CCC[N@H+](C)C2)S1 ZINC000040715975 177282079 /nfs/dbraw/zinc/28/20/79/177282079.db2.gz LPJGVQRHWRFWQT-DTWKUNHWSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H](C)C[N@H+](C2CC[NH+](C)CC2)C1 ZINC000049665945 177285129 /nfs/dbraw/zinc/28/51/29/177285129.db2.gz OBFAMWTUKLPPTM-BETUJISGSA-N 3 2 239.407 1.258 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H](C)C[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000049665945 177285131 /nfs/dbraw/zinc/28/51/31/177285131.db2.gz OBFAMWTUKLPPTM-BETUJISGSA-N 3 2 239.407 1.258 10 0 BDAELP C[C@H]1COCC[N@@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000035776371 177292291 /nfs/dbraw/zinc/29/22/91/177292291.db2.gz HSEMNUZKBBPTFB-JTQLQIEISA-N 2 2 233.315 1.191 10 0 BDAELP C[C@H]1COCC[N@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000035776371 177292292 /nfs/dbraw/zinc/29/22/92/177292292.db2.gz HSEMNUZKBBPTFB-JTQLQIEISA-N 2 2 233.315 1.191 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000389540641 487827488 /nfs/dbraw/zinc/82/74/88/487827488.db2.gz KEAKUHDBLQQVFE-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](OC)C2)C1 ZINC000389540641 487827494 /nfs/dbraw/zinc/82/74/94/487827494.db2.gz KEAKUHDBLQQVFE-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142399 488079436 /nfs/dbraw/zinc/07/94/36/488079436.db2.gz HLXFLALDWIGOBT-GXTWGEPZSA-N 3 2 239.407 1.401 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000389142399 488079440 /nfs/dbraw/zinc/07/94/40/488079440.db2.gz HLXFLALDWIGOBT-GXTWGEPZSA-N 3 2 239.407 1.401 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCOC1 ZINC000070013395 490196432 /nfs/dbraw/zinc/19/64/32/490196432.db2.gz JTCUAKFEKZXZSJ-QWHCGFSZSA-N 2 2 228.380 1.731 10 0 BDAELP CC[C@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1[NH3+] ZINC000251729806 491079606 /nfs/dbraw/zinc/07/96/06/491079606.db2.gz KIQCTMDKZCHJAD-WDEREUQCSA-N 2 2 220.320 1.349 10 0 BDAELP CC[C@@H]1CN(c2cc[nH+]c(C)n2)CC[C@H]1[NH3+] ZINC000251729799 491079608 /nfs/dbraw/zinc/07/96/08/491079608.db2.gz KIQCTMDKZCHJAD-GHMZBOCLSA-N 2 2 220.320 1.349 10 0 BDAELP CC[C@@H](C)C[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000309236846 491146556 /nfs/dbraw/zinc/14/65/56/491146556.db2.gz XRKHNUSBWGTSOW-NEPJUHHUSA-N 2 2 214.353 1.079 10 0 BDAELP CC[C@@H](C)C[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000309236846 491146557 /nfs/dbraw/zinc/14/65/57/491146557.db2.gz XRKHNUSBWGTSOW-NEPJUHHUSA-N 2 2 214.353 1.079 10 0 BDAELP CC[C@@H](CC(F)F)C[N@@H+]1CC[C@H]1C[NH3+] ZINC000757146388 582529852 /nfs/dbraw/zinc/52/98/52/582529852.db2.gz NIFITUALVBMXDL-IUCAKERBSA-N 2 2 206.280 1.701 10 0 BDAELP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H]1C[NH3+] ZINC000757146388 582529854 /nfs/dbraw/zinc/52/98/54/582529854.db2.gz NIFITUALVBMXDL-IUCAKERBSA-N 2 2 206.280 1.701 10 0 BDAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC000757155942 582539804 /nfs/dbraw/zinc/53/98/04/582539804.db2.gz JDRQYOSDJRNKNY-IUCAKERBSA-N 2 2 204.264 1.455 10 0 BDAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC000757155942 582539808 /nfs/dbraw/zinc/53/98/08/582539808.db2.gz JDRQYOSDJRNKNY-IUCAKERBSA-N 2 2 204.264 1.455 10 0 BDAELP CC[NH2+]C[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000259163307 582807238 /nfs/dbraw/zinc/80/72/38/582807238.db2.gz DQJRBQGMSNHLGY-NSHDSACASA-N 2 2 206.289 1.231 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591213 529083182 /nfs/dbraw/zinc/08/31/82/529083182.db2.gz UJRHMRDPKHDCKR-JHJVBQTASA-N 3 2 225.380 1.058 10 0 BDAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591213 529083184 /nfs/dbraw/zinc/08/31/84/529083184.db2.gz UJRHMRDPKHDCKR-JHJVBQTASA-N 3 2 225.380 1.058 10 0 BDAELP c1ccc(C[C@H]2CCOC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC000757153940 582539208 /nfs/dbraw/zinc/53/92/08/582539208.db2.gz YOCTXEBARZTVEZ-CQSZACIVSA-N 2 2 246.354 1.687 10 0 BDAELP C1CCC2(CC1)CCO[C@]1(CCC[NH2+]C1)[NH2+]2 ZINC000757151705 586429592 /nfs/dbraw/zinc/42/95/92/586429592.db2.gz RGHBWAMSFWNANF-ZDUSSCGKSA-N 2 2 224.348 1.779 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@H]1c1cnn(C(C)(C)C)c1 ZINC000757229298 586442778 /nfs/dbraw/zinc/44/27/78/586442778.db2.gz DPEMLNDRVLDJIO-ADEWGFFLSA-N 2 2 236.363 1.636 10 0 BDAELP [NH3+]Cc1cc([C@H]2[NH2+]CCC[C@H]2[NH3+])ccc1C1CC1 ZINC000757231393 586443270 /nfs/dbraw/zinc/44/32/70/586443270.db2.gz HRTBSQRFHITOCN-HUUCEWRRSA-N 3 2 245.370 1.775 10 0 BDAELP C[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000107770314 592705488 /nfs/dbraw/zinc/70/54/88/592705488.db2.gz BAXJMHFIUNXTLR-CQSZACIVSA-N 2 2 218.344 1.913 10 0 BDAELP C[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000107770314 592705491 /nfs/dbraw/zinc/70/54/91/592705491.db2.gz BAXJMHFIUNXTLR-CQSZACIVSA-N 2 2 218.344 1.913 10 0 BDAELP C(C[NH2+]C1CC1)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043427157 638317262 /nfs/dbraw/zinc/31/72/62/638317262.db2.gz HQPUSMQUEZYYLJ-ZIAGYGMSSA-N 2 2 238.375 1.772 10 0 BDAELP C(C[NH2+]C1CC1)C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000043427157 638317271 /nfs/dbraw/zinc/31/72/71/638317271.db2.gz HQPUSMQUEZYYLJ-ZIAGYGMSSA-N 2 2 238.375 1.772 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249074626 644711586 /nfs/dbraw/zinc/71/15/86/644711586.db2.gz ARNSEEIUQXMHOI-MCIONIFRSA-N 2 2 238.375 1.997 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000249074626 644711596 /nfs/dbraw/zinc/71/15/96/644711596.db2.gz ARNSEEIUQXMHOI-MCIONIFRSA-N 2 2 238.375 1.997 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715425999 712518932 /nfs/dbraw/zinc/51/89/32/712518932.db2.gz KLDDPIBWEADNNC-YNEHKIRRSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H]1CC[C@H](C2CC2)O1 ZINC000715425999 712518933 /nfs/dbraw/zinc/51/89/33/712518933.db2.gz KLDDPIBWEADNNC-YNEHKIRRSA-N 2 2 224.348 1.367 10 0 BDAELP Cc1conc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000720378511 712836892 /nfs/dbraw/zinc/83/68/92/712836892.db2.gz HPFIWZVBAFZRAK-GARJFASQSA-N 2 2 221.304 1.152 10 0 BDAELP Cc1conc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000720378511 712836891 /nfs/dbraw/zinc/83/68/91/712836891.db2.gz HPFIWZVBAFZRAK-GARJFASQSA-N 2 2 221.304 1.152 10 0 BDAELP COc1ccc[nH+]c1NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721099053 712891192 /nfs/dbraw/zinc/89/11/92/712891192.db2.gz WDXSGXMERWLXAX-GHMZBOCLSA-N 2 2 235.331 1.748 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H]1c1ccccc1CO ZINC000616611865 349473527 /nfs/dbraw/zinc/47/35/27/349473527.db2.gz VUZNRMKNQICFNC-AWEZNQCLSA-N 2 2 234.343 1.665 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H]1c1ccccc1CO ZINC000616611865 349473529 /nfs/dbraw/zinc/47/35/29/349473529.db2.gz VUZNRMKNQICFNC-AWEZNQCLSA-N 2 2 234.343 1.665 10 0 BDAELP Cc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)oc1C[NH3+] ZINC000052476551 178006558 /nfs/dbraw/zinc/00/65/58/178006558.db2.gz MNBYIGOYIVNTFH-WDEREUQCSA-N 2 2 238.331 1.656 10 0 BDAELP Cc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)oc1C[NH3+] ZINC000052476551 178006560 /nfs/dbraw/zinc/00/65/60/178006560.db2.gz MNBYIGOYIVNTFH-WDEREUQCSA-N 2 2 238.331 1.656 10 0 BDAELP Cc1cc(N(CC[NH3+])C2CCCC2)nc[nH+]1 ZINC000053706266 178102533 /nfs/dbraw/zinc/10/25/33/178102533.db2.gz UVRYVNXVTLWMLM-UHFFFAOYSA-N 2 2 220.320 1.493 10 0 BDAELP CC(C)[C@@H](CCO)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386375235 398207516 /nfs/dbraw/zinc/20/75/16/398207516.db2.gz ZMPPKLOPPQWGBX-VXGBXAGGSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)[C@@H](CCO)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386375235 398207524 /nfs/dbraw/zinc/20/75/24/398207524.db2.gz ZMPPKLOPPQWGBX-VXGBXAGGSA-N 2 2 214.353 1.077 10 0 BDAELP CC[C@@]1([NH2+]C[C@H]2CCC[N@@H+]2C)CCOC1 ZINC000386519740 398211768 /nfs/dbraw/zinc/21/17/68/398211768.db2.gz DMCXYYNGUBXGAY-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CC[C@@]1([NH2+]C[C@H]2CCC[N@H+]2C)CCOC1 ZINC000386519740 398211771 /nfs/dbraw/zinc/21/17/71/398211771.db2.gz DMCXYYNGUBXGAY-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP Cc1cc([C@@H]([NH3+])C[NH3+])c(F)cc1Cl ZINC000072200610 178235337 /nfs/dbraw/zinc/23/53/37/178235337.db2.gz CKPIORYIQXECIO-VIFPVBQESA-N 2 2 202.660 1.746 10 0 BDAELP Cc1cc2[nH+]cn([C@@H]3C[NH2+]C[C@H]3O)c2cc1C ZINC000104253789 178304763 /nfs/dbraw/zinc/30/47/63/178304763.db2.gz HLUYWWGNOZFOCE-CHWSQXEVSA-N 2 2 231.299 1.158 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000382169600 398256103 /nfs/dbraw/zinc/25/61/03/398256103.db2.gz VZUAYYYAXUOGEL-NEPJUHHUSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000382169600 398256104 /nfs/dbraw/zinc/25/61/04/398256104.db2.gz VZUAYYYAXUOGEL-NEPJUHHUSA-N 2 2 212.337 1.095 10 0 BDAELP Cc1ccc(Br)cc1[C@@H]([NH3+])C[NH3+] ZINC000072201230 178362376 /nfs/dbraw/zinc/36/23/76/178362376.db2.gz VDJWBIHLYMAQPS-VIFPVBQESA-N 2 2 229.121 1.716 10 0 BDAELP CC[N@H+](CC(C)C)C[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040637475 538971533 /nfs/dbraw/zinc/97/15/33/538971533.db2.gz WYEWDRZAMKACDW-RYUDHWBXSA-N 2 2 214.353 1.341 10 0 BDAELP CC[N@@H+](CC(C)C)C[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040637475 538971535 /nfs/dbraw/zinc/97/15/35/538971535.db2.gz WYEWDRZAMKACDW-RYUDHWBXSA-N 2 2 214.353 1.341 10 0 BDAELP Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000185223782 538970380 /nfs/dbraw/zinc/97/03/80/538970380.db2.gz BTVFETGANIYEAW-CYBMUJFWSA-N 2 2 245.330 1.579 10 0 BDAELP [NH3+]CCNc1cc(N2CCCCCC2)[nH+]cn1 ZINC000258961623 342807755 /nfs/dbraw/zinc/80/77/55/342807755.db2.gz MRGANSRJYNMZSX-UHFFFAOYSA-N 2 2 235.335 1.228 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C2CC(OC)C2)[C@@H](C)C1 ZINC000379948206 538982163 /nfs/dbraw/zinc/98/21/63/538982163.db2.gz RVHQSAAZNXSOJS-XKGSQUFQSA-N 2 2 212.337 1.094 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C2CC(OC)C2)[C@@H](C)C1 ZINC000379948206 538982164 /nfs/dbraw/zinc/98/21/64/538982164.db2.gz RVHQSAAZNXSOJS-XKGSQUFQSA-N 2 2 212.337 1.094 10 0 BDAELP CCOC1CC([NH2+][C@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000381458990 539000997 /nfs/dbraw/zinc/00/09/97/539000997.db2.gz KJKZNWBUFWMUOD-XVSSEFHLSA-N 2 2 226.364 1.484 10 0 BDAELP CCOC1CC([NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000381458990 539000998 /nfs/dbraw/zinc/00/09/98/539000998.db2.gz KJKZNWBUFWMUOD-XVSSEFHLSA-N 2 2 226.364 1.484 10 0 BDAELP C([NH2+]C1CCCC1)[C@@H]1CSCC[NH2+]1 ZINC000127079434 342836864 /nfs/dbraw/zinc/83/68/64/342836864.db2.gz QUEHZKOOTJLHNY-SNVBAGLBSA-N 2 2 200.351 1.224 10 0 BDAELP Cc1ccc([C@H](C[NH3+])n2cc[nH+]c2)s1 ZINC000043243449 343015886 /nfs/dbraw/zinc/01/58/86/343015886.db2.gz JNPALXGWBJXQFR-VIFPVBQESA-N 2 2 207.302 1.801 10 0 BDAELP CC(C)(C)[C@H]([NH3+])C[NH+]1CCSCC1 ZINC000157774195 343361920 /nfs/dbraw/zinc/36/19/20/343361920.db2.gz YNUXKLMLNIJYTC-SECBINFHSA-N 2 2 202.367 1.409 10 0 BDAELP [NH3+][C@H](c1cccc(O)c1)[C@H]([NH3+])c1cccc(O)c1 ZINC000019363826 343561713 /nfs/dbraw/zinc/56/17/13/343561713.db2.gz HCCRMMATDZHBIZ-ZIAGYGMSSA-N 2 2 244.294 1.798 10 0 BDAELP [NH3+]CC[N@@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429600 343806070 /nfs/dbraw/zinc/80/60/70/343806070.db2.gz OTQJLZQOJWJNRS-RKDXNWHRSA-N 2 2 204.264 1.312 10 0 BDAELP [NH3+]CC[N@H+]1C[C@H]2CCCC(F)(F)[C@@H]2C1 ZINC000409429600 343806071 /nfs/dbraw/zinc/80/60/71/343806071.db2.gz OTQJLZQOJWJNRS-RKDXNWHRSA-N 2 2 204.264 1.312 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1cncc(Br)c1 ZINC000135129157 343940245 /nfs/dbraw/zinc/94/02/45/343940245.db2.gz WMMHEJGERUMIEK-QMMMGPOBSA-N 2 2 230.109 1.063 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H]([NH+]2CCSCC2)C1 ZINC000401956747 344082907 /nfs/dbraw/zinc/08/29/07/344082907.db2.gz PBRGPUOWIPQJKO-VHSXEESVSA-N 2 2 200.351 1.033 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616611217 344492873 /nfs/dbraw/zinc/49/28/73/344492873.db2.gz BMXYBHCMKXBAAL-OAHLLOKOSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616611217 344492875 /nfs/dbraw/zinc/49/28/75/344492875.db2.gz BMXYBHCMKXBAAL-OAHLLOKOSA-N 2 2 241.338 1.983 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@H+]1C1(C[NH3+])CC1 ZINC000235375565 344897350 /nfs/dbraw/zinc/89/73/50/344897350.db2.gz NGRUAXCRKSMJOL-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@@H+]1C1(C[NH3+])CC1 ZINC000235375565 344897351 /nfs/dbraw/zinc/89/73/51/344897351.db2.gz NGRUAXCRKSMJOL-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000061588926 344978795 /nfs/dbraw/zinc/97/87/95/344978795.db2.gz NUXWUUUKNVCCEB-NWDGAFQWSA-N 2 2 228.405 1.956 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000061588926 344978796 /nfs/dbraw/zinc/97/87/96/344978796.db2.gz NUXWUUUKNVCCEB-NWDGAFQWSA-N 2 2 228.405 1.956 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1c(Cl)cncc1Cl ZINC000044472406 345090266 /nfs/dbraw/zinc/09/02/66/345090266.db2.gz UMTLLUASPZQOSO-ZCFIWIBFSA-N 2 2 206.076 1.347 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cscc1Br ZINC000044476951 345090657 /nfs/dbraw/zinc/09/06/57/345090657.db2.gz GEVZBYHRIOSVKZ-ZCFIWIBFSA-N 2 2 221.123 1.469 10 0 BDAELP COc1cc(C(F)(F)F)ccc1[C@@H]([NH3+])C[NH3+] ZINC000044473199 345090846 /nfs/dbraw/zinc/09/08/46/345090846.db2.gz DXIUYYWLUCNCBI-QMMMGPOBSA-N 2 2 234.221 1.673 10 0 BDAELP Cc1cc([C@@H]([NH3+])C[NH3+])sc1Br ZINC000044476980 345090956 /nfs/dbraw/zinc/09/09/56/345090956.db2.gz UHBZWSOKDDXDHO-YFKPBYRVSA-N 2 2 235.150 1.778 10 0 BDAELP C[C@@H]1CCSC(N[C@@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000133523947 345378529 /nfs/dbraw/zinc/37/85/29/345378529.db2.gz FTJQSJPZZGCTDX-RKDXNWHRSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@@H]1CCSC(N[C@@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000133523947 345378530 /nfs/dbraw/zinc/37/85/30/345378530.db2.gz FTJQSJPZZGCTDX-RKDXNWHRSA-N 2 2 213.350 1.162 10 0 BDAELP CCC1CC[NH+]([C@@H]2COCC[C@@H]2[NH2+]C)CC1 ZINC000043913317 168530154 /nfs/dbraw/zinc/53/01/54/168530154.db2.gz KODWOWDUWLIQFF-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)c1nc(N2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000212411477 345733258 /nfs/dbraw/zinc/73/32/58/345733258.db2.gz LUPKKMGAZBQMFL-SNVBAGLBSA-N 2 2 220.320 1.528 10 0 BDAELP CC(C)c1nc(N(C)[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000212403612 345733468 /nfs/dbraw/zinc/73/34/68/345733468.db2.gz VDXHGCQEYZRMBH-SNVBAGLBSA-N 2 2 220.320 1.398 10 0 BDAELP CC[C@H](C)Nc1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000258904100 345787134 /nfs/dbraw/zinc/78/71/34/345787134.db2.gz GSUBJWREUDDHGW-JTQLQIEISA-N 2 2 235.335 1.097 10 0 BDAELP Cc1cc(N[C@@H](CC[NH3+])C(F)F)nc[nH+]1 ZINC000394773159 323108666 /nfs/dbraw/zinc/10/86/66/323108666.db2.gz GKFUOHYVTQOGRG-ZETCQYMHSA-N 2 2 216.235 1.179 10 0 BDAELP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)cn2)n1C ZINC000641765854 362697911 /nfs/dbraw/zinc/69/79/11/362697911.db2.gz ALINTHAASIIKBA-UHFFFAOYSA-N 2 2 230.315 1.722 10 0 BDAELP C[NH2+]C[C@@H]1CCN(c2[nH+]cccc2OC)C1 ZINC000160282714 346446027 /nfs/dbraw/zinc/44/60/27/346446027.db2.gz WMNHEOHPEKJSOK-JTQLQIEISA-N 2 2 221.304 1.136 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000250769115 362819660 /nfs/dbraw/zinc/81/96/60/362819660.db2.gz UGRQPHDEBWEZCF-QWRGUYRKSA-N 2 2 210.321 1.039 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCCC2=O)C1 ZINC000250769115 362819666 /nfs/dbraw/zinc/81/96/66/362819666.db2.gz UGRQPHDEBWEZCF-QWRGUYRKSA-N 2 2 210.321 1.039 10 0 BDAELP Cc1ccccc1C[N@H+](CC[NH3+])C[C@@H]1CCCO1 ZINC000032103941 179271465 /nfs/dbraw/zinc/27/14/65/179271465.db2.gz GPANQMPQLINUGV-HNNXBMFYSA-N 2 2 248.370 1.935 10 0 BDAELP Cc1ccccc1C[N@@H+](CC[NH3+])C[C@@H]1CCCO1 ZINC000032103941 179271468 /nfs/dbraw/zinc/27/14/68/179271468.db2.gz GPANQMPQLINUGV-HNNXBMFYSA-N 2 2 248.370 1.935 10 0 BDAELP Cc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](C)C[NH3+] ZINC000042455920 179299466 /nfs/dbraw/zinc/29/94/66/179299466.db2.gz UPFWSWGJFXJWGB-NSHDSACASA-N 2 2 249.358 1.460 10 0 BDAELP Cc1ccccc1NC(=O)C[N@H+](C)C[C@@H](C)C[NH3+] ZINC000042455920 179299468 /nfs/dbraw/zinc/29/94/68/179299468.db2.gz UPFWSWGJFXJWGB-NSHDSACASA-N 2 2 249.358 1.460 10 0 BDAELP C[C@@]([NH3+])(C[NH+]1CCSCC1)C1CC1 ZINC000037479192 348617634 /nfs/dbraw/zinc/61/76/34/348617634.db2.gz BZYGYLFKNILZQC-SNVBAGLBSA-N 2 2 200.351 1.163 10 0 BDAELP COC[C@H](C)C[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000246164387 349094489 /nfs/dbraw/zinc/09/44/89/349094489.db2.gz DPYOCDNTDIEKOG-FRRDWIJNSA-N 2 2 228.380 1.587 10 0 BDAELP COC[C@H](C)C[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000246164387 349094492 /nfs/dbraw/zinc/09/44/92/349094492.db2.gz DPYOCDNTDIEKOG-FRRDWIJNSA-N 2 2 228.380 1.587 10 0 BDAELP C1CC12[C@@H]([NH2+]C1CCC1)C1CC[NH+]2CC1 ZINC000616576854 349097225 /nfs/dbraw/zinc/09/72/25/349097225.db2.gz FXGKXEXVIBMRKQ-LBPRGKRZSA-N 2 2 206.333 1.755 10 0 BDAELP Cc1[nH]c2ccc(CCC[N@H+](C)CC[NH3+])cc2[nH+]1 ZINC000077403828 180077852 /nfs/dbraw/zinc/07/78/52/180077852.db2.gz KQHBEEPYZVHYAS-UHFFFAOYSA-N 3 2 246.358 1.694 10 0 BDAELP Cc1[nH]c2ccc(CCC[N@@H+](C)CC[NH3+])cc2[nH+]1 ZINC000077403828 180077854 /nfs/dbraw/zinc/07/78/54/180077854.db2.gz KQHBEEPYZVHYAS-UHFFFAOYSA-N 3 2 246.358 1.694 10 0 BDAELP Cc1[nH+]c2ccccc2n1C[C@H](O)C[NH2+]C1CC1 ZINC000036950732 180104402 /nfs/dbraw/zinc/10/44/02/180104402.db2.gz UFUDEJCDWDPEPZ-GFCCVEGCSA-N 2 2 245.326 1.458 10 0 BDAELP Cc1nccc(C[N@H+]2CC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000053034044 180185997 /nfs/dbraw/zinc/18/59/97/180185997.db2.gz GLXXGFKGUWFQEU-CYBMUJFWSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nccc(C[N@@H+]2CC[C@H](C[NH2+]C(C)C)C2)n1 ZINC000053034044 180186000 /nfs/dbraw/zinc/18/60/00/180186000.db2.gz GLXXGFKGUWFQEU-CYBMUJFWSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1[nH+]ccn1CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104449611 180251272 /nfs/dbraw/zinc/25/12/72/180251272.db2.gz SFWIEOKRYNBEGJ-NSHDSACASA-N 3 2 236.363 1.251 10 0 BDAELP Cc1[nH+]cnc(NCC2CC[NH2+]CC2)c1C ZINC000045954773 180291503 /nfs/dbraw/zinc/29/15/03/180291503.db2.gz QRFJVYMEVDTMOO-UHFFFAOYSA-N 2 2 220.320 1.505 10 0 BDAELP Cc1[nH+]cn(C[C@@H]([NH3+])c2ccco2)c1C ZINC000040544031 180287178 /nfs/dbraw/zinc/28/71/78/180287178.db2.gz PUTWFFZOMGPWIX-SNVBAGLBSA-N 2 2 205.261 1.793 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000308115227 350529414 /nfs/dbraw/zinc/52/94/14/350529414.db2.gz WJWQHBJCNRSDNV-FGRQDEOASA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CC[C@H](C)[C@H]([NH3+])C1 ZINC000308115227 350529418 /nfs/dbraw/zinc/52/94/18/350529418.db2.gz WJWQHBJCNRSDNV-FGRQDEOASA-N 2 2 202.729 1.798 10 0 BDAELP COc1ccc[nH+]c1NC[C@@H]1CCC[NH2+]C1 ZINC000159439705 350532674 /nfs/dbraw/zinc/53/26/74/350532674.db2.gz KLOWXDQGYLWOTH-SNVBAGLBSA-N 2 2 221.304 1.502 10 0 BDAELP C[N@@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616594745 350597180 /nfs/dbraw/zinc/59/71/80/350597180.db2.gz RESOIYJVMKUMKK-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCO[C@@H](c2ccc[nH+]c2N)CC1 ZINC000616594745 350597184 /nfs/dbraw/zinc/59/71/84/350597184.db2.gz RESOIYJVMKUMKK-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccc2nnccc2c1 ZINC000616608188 350799604 /nfs/dbraw/zinc/79/96/04/350799604.db2.gz NHCOJFGAOJWUKG-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccc2nnccc2c1 ZINC000616608188 350799606 /nfs/dbraw/zinc/79/96/06/350799606.db2.gz NHCOJFGAOJWUKG-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP Cc1[nH]c(C[NH2+][C@@H]2CCCSC2)c[nH+]1 ZINC000129233398 351014133 /nfs/dbraw/zinc/01/41/33/351014133.db2.gz UYCCTWPUWBSDQS-SECBINFHSA-N 2 2 211.334 1.703 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccnnc2)C1 ZINC000616629916 351101539 /nfs/dbraw/zinc/10/15/39/351101539.db2.gz WKZGPGKYCVMYHT-LBPRGKRZSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccnnc2)C1 ZINC000616629916 351101541 /nfs/dbraw/zinc/10/15/41/351101541.db2.gz WKZGPGKYCVMYHT-LBPRGKRZSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccno2)CC1 ZINC000616627373 351094598 /nfs/dbraw/zinc/09/45/98/351094598.db2.gz LARJQESBMWVMMU-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccno2)CC1 ZINC000616627373 351094600 /nfs/dbraw/zinc/09/46/00/351094600.db2.gz LARJQESBMWVMMU-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2cccnn2)C1 ZINC000616628369 351097990 /nfs/dbraw/zinc/09/79/90/351097990.db2.gz KDQDKACLUNZOTD-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2cccnn2)C1 ZINC000616628369 351097993 /nfs/dbraw/zinc/09/79/93/351097993.db2.gz KDQDKACLUNZOTD-LLVKDONJSA-N 2 2 220.320 1.005 10 0 BDAELP CC[N@@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616687020 351255675 /nfs/dbraw/zinc/25/56/75/351255675.db2.gz QKTXJBHJQLEHRM-LBPRGKRZSA-N 2 2 221.304 1.562 10 0 BDAELP CC[N@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616687020 351255676 /nfs/dbraw/zinc/25/56/76/351255676.db2.gz QKTXJBHJQLEHRM-LBPRGKRZSA-N 2 2 221.304 1.562 10 0 BDAELP CC(C)[N@@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616687451 351258745 /nfs/dbraw/zinc/25/87/45/351258745.db2.gz YXLKXSFHBVIBQA-ZDUSSCGKSA-N 2 2 235.331 1.950 10 0 BDAELP CC(C)[N@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616687451 351258748 /nfs/dbraw/zinc/25/87/48/351258748.db2.gz YXLKXSFHBVIBQA-ZDUSSCGKSA-N 2 2 235.331 1.950 10 0 BDAELP [NH3+][C@H]1CC[C@@H]([N@@H+]2CCC=C(Br)C2)C1 ZINC000404407176 351426838 /nfs/dbraw/zinc/42/68/38/351426838.db2.gz XQWOBPKTXZIMKY-VHSXEESVSA-N 2 2 245.164 1.851 10 0 BDAELP [NH3+][C@H]1CC[C@@H]([N@H+]2CCC=C(Br)C2)C1 ZINC000404407176 351426842 /nfs/dbraw/zinc/42/68/42/351426842.db2.gz XQWOBPKTXZIMKY-VHSXEESVSA-N 2 2 245.164 1.851 10 0 BDAELP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CSC1(C)C ZINC000307163144 351528744 /nfs/dbraw/zinc/52/87/44/351528744.db2.gz LONOGMCKXVCWFC-ZJUUUORDSA-N 2 2 214.378 1.564 10 0 BDAELP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CSC1(C)C ZINC000307163144 351528750 /nfs/dbraw/zinc/52/87/50/351528750.db2.gz LONOGMCKXVCWFC-ZJUUUORDSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+]1C ZINC000307485714 352620730 /nfs/dbraw/zinc/62/07/30/352620730.db2.gz BHFXLHOBJFAKQW-HXFLIBJXSA-N 2 2 204.264 1.322 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+]1C ZINC000307485714 352620733 /nfs/dbraw/zinc/62/07/33/352620733.db2.gz BHFXLHOBJFAKQW-HXFLIBJXSA-N 2 2 204.264 1.322 10 0 BDAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000307628938 352706163 /nfs/dbraw/zinc/70/61/63/352706163.db2.gz MRNHIVJCNPPTDQ-RKDXNWHRSA-N 2 2 210.346 1.842 10 0 BDAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000307628938 352706166 /nfs/dbraw/zinc/70/61/66/352706166.db2.gz MRNHIVJCNPPTDQ-RKDXNWHRSA-N 2 2 210.346 1.842 10 0 BDAELP C[NH2+][C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000229284110 352750010 /nfs/dbraw/zinc/75/00/10/352750010.db2.gz TZWBFSPSGAFMNE-NSHDSACASA-N 2 2 214.378 1.423 10 0 BDAELP C[NH2+][C@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000229284110 352750014 /nfs/dbraw/zinc/75/00/14/352750014.db2.gz TZWBFSPSGAFMNE-NSHDSACASA-N 2 2 214.378 1.423 10 0 BDAELP CC(C)([NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000040921402 188256265 /nfs/dbraw/zinc/25/62/65/188256265.db2.gz BGXHYLDAZHIPDB-UHFFFAOYSA-N 2 2 244.298 1.548 10 0 BDAELP Cc1ccc(OCC[C@@H](C[NH3+])[NH+](C)C)cc1 ZINC000019663674 188281576 /nfs/dbraw/zinc/28/15/76/188281576.db2.gz ZNMWEMCDPULQMN-LBPRGKRZSA-N 2 2 222.332 1.653 10 0 BDAELP CC(C)=CC[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000038006346 188289905 /nfs/dbraw/zinc/28/99/05/188289905.db2.gz ALMDOJBCSYYGDJ-UHFFFAOYSA-N 2 2 248.374 1.930 10 0 BDAELP Cc1[nH+]ccn1CC[NH2+][C@H](C)C[NH+]1CCCC1 ZINC000049330437 188298408 /nfs/dbraw/zinc/29/84/08/188298408.db2.gz IKCVBAYENFLBCY-GFCCVEGCSA-N 3 2 236.363 1.265 10 0 BDAELP CN(c1ccc(N)[nH+]c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053205893 188300508 /nfs/dbraw/zinc/30/05/08/188300508.db2.gz GCCVEFIRGXKBCH-LLVKDONJSA-N 2 2 220.320 1.194 10 0 BDAELP CN(c1ccc(N)[nH+]c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000053205893 188300510 /nfs/dbraw/zinc/30/05/10/188300510.db2.gz GCCVEFIRGXKBCH-LLVKDONJSA-N 2 2 220.320 1.194 10 0 BDAELP CCCn1ccnc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000061880876 188302637 /nfs/dbraw/zinc/30/26/37/188302637.db2.gz BNXJGVPDHVHZLN-LBPRGKRZSA-N 2 2 238.379 1.723 10 0 BDAELP CCCn1cc[nH+]c1CN[C@@H](C)CC[NH+](C)C ZINC000061880876 188302638 /nfs/dbraw/zinc/30/26/38/188302638.db2.gz BNXJGVPDHVHZLN-LBPRGKRZSA-N 2 2 238.379 1.723 10 0 BDAELP Cc1ccc[nH+]c1NC1CC[NH+](C)CC1 ZINC000051040903 188330351 /nfs/dbraw/zinc/33/03/51/188330351.db2.gz JENYKMCIDGAMFC-UHFFFAOYSA-N 2 2 205.305 1.896 10 0 BDAELP CC[C@H]1C[NH2+]CC[C@@]12[NH2+]CCCS2 ZINC000229823269 355419638 /nfs/dbraw/zinc/41/96/38/355419638.db2.gz PIEFSPJPZJWQET-UWVGGRQHSA-N 2 2 200.351 1.429 10 0 BDAELP NC(=[NH2+])SC[C@@H]1C[NH+]=C(N2CCCC2)S1 ZINC000004110866 181191957 /nfs/dbraw/zinc/19/19/57/181191957.db2.gz SQWIQKXKQHCUOP-ZETCQYMHSA-N 2 2 244.389 1.180 10 0 BDAELP [NH2+]=C(Nc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000052045935 181200145 /nfs/dbraw/zinc/20/01/45/181200145.db2.gz QXXAIWYWPLZBIR-UHFFFAOYSA-N 2 2 244.342 1.813 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000389069141 355606109 /nfs/dbraw/zinc/60/61/09/355606109.db2.gz LWCMFWQSUDNILN-UPJWGTAASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)C1 ZINC000389069141 355606112 /nfs/dbraw/zinc/60/61/12/355606112.db2.gz LWCMFWQSUDNILN-UPJWGTAASA-N 2 2 226.364 1.485 10 0 BDAELP c1cc(NC[C@H]2CCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000212229133 355579441 /nfs/dbraw/zinc/57/94/41/355579441.db2.gz KEKDLBPEBHFREI-SNVBAGLBSA-N 2 2 218.304 1.518 10 0 BDAELP CC[C@H](C[NH3+])[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223362592 355773913 /nfs/dbraw/zinc/77/39/13/355773913.db2.gz QCHAGPQWLKQHFT-NXEZZACHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H](C[NH3+])[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223362592 355773916 /nfs/dbraw/zinc/77/39/16/355773916.db2.gz QCHAGPQWLKQHFT-NXEZZACHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)C1 ZINC000389139830 355730610 /nfs/dbraw/zinc/73/06/10/355730610.db2.gz GUKJVMRTDQAHTR-GHMZBOCLSA-N 2 2 214.353 1.484 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)C1 ZINC000389139830 355730612 /nfs/dbraw/zinc/73/06/12/355730612.db2.gz GUKJVMRTDQAHTR-GHMZBOCLSA-N 2 2 214.353 1.484 10 0 BDAELP C[C@H]([C@H](C)[NH3+])[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223376087 355803822 /nfs/dbraw/zinc/80/38/22/355803822.db2.gz PVTYKQLPBOVJQQ-KXUCPTDWSA-N 2 2 200.326 1.221 10 0 BDAELP C[C@H]([C@H](C)[NH3+])[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223376087 355803826 /nfs/dbraw/zinc/80/38/26/355803826.db2.gz PVTYKQLPBOVJQQ-KXUCPTDWSA-N 2 2 200.326 1.221 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000336192994 134124156 /nfs/dbraw/zinc/12/41/56/134124156.db2.gz HPJGSGXIZRRSQN-NEPJUHHUSA-N 2 2 236.363 1.646 10 0 BDAELP [NH3+][C@H]1C=C(c2ccc(Cl)cc2F)C[NH2+]C1 ZINC000675079350 538517943 /nfs/dbraw/zinc/51/79/43/538517943.db2.gz XVTBDVTVHHOGHL-VIFPVBQESA-N 2 2 226.682 1.793 10 0 BDAELP CSc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)cc1 ZINC000675079298 538518195 /nfs/dbraw/zinc/51/81/95/538518195.db2.gz XMSJJVCUMQNPFU-NSHDSACASA-N 2 2 220.341 1.722 10 0 BDAELP C[NH+]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000093678024 538599836 /nfs/dbraw/zinc/59/98/36/538599836.db2.gz ZJVVRGSFPXIAPB-AGUYFDCRSA-N 2 2 237.391 1.155 10 0 BDAELP CC(C)[NH+](C(C)C)[C@H]1CC[NH2+]C[C@H]1F ZINC000685948680 538890805 /nfs/dbraw/zinc/89/08/05/538890805.db2.gz TVDTXPOWZOBRGI-MNOVXSKESA-N 2 2 202.317 1.805 10 0 BDAELP CC[C@H]1CC[C@H](CC[NH+]2CCOCC2)[N@H+](C)C1 ZINC000584607092 358267325 /nfs/dbraw/zinc/26/73/25/358267325.db2.gz BAJZBVGOCVSYOU-UONOGXRCSA-N 2 2 240.391 1.829 10 0 BDAELP CC[C@H]1CC[C@H](CC[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000584607092 358267327 /nfs/dbraw/zinc/26/73/27/358267327.db2.gz BAJZBVGOCVSYOU-UONOGXRCSA-N 2 2 240.391 1.829 10 0 BDAELP OCCC[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000052762384 358792052 /nfs/dbraw/zinc/79/20/52/358792052.db2.gz NBVAQDGSPYFZRZ-ZDUSSCGKSA-N 2 2 237.347 1.510 10 0 BDAELP OCCC[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000052762384 358792055 /nfs/dbraw/zinc/79/20/55/358792055.db2.gz NBVAQDGSPYFZRZ-ZDUSSCGKSA-N 2 2 237.347 1.510 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049453 491143398 /nfs/dbraw/zinc/14/33/98/491143398.db2.gz QAHXJOFZPZOGKM-PWSUYJOCSA-N 2 2 207.321 1.445 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000309049453 491143399 /nfs/dbraw/zinc/14/33/99/491143399.db2.gz QAHXJOFZPZOGKM-PWSUYJOCSA-N 2 2 207.321 1.445 10 0 BDAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000094449761 360308144 /nfs/dbraw/zinc/30/81/44/360308144.db2.gz MQZCTMQXPIZJRB-QWHCGFSZSA-N 2 2 248.374 1.479 10 0 BDAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000094449761 360308146 /nfs/dbraw/zinc/30/81/46/360308146.db2.gz MQZCTMQXPIZJRB-QWHCGFSZSA-N 2 2 248.374 1.479 10 0 BDAELP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CSCC[NH2+]1 ZINC000306523935 360361812 /nfs/dbraw/zinc/36/18/12/360361812.db2.gz WCQKAFYYIOSZQX-UWVGGRQHSA-N 2 2 214.378 1.470 10 0 BDAELP CC(C)([NH3+])C[N@@H+]1CCS[C@H]2CCC[C@@H]21 ZINC000306554416 360427788 /nfs/dbraw/zinc/42/77/88/360427788.db2.gz BTNOIGCKTSZLBZ-UWVGGRQHSA-N 2 2 214.378 1.694 10 0 BDAELP CC(C)([NH3+])C[N@H+]1CCS[C@H]2CCC[C@@H]21 ZINC000306554416 360427789 /nfs/dbraw/zinc/42/77/89/360427789.db2.gz BTNOIGCKTSZLBZ-UWVGGRQHSA-N 2 2 214.378 1.694 10 0 BDAELP C[C@H]1CCC[N@H+](C2CSC2)[C@@H]1C[NH3+] ZINC000306577597 360466693 /nfs/dbraw/zinc/46/66/93/360466693.db2.gz LKWGWQOOUGDPCS-WCBMZHEXSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@H]1CCC[N@@H+](C2CSC2)[C@@H]1C[NH3+] ZINC000306577597 360466698 /nfs/dbraw/zinc/46/66/98/360466698.db2.gz LKWGWQOOUGDPCS-WCBMZHEXSA-N 2 2 200.351 1.161 10 0 BDAELP [NH3+][C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccs1 ZINC000069800130 360558387 /nfs/dbraw/zinc/55/83/87/360558387.db2.gz HUUZMJDCQIUYEV-KOLCDFICSA-N 2 2 208.330 1.985 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccs1 ZINC000069800130 360558391 /nfs/dbraw/zinc/55/83/91/360558391.db2.gz HUUZMJDCQIUYEV-KOLCDFICSA-N 2 2 208.330 1.985 10 0 BDAELP CC(C)[C@](C)(C[NH3+])[N@@H+]1CCOC[C@@H]1C ZINC000041053643 361209522 /nfs/dbraw/zinc/20/95/22/361209522.db2.gz UJUAHMFWZKGHCK-QWRGUYRKSA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@](C)(C[NH3+])[N@H+]1CCOC[C@@H]1C ZINC000041053643 361209524 /nfs/dbraw/zinc/20/95/24/361209524.db2.gz UJUAHMFWZKGHCK-QWRGUYRKSA-N 2 2 200.326 1.081 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630359663 364079706 /nfs/dbraw/zinc/07/97/06/364079706.db2.gz DHYBNUQUHXBHBD-QWHCGFSZSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccccn2)[C@@](C)(C[NH3+])C1 ZINC000630359663 364079710 /nfs/dbraw/zinc/07/97/10/364079710.db2.gz DHYBNUQUHXBHBD-QWHCGFSZSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccncc2C)[C@](C)(C[NH3+])C1 ZINC000630366455 364086758 /nfs/dbraw/zinc/08/67/58/364086758.db2.gz KQTIYVLMJIEPCF-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccncc2C)[C@](C)(C[NH3+])C1 ZINC000630366455 364086759 /nfs/dbraw/zinc/08/67/59/364086759.db2.gz KQTIYVLMJIEPCF-KBPBESRZSA-N 2 2 249.358 1.328 10 0 BDAELP [NH3+]CC1(CN2CCn3cc[nH+]c3C2)CCCCC1 ZINC000062322220 181358919 /nfs/dbraw/zinc/35/89/19/181358919.db2.gz CGIQPNDJUTVPQS-UHFFFAOYSA-N 2 2 248.374 1.608 10 0 BDAELP C[C@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@H]1C[NH3+] ZINC000630575025 364273654 /nfs/dbraw/zinc/27/36/54/364273654.db2.gz WTIYIBPHOVUBCA-VHSXEESVSA-N 2 2 230.315 1.594 10 0 BDAELP Cc1cc(N[C@@H]2CC[C@H](C)[NH2+]C2)nc[nH+]1 ZINC000630533803 364225598 /nfs/dbraw/zinc/22/55/98/364225598.db2.gz RMQADUKMCFGPEL-WCBMZHEXSA-N 2 2 206.293 1.337 10 0 BDAELP [NH3+]CCCOCCNc1ccc2ccccc2[nH+]1 ZINC000630533874 364227054 /nfs/dbraw/zinc/22/70/54/364227054.db2.gz GPIIZQORVVFWOO-UHFFFAOYSA-N 2 2 245.326 1.434 10 0 BDAELP Cc1nc(N[C@@H]2CC[C@H](C)[NH2+]C2)cc[nH+]1 ZINC000630534303 364227419 /nfs/dbraw/zinc/22/74/19/364227419.db2.gz VRUGGZHGXJAOEG-WCBMZHEXSA-N 2 2 206.293 1.337 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccc(Cl)cn2)C[NH2+]C1 ZINC000675078508 541390527 /nfs/dbraw/zinc/39/05/27/541390527.db2.gz QFMYXYQKZZQHKS-SNVBAGLBSA-N 2 2 223.707 1.134 10 0 BDAELP [NH3+]CCCC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000037013518 181373719 /nfs/dbraw/zinc/37/37/19/181373719.db2.gz QYVQNMZTTWWZJP-UHFFFAOYSA-N 2 2 244.298 1.550 10 0 BDAELP [NH3+]CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000033605101 181382554 /nfs/dbraw/zinc/38/25/54/181382554.db2.gz KXYFFNDOPAVXHZ-UHFFFAOYSA-N 3 2 247.386 1.589 10 0 BDAELP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000384019326 367668129 /nfs/dbraw/zinc/66/81/29/367668129.db2.gz RGTFAFJYDWGFFC-RKDXNWHRSA-N 2 2 224.308 1.149 10 0 BDAELP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1noc(C[NH3+])n1 ZINC000384019326 367668132 /nfs/dbraw/zinc/66/81/32/367668132.db2.gz RGTFAFJYDWGFFC-RKDXNWHRSA-N 2 2 224.308 1.149 10 0 BDAELP CC(C)n1ncnc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000386273925 367943283 /nfs/dbraw/zinc/94/32/83/367943283.db2.gz XVYGIYSMFXSZSS-SDDRHHMPSA-N 2 2 249.362 1.028 10 0 BDAELP CC(C)n1ncnc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000386273925 367943285 /nfs/dbraw/zinc/94/32/85/367943285.db2.gz XVYGIYSMFXSZSS-SDDRHHMPSA-N 2 2 249.362 1.028 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000253077065 368471440 /nfs/dbraw/zinc/47/14/40/368471440.db2.gz RUHKFWIASUNFBN-PRJMDXOYSA-N 2 2 201.339 1.137 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000253077065 368471446 /nfs/dbraw/zinc/47/14/46/368471446.db2.gz RUHKFWIASUNFBN-PRJMDXOYSA-N 2 2 201.339 1.137 10 0 BDAELP CCCc1noc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841961 369358556 /nfs/dbraw/zinc/35/85/56/369358556.db2.gz SJGHTHQZAIVVAC-VHSXEESVSA-N 2 2 238.335 1.049 10 0 BDAELP CCCc1noc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631841961 369358566 /nfs/dbraw/zinc/35/85/66/369358566.db2.gz SJGHTHQZAIVVAC-VHSXEESVSA-N 2 2 238.335 1.049 10 0 BDAELP C[C@H]1C[NH2+]CC[N@H+](C[Si](C)(C)C)C1 ZINC000401807134 371821217 /nfs/dbraw/zinc/82/12/17/371821217.db2.gz QZACIXDIFIGWCJ-JTQLQIEISA-N 2 2 200.402 1.405 10 0 BDAELP C[C@H]1C[NH2+]CC[N@@H+](C[Si](C)(C)C)C1 ZINC000401807134 371821222 /nfs/dbraw/zinc/82/12/22/371821222.db2.gz QZACIXDIFIGWCJ-JTQLQIEISA-N 2 2 200.402 1.405 10 0 BDAELP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CCCC[NH2+]2)S1 ZINC000306801553 372069158 /nfs/dbraw/zinc/06/91/58/372069158.db2.gz RFIFAQOAFVZLRO-KXUCPTDWSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@@H]1C[N@H+](Cc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000631837527 372627426 /nfs/dbraw/zinc/62/74/26/372627426.db2.gz CLFWAVYALUKCOT-ZJUUUORDSA-N 2 2 240.297 1.991 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000631837527 372627430 /nfs/dbraw/zinc/62/74/30/372627430.db2.gz CLFWAVYALUKCOT-ZJUUUORDSA-N 2 2 240.297 1.991 10 0 BDAELP C[C@@H]1C[N@H+](Cc2cncc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837968 372629112 /nfs/dbraw/zinc/62/91/12/372629112.db2.gz YKBATVUSDCACRG-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@@H]1C[NH3+] ZINC000631837968 372629118 /nfs/dbraw/zinc/62/91/18/372629118.db2.gz YKBATVUSDCACRG-KOLCDFICSA-N 2 2 239.750 1.762 10 0 BDAELP C[NH+](C)[C@H](C[NH3+])C1=Cc2ccccc2OC1 ZINC000041166612 374116938 /nfs/dbraw/zinc/11/69/38/374116938.db2.gz RVVMXOGQQRZUBV-GFCCVEGCSA-N 2 2 218.300 1.351 10 0 BDAELP OC[C@@H](c1ccccc1)[N@@H+]1CCC[NH2+]CC1 ZINC000038117348 183114018 /nfs/dbraw/zinc/11/40/18/183114018.db2.gz FENBQKBBJMQWAQ-ZDUSSCGKSA-N 2 2 220.316 1.015 10 0 BDAELP OC[C@@H](c1ccccc1)[N@H+]1CCC[NH2+]CC1 ZINC000038117348 183114021 /nfs/dbraw/zinc/11/40/21/183114021.db2.gz FENBQKBBJMQWAQ-ZDUSSCGKSA-N 2 2 220.316 1.015 10 0 BDAELP CCC[NH+]1CCC(Nc2ccc(N)[nH+]c2)CC1 ZINC000049554939 169189705 /nfs/dbraw/zinc/18/97/05/169189705.db2.gz MFVQCSZQTBGOGZ-UHFFFAOYSA-N 2 2 234.347 1.950 10 0 BDAELP CCC[N@@H+]1CCc2nc(C[NH3+])sc2C1 ZINC000019817746 169209286 /nfs/dbraw/zinc/20/92/86/169209286.db2.gz RQCTUDQZAXXBBD-UHFFFAOYSA-N 2 2 211.334 1.370 10 0 BDAELP CCC[N@H+]1CCc2nc(C[NH3+])sc2C1 ZINC000019817746 169209288 /nfs/dbraw/zinc/20/92/88/169209288.db2.gz RQCTUDQZAXXBBD-UHFFFAOYSA-N 2 2 211.334 1.370 10 0 BDAELP CCC[NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000040398000 169263155 /nfs/dbraw/zinc/26/31/55/169263155.db2.gz ZJIDNSUMNZHBCH-ZDUSSCGKSA-N 2 2 204.317 1.701 10 0 BDAELP CCC[C@@H](C)[C@@H](C[NH3+])N1CCn2cc[nH+]c2C1 ZINC000062248907 169372623 /nfs/dbraw/zinc/37/26/23/169372623.db2.gz BWWHEUKTVDHJLO-VXGBXAGGSA-N 2 2 236.363 1.462 10 0 BDAELP F[C@H]1C[NH2+]CC[C@@H]1c1[nH+]ccc2[nH]ccc21 ZINC000089220694 383949562 /nfs/dbraw/zinc/94/95/62/383949562.db2.gz GPYLMZSBWKILCQ-WPRPVWTQSA-N 2 2 219.263 1.978 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000090234917 384039572 /nfs/dbraw/zinc/03/95/72/384039572.db2.gz XQENYWWCKCSWAV-LPWJVIDDSA-N 2 2 226.364 1.482 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000090234917 384039576 /nfs/dbraw/zinc/03/95/76/384039576.db2.gz XQENYWWCKCSWAV-LPWJVIDDSA-N 2 2 226.364 1.482 10 0 BDAELP C[N@H+]1CCSC[C@@H]1c1ncc(C[NH3+])s1 ZINC000234332039 384058721 /nfs/dbraw/zinc/05/87/21/384058721.db2.gz KATCWZODLJJWET-MRVPVSSYSA-N 2 2 229.374 1.322 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305266 384204464 /nfs/dbraw/zinc/20/44/64/384204464.db2.gz XNLUAOBZKGUMSD-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@@H]1COCC[C@@H]1[NH3+] ZINC000036305266 384204471 /nfs/dbraw/zinc/20/44/71/384204471.db2.gz XNLUAOBZKGUMSD-QWHCGFSZSA-N 2 2 220.316 1.235 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305269 384204725 /nfs/dbraw/zinc/20/47/25/384204725.db2.gz XNLUAOBZKGUMSD-STQMWFEESA-N 2 2 220.316 1.235 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H]1COCC[C@@H]1[NH3+] ZINC000036305269 384204726 /nfs/dbraw/zinc/20/47/26/384204726.db2.gz XNLUAOBZKGUMSD-STQMWFEESA-N 2 2 220.316 1.235 10 0 BDAELP C[N@@H+](Cc1cnc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000095071297 384340887 /nfs/dbraw/zinc/34/08/87/384340887.db2.gz AACOUCAXXMHSID-QMMMGPOBSA-N 2 2 245.779 1.838 10 0 BDAELP C[N@H+](Cc1cnc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000095071297 384340893 /nfs/dbraw/zinc/34/08/93/384340893.db2.gz AACOUCAXXMHSID-QMMMGPOBSA-N 2 2 245.779 1.838 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072558 384343290 /nfs/dbraw/zinc/34/32/90/384343290.db2.gz INNGQLWKRJFHOS-VIFPVBQESA-N 2 2 240.738 1.301 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nn2)C1 ZINC000095072558 384343293 /nfs/dbraw/zinc/34/32/93/384343293.db2.gz INNGQLWKRJFHOS-VIFPVBQESA-N 2 2 240.738 1.301 10 0 BDAELP O=C(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000095072795 384345220 /nfs/dbraw/zinc/34/52/20/384345220.db2.gz RRRCNBPKPBIUHF-SNVBAGLBSA-N 2 2 238.356 1.520 10 0 BDAELP Cc1cc(NC(=O)[C@H]2CCC[NH2+][C@H]2C)cc[nH+]1 ZINC000335598867 384364685 /nfs/dbraw/zinc/36/46/85/384364685.db2.gz YLFJGZAENGUQNJ-JQWIXIFHSA-N 2 2 233.315 1.139 10 0 BDAELP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cnccn1 ZINC000095068374 384330699 /nfs/dbraw/zinc/33/06/99/384330699.db2.gz OPGHEEIQYQIDLS-QWRGUYRKSA-N 2 2 220.320 1.127 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085630352 384550978 /nfs/dbraw/zinc/55/09/78/384550978.db2.gz ZDHITQDWNVBIEG-SRVKXCTJSA-N 2 2 240.391 1.730 10 0 BDAELP C[C@H](C[NH3+])N(C)c1[nH+]c2ccccc2n1C ZINC000212220255 384562208 /nfs/dbraw/zinc/56/22/08/384562208.db2.gz BBBRINZIHIIGMZ-SECBINFHSA-N 2 2 218.304 1.357 10 0 BDAELP O=C1NC=[NH+][C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000101422359 384673556 /nfs/dbraw/zinc/67/35/56/384673556.db2.gz UCMFKIXRJBDWLN-OLZOCXBDSA-N 2 2 243.310 1.035 10 0 BDAELP O=C1NC=[NH+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000101422359 384673563 /nfs/dbraw/zinc/67/35/63/384673563.db2.gz UCMFKIXRJBDWLN-OLZOCXBDSA-N 2 2 243.310 1.035 10 0 BDAELP CC[C@H]([NH3+])C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000141436466 384675046 /nfs/dbraw/zinc/67/50/46/384675046.db2.gz KEWAVIHAPYVGBK-NWDGAFQWSA-N 2 2 236.315 1.185 10 0 BDAELP C[C@@H](C[NH3+])Nc1[nH+]c2ccccc2n1C ZINC000070609147 384763184 /nfs/dbraw/zinc/76/31/84/384763184.db2.gz FQWBMVNECFNVHH-QMMMGPOBSA-N 2 2 204.277 1.332 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000072201280 384814148 /nfs/dbraw/zinc/81/41/48/384814148.db2.gz KPYUVYCUMYLLIX-QMMMGPOBSA-N 2 2 233.084 1.547 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1F ZINC000072201032 384815042 /nfs/dbraw/zinc/81/50/42/384815042.db2.gz VZUUWURFTNDEIX-QMMMGPOBSA-N 2 2 222.185 1.803 10 0 BDAELP C[N@H+](Cc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000043501394 384861750 /nfs/dbraw/zinc/86/17/50/384861750.db2.gz LHDZYFLTYNGVSP-JTQLQIEISA-N 2 2 210.346 1.932 10 0 BDAELP C[N@@H+](Cc1cccs1)[C@H]1CCC[NH2+]C1 ZINC000043501394 384861756 /nfs/dbraw/zinc/86/17/56/384861756.db2.gz LHDZYFLTYNGVSP-JTQLQIEISA-N 2 2 210.346 1.932 10 0 BDAELP C([N@@H+]1CCO[C@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992582 384896697 /nfs/dbraw/zinc/89/66/97/384896697.db2.gz USLSCUCRKJVHNE-DKNRTOFZSA-N 2 2 236.359 1.382 10 0 BDAELP C([N@H+]1CCO[C@H]2CCCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634992582 384896704 /nfs/dbraw/zinc/89/67/04/384896704.db2.gz USLSCUCRKJVHNE-DKNRTOFZSA-N 2 2 236.359 1.382 10 0 BDAELP C[C@H]([NH3+])CCNc1cc(NC2CC2)nc[nH+]1 ZINC000258693556 384932155 /nfs/dbraw/zinc/93/21/55/384932155.db2.gz QLSATDXDTWXAMF-QMMMGPOBSA-N 2 2 221.308 1.200 10 0 BDAELP C[C@H]([NH3+])CCNc1cc(NC2CC2)[nH+]cn1 ZINC000258693556 384932159 /nfs/dbraw/zinc/93/21/59/384932159.db2.gz QLSATDXDTWXAMF-QMMMGPOBSA-N 2 2 221.308 1.200 10 0 BDAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CSC1(C)C ZINC000393857170 385892903 /nfs/dbraw/zinc/89/29/03/385892903.db2.gz VRGMOVKIZZLYNG-OUAUKWLOSA-N 2 2 244.404 1.237 10 0 BDAELP C[C@H]1C[NH2+][C@@]2(CCC[NH2+]CC2)SC1 ZINC000575576847 386195263 /nfs/dbraw/zinc/19/52/63/386195263.db2.gz VYPXHASEMWSMNY-UWVGGRQHSA-N 2 2 200.351 1.429 10 0 BDAELP COCCn1c(C)[nH+]c2cc(C[NH3+])ccc21 ZINC000062214017 386500768 /nfs/dbraw/zinc/50/07/68/386500768.db2.gz RWLGUXNZCVTSAV-UHFFFAOYSA-N 2 2 219.288 1.450 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1ccncc1 ZINC000396590362 386782001 /nfs/dbraw/zinc/78/20/01/386782001.db2.gz STTRIUWPSRRYKH-GMXVVIOVSA-N 2 2 219.332 1.873 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2C ZINC000396608675 386947407 /nfs/dbraw/zinc/94/74/07/386947407.db2.gz DALTUSMVXKMNLR-WCFLWFBJSA-N 2 2 248.374 1.528 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCc2c1cnn2C ZINC000396608671 386947673 /nfs/dbraw/zinc/94/76/73/386947673.db2.gz DALTUSMVXKMNLR-DRZSPHRISA-N 2 2 248.374 1.528 10 0 BDAELP CC[N@H+](C)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302765625 386937409 /nfs/dbraw/zinc/93/74/09/386937409.db2.gz LKFVAVDGWRSSQO-GFCCVEGCSA-N 2 2 246.358 1.884 10 0 BDAELP CC[N@@H+](C)[C@@H]1CCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000302765625 386937410 /nfs/dbraw/zinc/93/74/10/386937410.db2.gz LKFVAVDGWRSSQO-GFCCVEGCSA-N 2 2 246.358 1.884 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000334983331 387070079 /nfs/dbraw/zinc/07/00/79/387070079.db2.gz HTABOPGIVABDQJ-RYUDHWBXSA-N 2 2 236.363 1.646 10 0 BDAELP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@H]1O ZINC000352657852 387422401 /nfs/dbraw/zinc/42/24/01/387422401.db2.gz HNFPYEBOZGDWPF-NWDGAFQWSA-N 2 2 223.320 1.118 10 0 BDAELP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[C@H]1O ZINC000352657852 387422403 /nfs/dbraw/zinc/42/24/03/387422403.db2.gz HNFPYEBOZGDWPF-NWDGAFQWSA-N 2 2 223.320 1.118 10 0 BDAELP Cc1cnn(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000124105439 387604474 /nfs/dbraw/zinc/60/44/74/387604474.db2.gz CRHAVRLUMUVYKF-QWHCGFSZSA-N 2 2 248.374 1.406 10 0 BDAELP Cc1cnn(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000124105439 387604481 /nfs/dbraw/zinc/60/44/81/387604481.db2.gz CRHAVRLUMUVYKF-QWHCGFSZSA-N 2 2 248.374 1.406 10 0 BDAELP Cc1cn(-c2ccc(C[NH3+])cc2F)c[nH+]1 ZINC000230502022 388369643 /nfs/dbraw/zinc/36/96/43/388369643.db2.gz UHPRGLNDNQMUBR-UHFFFAOYSA-N 2 2 205.236 1.779 10 0 BDAELP C[C@@H](Nc1[nH+]c2ccccc2n1C)[C@H](C)[NH3+] ZINC000335898810 388455425 /nfs/dbraw/zinc/45/54/25/388455425.db2.gz XAKSVTPTAMCTBI-DTWKUNHWSA-N 2 2 218.304 1.143 10 0 BDAELP C[C@H]([NH3+])[C@H](C)Nc1[nH+]c2ccccc2n1C ZINC000335898812 388455727 /nfs/dbraw/zinc/45/57/27/388455727.db2.gz XAKSVTPTAMCTBI-IUCAKERBSA-N 2 2 218.304 1.143 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000249097554 388708447 /nfs/dbraw/zinc/70/84/47/388708447.db2.gz MNSOPDOFODBEKM-MJBXVCDLSA-N 2 2 242.407 1.977 10 0 BDAELP C[NH+]1CCN(c2ccc3c([nH+]2)CCCC3)CC1 ZINC000013778647 132322328 /nfs/dbraw/zinc/32/23/28/132322328.db2.gz AOMUMBJPJYKPFP-UHFFFAOYSA-N 2 2 231.343 1.712 10 0 BDAELP CC[C@H](C[NH3+])[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000019274386 132324266 /nfs/dbraw/zinc/32/42/66/132324266.db2.gz AFBRKZKQMPFHDY-CQSZACIVSA-N 2 2 247.386 1.854 10 0 BDAELP C[C@@H]1C[NH2+]CCN1c1ccc([NH+](C)C)cc1 ZINC000041233454 132349726 /nfs/dbraw/zinc/34/97/26/132349726.db2.gz SAUUQIVPVXEAPX-LLVKDONJSA-N 2 2 219.332 1.551 10 0 BDAELP COCC[NH2+]C[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000053703292 132363204 /nfs/dbraw/zinc/36/32/04/132363204.db2.gz JRIDGUQIGBHDQB-CYBMUJFWSA-N 2 2 249.358 1.534 10 0 BDAELP C[NH2+]C[C@H]1CCCCN1c1cc(C)[nH+]cn1 ZINC000053706810 132363426 /nfs/dbraw/zinc/36/34/26/132363426.db2.gz XCNNIAGDOZHYSO-LLVKDONJSA-N 2 2 220.320 1.363 10 0 BDAELP Cc1nc(N2CCCC[C@@H]2C[NH2+]C2CC2)cc[nH+]1 ZINC000054937621 132365121 /nfs/dbraw/zinc/36/51/21/132365121.db2.gz DFSWRAORNMRRIO-CYBMUJFWSA-N 2 2 246.358 1.896 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCOC)C1 ZINC000249819789 135045934 /nfs/dbraw/zinc/04/59/34/135045934.db2.gz NAWOLJLYZKUKOG-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCOC)C1 ZINC000249819789 135045937 /nfs/dbraw/zinc/04/59/37/135045937.db2.gz NAWOLJLYZKUKOG-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CC(C)[NH2+]CC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252918122 135116566 /nfs/dbraw/zinc/11/65/66/135116566.db2.gz CGHGGEVMPGLRSK-VXGBXAGGSA-N 2 2 214.353 1.220 10 0 BDAELP CC(C)[NH2+]CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252918122 135116568 /nfs/dbraw/zinc/11/65/68/135116568.db2.gz CGHGGEVMPGLRSK-VXGBXAGGSA-N 2 2 214.353 1.220 10 0 BDAELP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cn1 ZINC000261530851 135158677 /nfs/dbraw/zinc/15/86/77/135158677.db2.gz DHNZQOJHJGGTOA-CMPLNLGQSA-N 2 2 205.305 1.312 10 0 BDAELP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cn1 ZINC000261530851 135158679 /nfs/dbraw/zinc/15/86/79/135158679.db2.gz DHNZQOJHJGGTOA-CMPLNLGQSA-N 2 2 205.305 1.312 10 0 BDAELP Cc1cnn(CC[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000261556785 135196717 /nfs/dbraw/zinc/19/67/17/135196717.db2.gz RBRGEDCHGVXBNS-DGCLKSJQSA-N 2 2 236.363 1.251 10 0 BDAELP Cc1cnn(CC[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000261556785 135196719 /nfs/dbraw/zinc/19/67/19/135196719.db2.gz RBRGEDCHGVXBNS-DGCLKSJQSA-N 2 2 236.363 1.251 10 0 BDAELP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)on1 ZINC000261561484 135202956 /nfs/dbraw/zinc/20/29/56/135202956.db2.gz AOZDOMRQVSTYEV-NSHDSACASA-N 2 2 223.320 1.542 10 0 BDAELP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)on1 ZINC000261561484 135202957 /nfs/dbraw/zinc/20/29/57/135202957.db2.gz AOZDOMRQVSTYEV-NSHDSACASA-N 2 2 223.320 1.542 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261546229 135238338 /nfs/dbraw/zinc/23/83/38/135238338.db2.gz GRJAONUVJPJRNO-RYUDHWBXSA-N 2 2 235.306 1.262 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261546229 135238340 /nfs/dbraw/zinc/23/83/40/135238340.db2.gz GRJAONUVJPJRNO-RYUDHWBXSA-N 2 2 235.306 1.262 10 0 BDAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccsc1Cl ZINC000261547033 135239243 /nfs/dbraw/zinc/23/92/43/135239243.db2.gz LPWNTTKNAMTFCQ-RKDXNWHRSA-N 2 2 246.763 1.071 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000262964296 135324937 /nfs/dbraw/zinc/32/49/37/135324937.db2.gz LAKYMPCIIAQXNP-KBPBESRZSA-N 2 2 234.343 1.533 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000262964296 135324938 /nfs/dbraw/zinc/32/49/38/135324938.db2.gz LAKYMPCIIAQXNP-KBPBESRZSA-N 2 2 234.343 1.533 10 0 BDAELP CCOCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151107237 397736039 /nfs/dbraw/zinc/73/60/39/397736039.db2.gz YXVLPYPMXVPXQY-CYBMUJFWSA-N 2 2 249.358 1.852 10 0 BDAELP CCOCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151107237 397736043 /nfs/dbraw/zinc/73/60/43/397736043.db2.gz YXVLPYPMXVPXQY-CYBMUJFWSA-N 2 2 249.358 1.852 10 0 BDAELP CC(C)[NH2+]CCCNc1[nH+]cnc2c1cnn2C ZINC000643003154 397830527 /nfs/dbraw/zinc/83/05/27/397830527.db2.gz XKWRQVCDOZSXKW-UHFFFAOYSA-N 2 2 248.334 1.163 10 0 BDAELP C[C@H](C[NH3+])N(C)c1cc[nH+]c(C2CC2)n1 ZINC000107201360 322862032 /nfs/dbraw/zinc/86/20/32/322862032.db2.gz HMHKJANDVCUBAW-MRVPVSSYSA-N 2 2 206.293 1.137 10 0 BDAELP CC(C)[NH2+]CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000042388739 167105017 /nfs/dbraw/zinc/10/50/17/167105017.db2.gz ZWBYEFCSTJPMQN-UHFFFAOYSA-N 3 2 227.396 1.258 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000309044083 410208711 /nfs/dbraw/zinc/20/87/11/410208711.db2.gz NDXRXRWWLFDCAT-KSSYENDESA-N 2 2 210.365 1.961 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)C1 ZINC000309044083 410208716 /nfs/dbraw/zinc/20/87/16/410208716.db2.gz NDXRXRWWLFDCAT-KSSYENDESA-N 2 2 210.365 1.961 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCC[C@@H](CO)C1 ZINC000309006052 167105395 /nfs/dbraw/zinc/10/53/95/167105395.db2.gz PVHISKPYFJUQBZ-GFCCVEGCSA-N 2 2 214.353 1.079 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCC[C@@H](CO)C1 ZINC000309006052 167105397 /nfs/dbraw/zinc/10/53/97/167105397.db2.gz PVHISKPYFJUQBZ-GFCCVEGCSA-N 2 2 214.353 1.079 10 0 BDAELP CC(C)[NH2+]C[C@@H](C)[N@@H+]1CCCOCC1 ZINC000061935925 167110536 /nfs/dbraw/zinc/11/05/36/167110536.db2.gz SEGFTQNLFFKOCX-LLVKDONJSA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)[NH2+]C[C@@H](C)[N@H+]1CCCOCC1 ZINC000061935925 167110539 /nfs/dbraw/zinc/11/05/39/167110539.db2.gz SEGFTQNLFFKOCX-LLVKDONJSA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000053034442 167112927 /nfs/dbraw/zinc/11/29/27/167112927.db2.gz PLSDCXCCKAXUHG-LBPRGKRZSA-N 2 2 236.363 1.240 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000053034442 167112931 /nfs/dbraw/zinc/11/29/31/167112931.db2.gz PLSDCXCCKAXUHG-LBPRGKRZSA-N 2 2 236.363 1.240 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658033988 411209401 /nfs/dbraw/zinc/20/94/01/411209401.db2.gz FMJQUHCPUTZBFS-VXGBXAGGSA-N 2 2 224.348 1.382 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658033988 411209404 /nfs/dbraw/zinc/20/94/04/411209404.db2.gz FMJQUHCPUTZBFS-VXGBXAGGSA-N 2 2 224.348 1.382 10 0 BDAELP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2CO)n1C ZINC000657369901 411483556 /nfs/dbraw/zinc/48/35/56/411483556.db2.gz IPCYSOTURYEMKN-WCQYABFASA-N 2 2 237.347 1.369 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000328286474 170012050 /nfs/dbraw/zinc/01/20/50/170012050.db2.gz SZSOZZLZYSUFOQ-GHMZBOCLSA-N 2 2 214.378 1.423 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000328286474 170012048 /nfs/dbraw/zinc/01/20/48/170012048.db2.gz SZSOZZLZYSUFOQ-GHMZBOCLSA-N 2 2 214.378 1.423 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000328188896 170022307 /nfs/dbraw/zinc/02/23/07/170022307.db2.gz OXCYQFBMKKSDKF-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000328188896 170022309 /nfs/dbraw/zinc/02/23/09/170022309.db2.gz OXCYQFBMKKSDKF-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CC[N@@H+]1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294084 170025223 /nfs/dbraw/zinc/02/52/23/170025223.db2.gz YPPPSKRVASXTQP-UHFFFAOYSA-N 2 2 211.334 1.241 10 0 BDAELP CC[N@H+]1CCc2nc(C[NH2+]C)sc2C1 ZINC000053294084 170025224 /nfs/dbraw/zinc/02/52/24/170025224.db2.gz YPPPSKRVASXTQP-UHFFFAOYSA-N 2 2 211.334 1.241 10 0 BDAELP CC[N@@H+]1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059186 170025863 /nfs/dbraw/zinc/02/58/63/170025863.db2.gz CWROOVJLTOVRHP-SSDOTTSWSA-N 2 2 211.334 1.541 10 0 BDAELP CC[N@H+]1CCc2nc([C@@H](C)[NH3+])sc2C1 ZINC000041059186 170025864 /nfs/dbraw/zinc/02/58/64/170025864.db2.gz CWROOVJLTOVRHP-SSDOTTSWSA-N 2 2 211.334 1.541 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)COC)[C@@H](C)C1 ZINC000309049427 170035174 /nfs/dbraw/zinc/03/51/74/170035174.db2.gz PZPHDFKJRYWDSI-WOPDTQHZSA-N 2 2 214.353 1.199 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000309049425 170038277 /nfs/dbraw/zinc/03/82/77/170038277.db2.gz PZPHDFKJRYWDSI-SDDRHHMPSA-N 2 2 214.353 1.199 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000309049425 170038278 /nfs/dbraw/zinc/03/82/78/170038278.db2.gz PZPHDFKJRYWDSI-SDDRHHMPSA-N 2 2 214.353 1.199 10 0 BDAELP CC[NH2+]CCC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000061292634 170111764 /nfs/dbraw/zinc/11/17/64/170111764.db2.gz KFYWGMMAPIMLHP-UHFFFAOYSA-N 2 2 246.314 1.809 10 0 BDAELP CC[NH2+]C[C@H](O)C[N@H+](Cc1ccco1)C1CC1 ZINC000042692945 170121617 /nfs/dbraw/zinc/12/16/17/170121617.db2.gz GTDHFYNAQPAWLI-LBPRGKRZSA-N 2 2 238.331 1.214 10 0 BDAELP CC[NH2+]C[C@H](O)C[N@@H+](Cc1ccco1)C1CC1 ZINC000042692945 170121619 /nfs/dbraw/zinc/12/16/19/170121619.db2.gz GTDHFYNAQPAWLI-LBPRGKRZSA-N 2 2 238.331 1.214 10 0 BDAELP CC[NH2+]Cc1c(C)cc(C)nc1-n1cc[nH+]c1 ZINC000051490091 170124322 /nfs/dbraw/zinc/12/43/22/170124322.db2.gz ZPEBXQDKHPLTJZ-UHFFFAOYSA-N 2 2 230.315 1.994 10 0 BDAELP CC[NH2+]Cc1sc(C[NH+](C)C)nc1CC ZINC000082425491 170132512 /nfs/dbraw/zinc/13/25/12/170132512.db2.gz BOMRMXQONGQTSA-UHFFFAOYSA-N 2 2 227.377 1.877 10 0 BDAELP CC[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000061917903 170158219 /nfs/dbraw/zinc/15/82/19/170158219.db2.gz PXUDGYZWDVEPJE-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@H](C)[C@@H](C)[N@H+]1CCCOCC1 ZINC000061917903 170158220 /nfs/dbraw/zinc/15/82/20/170158220.db2.gz PXUDGYZWDVEPJE-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@H](C)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000062250460 170158293 /nfs/dbraw/zinc/15/82/93/170158293.db2.gz QPJMCYVOZGXOFE-MNOVXSKESA-N 2 2 222.336 1.085 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1CN1CCn2cc[nH+]c2C1 ZINC000062322312 170166374 /nfs/dbraw/zinc/16/63/74/170166374.db2.gz PXZLFBHJJARYDS-OLZOCXBDSA-N 2 2 248.374 1.477 10 0 BDAELP CC[NH2+][C@](C)(Cn1c[nH+]c(C)c1C)C(=O)OC ZINC000051928184 170170081 /nfs/dbraw/zinc/17/00/81/170170081.db2.gz WURZOZFOZGHKFY-GFCCVEGCSA-N 2 2 239.319 1.041 10 0 BDAELP CC[C@@H]1CC[N@H+](Cc2cccnc2)CC[NH2+]1 ZINC000049662125 171011028 /nfs/dbraw/zinc/01/10/28/171011028.db2.gz SJVVNLCIDUHANG-CYBMUJFWSA-N 2 2 219.332 1.656 10 0 BDAELP CC[C@@H]1CC[N@@H+](Cc2cccnc2)CC[NH2+]1 ZINC000049662125 171011032 /nfs/dbraw/zinc/01/10/32/171011032.db2.gz SJVVNLCIDUHANG-CYBMUJFWSA-N 2 2 219.332 1.656 10 0 BDAELP CC[C@@H]1C[N@H+](CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000042172071 171083419 /nfs/dbraw/zinc/08/34/19/171083419.db2.gz ZNCHJKNXIICGLU-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000042172071 171083421 /nfs/dbraw/zinc/08/34/21/171083421.db2.gz ZNCHJKNXIICGLU-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP COc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1C ZINC000665293781 412239042 /nfs/dbraw/zinc/23/90/42/412239042.db2.gz CLZYGRVUSPWDIO-GFCCVEGCSA-N 2 2 220.316 1.455 10 0 BDAELP Cn1c2ccccc2[nH+]c1NCC12CC(C1)C[NH2+]2 ZINC000663273754 412404437 /nfs/dbraw/zinc/40/44/37/412404437.db2.gz HLPNQGHVDFWRSD-UHFFFAOYSA-N 2 2 242.326 1.737 10 0 BDAELP CCn1c(C[NH2+]CC[NH3+])nc2ccccc21 ZINC000038046865 172144462 /nfs/dbraw/zinc/14/44/62/172144462.db2.gz QKIUWWKMQZQOSU-UHFFFAOYSA-N 2 2 218.304 1.105 10 0 BDAELP C[NH+]1CCC(c2c[nH]c3ccc(N)[nH+]c32)CC1 ZINC000013523619 173000399 /nfs/dbraw/zinc/00/03/99/173000399.db2.gz LAOHESRIMKGEEK-UHFFFAOYSA-N 2 2 230.315 1.954 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000049856308 173008049 /nfs/dbraw/zinc/00/80/49/173008049.db2.gz PXJDLSCONJYKLF-ZDUSSCGKSA-N 3 2 241.423 1.791 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000049856308 173008050 /nfs/dbraw/zinc/00/80/50/173008050.db2.gz PXJDLSCONJYKLF-ZDUSSCGKSA-N 3 2 241.423 1.791 10 0 BDAELP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1Cc1ccccc1 ZINC000082380097 173043629 /nfs/dbraw/zinc/04/36/29/173043629.db2.gz KWWJPJLZQQDOGT-STQMWFEESA-N 2 2 204.317 1.651 10 0 BDAELP C[N@H+]1CCC[C@H]([NH3+])[C@@H]1Cc1ccccc1 ZINC000082380097 173043630 /nfs/dbraw/zinc/04/36/30/173043630.db2.gz KWWJPJLZQQDOGT-STQMWFEESA-N 2 2 204.317 1.651 10 0 BDAELP C[N@@H+]1CCO[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000091673645 173101466 /nfs/dbraw/zinc/10/14/66/173101466.db2.gz VESWNLRVYGAMFN-JTQLQIEISA-N 2 2 246.314 1.305 10 0 BDAELP C[N@H+]1CCO[C@@H](CNc2[nH]c3ccccc3[nH+]2)C1 ZINC000091673645 173101470 /nfs/dbraw/zinc/10/14/70/173101470.db2.gz VESWNLRVYGAMFN-JTQLQIEISA-N 2 2 246.314 1.305 10 0 BDAELP C[N@@H+]1CC[C@H](C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000037647477 173146884 /nfs/dbraw/zinc/14/68/84/173146884.db2.gz IBEFTGJNJHNWES-GFCCVEGCSA-N 2 2 247.342 1.166 10 0 BDAELP C[N@H+]1CC[C@H](C[NH2+]CC(=O)Nc2ccccc2)C1 ZINC000037647477 173146887 /nfs/dbraw/zinc/14/68/87/173146887.db2.gz IBEFTGJNJHNWES-GFCCVEGCSA-N 2 2 247.342 1.166 10 0 BDAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cncs1)C2 ZINC000076684112 173206941 /nfs/dbraw/zinc/20/69/41/173206941.db2.gz LIQWRTIVOAQFNA-FGWVZKOKSA-N 2 2 237.372 1.858 10 0 BDAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cncs1)C2 ZINC000076684112 173206942 /nfs/dbraw/zinc/20/69/42/173206942.db2.gz LIQWRTIVOAQFNA-FGWVZKOKSA-N 2 2 237.372 1.858 10 0 BDAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cnn(C)c1 ZINC000054602640 173324271 /nfs/dbraw/zinc/32/42/71/173324271.db2.gz SXLOAZWCOOFOOR-AGUYFDCRSA-N 2 2 248.374 1.525 10 0 BDAELP C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cnn(C)c1 ZINC000054602640 173324272 /nfs/dbraw/zinc/32/42/72/173324272.db2.gz SXLOAZWCOOFOOR-AGUYFDCRSA-N 2 2 248.374 1.525 10 0 BDAELP C[NH2+]CC(C)(C)C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000051252601 173335756 /nfs/dbraw/zinc/33/57/56/173335756.db2.gz UCRLQBNUNFCMJK-RYUDHWBXSA-N 2 2 226.364 1.485 10 0 BDAELP C[NH2+]CC(C)(C)C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000051252601 173335758 /nfs/dbraw/zinc/33/57/58/173335758.db2.gz UCRLQBNUNFCMJK-RYUDHWBXSA-N 2 2 226.364 1.485 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[NH+]1CCSCC1 ZINC000052425430 173361892 /nfs/dbraw/zinc/36/18/92/173361892.db2.gz PLUNLJNWDPQCSM-JTQLQIEISA-N 2 2 202.367 1.279 10 0 BDAELP C[NH2+]C[C@@H]1C[N@@H+](C2CCCCC2)CCO1 ZINC000071518563 173371631 /nfs/dbraw/zinc/37/16/31/173371631.db2.gz LKGIWHJNINUQKZ-GFCCVEGCSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@@H]1C[N@H+](C2CCCCC2)CCO1 ZINC000071518563 173371633 /nfs/dbraw/zinc/37/16/33/173371633.db2.gz LKGIWHJNINUQKZ-GFCCVEGCSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@H](c1ccccc1)[N@H+](C)CCCOC ZINC000062036121 173378049 /nfs/dbraw/zinc/37/80/49/173378049.db2.gz GBNIHTJUOMYDCJ-CQSZACIVSA-N 2 2 236.359 1.915 10 0 BDAELP C[NH2+]C[C@H](c1ccccc1)[N@@H+](C)CCCOC ZINC000062036121 173378051 /nfs/dbraw/zinc/37/80/51/173378051.db2.gz GBNIHTJUOMYDCJ-CQSZACIVSA-N 2 2 236.359 1.915 10 0 BDAELP C[NH2+]Cc1cc(F)c(-n2cc[nH+]c2)c(F)c1 ZINC000062719517 173386547 /nfs/dbraw/zinc/38/65/47/173386547.db2.gz MITJNJVJZHAXJY-UHFFFAOYSA-N 2 2 223.226 1.870 10 0 BDAELP C[NH2+]Cc1coc(C[N@@H+]2CCN(C)[C@H](C)C2)c1 ZINC000104131291 173393498 /nfs/dbraw/zinc/39/34/98/173393498.db2.gz ZAGCGLNKESSDHJ-LLVKDONJSA-N 2 2 237.347 1.135 10 0 BDAELP C[NH2+]Cc1coc(C[N@H+]2CCN(C)[C@H](C)C2)c1 ZINC000104131291 173393499 /nfs/dbraw/zinc/39/34/99/173393499.db2.gz ZAGCGLNKESSDHJ-LLVKDONJSA-N 2 2 237.347 1.135 10 0 BDAELP C[NH2+]Cc1occc1C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000052476449 173399348 /nfs/dbraw/zinc/39/93/48/173399348.db2.gz RSPURWIFYNNBSW-MNOVXSKESA-N 2 2 238.331 1.608 10 0 BDAELP C[NH2+]Cc1occc1C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000052476449 173399349 /nfs/dbraw/zinc/39/93/49/173399349.db2.gz RSPURWIFYNNBSW-MNOVXSKESA-N 2 2 238.331 1.608 10 0 BDAELP C[NH2+][C@H](Cc1[nH]cc[nH+]1)Cc1ccc(OC)cc1 ZINC000035504309 173426093 /nfs/dbraw/zinc/42/60/93/173426093.db2.gz POMFNEREZXNNQE-LBPRGKRZSA-N 2 2 245.326 1.792 10 0 BDAELP COC1CC[NH+]([C@@H](C[NH3+])c2ccsc2)CC1 ZINC000037265845 174030610 /nfs/dbraw/zinc/03/06/10/174030610.db2.gz AJJUHDYNDZPDHF-LBPRGKRZSA-N 2 2 240.372 1.859 10 0 BDAELP COCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368002202 174385477 /nfs/dbraw/zinc/38/54/77/174385477.db2.gz USUQXVLKXAHIOX-NXEZZACHSA-N 2 2 223.320 1.282 10 0 BDAELP COCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368002202 174385480 /nfs/dbraw/zinc/38/54/80/174385480.db2.gz USUQXVLKXAHIOX-NXEZZACHSA-N 2 2 223.320 1.282 10 0 BDAELP COc1ccc(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050250220 175053590 /nfs/dbraw/zinc/05/35/90/175053590.db2.gz DWDBOIVCBOXNII-NSHDSACASA-N 2 2 248.326 1.159 10 0 BDAELP COc1ccc(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050250220 175053591 /nfs/dbraw/zinc/05/35/91/175053591.db2.gz DWDBOIVCBOXNII-NSHDSACASA-N 2 2 248.326 1.159 10 0 BDAELP COc1ccc(C[NH3+])cc1Cn1cc[nH+]c1 ZINC000016942088 175097746 /nfs/dbraw/zinc/09/77/46/175097746.db2.gz UTUZVXLGYWXUDH-UHFFFAOYSA-N 2 2 217.272 1.399 10 0 BDAELP COc1ccc(C[N@@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC000071544636 175100597 /nfs/dbraw/zinc/10/05/97/175100597.db2.gz XWQCBDNWFDJVSQ-GFCCVEGCSA-N 2 2 234.343 1.879 10 0 BDAELP COc1ccc(C[N@H+]2CC[NH2+]CC[C@H]2C)cc1 ZINC000071544636 175100598 /nfs/dbraw/zinc/10/05/98/175100598.db2.gz XWQCBDNWFDJVSQ-GFCCVEGCSA-N 2 2 234.343 1.879 10 0 BDAELP COc1ccc(C[C@@H]([NH3+])C[NH+](C)C)cc1F ZINC000071532905 175115900 /nfs/dbraw/zinc/11/59/00/175115900.db2.gz KHTHCHXVTJDMOY-SNVBAGLBSA-N 2 2 226.295 1.266 10 0 BDAELP COc1cccc(Cn2cc[nH+]c2C[C@H](C)[NH3+])c1 ZINC000062802805 175273851 /nfs/dbraw/zinc/27/38/51/175273851.db2.gz FGPNCHFEXKPOQL-NSHDSACASA-N 2 2 245.326 1.830 10 0 BDAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@H+](C)CCO)c1 ZINC000043027246 175290198 /nfs/dbraw/zinc/29/01/98/175290198.db2.gz KSQDGZNVHWYBAO-GXFFZTMASA-N 2 2 238.331 1.008 10 0 BDAELP COc1cccc([C@@H]([C@H](C)[NH3+])[N@@H+](C)CCO)c1 ZINC000043027246 175290199 /nfs/dbraw/zinc/29/01/99/175290199.db2.gz KSQDGZNVHWYBAO-GXFFZTMASA-N 2 2 238.331 1.008 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021363 176103343 /nfs/dbraw/zinc/10/33/43/176103343.db2.gz MJAYBHLTRCGYOP-YPMHNXCESA-N 2 2 219.332 1.813 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021363 176103345 /nfs/dbraw/zinc/10/33/45/176103345.db2.gz MJAYBHLTRCGYOP-YPMHNXCESA-N 2 2 219.332 1.813 10 0 BDAELP C[C@@H]1CCC[C@](C[NH3+])([NH+]2CCOCC2)C1 ZINC000019511841 176151265 /nfs/dbraw/zinc/15/12/65/176151265.db2.gz ZGOOFFOWCCIXBX-NEPJUHHUSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000044526817 176168486 /nfs/dbraw/zinc/16/84/86/176168486.db2.gz XEHDHQPBNLQBMI-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1CC[N@@H+](CC2CC[NH+](C)CC2)CC[NH2+]1 ZINC000044526817 176168488 /nfs/dbraw/zinc/16/84/88/176168488.db2.gz XEHDHQPBNLQBMI-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000309750805 176274072 /nfs/dbraw/zinc/27/40/72/176274072.db2.gz GQTDRISCAZHIJC-NDBYEHHHSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000309750805 176274074 /nfs/dbraw/zinc/27/40/74/176274074.db2.gz GQTDRISCAZHIJC-NDBYEHHHSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@H+](Cc2csc(C[NH3+])n2)CCCO1 ZINC000061935609 176310294 /nfs/dbraw/zinc/31/02/94/176310294.db2.gz ISMCFDVPNKYTES-SECBINFHSA-N 2 2 241.360 1.213 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2csc(C[NH3+])n2)CCCO1 ZINC000061935609 176310296 /nfs/dbraw/zinc/31/02/96/176310296.db2.gz ISMCFDVPNKYTES-SECBINFHSA-N 2 2 241.360 1.213 10 0 BDAELP C[C@H](c1cnn(C)c1)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357860 177052094 /nfs/dbraw/zinc/05/20/94/177052094.db2.gz RUMPYLJLFBDZRA-KWCYVHTRSA-N 2 2 248.374 1.698 10 0 BDAELP C[C@H](c1cnn(C)c1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051357860 177052096 /nfs/dbraw/zinc/05/20/96/177052096.db2.gz RUMPYLJLFBDZRA-KWCYVHTRSA-N 2 2 248.374 1.698 10 0 BDAELP C[C@H]1COCC[N@@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000035776355 177292550 /nfs/dbraw/zinc/29/25/50/177292550.db2.gz MZNCXXMSYYDXFQ-JTQLQIEISA-N 2 2 233.315 1.191 10 0 BDAELP C[C@H]1COCC[N@H+]1Cc1ccccc1C(N)=[NH2+] ZINC000035776355 177292552 /nfs/dbraw/zinc/29/25/52/177292552.db2.gz MZNCXXMSYYDXFQ-JTQLQIEISA-N 2 2 233.315 1.191 10 0 BDAELP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000400518583 226345693 /nfs/dbraw/zinc/34/56/93/226345693.db2.gz NSQILCKCWNLCNX-IGQOVBAYSA-N 3 2 237.391 1.201 10 0 BDAELP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CC[NH2+]C1 ZINC000400518583 226345694 /nfs/dbraw/zinc/34/56/94/226345694.db2.gz NSQILCKCWNLCNX-IGQOVBAYSA-N 3 2 237.391 1.201 10 0 BDAELP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000314898609 487670009 /nfs/dbraw/zinc/67/00/09/487670009.db2.gz NCYHVXMNLDCDRG-FPMFFAJLSA-N 3 2 248.374 1.022 10 0 BDAELP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000314898609 487670014 /nfs/dbraw/zinc/67/00/14/487670014.db2.gz NCYHVXMNLDCDRG-FPMFFAJLSA-N 3 2 248.374 1.022 10 0 BDAELP COc1ccccc1OCC[NH2+][C@@H]1CC[NH2+]C1 ZINC000562958740 323035224 /nfs/dbraw/zinc/03/52/24/323035224.db2.gz QUOSUWGYMAPFIA-LLVKDONJSA-N 2 2 236.315 1.026 10 0 BDAELP CCc1cnc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)o1 ZINC000567169806 323168812 /nfs/dbraw/zinc/16/88/12/323168812.db2.gz AEPPOALVVJBQTJ-LLVKDONJSA-N 2 2 237.347 1.811 10 0 BDAELP CCc1cnc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)o1 ZINC000567169806 323168813 /nfs/dbraw/zinc/16/88/13/323168813.db2.gz AEPPOALVVJBQTJ-LLVKDONJSA-N 2 2 237.347 1.811 10 0 BDAELP CCc1cnc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)o1 ZINC000567169807 323168818 /nfs/dbraw/zinc/16/88/18/323168818.db2.gz AEPPOALVVJBQTJ-NSHDSACASA-N 2 2 237.347 1.811 10 0 BDAELP CCc1cnc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)o1 ZINC000567169807 323168819 /nfs/dbraw/zinc/16/88/19/323168819.db2.gz AEPPOALVVJBQTJ-NSHDSACASA-N 2 2 237.347 1.811 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000121604293 324018889 /nfs/dbraw/zinc/01/88/89/324018889.db2.gz OQGDWLYINSQFEX-SBFPOUOMSA-N 2 2 224.348 1.379 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000121604293 324018897 /nfs/dbraw/zinc/01/88/97/324018897.db2.gz OQGDWLYINSQFEX-SBFPOUOMSA-N 2 2 224.348 1.379 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000398549581 488221600 /nfs/dbraw/zinc/22/16/00/488221600.db2.gz YVJBFUPUBCQTBB-NWDGAFQWSA-N 2 2 214.353 1.221 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000398549581 488221604 /nfs/dbraw/zinc/22/16/04/488221604.db2.gz YVJBFUPUBCQTBB-NWDGAFQWSA-N 2 2 214.353 1.221 10 0 BDAELP CC[N@@H+]1CCO[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000238853082 521706129 /nfs/dbraw/zinc/70/61/29/521706129.db2.gz IHYHVOPKIDYLEC-QWHCGFSZSA-N 2 2 220.316 1.407 10 0 BDAELP CC[N@H+]1CCO[C@@H](C[NH3+])[C@H]1c1ccccc1 ZINC000238853082 521706130 /nfs/dbraw/zinc/70/61/30/521706130.db2.gz IHYHVOPKIDYLEC-QWHCGFSZSA-N 2 2 220.316 1.407 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]CC[C@@H]1CCOC1 ZINC000400553312 528501990 /nfs/dbraw/zinc/50/19/90/528501990.db2.gz KUUXBJNTEATBSB-ZIAGYGMSSA-N 2 2 242.407 1.979 10 0 BDAELP CCc1cc(N2CCC([NH3+])CC2)nc(CC)[nH+]1 ZINC000045951010 536145334 /nfs/dbraw/zinc/14/53/34/536145334.db2.gz FSPXENHFJMJACF-UHFFFAOYSA-N 2 2 234.347 1.529 10 0 BDAELP CC1(C)CCC[C@@H](C[N@@H+]2CC[C@@H]2C[NH3+])O1 ZINC000757145509 582528216 /nfs/dbraw/zinc/52/82/16/582528216.db2.gz MUUHQTRUBOSGAX-MNOVXSKESA-N 2 2 212.337 1.367 10 0 BDAELP CC1(C)CCC[C@@H](C[N@H+]2CC[C@@H]2C[NH3+])O1 ZINC000757145509 582528218 /nfs/dbraw/zinc/52/82/18/582528218.db2.gz MUUHQTRUBOSGAX-MNOVXSKESA-N 2 2 212.337 1.367 10 0 BDAELP CC(=O)c1ccc([C@@H]2C[C@@H](C)[C@@H]([NH3+])C[NH2+]2)cc1 ZINC000757218520 582562607 /nfs/dbraw/zinc/56/26/07/582562607.db2.gz VNKGTEPDYZJKMY-IIMNLJJBSA-N 2 2 232.327 1.887 10 0 BDAELP Cc1cccc(CCn2cc[nH+]c2N)[nH+]1 ZINC000702629848 582926600 /nfs/dbraw/zinc/92/66/00/582926600.db2.gz GZANDZRQBRBETQ-UHFFFAOYSA-N 2 2 202.261 1.411 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@H](c2ccc(C[NH3+])cc2)[NH2+]1 ZINC000757214536 586440173 /nfs/dbraw/zinc/44/01/73/586440173.db2.gz MPKYWJCYNHTCOS-ICCXJUOJSA-N 3 2 219.332 1.286 10 0 BDAELP C[C@@H]1C[NH2+][C@@H](c2cccc(C=O)c2)[C@H]([NH3+])C1 ZINC000757217549 586441727 /nfs/dbraw/zinc/44/17/27/586441727.db2.gz SEHYQMFNGRZMKW-BIMULSAOSA-N 2 2 218.300 1.497 10 0 BDAELP [NH3+]Cc1cc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])ccc1C1CC1 ZINC000757231386 586443192 /nfs/dbraw/zinc/44/31/92/586443192.db2.gz HRTBSQRFHITOCN-GJZGRUSLSA-N 3 2 245.370 1.775 10 0 BDAELP [NH3+]Cc1cc([C@H]2CC[C@@H]([NH3+])C[NH2+]2)ccc1C1CC1 ZINC000757238181 586443896 /nfs/dbraw/zinc/44/38/96/586443896.db2.gz RQFQDJHTIWGZGP-UKRRQHHQSA-N 3 2 245.370 1.775 10 0 BDAELP C[C@H]([NH3+])CN(C)c1[nH+]c2ccccc2n1C ZINC000212220024 591328480 /nfs/dbraw/zinc/32/84/80/591328480.db2.gz RUKSYCVTQXJUJP-VIFPVBQESA-N 2 2 218.304 1.357 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1COCC1(C)C ZINC000313075211 634446746 /nfs/dbraw/zinc/44/67/46/634446746.db2.gz IWPXHEXUSDWLJT-OLZOCXBDSA-N 2 2 242.407 1.977 10 0 BDAELP CN(C)c1cc(NCCC(C)(C)[NH3+])nc[nH+]1 ZINC000258768591 635196989 /nfs/dbraw/zinc/19/69/89/635196989.db2.gz YOHJZFODLAFJRB-UHFFFAOYSA-N 2 2 223.324 1.082 10 0 BDAELP CN(C)c1cc(NCCC(C)(C)[NH3+])[nH+]cn1 ZINC000258768591 635196983 /nfs/dbraw/zinc/19/69/83/635196983.db2.gz YOHJZFODLAFJRB-UHFFFAOYSA-N 2 2 223.324 1.082 10 0 BDAELP C[N@H+](C[C@H]1CC[NH+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000221355778 635330221 /nfs/dbraw/zinc/33/02/21/635330221.db2.gz ZKNMXJOIOLOPBS-KBPBESRZSA-N 3 2 239.407 1.260 10 0 BDAELP C[N@@H+](C[C@H]1CC[NH+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000221355778 635330235 /nfs/dbraw/zinc/33/02/35/635330235.db2.gz ZKNMXJOIOLOPBS-KBPBESRZSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@H]1CC[N@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000221355778 635330244 /nfs/dbraw/zinc/33/02/44/635330244.db2.gz ZKNMXJOIOLOPBS-KBPBESRZSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@H]1CC[N@@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000221355778 635330254 /nfs/dbraw/zinc/33/02/54/635330254.db2.gz ZKNMXJOIOLOPBS-KBPBESRZSA-N 3 2 239.407 1.260 10 0 BDAELP Cc1ccc(OCC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000235368001 635575504 /nfs/dbraw/zinc/57/55/04/635575504.db2.gz DNAJAMASFBJYQI-OCCSQVGLSA-N 2 2 234.343 1.653 10 0 BDAELP Cc1ccc(OCC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000235368001 635575508 /nfs/dbraw/zinc/57/55/08/635575508.db2.gz DNAJAMASFBJYQI-OCCSQVGLSA-N 2 2 234.343 1.653 10 0 BDAELP CCOC(=O)[C@](C)([NH3+])C[C@H](C)n1cc[nH+]c1 ZINC000082800121 643382812 /nfs/dbraw/zinc/38/28/12/643382812.db2.gz ARYQAEGUGFLWIS-GXSJLCMTSA-N 2 2 225.292 1.115 10 0 BDAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H]1CCCO1 ZINC000250732225 644777375 /nfs/dbraw/zinc/77/73/75/644777375.db2.gz KTKSQRFEJTYOQG-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H]1CCCO1 ZINC000250732225 644777383 /nfs/dbraw/zinc/77/73/83/644777383.db2.gz KTKSQRFEJTYOQG-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CC(=O)[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000314421042 711739288 /nfs/dbraw/zinc/73/92/88/711739288.db2.gz XQMPQRKUMOKSRK-ZDUSSCGKSA-N 2 2 249.358 1.654 10 0 BDAELP CC(=O)[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000314421042 711739289 /nfs/dbraw/zinc/73/92/89/711739289.db2.gz XQMPQRKUMOKSRK-ZDUSSCGKSA-N 2 2 249.358 1.654 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccc(Cl)cn2)C[C@@H]1C[NH3+] ZINC000708874102 712202149 /nfs/dbraw/zinc/20/21/49/712202149.db2.gz CRCDLJZNPJPNKJ-UWVGGRQHSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccc(Cl)cn2)C[C@@H]1C[NH3+] ZINC000708874102 712202150 /nfs/dbraw/zinc/20/21/50/712202150.db2.gz CRCDLJZNPJPNKJ-UWVGGRQHSA-N 2 2 239.750 1.762 10 0 BDAELP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccnn2C)CC1 ZINC000714759945 712498641 /nfs/dbraw/zinc/49/86/41/712498641.db2.gz YHQHNYRPRQPYDG-NSHDSACASA-N 2 2 236.363 1.684 10 0 BDAELP C[NH2+]CC(F)(F)Cn1cc(C)[nH+]c1C ZINC000685956367 538902447 /nfs/dbraw/zinc/90/24/47/538902447.db2.gz CQWKVAYSPKWYJP-UHFFFAOYSA-N 2 2 203.236 1.355 10 0 BDAELP Nc1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616611840 349473800 /nfs/dbraw/zinc/47/38/00/349473800.db2.gz GWMKEFOSNISHPA-NSHDSACASA-N 2 2 205.305 1.017 10 0 BDAELP Nc1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616611840 349473804 /nfs/dbraw/zinc/47/38/04/349473804.db2.gz GWMKEFOSNISHPA-NSHDSACASA-N 2 2 205.305 1.017 10 0 BDAELP Cc1cc(N2CC[C@@H]([NH+](C)C)C2)nc(C2CC2)[nH+]1 ZINC000116260871 178117432 /nfs/dbraw/zinc/11/74/32/178117432.db2.gz XWOOLBJDLMRMFN-GFCCVEGCSA-N 2 2 246.358 1.803 10 0 BDAELP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C1)OC ZINC000381294748 398250300 /nfs/dbraw/zinc/25/03/00/398250300.db2.gz OVQYQPARFKFLIS-XQQFMLRXSA-N 2 2 228.380 1.731 10 0 BDAELP CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C1)OC ZINC000381294748 398250309 /nfs/dbraw/zinc/25/03/09/398250309.db2.gz OVQYQPARFKFLIS-XQQFMLRXSA-N 2 2 228.380 1.731 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2cncc3ccccc32)C1 ZINC000616612566 349581956 /nfs/dbraw/zinc/58/19/56/349581956.db2.gz PBLMHXLAXOPECA-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2cncc3ccccc32)C1 ZINC000616612566 349581959 /nfs/dbraw/zinc/58/19/59/349581959.db2.gz PBLMHXLAXOPECA-ZDUSSCGKSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccnc3ccccc32)C1 ZINC000616612877 349599770 /nfs/dbraw/zinc/59/97/70/349599770.db2.gz YHGRAMQAAROHDX-GFCCVEGCSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccnc3ccccc32)C1 ZINC000616612877 349599771 /nfs/dbraw/zinc/59/97/71/349599771.db2.gz YHGRAMQAAROHDX-GFCCVEGCSA-N 2 2 241.338 1.983 10 0 BDAELP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1(F)CC1 ZINC000306657059 361867789 /nfs/dbraw/zinc/86/77/89/361867789.db2.gz HRFLBYWLAYPEML-VHSXEESVSA-N 2 2 200.301 1.690 10 0 BDAELP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1(F)CC1 ZINC000306657059 361867796 /nfs/dbraw/zinc/86/77/96/361867796.db2.gz HRFLBYWLAYPEML-VHSXEESVSA-N 2 2 200.301 1.690 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000336652484 346864563 /nfs/dbraw/zinc/86/45/63/346864563.db2.gz IKSUCLIZZSFNFG-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000336652484 346864567 /nfs/dbraw/zinc/86/45/67/346864567.db2.gz IKSUCLIZZSFNFG-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CCOC1CC([NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000381458986 539001327 /nfs/dbraw/zinc/00/13/27/539001327.db2.gz KJKZNWBUFWMUOD-WTIISPKJSA-N 2 2 226.364 1.484 10 0 BDAELP CCOC1CC([NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000381458986 539001328 /nfs/dbraw/zinc/00/13/28/539001328.db2.gz KJKZNWBUFWMUOD-WTIISPKJSA-N 2 2 226.364 1.484 10 0 BDAELP CC[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000247015984 343027543 /nfs/dbraw/zinc/02/75/43/343027543.db2.gz JAEGODIHOIBTAR-OLZOCXBDSA-N 2 2 240.391 1.970 10 0 BDAELP CC[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000247015984 343027544 /nfs/dbraw/zinc/02/75/44/343027544.db2.gz JAEGODIHOIBTAR-OLZOCXBDSA-N 2 2 240.391 1.970 10 0 BDAELP CC[NH2+]Cc1cn(Cc2[nH+]ccn2C(C)C)nn1 ZINC000641051333 362165323 /nfs/dbraw/zinc/16/53/23/362165323.db2.gz NCEGEGYSROQIAO-UHFFFAOYSA-N 2 2 248.334 1.213 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000712090542 537784022 /nfs/dbraw/zinc/78/40/22/537784022.db2.gz YAOPQMTVRYFEMF-ZDUSSCGKSA-N 3 2 239.407 1.530 10 0 BDAELP CC[N@H+]1CC[C@H]([NH3+])C12CC[NH+](CC(C)C)CC2 ZINC000712090542 537784027 /nfs/dbraw/zinc/78/40/27/537784027.db2.gz YAOPQMTVRYFEMF-ZDUSSCGKSA-N 3 2 239.407 1.530 10 0 BDAELP C/C=C(\C)c1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000409432194 343825765 /nfs/dbraw/zinc/82/57/65/343825765.db2.gz VBABNNCQBNAGTF-ONNFQVAWSA-N 2 2 232.331 1.618 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1cncc(Br)c1 ZINC000135129175 343940236 /nfs/dbraw/zinc/94/02/36/343940236.db2.gz WMMHEJGERUMIEK-MRVPVSSYSA-N 2 2 230.109 1.063 10 0 BDAELP C[NH2+][C@H](C=C(C)C)[C@H]1CSCC[N@@H+]1C ZINC000234477907 343974101 /nfs/dbraw/zinc/97/41/01/343974101.db2.gz FTVLXXIBOGQCBL-GHMZBOCLSA-N 2 2 214.378 1.588 10 0 BDAELP C[NH2+][C@H](C=C(C)C)[C@H]1CSCC[N@H+]1C ZINC000234477907 343974103 /nfs/dbraw/zinc/97/41/03/343974103.db2.gz FTVLXXIBOGQCBL-GHMZBOCLSA-N 2 2 214.378 1.588 10 0 BDAELP C[C@@H]1C[NH2+]C[C@@H]([NH+]2CCSCC2)C1 ZINC000401956746 344082252 /nfs/dbraw/zinc/08/22/52/344082252.db2.gz PBRGPUOWIPQJKO-UWVGGRQHSA-N 2 2 200.351 1.033 10 0 BDAELP C1C[C@H]([N@@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)CS1 ZINC000221359265 344734375 /nfs/dbraw/zinc/73/43/75/344734375.db2.gz LJIXFYUVSQOBFD-VWYCJHECSA-N 2 2 212.362 1.176 10 0 BDAELP C1C[C@H]([N@H+]2CCC[C@@H]3C[NH2+]C[C@@H]32)CS1 ZINC000221359265 344734379 /nfs/dbraw/zinc/73/43/79/344734379.db2.gz LJIXFYUVSQOBFD-VWYCJHECSA-N 2 2 212.362 1.176 10 0 BDAELP Nc1cc[nH+]c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000117951859 344765571 /nfs/dbraw/zinc/76/55/71/344765571.db2.gz HGIIQAVLRPBQRH-UHFFFAOYSA-N 2 2 247.346 1.123 10 0 BDAELP Cc1[nH]c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)[nH+]c1C ZINC000628176162 344900636 /nfs/dbraw/zinc/90/06/36/344900636.db2.gz YNXBOFOLVJRIJF-MFKMUULPSA-N 2 2 248.374 1.695 10 0 BDAELP Cc1[nH]c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)[nH+]c1C ZINC000628176162 344900638 /nfs/dbraw/zinc/90/06/38/344900638.db2.gz YNXBOFOLVJRIJF-MFKMUULPSA-N 2 2 248.374 1.695 10 0 BDAELP CO[C@@H](C)C[NH2+]CC[NH2+]Cc1ccccc1 ZINC000224611167 344956332 /nfs/dbraw/zinc/95/63/32/344956332.db2.gz IGFOFRFCHFZMNS-LBPRGKRZSA-N 2 2 222.332 1.401 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CC2)C[C@H](C)S1 ZINC000235638028 344961208 /nfs/dbraw/zinc/96/12/08/344961208.db2.gz MUXXUGOCSBODOG-DTORHVGOSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CC2)C[C@H](C)S1 ZINC000235638028 344961210 /nfs/dbraw/zinc/96/12/10/344961210.db2.gz MUXXUGOCSBODOG-DTORHVGOSA-N 2 2 200.351 1.304 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@](C)(C[NH3+])C1 ZINC000234946871 537882536 /nfs/dbraw/zinc/88/25/36/537882536.db2.gz BYOXZSZLKBWOGY-GFCCVEGCSA-N 2 2 221.304 1.265 10 0 BDAELP Cn1cc([C@@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cn1 ZINC000634992168 345180002 /nfs/dbraw/zinc/18/00/02/345180002.db2.gz GKAPOVQXVPXNQV-QRMWWUJWSA-N 2 2 246.358 1.309 10 0 BDAELP Cn1cc([C@@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cn1 ZINC000634992168 345180005 /nfs/dbraw/zinc/18/00/05/345180005.db2.gz GKAPOVQXVPXNQV-QRMWWUJWSA-N 2 2 246.358 1.309 10 0 BDAELP C[C@H]([NH3+])Cn1c[nH+]cc1-c1cccs1 ZINC000133521315 345378334 /nfs/dbraw/zinc/37/83/34/345378334.db2.gz ZWWDVQOGWNJTML-QMMMGPOBSA-N 2 2 207.302 1.959 10 0 BDAELP CC(C)C[C@@H]([NH3+])CN1CCn2cc[nH+]c2C1 ZINC000062321509 192089295 /nfs/dbraw/zinc/08/92/95/192089295.db2.gz SBRCOTHTCZQXRM-LLVKDONJSA-N 2 2 222.336 1.072 10 0 BDAELP C[C@@H]1CCn2cc([C@@H]3CCC[NH2+]C3)[nH+]c2C1 ZINC000258172741 345781111 /nfs/dbraw/zinc/78/11/11/345781111.db2.gz DZQRCSTZIUNKGO-GHMZBOCLSA-N 2 2 219.332 1.932 10 0 BDAELP Cc1[nH]c(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)[nH+]c1C ZINC000628279774 346290506 /nfs/dbraw/zinc/29/05/06/346290506.db2.gz YONDPUBERPTBOF-SKDRFNHKSA-N 2 2 236.363 1.408 10 0 BDAELP c1csc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)n1 ZINC000309624196 347123311 /nfs/dbraw/zinc/12/33/11/347123311.db2.gz PURYPGOSKPJCDL-SECBINFHSA-N 2 2 234.328 1.444 10 0 BDAELP COc1cccc2c1CC[C@H]1C[N@H+](CC[NH3+])C[C@@H]21 ZINC000039020815 347175784 /nfs/dbraw/zinc/17/57/84/347175784.db2.gz MBNLVNWVBKNFGI-SMDDNHRTSA-N 2 2 246.354 1.616 10 0 BDAELP COc1cccc2c1CC[C@H]1C[N@@H+](CC[NH3+])C[C@@H]21 ZINC000039020815 347175786 /nfs/dbraw/zinc/17/57/86/347175786.db2.gz MBNLVNWVBKNFGI-SMDDNHRTSA-N 2 2 246.354 1.616 10 0 BDAELP CCO[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000149471465 347236311 /nfs/dbraw/zinc/23/63/11/347236311.db2.gz YIWVMHCEGJARCH-STQMWFEESA-N 2 2 220.316 1.235 10 0 BDAELP CCO[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] ZINC000149471465 347236313 /nfs/dbraw/zinc/23/63/13/347236313.db2.gz YIWVMHCEGJARCH-STQMWFEESA-N 2 2 220.316 1.235 10 0 BDAELP C[N@H+]([C@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000250373630 362801799 /nfs/dbraw/zinc/80/17/99/362801799.db2.gz HYAQEMZWGSOUSM-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[N@@H+]([C@H]1CCSC1)[C@H]1CCC[NH2+]C1 ZINC000250373630 362801802 /nfs/dbraw/zinc/80/18/02/362801802.db2.gz HYAQEMZWGSOUSM-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[NH+]2CCC(O)CC2)c1 ZINC000020178962 179198592 /nfs/dbraw/zinc/19/85/92/179198592.db2.gz PAIPBWRQUPSHDR-AWEZNQCLSA-N 2 2 234.343 1.452 10 0 BDAELP Cc1ccccc1OCC[C@H](C[NH3+])[NH+](C)C ZINC000019663658 179311920 /nfs/dbraw/zinc/31/19/20/179311920.db2.gz LKRKPXJACSEERN-GFCCVEGCSA-N 2 2 222.332 1.653 10 0 BDAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@H+](CCO)C1CC1 ZINC000043037120 179328010 /nfs/dbraw/zinc/32/80/10/179328010.db2.gz MFDFWDSDOIEKIJ-SWLSCSKDSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[N@@H+](CCO)C1CC1 ZINC000043037120 179328012 /nfs/dbraw/zinc/32/80/12/179328012.db2.gz MFDFWDSDOIEKIJ-SWLSCSKDSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@@H+]1CC[C@H](O)C1 ZINC000061709866 179346655 /nfs/dbraw/zinc/34/66/55/179346655.db2.gz WTGNBOWSBSAQSB-DYEKYZERSA-N 2 2 234.343 1.450 10 0 BDAELP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[N@H+]1CC[C@H](O)C1 ZINC000061709866 179346657 /nfs/dbraw/zinc/34/66/57/179346657.db2.gz WTGNBOWSBSAQSB-DYEKYZERSA-N 2 2 234.343 1.450 10 0 BDAELP Cc1nc2c(s1)C[N@H+](CCC[NH3+])CC2 ZINC000041583275 180075085 /nfs/dbraw/zinc/07/50/85/180075085.db2.gz URAAYDZEPMTWGF-UHFFFAOYSA-N 2 2 211.334 1.158 10 0 BDAELP Cc1nc2c(s1)C[N@@H+](CCC[NH3+])CC2 ZINC000041583275 180075088 /nfs/dbraw/zinc/07/50/88/180075088.db2.gz URAAYDZEPMTWGF-UHFFFAOYSA-N 2 2 211.334 1.158 10 0 BDAELP C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000313846421 350166082 /nfs/dbraw/zinc/16/60/82/350166082.db2.gz BNQIPRPPHAYROL-YPMHNXCESA-N 2 2 237.347 1.198 10 0 BDAELP C[C@@H]1[C@@H](O)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000313846421 350166086 /nfs/dbraw/zinc/16/60/86/350166086.db2.gz BNQIPRPPHAYROL-YPMHNXCESA-N 2 2 237.347 1.198 10 0 BDAELP Cc1nc(N[C@H](C)CCCC[NH3+])cc[nH+]1 ZINC000308877926 180205512 /nfs/dbraw/zinc/20/55/12/180205512.db2.gz DJIXCSVAFZUHNZ-SECBINFHSA-N 2 2 208.309 1.714 10 0 BDAELP Cc1nccc(C[N@H+]2CC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000053034046 180186220 /nfs/dbraw/zinc/18/62/20/180186220.db2.gz GLXXGFKGUWFQEU-ZDUSSCGKSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nccc(C[N@@H+]2CC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000053034046 180186221 /nfs/dbraw/zinc/18/62/21/180186221.db2.gz GLXXGFKGUWFQEU-ZDUSSCGKSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427523 180253894 /nfs/dbraw/zinc/25/38/94/180253894.db2.gz ZETSYEIRLCNIDW-AAEUAGOBSA-N 3 2 236.363 1.251 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427523 180253897 /nfs/dbraw/zinc/25/38/97/180253897.db2.gz ZETSYEIRLCNIDW-AAEUAGOBSA-N 3 2 236.363 1.251 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324624424 350308411 /nfs/dbraw/zinc/30/84/11/350308411.db2.gz QPCPTKCTTZFZPE-GHMZBOCLSA-N 2 2 214.353 1.077 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324624424 350308415 /nfs/dbraw/zinc/30/84/15/350308415.db2.gz QPCPTKCTTZFZPE-GHMZBOCLSA-N 2 2 214.353 1.077 10 0 BDAELP Cc1[nH+]cn(-c2nc3ccccn3c2C[NH3+])c1C ZINC000051927452 180286375 /nfs/dbraw/zinc/28/63/75/180286375.db2.gz HFIRVUGUJSXBSH-UHFFFAOYSA-N 2 2 241.298 1.596 10 0 BDAELP Nc1cccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)n1 ZINC000616602479 350792109 /nfs/dbraw/zinc/79/21/09/350792109.db2.gz XUKPLVZGGIIEDA-LLVKDONJSA-N 2 2 234.347 1.192 10 0 BDAELP Nc1cccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)n1 ZINC000616602479 350792115 /nfs/dbraw/zinc/79/21/15/350792115.db2.gz XUKPLVZGGIIEDA-LLVKDONJSA-N 2 2 234.347 1.192 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cocn2)C1 ZINC000616603811 350795679 /nfs/dbraw/zinc/79/56/79/350795679.db2.gz IMOYTFCNYALJSV-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cocn2)C1 ZINC000616603811 350795683 /nfs/dbraw/zinc/79/56/83/350795683.db2.gz IMOYTFCNYALJSV-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP CC[C@@H]1CS[C@@]2(CC[C@@H](C)[NH2+]C2)[NH2+]1 ZINC000306685809 350842805 /nfs/dbraw/zinc/84/28/05/350842805.db2.gz 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LMSMOYHYEFJWOL-CQSZACIVSA-N 2 2 242.326 1.725 10 0 BDAELP Nc1cccc([C@@H]2CCCCCN2CC[NH3+])[nH+]1 ZINC000616625793 351094737 /nfs/dbraw/zinc/09/47/37/351094737.db2.gz WHACJZCPANKXJI-LBPRGKRZSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])n1 ZINC000616625793 351094738 /nfs/dbraw/zinc/09/47/38/351094738.db2.gz WHACJZCPANKXJI-LBPRGKRZSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])n1 ZINC000616625793 351094740 /nfs/dbraw/zinc/09/47/40/351094740.db2.gz WHACJZCPANKXJI-LBPRGKRZSA-N 2 2 234.347 1.540 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cncnc2)CC1 ZINC000616628565 351098588 /nfs/dbraw/zinc/09/85/88/351098588.db2.gz NBTCGJFUUZLWRH-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cncnc2)CC1 ZINC000616628565 351098590 /nfs/dbraw/zinc/09/85/90/351098590.db2.gz NBTCGJFUUZLWRH-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]C[C@@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616659562 351206815 /nfs/dbraw/zinc/20/68/15/351206815.db2.gz 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10 0 BDAELP CSc1ccc(C2=C[C@@H]([NH3+])C[NH2+]C2)cc1 ZINC000675079297 538517808 /nfs/dbraw/zinc/51/78/08/538517808.db2.gz XMSJJVCUMQNPFU-LLVKDONJSA-N 2 2 220.341 1.722 10 0 BDAELP Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)nc[nH+]1 ZINC000389716790 357018630 /nfs/dbraw/zinc/01/86/30/357018630.db2.gz AMDWENGWMDALJE-WPRPVWTQSA-N 2 2 206.293 1.195 10 0 BDAELP C[N@H+](C1CCCCC1)[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948374 538890103 /nfs/dbraw/zinc/89/01/03/538890103.db2.gz KZEKDVNQUXCRPN-RYUDHWBXSA-N 2 2 214.328 1.951 10 0 BDAELP C[N@@H+](C1CCCCC1)[C@H]1CC[NH2+]C[C@@H]1F ZINC000685948374 538890104 /nfs/dbraw/zinc/89/01/04/538890104.db2.gz KZEKDVNQUXCRPN-RYUDHWBXSA-N 2 2 214.328 1.951 10 0 BDAELP COC[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247059809 359191016 /nfs/dbraw/zinc/19/10/16/359191016.db2.gz NZGREHVVVIILRS-DGCLKSJQSA-N 2 2 237.347 1.691 10 0 BDAELP COC[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247059809 359191019 /nfs/dbraw/zinc/19/10/19/359191019.db2.gz NZGREHVVVIILRS-DGCLKSJQSA-N 2 2 237.347 1.691 10 0 BDAELP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cscn1 ZINC000306206081 359295488 /nfs/dbraw/zinc/29/54/88/359295488.db2.gz PKXRWRKVZBPPGS-WCBMZHEXSA-N 2 2 211.334 1.231 10 0 BDAELP CC[C@@H](C(N)=[NH2+])[N@@H+]1CCSC[C@@H]1C ZINC000069761054 360409373 /nfs/dbraw/zinc/40/93/73/360409373.db2.gz FGWBPIZKBJROKJ-YUMQZZPRSA-N 2 2 201.339 1.138 10 0 BDAELP CC[C@@H](C(N)=[NH2+])[N@H+]1CCSC[C@@H]1C ZINC000069761054 360409376 /nfs/dbraw/zinc/40/93/76/360409376.db2.gz FGWBPIZKBJROKJ-YUMQZZPRSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@@H]1C[NH2+][C@@](C)([C@@H]2CC[NH2+]C2)SC1 ZINC000306580326 360470869 /nfs/dbraw/zinc/47/08/69/360470869.db2.gz OKLCNHVYDSXTNV-OPRDCNLKSA-N 2 2 200.351 1.285 10 0 BDAELP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CC[NH2+]C1)C2 ZINC000629514043 361110725 /nfs/dbraw/zinc/11/07/25/361110725.db2.gz OZOSLJOPSJGTOT-KGLIPLIRSA-N 2 2 232.327 1.079 10 0 BDAELP c1ccc2c(c1)CO[C@H](C[NH2+][C@H]1CC[NH2+]C1)C2 ZINC000629514042 361110888 /nfs/dbraw/zinc/11/08/88/361110888.db2.gz OZOSLJOPSJGTOT-KBPBESRZSA-N 2 2 232.327 1.079 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630364017 364082247 /nfs/dbraw/zinc/08/22/47/364082247.db2.gz OEPIVCKEFRZRDX-STQMWFEESA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630364017 364082251 /nfs/dbraw/zinc/08/22/51/364082251.db2.gz OEPIVCKEFRZRDX-STQMWFEESA-N 2 2 235.331 1.020 10 0 BDAELP C[C@H]1C[C@H]([NH3+])CN1c1[nH+]c2ccccc2n1C ZINC000630559174 364260306 /nfs/dbraw/zinc/26/03/06/364260306.db2.gz PLVUYYDZVUNAEF-UWVGGRQHSA-N 2 2 230.315 1.499 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000576044403 365460943 /nfs/dbraw/zinc/46/09/43/365460943.db2.gz SGBPNIYXXACTFP-DLOVCJGASA-N 2 2 235.331 1.406 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1 ZINC000576044403 365460949 /nfs/dbraw/zinc/46/09/49/365460949.db2.gz SGBPNIYXXACTFP-DLOVCJGASA-N 2 2 235.331 1.406 10 0 BDAELP Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)nc[nH+]1 ZINC000380691031 367280999 /nfs/dbraw/zinc/28/09/99/367280999.db2.gz IRHOGDSAMPIYTF-BXKDBHETSA-N 2 2 220.320 1.206 10 0 BDAELP Cc1cc(NC(=O)[C@@]2(C)CCC[NH2+]2)cc[nH+]1 ZINC000086114132 368874922 /nfs/dbraw/zinc/87/49/22/368874922.db2.gz ZFTUSRPQDHKNNH-GFCCVEGCSA-N 2 2 219.288 1.471 10 0 BDAELP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000631843429 369375741 /nfs/dbraw/zinc/37/57/41/369375741.db2.gz NOLFNOZTHJEXBT-NWDGAFQWSA-N 2 2 247.342 1.152 10 0 BDAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000631843429 369375743 /nfs/dbraw/zinc/37/57/43/369375743.db2.gz NOLFNOZTHJEXBT-NWDGAFQWSA-N 2 2 247.342 1.152 10 0 BDAELP c1cc(OCC[NH+]2CCOCC2)cc2c1C[NH2+]C2 ZINC000113592254 370439002 /nfs/dbraw/zinc/43/90/02/370439002.db2.gz IQJUZNJDZYTMBU-UHFFFAOYSA-N 2 2 248.326 1.001 10 0 BDAELP Cc1cc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccn1 ZINC000621776562 370524087 /nfs/dbraw/zinc/52/40/87/370524087.db2.gz ONLKCGPVGCIBDT-SKDRFNHKSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)ccn1 ZINC000621776562 370524089 /nfs/dbraw/zinc/52/40/89/370524089.db2.gz ONLKCGPVGCIBDT-SKDRFNHKSA-N 2 2 205.305 1.169 10 0 BDAELP C[C@H]1C[NH2+]C[C@@]2(C1)[NH2+]C(C)(C)CS2 ZINC000401697737 371800635 /nfs/dbraw/zinc/80/06/35/371800635.db2.gz MAWRYOGPOBWTBI-SCZZXKLOSA-N 2 2 200.351 1.427 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1sccc1Br ZINC000228004130 371971796 /nfs/dbraw/zinc/97/17/96/371971796.db2.gz WYVUXVSBYVDBGO-ZCFIWIBFSA-N 2 2 235.150 1.730 10 0 BDAELP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133316618 372022471 /nfs/dbraw/zinc/02/24/71/372022471.db2.gz TTYNGEWZJSMCEO-JTQLQIEISA-N 2 2 214.378 1.566 10 0 BDAELP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133316618 372022475 /nfs/dbraw/zinc/02/24/75/372022475.db2.gz TTYNGEWZJSMCEO-JTQLQIEISA-N 2 2 214.378 1.566 10 0 BDAELP CC1(C)C[N@H+](CC2([NH3+])CC2)CCS1 ZINC000133342506 372026527 /nfs/dbraw/zinc/02/65/27/372026527.db2.gz ARPPPWPKMIJJGI-UHFFFAOYSA-N 2 2 200.351 1.305 10 0 BDAELP CC1(C)C[N@@H+](CC2([NH3+])CC2)CCS1 ZINC000133342506 372026533 /nfs/dbraw/zinc/02/65/33/372026533.db2.gz ARPPPWPKMIJJGI-UHFFFAOYSA-N 2 2 200.351 1.305 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(C)(C)O ZINC000178324450 134308471 /nfs/dbraw/zinc/30/84/71/134308471.db2.gz KVMOWVIZIRVKBX-LBPRGKRZSA-N 2 2 237.347 1.427 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(C)(C)O ZINC000178324450 134308472 /nfs/dbraw/zinc/30/84/72/134308472.db2.gz KVMOWVIZIRVKBX-LBPRGKRZSA-N 2 2 237.347 1.427 10 0 BDAELP OC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]23)CCCCC1 ZINC000049567648 183020360 /nfs/dbraw/zinc/02/03/60/183020360.db2.gz IEDOSDHMZUNZJM-CHWSQXEVSA-N 2 2 238.375 1.508 10 0 BDAELP OC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]23)CCCCC1 ZINC000049567648 183020363 /nfs/dbraw/zinc/02/03/63/183020363.db2.gz IEDOSDHMZUNZJM-CHWSQXEVSA-N 2 2 238.375 1.508 10 0 BDAELP O[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575099 183190414 /nfs/dbraw/zinc/19/04/14/183190414.db2.gz DGAXCJOMFRZPEO-CHWSQXEVSA-N 2 2 226.364 1.365 10 0 BDAELP Oc1ccc2[nH]c(C3CC[NH2+]CC3)[nH+]c2c1 ZINC000040543294 183285836 /nfs/dbraw/zinc/28/58/36/183285836.db2.gz IKASKDHLBXPDRW-UHFFFAOYSA-N 2 2 217.272 1.736 10 0 BDAELP c1c[nH]c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000048408718 183325153 /nfs/dbraw/zinc/32/51/53/183325153.db2.gz BILISPHQTMOECG-UHFFFAOYSA-N 2 2 204.277 1.391 10 0 BDAELP CCC[NH2+]C[C@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000052477583 169263214 /nfs/dbraw/zinc/26/32/14/169263214.db2.gz CTHGLTVICZJZEM-ZDUSSCGKSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+][C@@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270538 169279278 /nfs/dbraw/zinc/27/92/78/169279278.db2.gz RWEKOQQCEASBRZ-AWEZNQCLSA-N 2 2 244.342 1.872 10 0 BDAELP Cc1cn2c[nH+]c(CC[NH3+])c2c(Cl)n1 ZINC000089195482 383941604 /nfs/dbraw/zinc/94/16/04/383941604.db2.gz NEKRIJJDTCXPKF-UHFFFAOYSA-N 2 2 210.668 1.192 10 0 BDAELP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733557 384134163 /nfs/dbraw/zinc/13/41/63/384134163.db2.gz INTVECXUDRCWHR-NXEZZACHSA-N 2 2 225.361 1.793 10 0 BDAELP C[NH2+][C@@H]([NH3+])CCCC(=O)OCc1ccccc1 ZINC000071186632 384154050 /nfs/dbraw/zinc/15/40/50/384154050.db2.gz ZVNBCOZHMBUFBH-GFCCVEGCSA-N 2 2 236.315 1.404 10 0 BDAELP CCn1cc[nH+]c1Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000302318257 384140565 /nfs/dbraw/zinc/14/05/65/384140565.db2.gz JGMVBOSVGMQSRU-LBPRGKRZSA-N 2 2 248.334 1.199 10 0 BDAELP Nc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000094442152 384302318 /nfs/dbraw/zinc/30/23/18/384302318.db2.gz FKMGETJFAKNAER-CYBMUJFWSA-N 2 2 246.358 1.334 10 0 BDAELP Nc1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc[nH+]1 ZINC000094442152 384302322 /nfs/dbraw/zinc/30/23/22/384302322.db2.gz FKMGETJFAKNAER-CYBMUJFWSA-N 2 2 246.358 1.334 10 0 BDAELP C[N@@H+](Cc1cncs1)C[C@@H]1CCC[NH2+]C1 ZINC000095071156 384338760 /nfs/dbraw/zinc/33/87/60/384338760.db2.gz GOVTURHONCZKSA-SNVBAGLBSA-N 2 2 225.361 1.575 10 0 BDAELP C[N@H+](Cc1cncs1)C[C@@H]1CCC[NH2+]C1 ZINC000095071156 384338768 /nfs/dbraw/zinc/33/87/68/384338768.db2.gz GOVTURHONCZKSA-SNVBAGLBSA-N 2 2 225.361 1.575 10 0 BDAELP Cn1cc(C[NH2+]CC[NH+](C)C)c2ccccc21 ZINC000045946153 384414629 /nfs/dbraw/zinc/41/46/29/384414629.db2.gz CCSHGZUTZYZQRD-UHFFFAOYSA-N 2 2 231.343 1.830 10 0 BDAELP Cc1cccc(N2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000184566453 384620385 /nfs/dbraw/zinc/62/03/85/384620385.db2.gz TYVOKRQTRNWQKM-GFCCVEGCSA-N 2 2 217.316 1.674 10 0 BDAELP Cc1cccc(N2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000184566453 384620390 /nfs/dbraw/zinc/62/03/90/384620390.db2.gz TYVOKRQTRNWQKM-GFCCVEGCSA-N 2 2 217.316 1.674 10 0 BDAELP COC[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779367 384720334 /nfs/dbraw/zinc/72/03/34/384720334.db2.gz NTYGPMWYHUHKJH-CHWSQXEVSA-N 2 2 249.358 1.850 10 0 BDAELP COC[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000173779367 384720341 /nfs/dbraw/zinc/72/03/41/384720341.db2.gz NTYGPMWYHUHKJH-CHWSQXEVSA-N 2 2 249.358 1.850 10 0 BDAELP [NH3+]C[C@H]([NH3+])Cc1ccc(Cl)c(F)c1F ZINC000044477385 384740085 /nfs/dbraw/zinc/74/00/85/384740085.db2.gz IBCFKDFFLJONHP-ZCFIWIBFSA-N 2 2 220.650 1.447 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(OC(F)(F)F)c(F)c1 ZINC000044473242 384741466 /nfs/dbraw/zinc/74/14/66/384741466.db2.gz LNEOOEDYRYWJCL-ZETCQYMHSA-N 2 2 238.184 1.683 10 0 BDAELP CC(C)c1nc(N[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000107201602 384779665 /nfs/dbraw/zinc/77/96/65/384779665.db2.gz BFXRERVMVKJOIV-VIFPVBQESA-N 2 2 206.293 1.374 10 0 BDAELP Cc1ccc(Cl)c([C@H]([NH3+])C[NH3+])c1F ZINC000072200607 384814389 /nfs/dbraw/zinc/81/43/89/384814389.db2.gz AJPZHCZKNBNFQU-SSDOTTSWSA-N 2 2 202.660 1.746 10 0 BDAELP Cc1ccc(Cl)c([C@@H]([NH3+])C[NH3+])c1F ZINC000072200608 384815174 /nfs/dbraw/zinc/81/51/74/384815174.db2.gz AJPZHCZKNBNFQU-ZETCQYMHSA-N 2 2 202.660 1.746 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])Cn2c(Br)c[nH+]c21 ZINC000156231354 384896002 /nfs/dbraw/zinc/89/60/02/384896002.db2.gz YYTZYVHNURYVOH-PHDIDXHHSA-N 2 2 230.109 1.480 10 0 BDAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CSC1(C)C ZINC000393857167 385892758 /nfs/dbraw/zinc/89/27/58/385892758.db2.gz VRGMOVKIZZLYNG-GMTAPVOTSA-N 2 2 244.404 1.237 10 0 BDAELP C[C@H]1CC[C@@](C[NH3+])([NH+]2CCC2)CS1 ZINC000575535527 385901308 /nfs/dbraw/zinc/90/13/08/385901308.db2.gz WYCBHQGQRKYWKJ-UWVGGRQHSA-N 2 2 200.351 1.305 10 0 BDAELP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000336752104 386012331 /nfs/dbraw/zinc/01/23/31/386012331.db2.gz FUMAWWCNPJZQSH-OUAUKWLOSA-N 2 2 214.353 1.197 10 0 BDAELP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC[NH+](C)C)C1(C)C ZINC000336752091 386012903 /nfs/dbraw/zinc/01/29/03/386012903.db2.gz FUMAWWCNPJZQSH-GARJFASQSA-N 2 2 214.353 1.197 10 0 BDAELP C[C@@H]1C[NH2+][C@@]2(CCC[NH2+]CC2)SC1 ZINC000575576870 386196245 /nfs/dbraw/zinc/19/62/45/386196245.db2.gz VYPXHASEMWSMNY-ZJUUUORDSA-N 2 2 200.351 1.429 10 0 BDAELP Cc1nc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)sc1C ZINC000415082508 386599317 /nfs/dbraw/zinc/59/93/17/386599317.db2.gz OMHULAOSKHUOSW-KOLCDFICSA-N 2 2 239.388 1.848 10 0 BDAELP CC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247384515 386711400 /nfs/dbraw/zinc/71/14/00/386711400.db2.gz PIGTWTSQBYTPTC-STQMWFEESA-N 2 2 249.358 1.586 10 0 BDAELP CC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247384515 386711407 /nfs/dbraw/zinc/71/14/07/386711407.db2.gz PIGTWTSQBYTPTC-STQMWFEESA-N 2 2 249.358 1.586 10 0 BDAELP C[NH2+][C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000053201503 387019815 /nfs/dbraw/zinc/01/98/15/387019815.db2.gz XYJOZXAYBIBOIM-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@H]1CCC[N@H+]([C@@H]2CCSC2)C1 ZINC000053201503 387019819 /nfs/dbraw/zinc/01/98/19/387019819.db2.gz XYJOZXAYBIBOIM-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000334983327 387070319 /nfs/dbraw/zinc/07/03/19/387070319.db2.gz HTABOPGIVABDQJ-NEPJUHHUSA-N 2 2 236.363 1.646 10 0 BDAELP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]2C[NH3+])CS1 ZINC000575514061 387387217 /nfs/dbraw/zinc/38/72/17/387387217.db2.gz IQXHJDBYPGVOKN-OPRDCNLKSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]2C[NH3+])CS1 ZINC000575514061 387387222 /nfs/dbraw/zinc/38/72/22/387387222.db2.gz IQXHJDBYPGVOKN-OPRDCNLKSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H](C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)[NH+](C)C ZINC000082944219 387392814 /nfs/dbraw/zinc/39/28/14/387392814.db2.gz JOJXIZGFYNPMLN-BJDJZHNGSA-N 2 2 226.364 1.340 10 0 BDAELP CC[NH+](CC)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085629296 388093223 /nfs/dbraw/zinc/09/32/23/388093223.db2.gz IJAGRXAFWBMFSS-XQQFMLRXSA-N 2 2 240.391 1.731 10 0 BDAELP O[C@@H](C[NH2+]Cc1ccco1)C[NH+]1CCCCC1 ZINC000195422441 388163728 /nfs/dbraw/zinc/16/37/28/388163728.db2.gz NAXYQPKFLXWCOB-LBPRGKRZSA-N 2 2 238.331 1.216 10 0 BDAELP C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000296086032 388416563 /nfs/dbraw/zinc/41/65/63/388416563.db2.gz HFRPVTYXOKVUDI-NEPJUHHUSA-N 2 2 223.320 1.118 10 0 BDAELP C[C@@H]1[C@@H](O)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000296086032 388416566 /nfs/dbraw/zinc/41/65/66/388416566.db2.gz HFRPVTYXOKVUDI-NEPJUHHUSA-N 2 2 223.320 1.118 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC000222590296 388640278 /nfs/dbraw/zinc/64/02/78/388640278.db2.gz BVXZKPDHBYKVMT-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CCOC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC000222590296 388640279 /nfs/dbraw/zinc/64/02/79/388640279.db2.gz BVXZKPDHBYKVMT-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000250705347 388700735 /nfs/dbraw/zinc/70/07/35/388700735.db2.gz DTXKSRFYXPSZIY-ZYHUDNBSSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000250705347 388700740 /nfs/dbraw/zinc/70/07/40/388700740.db2.gz DTXKSRFYXPSZIY-ZYHUDNBSSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCCN(C)[C@H]1c1c[nH+]cn1C ZINC000250705347 388700742 /nfs/dbraw/zinc/70/07/42/388700742.db2.gz DTXKSRFYXPSZIY-ZYHUDNBSSA-N 2 2 222.336 1.022 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C[C@@H]1F ZINC000575458651 388800723 /nfs/dbraw/zinc/80/07/23/388800723.db2.gz KMNKVEKMMUFWDN-STQMWFEESA-N 2 2 222.307 1.818 10 0 BDAELP [NH3+]Cc1cc(N2CCSCC2)cc[nH+]1 ZINC000051396556 132360116 /nfs/dbraw/zinc/36/01/16/132360116.db2.gz RJFMVCHMCLFAPM-UHFFFAOYSA-N 2 2 209.318 1.094 10 0 BDAELP [NH3+]C1CCN(c2cn[nH+]c3ccccc32)CC1 ZINC000062202801 132387531 /nfs/dbraw/zinc/38/75/31/132387531.db2.gz SGTLORABMYPWRD-UHFFFAOYSA-N 2 2 228.299 1.557 10 0 BDAELP C1OCC1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000336038951 134060504 /nfs/dbraw/zinc/06/05/04/134060504.db2.gz HSYYASYAGJLIIF-UHFFFAOYSA-N 2 2 238.375 1.772 10 0 BDAELP c1cn(CCCN2CC[N@@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000182920134 134349634 /nfs/dbraw/zinc/34/96/34/134349634.db2.gz FNBJXDUATUOKJL-CQSZACIVSA-N 2 2 248.374 1.443 10 0 BDAELP c1cn(CCCN2CC[N@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000182920134 134349635 /nfs/dbraw/zinc/34/96/35/134349635.db2.gz FNBJXDUATUOKJL-CQSZACIVSA-N 2 2 248.374 1.443 10 0 BDAELP Cc1cc(N(C)CC[C@@H]([NH3+])C(C)C)nc[nH+]1 ZINC000227739421 134385789 /nfs/dbraw/zinc/38/57/89/134385789.db2.gz KRLUTCORIOFILQ-LLVKDONJSA-N 2 2 222.336 1.595 10 0 BDAELP CC(C)[NH2+]CCN1CCC(n2cc[nH+]c2)CC1 ZINC000191537545 134574703 /nfs/dbraw/zinc/57/47/03/134574703.db2.gz GNWTYIWZUDXHTO-UHFFFAOYSA-N 2 2 236.363 1.518 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248733583 135020092 /nfs/dbraw/zinc/02/00/92/135020092.db2.gz KDMIPZFMDVLLRD-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248733583 135020093 /nfs/dbraw/zinc/02/00/93/135020093.db2.gz KDMIPZFMDVLLRD-QWHCGFSZSA-N 2 2 226.364 1.485 10 0 BDAELP Cc1nc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)oc1C ZINC000261546257 135238232 /nfs/dbraw/zinc/23/82/32/135238232.db2.gz GTVJEFQFMSDVNB-NSHDSACASA-N 2 2 237.347 1.851 10 0 BDAELP Cc1nc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)oc1C ZINC000261546257 135238234 /nfs/dbraw/zinc/23/82/34/135238234.db2.gz GTVJEFQFMSDVNB-NSHDSACASA-N 2 2 237.347 1.851 10 0 BDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccsc1Cl ZINC000261547032 135239482 /nfs/dbraw/zinc/23/94/82/135239482.db2.gz LPWNTTKNAMTFCQ-IUCAKERBSA-N 2 2 246.763 1.071 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000262964297 135324735 /nfs/dbraw/zinc/32/47/35/135324735.db2.gz LAKYMPCIIAQXNP-KGLIPLIRSA-N 2 2 234.343 1.533 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000262964297 135324737 /nfs/dbraw/zinc/32/47/37/135324737.db2.gz LAKYMPCIIAQXNP-KGLIPLIRSA-N 2 2 234.343 1.533 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000334983329 135857572 /nfs/dbraw/zinc/85/75/72/135857572.db2.gz HTABOPGIVABDQJ-NWDGAFQWSA-N 2 2 236.363 1.646 10 0 BDAELP Cn1cncc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000179271524 397852187 /nfs/dbraw/zinc/85/21/87/397852187.db2.gz HTQWKNRDBUZMIG-GFCCVEGCSA-N 2 2 245.330 1.281 10 0 BDAELP Cc1cc(N2CCC[C@@H](C)[C@H]2C[NH3+])nc[nH+]1 ZINC000227201343 487612433 /nfs/dbraw/zinc/61/24/33/487612433.db2.gz LAMYQRZMKNZQQZ-MWLCHTKSSA-N 2 2 220.320 1.349 10 0 BDAELP CC[C@H]1CN(c2[nH+]cccc2OC)CC[C@@H]1[NH3+] ZINC000128480148 410763389 /nfs/dbraw/zinc/76/33/89/410763389.db2.gz FGXRXWLZZUQSJG-QWRGUYRKSA-N 2 2 235.331 1.654 10 0 BDAELP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000045650315 167025279 /nfs/dbraw/zinc/02/52/79/167025279.db2.gz JNDKTYFQSLKDKY-CPCZMJQVSA-N 2 2 226.364 1.362 10 0 BDAELP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000045650315 167025282 /nfs/dbraw/zinc/02/52/82/167025282.db2.gz JNDKTYFQSLKDKY-CPCZMJQVSA-N 2 2 226.364 1.362 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2[nH]cc[nH+]2)C1 ZINC000154073865 167028475 /nfs/dbraw/zinc/02/84/75/167028475.db2.gz SVQIYOXFMGFNIH-MNOVXSKESA-N 2 2 222.336 1.228 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NCc2[nH]cc[nH+]2)C1 ZINC000154073865 167028479 /nfs/dbraw/zinc/02/84/79/167028479.db2.gz SVQIYOXFMGFNIH-MNOVXSKESA-N 2 2 222.336 1.228 10 0 BDAELP CC(C)[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000082639664 167028619 /nfs/dbraw/zinc/02/86/19/167028619.db2.gz XCXKWOYEMFJWJR-ZDUSSCGKSA-N 2 2 204.317 1.953 10 0 BDAELP CC(C)[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000082639664 167028621 /nfs/dbraw/zinc/02/86/21/167028621.db2.gz XCXKWOYEMFJWJR-ZDUSSCGKSA-N 2 2 204.317 1.953 10 0 BDAELP CC(C)[NH2+]C[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC000053034444 167115566 /nfs/dbraw/zinc/11/55/66/167115566.db2.gz PLSDCXCCKAXUHG-GFCCVEGCSA-N 2 2 236.363 1.240 10 0 BDAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC000053034444 167115568 /nfs/dbraw/zinc/11/55/68/167115568.db2.gz PLSDCXCCKAXUHG-GFCCVEGCSA-N 2 2 236.363 1.240 10 0 BDAELP CC[NH+](CC)c1ccc(NC(=[NH2+])NC(N)=[NH2+])cc1 ZINC000000554905 169804235 /nfs/dbraw/zinc/80/42/35/169804235.db2.gz ACYNQSZKWXOVTQ-UHFFFAOYSA-N 3 2 248.334 1.363 10 0 BDAELP CC(C)(C)[N@@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616657976 411240675 /nfs/dbraw/zinc/24/06/75/411240675.db2.gz ABAKGDSWIIFVKR-GFCCVEGCSA-N 2 2 249.358 1.878 10 0 BDAELP CC(C)(C)[N@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616657976 411240679 /nfs/dbraw/zinc/24/06/79/411240679.db2.gz ABAKGDSWIIFVKR-GFCCVEGCSA-N 2 2 249.358 1.878 10 0 BDAELP CC[C@H]1CN(c2cccc[nH+]2)CC[C@@H]1[NH3+] ZINC000122960872 411436986 /nfs/dbraw/zinc/43/69/86/411436986.db2.gz RWJJIOSJBZUGMA-QWRGUYRKSA-N 2 2 205.305 1.645 10 0 BDAELP CC(C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292124 411453406 /nfs/dbraw/zinc/45/34/06/411453406.db2.gz DMIZMNBPRJTTMW-JTQLQIEISA-N 2 2 207.321 1.963 10 0 BDAELP OC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657371633 411485042 /nfs/dbraw/zinc/48/50/42/411485042.db2.gz XSYLNRWIZZCOOO-YPMHNXCESA-N 2 2 249.358 1.470 10 0 BDAELP C[C@@H]1OCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657422336 411502593 /nfs/dbraw/zinc/50/25/93/411502593.db2.gz WDLONJOKVIJASD-ONGXEEELSA-N 2 2 221.304 1.096 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657422334 411503068 /nfs/dbraw/zinc/50/30/68/411503068.db2.gz WDLONJOKVIJASD-MWLCHTKSSA-N 2 2 221.304 1.096 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CC)C2)CO1 ZINC000657324519 411464954 /nfs/dbraw/zinc/46/49/54/411464954.db2.gz CFYCEUBLATVPTF-JHJVBQTASA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CC)C2)CO1 ZINC000657324519 411464956 /nfs/dbraw/zinc/46/49/56/411464956.db2.gz CFYCEUBLATVPTF-JHJVBQTASA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCOC)C1 ZINC000328143534 170013680 /nfs/dbraw/zinc/01/36/80/170013680.db2.gz BQHMZBXOKAXUOB-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCOC)C1 ZINC000328143534 170013681 /nfs/dbraw/zinc/01/36/81/170013681.db2.gz BQHMZBXOKAXUOB-GHMZBOCLSA-N 2 2 200.326 1.095 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000328352587 170014025 /nfs/dbraw/zinc/01/40/25/170014025.db2.gz NVUWBKPBBKDLBR-DGCLKSJQSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCOCC2)C1 ZINC000328352587 170014027 /nfs/dbraw/zinc/01/40/27/170014027.db2.gz NVUWBKPBBKDLBR-DGCLKSJQSA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000328337772 170022327 /nfs/dbraw/zinc/02/23/27/170022327.db2.gz JTONUJVNDFGAKW-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000328337772 170022328 /nfs/dbraw/zinc/02/23/28/170022328.db2.gz JTONUJVNDFGAKW-GRYCIOLGSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCSC2)[C@@H](C)C1 ZINC000336769309 170037338 /nfs/dbraw/zinc/03/73/38/170037338.db2.gz USYBSEHLQDEFFB-TUAOUCFPSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCSC2)[C@@H](C)C1 ZINC000336769309 170037340 /nfs/dbraw/zinc/03/73/40/170037340.db2.gz USYBSEHLQDEFFB-TUAOUCFPSA-N 2 2 228.405 1.812 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC)C2)CO1 ZINC000657495657 411535570 /nfs/dbraw/zinc/53/55/70/411535570.db2.gz KOHIGHHOSBJDGG-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP CC[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC)C2)CO1 ZINC000657495657 411535572 /nfs/dbraw/zinc/53/55/72/411535572.db2.gz KOHIGHHOSBJDGG-SDDRHHMPSA-N 2 2 212.337 1.238 10 0 BDAELP CC[NH2+]C1(c2nccs2)CC[NH2+]CC1 ZINC000041060997 170108551 /nfs/dbraw/zinc/10/85/51/170108551.db2.gz IUBLYDRWSDLDNM-UHFFFAOYSA-N 2 2 211.334 1.331 10 0 BDAELP CC[NH2+]CC1(C[N@@H+]2CCO[C@H](C)C2)CCCC1 ZINC000051210495 170110852 /nfs/dbraw/zinc/11/08/52/170110852.db2.gz JHNUKKTVARPNCO-CYBMUJFWSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]CC1(C[N@H+]2CCO[C@H](C)C2)CCCC1 ZINC000051210495 170110854 /nfs/dbraw/zinc/11/08/54/170110854.db2.gz JHNUKKTVARPNCO-CYBMUJFWSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]Cc1nc2c(s1)C[N@H+](C)CC2 ZINC000053294223 170131489 /nfs/dbraw/zinc/13/14/89/170131489.db2.gz HEKGMPLYFROJAM-UHFFFAOYSA-N 2 2 211.334 1.241 10 0 BDAELP CC[NH2+]Cc1nc2c(s1)C[N@@H+](C)CC2 ZINC000053294223 170131490 /nfs/dbraw/zinc/13/14/90/170131490.db2.gz HEKGMPLYFROJAM-UHFFFAOYSA-N 2 2 211.334 1.241 10 0 BDAELP CC[NH2+][C@@H](C)[C@H](C)N1CCn2cc[nH+]c2C1 ZINC000062250459 170141405 /nfs/dbraw/zinc/14/14/05/170141405.db2.gz QPJMCYVOZGXOFE-QWRGUYRKSA-N 2 2 222.336 1.085 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000060720691 170166201 /nfs/dbraw/zinc/16/62/01/170166201.db2.gz OYPXHFVSDOOYBK-OLZOCXBDSA-N 2 2 226.364 1.487 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC000049714254 170168268 /nfs/dbraw/zinc/16/82/68/170168268.db2.gz FOTPOAGFLFXOAC-IHRRRGAJSA-N 3 2 241.423 1.647 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+]([C@@H](C)CC[NH+](C)C)C[C@@H]1C ZINC000049714254 170168269 /nfs/dbraw/zinc/16/82/69/170168269.db2.gz FOTPOAGFLFXOAC-IHRRRGAJSA-N 3 2 241.423 1.647 10 0 BDAELP CCOC(=O)[C@@H](CCn1cc[nH+]c1)[NH2+]C(C)C ZINC000062534955 170251465 /nfs/dbraw/zinc/25/14/65/170251465.db2.gz VZDRRWCTFUCPPJ-LLVKDONJSA-N 2 2 239.319 1.203 10 0 BDAELP CCOC(=O)[C@H](CCn1cc[nH+]c1)[NH2+]C(C)C ZINC000062534958 170273426 /nfs/dbraw/zinc/27/34/26/170273426.db2.gz VZDRRWCTFUCPPJ-NSHDSACASA-N 2 2 239.319 1.203 10 0 BDAELP CCOCC[N@H+](CC)CC[NH2+]C(C)C ZINC000042387168 170395414 /nfs/dbraw/zinc/39/54/14/170395414.db2.gz VGWOXRZXAKVCTI-UHFFFAOYSA-N 2 2 202.342 1.343 10 0 BDAELP CCOCC[N@@H+](CC)CC[NH2+]C(C)C ZINC000042387168 170395416 /nfs/dbraw/zinc/39/54/16/170395416.db2.gz VGWOXRZXAKVCTI-UHFFFAOYSA-N 2 2 202.342 1.343 10 0 BDAELP CC[N@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616653866 411854740 /nfs/dbraw/zinc/85/47/40/411854740.db2.gz WXSVFRCTQXLVIX-LLVKDONJSA-N 2 2 221.304 1.447 10 0 BDAELP CC[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000049665925 171008944 /nfs/dbraw/zinc/00/89/44/171008944.db2.gz ZVKOZKPERRHMFF-CYBMUJFWSA-N 3 2 239.407 1.545 10 0 BDAELP CC[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000049665925 171008946 /nfs/dbraw/zinc/00/89/46/171008946.db2.gz ZVKOZKPERRHMFF-CYBMUJFWSA-N 3 2 239.407 1.545 10 0 BDAELP CC[C@@H]1C[NH2+][C@H](C)CN1C1=[NH+]CCS1 ZINC000083347598 171101102 /nfs/dbraw/zinc/10/11/02/171101102.db2.gz PNNZHRZPGNZLTL-RKDXNWHRSA-N 2 2 213.350 1.162 10 0 BDAELP CC[C@@H]1C[NH2+]CCN1Cc1cn2ccccc2[nH+]1 ZINC000104139545 171101447 /nfs/dbraw/zinc/10/14/47/171101447.db2.gz RLRQKISDBMNHIB-CYBMUJFWSA-N 2 2 244.342 1.518 10 0 BDAELP CC[C@@](C)(C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232264 171167348 /nfs/dbraw/zinc/16/73/48/171167348.db2.gz KIPWOWGZWWUZNW-NSHDSACASA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@@](C)(C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232264 171167349 /nfs/dbraw/zinc/16/73/49/171167349.db2.gz KIPWOWGZWWUZNW-NSHDSACASA-N 2 2 200.326 1.225 10 0 BDAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccncc1 ZINC000076584320 171313369 /nfs/dbraw/zinc/31/33/69/171313369.db2.gz HUNZSJKHKHDLOC-NSHDSACASA-N 2 2 207.321 1.641 10 0 BDAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccncc1 ZINC000076584320 171313372 /nfs/dbraw/zinc/31/33/72/171313372.db2.gz HUNZSJKHKHDLOC-NSHDSACASA-N 2 2 207.321 1.641 10 0 BDAELP C[C@@H]([NH2+][C@@H](C)c1cscn1)[C@@H]1CC[NH2+]C1 ZINC000665241087 412182468 /nfs/dbraw/zinc/18/24/68/412182468.db2.gz ZMMWVXRLZZCNNO-KXUCPTDWSA-N 2 2 225.361 1.792 10 0 BDAELP C[C@@H]1C[N@H+](CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000306635830 487623793 /nfs/dbraw/zinc/62/37/93/487623793.db2.gz ALVPRXZEJRPGFM-OCCSQVGLSA-N 2 2 234.343 1.482 10 0 BDAELP C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@@H]1[NH3+] ZINC000306635830 487623799 /nfs/dbraw/zinc/62/37/99/487623799.db2.gz ALVPRXZEJRPGFM-OCCSQVGLSA-N 2 2 234.343 1.482 10 0 BDAELP CCc1nc(NCCCC[NH3+])c2c([nH+]1)CCC2 ZINC000057328886 172009279 /nfs/dbraw/zinc/00/92/79/172009279.db2.gz WWXRJTUSSAUKHC-UHFFFAOYSA-N 2 2 234.347 1.679 10 0 BDAELP CCn1cc(Cn2cc[nH+]c2C[C@H](C)[NH3+])cn1 ZINC000062802898 172178512 /nfs/dbraw/zinc/17/85/12/172178512.db2.gz SJADIYXNNDHYLA-JTQLQIEISA-N 2 2 233.319 1.038 10 0 BDAELP CN(CCCn1cc[nH+]c1)c1cc[nH+]cc1N ZINC000049328444 172722887 /nfs/dbraw/zinc/72/28/87/172722887.db2.gz AYBXQFFTLIFPCU-UHFFFAOYSA-N 2 2 231.303 1.387 10 0 BDAELP CN(c1[nH]c2ccccc2[nH+]1)C1CC[NH2+]CC1 ZINC000095070663 172952683 /nfs/dbraw/zinc/95/26/83/172952683.db2.gz NCOKCXDCJZVYRD-UHFFFAOYSA-N 2 2 230.315 1.751 10 0 BDAELP C[N@@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)C1 ZINC000040715739 173020883 /nfs/dbraw/zinc/02/08/83/173020883.db2.gz KRLFFUVRCAMURN-SNVBAGLBSA-N 2 2 206.293 1.170 10 0 BDAELP C[N@H+]1CCC[C@@H](Nc2ccc(N)[nH+]c2)C1 ZINC000040715739 173020885 /nfs/dbraw/zinc/02/08/85/173020885.db2.gz KRLFFUVRCAMURN-SNVBAGLBSA-N 2 2 206.293 1.170 10 0 BDAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655382 173115108 /nfs/dbraw/zinc/11/51/08/173115108.db2.gz GKKGERROKQJLLH-VIFPVBQESA-N 2 2 228.723 1.974 10 0 BDAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000037655382 173115109 /nfs/dbraw/zinc/11/51/09/173115109.db2.gz GKKGERROKQJLLH-VIFPVBQESA-N 2 2 228.723 1.974 10 0 BDAELP C[NH+](C)c1ccc(N[C@@H]2CC[N@H+](C)C2)cc1 ZINC000061984994 173126664 /nfs/dbraw/zinc/12/66/64/173126664.db2.gz QMHYHAQMNWMDRC-GFCCVEGCSA-N 2 2 219.332 1.869 10 0 BDAELP C[NH+](C)c1ccc(N[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000061984994 173126665 /nfs/dbraw/zinc/12/66/65/173126665.db2.gz QMHYHAQMNWMDRC-GFCCVEGCSA-N 2 2 219.332 1.869 10 0 BDAELP C[NH2+]C[C@@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000071544651 173371797 /nfs/dbraw/zinc/37/17/97/173371797.db2.gz JRKBBPJSEVLWAB-CQSZACIVSA-N 2 2 234.343 1.149 10 0 BDAELP C[NH2+]C[C@@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000071544651 173371799 /nfs/dbraw/zinc/37/17/99/173371799.db2.gz JRKBBPJSEVLWAB-CQSZACIVSA-N 2 2 234.343 1.149 10 0 BDAELP C[NH2+]Cc1c(C)cc(C)nc1-n1cc[nH+]c1 ZINC000051490089 173383924 /nfs/dbraw/zinc/38/39/24/173383924.db2.gz PAPJBQMTNLQQNU-UHFFFAOYSA-N 2 2 216.288 1.604 10 0 BDAELP C[NH2+]Cc1c[nH+]c(Cc2cc(F)cc(F)c2)[nH]1 ZINC000062820871 173385132 /nfs/dbraw/zinc/38/51/32/173385132.db2.gz SUHAXLFYLUGSKL-UHFFFAOYSA-N 2 2 237.253 1.998 10 0 BDAELP COC1CC[NH+]([C@H](C[NH3+])c2ccccc2)CC1 ZINC000037265794 174030520 /nfs/dbraw/zinc/03/05/20/174030520.db2.gz XREXUOHJXINYTI-CQSZACIVSA-N 2 2 234.343 1.797 10 0 BDAELP COC1CC[NH+]([C@H](C[NH3+])c2cccs2)CC1 ZINC000037266008 174030541 /nfs/dbraw/zinc/03/05/41/174030541.db2.gz AMMKDUIFJKJLBN-LLVKDONJSA-N 2 2 240.372 1.859 10 0 BDAELP COCCC[N@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000062029454 174220549 /nfs/dbraw/zinc/22/05/49/174220549.db2.gz AYNSQOMAZKLVNC-ZDUSSCGKSA-N 2 2 240.322 1.794 10 0 BDAELP COCCC[N@@H+](C)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000062029454 174220550 /nfs/dbraw/zinc/22/05/50/174220550.db2.gz AYNSQOMAZKLVNC-ZDUSSCGKSA-N 2 2 240.322 1.794 10 0 BDAELP COCC[N@H+](C)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042458964 174282532 /nfs/dbraw/zinc/28/25/32/174282532.db2.gz KJNXCCUNWSAUTK-OLZOCXBDSA-N 2 2 220.316 1.189 10 0 BDAELP COCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000042458964 174282533 /nfs/dbraw/zinc/28/25/33/174282533.db2.gz KJNXCCUNWSAUTK-OLZOCXBDSA-N 2 2 220.316 1.189 10 0 BDAELP COCC[N@H+](C)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043036267 174284160 /nfs/dbraw/zinc/28/41/60/174284160.db2.gz JWHGSKWGCFKLHL-OCCSQVGLSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000043036267 174284162 /nfs/dbraw/zinc/28/41/62/174284162.db2.gz JWHGSKWGCFKLHL-OCCSQVGLSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+](C)[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042909052 174284300 /nfs/dbraw/zinc/28/43/00/174284300.db2.gz XKPMODRQQCTNOT-OCCSQVGLSA-N 2 2 236.359 1.962 10 0 BDAELP 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1.463 10 0 BDAELP CC(C)[N@H+]1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249242991 535265804 /nfs/dbraw/zinc/26/58/04/535265804.db2.gz DIANSCLMPCDHTI-CRWXNKLISA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@H]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249242991 535265806 /nfs/dbraw/zinc/26/58/06/535265806.db2.gz DIANSCLMPCDHTI-CRWXNKLISA-N 2 2 240.391 1.730 10 0 BDAELP CC[NH2+]C1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000040726714 535451295 /nfs/dbraw/zinc/45/12/95/535451295.db2.gz YNFCICNUJYYRHF-UHFFFAOYSA-N 2 2 220.320 1.363 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC000248713424 536174303 /nfs/dbraw/zinc/17/43/03/536174303.db2.gz DIHDSBNJRMSJBD-NWDGAFQWSA-N 2 2 237.347 1.463 10 0 BDAELP Cn1ccnc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000097020583 537908435 /nfs/dbraw/zinc/90/84/35/537908435.db2.gz QEFWNSJNDFQOCO-LBPRGKRZSA-N 2 2 245.330 1.281 10 0 BDAELP Cn1ccnc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000097020583 537908444 /nfs/dbraw/zinc/90/84/44/537908444.db2.gz 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ZINC000757218534 582562922 /nfs/dbraw/zinc/56/29/22/582562922.db2.gz VQYPNSVNZLEOLW-CUOATXAZSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccco1 ZINC000399202641 583171910 /nfs/dbraw/zinc/17/19/10/583171910.db2.gz UNNAOBLIZIZCLX-NSHDSACASA-N 2 2 238.331 1.387 10 0 BDAELP CC(=O)c1ccc([C@H]2[NH2+]CCC[C@H]2[NH3+])cc1 ZINC000757211000 586437538 /nfs/dbraw/zinc/43/75/38/586437538.db2.gz FFSUSPLQSQMTOG-CHWSQXEVSA-N 2 2 218.300 1.641 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2ccc(C=O)s2)[C@@H]1[NH3+] ZINC000757207204 586437747 /nfs/dbraw/zinc/43/77/47/586437747.db2.gz BHDRYEKVERJLIK-AVPPRXQKSA-N 2 2 224.329 1.558 10 0 BDAELP [NH3+][C@@H]1CCC[NH2+][C@H]1c1ccc(C=O)s1 ZINC000757213032 586439180 /nfs/dbraw/zinc/43/91/80/586439180.db2.gz KSXGGGSFEFLJLI-PSASIEDQSA-N 2 2 210.302 1.312 10 0 BDAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1ccc(C=O)s1 ZINC000757213071 586439543 /nfs/dbraw/zinc/43/95/43/586439543.db2.gz KSXGGGSFEFLJLI-WCBMZHEXSA-N 2 2 210.302 1.312 10 0 BDAELP C[C@@H]1C[C@H](c2cccc(C=O)c2)[NH2+]C[C@@H]1[NH3+] ZINC000757217190 586441437 /nfs/dbraw/zinc/44/14/37/586441437.db2.gz RIFOAGZGZQTXEI-JIMOISOXSA-N 2 2 218.300 1.497 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H](c2cccc(C[NH3+])c2)[C@@H]1[NH3+] ZINC000757220255 586442116 /nfs/dbraw/zinc/44/21/16/586442116.db2.gz XPNMWCXEYJNJLV-WQAKAFBOSA-N 3 2 219.332 1.143 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+][C@H](C)CC[C@@H]1[NH3+] ZINC000757228367 586442652 /nfs/dbraw/zinc/44/26/52/586442652.db2.gz CJNJHUYNNJOXHA-ICCXJUOJSA-N 2 2 219.332 1.718 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])C[NH2+][C@H]1c1cnn(C(C)(C)C)c1 ZINC000757229327 586442858 /nfs/dbraw/zinc/44/28/58/586442858.db2.gz DPEMLNDRVLDJIO-YUSALJHKSA-N 2 2 236.363 1.636 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+]C[C@H](C)C[C@H]1[NH3+] ZINC000757239275 586444204 /nfs/dbraw/zinc/44/42/04/586444204.db2.gz TYJODZGDBZHUEM-WQHBLYJGSA-N 2 2 219.332 1.575 10 0 BDAELP CC[N@@H+]1CCC[C@@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000130906394 632450283 /nfs/dbraw/zinc/45/02/83/632450283.db2.gz ZJSJYFTZJMJWMK-SNVBAGLBSA-N 2 2 235.335 1.415 10 0 BDAELP CC[N@H+]1CCC[C@@H](Nc2cc(NC)[nH+]cn2)C1 ZINC000130906394 632450287 /nfs/dbraw/zinc/45/02/87/632450287.db2.gz ZJSJYFTZJMJWMK-SNVBAGLBSA-N 2 2 235.335 1.415 10 0 BDAELP Cc1nc(NC[C@@H]2CC[C@H]([NH3+])C2)cc[nH+]1 ZINC000227644571 640843353 /nfs/dbraw/zinc/84/33/53/640843353.db2.gz IZMNWFXTNNPVGD-ZJUUUORDSA-N 2 2 206.293 1.324 10 0 BDAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000071190950 643106750 /nfs/dbraw/zinc/10/67/50/643106750.db2.gz ZKNMXJOIOLOPBS-KGLIPLIRSA-N 3 2 239.407 1.260 10 0 BDAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000071190950 643106754 /nfs/dbraw/zinc/10/67/54/643106754.db2.gz ZKNMXJOIOLOPBS-KGLIPLIRSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000071190950 643106757 /nfs/dbraw/zinc/10/67/57/643106757.db2.gz ZKNMXJOIOLOPBS-KGLIPLIRSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000071190950 643106761 /nfs/dbraw/zinc/10/67/61/643106761.db2.gz ZKNMXJOIOLOPBS-KGLIPLIRSA-N 3 2 239.407 1.260 10 0 BDAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1(O)CCC1 ZINC000717439917 711490773 /nfs/dbraw/zinc/49/07/73/711490773.db2.gz IBVOCMHLDFDDNE-NWDGAFQWSA-N 2 2 224.348 1.070 10 0 BDAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1(O)CCC1 ZINC000717439917 711490775 /nfs/dbraw/zinc/49/07/75/711490775.db2.gz IBVOCMHLDFDDNE-NWDGAFQWSA-N 2 2 224.348 1.070 10 0 BDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1(O)CCC1 ZINC000717439917 711490778 /nfs/dbraw/zinc/49/07/78/711490778.db2.gz IBVOCMHLDFDDNE-NWDGAFQWSA-N 2 2 224.348 1.070 10 0 BDAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1(O)CCC1 ZINC000717439917 711490780 /nfs/dbraw/zinc/49/07/80/711490780.db2.gz IBVOCMHLDFDDNE-NWDGAFQWSA-N 2 2 224.348 1.070 10 0 BDAELP Cc1nc(N2CCC(C(C)(C)C[NH3+])CC2)cc[nH+]1 ZINC000714486004 712491973 /nfs/dbraw/zinc/49/19/73/712491973.db2.gz LYKFYFNTLKXJRC-UHFFFAOYSA-N 2 2 248.374 1.986 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788255 712865370 /nfs/dbraw/zinc/86/53/70/712865370.db2.gz IUZIJSBIPIDZJG-VOAKCMCISA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720788255 712865371 /nfs/dbraw/zinc/86/53/71/712865371.db2.gz IUZIJSBIPIDZJG-VOAKCMCISA-N 2 2 224.348 1.367 10 0 BDAELP Cc1cc(N2C[C@@H]3C[NH2+][C@@H]3C2)c[nH+]c1C ZINC000028866030 178121106 /nfs/dbraw/zinc/12/11/06/178121106.db2.gz QEYUSQRGGVRBMY-CMPLNLGQSA-N 2 2 203.289 1.106 10 0 BDAELP CNc1ccc([C@H]2CC[N@H+](CC[NH3+])C2)cc1 ZINC000616612708 349578668 /nfs/dbraw/zinc/57/86/68/349578668.db2.gz QZWNXGGRJDNNAY-LBPRGKRZSA-N 2 2 219.332 1.476 10 0 BDAELP CNc1ccc([C@H]2CC[N@@H+](CC[NH3+])C2)cc1 ZINC000616612708 349578672 /nfs/dbraw/zinc/57/86/72/349578672.db2.gz QZWNXGGRJDNNAY-LBPRGKRZSA-N 2 2 219.332 1.476 10 0 BDAELP C[C@H]1CC[N@H+](CCC(F)(F)F)C[C@@H]1[NH3+] ZINC000070914858 361880121 /nfs/dbraw/zinc/88/01/21/361880121.db2.gz DGVHSYBDKAQLFC-YUMQZZPRSA-N 2 2 210.243 1.608 10 0 BDAELP C[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1[NH3+] ZINC000070914858 361880127 /nfs/dbraw/zinc/88/01/27/361880127.db2.gz DGVHSYBDKAQLFC-YUMQZZPRSA-N 2 2 210.243 1.608 10 0 BDAELP Cc1n[nH]cc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000185223800 538970405 /nfs/dbraw/zinc/97/04/05/538970405.db2.gz BTVFETGANIYEAW-ZDUSSCGKSA-N 2 2 245.330 1.579 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000336652481 346864408 /nfs/dbraw/zinc/86/44/08/346864408.db2.gz IKSUCLIZZSFNFG-AGIUHOORSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000336652481 346864413 /nfs/dbraw/zinc/86/44/13/346864413.db2.gz IKSUCLIZZSFNFG-AGIUHOORSA-N 2 2 226.364 1.628 10 0 BDAELP [NH3+]C1CC[NH+](CC(=O)C2CCCC2)CC1 ZINC000164986676 342863077 /nfs/dbraw/zinc/86/30/77/342863077.db2.gz OEDIFQCRWYSSIY-UHFFFAOYSA-N 2 2 210.321 1.169 10 0 BDAELP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1noc(C[NH3+])n1 ZINC000300804967 259328108 /nfs/dbraw/zinc/32/81/08/259328108.db2.gz BGTAWNSRWREEDW-DTWKUNHWSA-N 2 2 224.308 1.291 10 0 BDAELP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1noc(C[NH3+])n1 ZINC000300804967 259328110 /nfs/dbraw/zinc/32/81/10/259328110.db2.gz BGTAWNSRWREEDW-DTWKUNHWSA-N 2 2 224.308 1.291 10 0 BDAELP C(C[NH+]1CCCC1)C[N@@H+]1CCOCC12CCC2 ZINC000162619805 349753415 /nfs/dbraw/zinc/75/34/15/349753415.db2.gz OVAOQHSGIJXWSO-UHFFFAOYSA-N 2 2 238.375 1.727 10 0 BDAELP C(C[NH+]1CCCC1)C[N@H+]1CCOCC12CCC2 ZINC000162619805 349753417 /nfs/dbraw/zinc/75/34/17/349753417.db2.gz OVAOQHSGIJXWSO-UHFFFAOYSA-N 2 2 238.375 1.727 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000072200596 343068892 /nfs/dbraw/zinc/06/88/92/343068892.db2.gz CNYKADRZSFKWSN-NSHDSACASA-N 2 2 202.257 1.504 10 0 BDAELP C[NH+]1CCC(Oc2cc(N)cc[nH+]2)CC1 ZINC000043569643 343477706 /nfs/dbraw/zinc/47/77/06/343477706.db2.gz QZAFLGODJMSZDR-UHFFFAOYSA-N 2 2 207.277 1.137 10 0 BDAELP [NH3+]C[C@@H]1CCCn2c3c([nH+]c21)CCCC3 ZINC000409440489 343852323 /nfs/dbraw/zinc/85/23/23/343852323.db2.gz LGYIBSMOPPOWFC-VIFPVBQESA-N 2 2 205.305 1.598 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226858217 534958129 /nfs/dbraw/zinc/95/81/29/534958129.db2.gz LQVMPVBVAUSMQA-STQMWFEESA-N 2 2 226.364 1.439 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226858217 534958134 /nfs/dbraw/zinc/95/81/34/534958134.db2.gz LQVMPVBVAUSMQA-STQMWFEESA-N 2 2 226.364 1.439 10 0 BDAELP C(C[NH+]1CCCC1)C[N@@H+]1CCOC2(CCC2)C1 ZINC000154360022 345027769 /nfs/dbraw/zinc/02/77/69/345027769.db2.gz QUVXZTCQFBZGRT-UHFFFAOYSA-N 2 2 238.375 1.727 10 0 BDAELP C(C[NH+]1CCCC1)C[N@H+]1CCOC2(CCC2)C1 ZINC000154360022 345027774 /nfs/dbraw/zinc/02/77/74/345027774.db2.gz QUVXZTCQFBZGRT-UHFFFAOYSA-N 2 2 238.375 1.727 10 0 BDAELP COc1ccc(Br)c([C@H]([NH3+])C[NH3+])c1 ZINC000044470275 345085708 /nfs/dbraw/zinc/08/57/08/345085708.db2.gz UALNOARXEQNUOL-SECBINFHSA-N 2 2 245.120 1.416 10 0 BDAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(F)F ZINC000148080557 345240116 /nfs/dbraw/zinc/24/01/16/345240116.db2.gz YAAZYEBHDRDTOA-CBLAIPOGSA-N 2 2 204.264 1.596 10 0 BDAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(F)F ZINC000148080557 345240118 /nfs/dbraw/zinc/24/01/18/345240118.db2.gz YAAZYEBHDRDTOA-CBLAIPOGSA-N 2 2 204.264 1.596 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998459 345198352 /nfs/dbraw/zinc/19/83/52/345198352.db2.gz FZBFDZLBJQDTSG-VHSXEESVSA-N 2 2 239.388 1.732 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998459 345198354 /nfs/dbraw/zinc/19/83/54/345198354.db2.gz FZBFDZLBJQDTSG-VHSXEESVSA-N 2 2 239.388 1.732 10 0 BDAELP C[C@@H](c1cnccn1)[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000253612742 345692938 /nfs/dbraw/zinc/69/29/38/345692938.db2.gz IXNUMGCTEHUPGX-QWRGUYRKSA-N 2 2 220.320 1.079 10 0 BDAELP C[C@@H](c1cnccn1)[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000253612742 345692939 /nfs/dbraw/zinc/69/29/39/345692939.db2.gz IXNUMGCTEHUPGX-QWRGUYRKSA-N 2 2 220.320 1.079 10 0 BDAELP CCNc1cc(N2CCCC[C@@H]2C[NH3+])nc[nH+]1 ZINC000258698164 345782714 /nfs/dbraw/zinc/78/27/14/345782714.db2.gz KGEWZLLTBBKJPF-SNVBAGLBSA-N 2 2 235.335 1.226 10 0 BDAELP Cc1[nH]c(C[NH2+]Cc2cccc(C)n2)c[nH+]1 ZINC000054822588 179094450 /nfs/dbraw/zinc/09/44/50/179094450.db2.gz HGFNTUHSSWBELP-UHFFFAOYSA-N 2 2 216.288 1.711 10 0 BDAELP C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000164400363 346602922 /nfs/dbraw/zinc/60/29/22/346602922.db2.gz MPMNLNHDIACNPG-YPMHNXCESA-N 2 2 204.317 1.726 10 0 BDAELP C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000164400363 346602924 /nfs/dbraw/zinc/60/29/24/346602924.db2.gz MPMNLNHDIACNPG-YPMHNXCESA-N 2 2 204.317 1.726 10 0 BDAELP Cc1cccc(N[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000040673497 179155509 /nfs/dbraw/zinc/15/55/09/179155509.db2.gz ZCJAFBUHOLQBOL-LLVKDONJSA-N 2 2 205.305 1.896 10 0 BDAELP Cc1cccc(N[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000040673497 179155511 /nfs/dbraw/zinc/15/55/11/179155511.db2.gz ZCJAFBUHOLQBOL-LLVKDONJSA-N 2 2 205.305 1.896 10 0 BDAELP C1C[C@H]([N@@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)CS1 ZINC000299893451 347150908 /nfs/dbraw/zinc/15/09/08/347150908.db2.gz LJIXFYUVSQOBFD-OUAUKWLOSA-N 2 2 212.362 1.176 10 0 BDAELP C1C[C@H]([N@H+]2CCC[C@@H]3C[NH2+]C[C@H]32)CS1 ZINC000299893451 347150911 /nfs/dbraw/zinc/15/09/11/347150911.db2.gz LJIXFYUVSQOBFD-OUAUKWLOSA-N 2 2 212.362 1.176 10 0 BDAELP Cc1cccc([C@@H]([NH3+])C[NH3+])c1Br ZINC000072201222 179184913 /nfs/dbraw/zinc/18/49/13/179184913.db2.gz CKVUQQTVFYCJHJ-QMMMGPOBSA-N 2 2 229.121 1.716 10 0 BDAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[NH+]2CCC(O)CC2)c1 ZINC000042965535 179203381 /nfs/dbraw/zinc/20/33/81/179203381.db2.gz ULPGOYGYUWCLID-DOMZBBRYSA-N 2 2 248.370 1.840 10 0 BDAELP C[C@@H](C[NH2+]CC[NH+](C)C)c1ccccc1 ZINC000020083525 347406534 /nfs/dbraw/zinc/40/65/34/347406534.db2.gz KCMZESDPERHUMC-LBPRGKRZSA-N 2 2 206.333 1.941 10 0 BDAELP Cc1cccc2c1[nH+]cn2CC1=[NH+]CCN1 ZINC000073198092 179225270 /nfs/dbraw/zinc/22/52/70/179225270.db2.gz DZHVMYHLRMNWSH-UHFFFAOYSA-N 2 2 214.272 1.346 10 0 BDAELP Cc1ccccc1CC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000057939515 179262929 /nfs/dbraw/zinc/26/29/29/179262929.db2.gz LMYIIQZDVACHSC-CQSZACIVSA-N 2 2 218.344 1.961 10 0 BDAELP Cc1ccccc1CC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000057939515 179262931 /nfs/dbraw/zinc/26/29/31/179262931.db2.gz LMYIIQZDVACHSC-CQSZACIVSA-N 2 2 218.344 1.961 10 0 BDAELP C[C@]([NH3+])(C[NH3+])COc1ccc(F)c(F)c1 ZINC000219121930 350114155 /nfs/dbraw/zinc/11/41/55/350114155.db2.gz NIIVYAVIRMPYLZ-JTQLQIEISA-N 2 2 216.231 1.020 10 0 BDAELP Cc1[nH+]c2c(C)cccn2c1CN1CC[NH2+]CC1 ZINC000031933317 180063759 /nfs/dbraw/zinc/06/37/59/180063759.db2.gz YSKGAFZUHCVCKO-UHFFFAOYSA-N 2 2 244.342 1.356 10 0 BDAELP Cc1[nH+]c2cccc(C)n2c1CN1CC[NH2+]CC1 ZINC000031933254 180100079 /nfs/dbraw/zinc/10/00/79/180100079.db2.gz QHJRLRDMLPHYRI-UHFFFAOYSA-N 2 2 244.342 1.356 10 0 BDAELP Cc1[nH]c(C[NH2+]Cc2ccnc(C)n2)c[nH+]1 ZINC000054822397 180189384 /nfs/dbraw/zinc/18/93/84/180189384.db2.gz HVQAMGZBRBSWTJ-UHFFFAOYSA-N 2 2 217.276 1.106 10 0 BDAELP Cc1[nH+]cccc1N[C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134071762 180225676 /nfs/dbraw/zinc/22/56/76/180225676.db2.gz NPCYWGWTFXMNLW-CMPLNLGQSA-N 2 2 235.331 1.569 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+](CCC(N)=[NH2+])C(C)C ZINC000042529814 180252456 /nfs/dbraw/zinc/25/24/56/180252456.db2.gz PKTRUGIHBGJOSB-UHFFFAOYSA-N 3 2 237.351 1.228 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+](CCC(N)=[NH2+])C(C)C ZINC000042529814 180252458 /nfs/dbraw/zinc/25/24/58/180252458.db2.gz PKTRUGIHBGJOSB-UHFFFAOYSA-N 3 2 237.351 1.228 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000069889652 350432266 /nfs/dbraw/zinc/43/22/66/350432266.db2.gz OCYMUQHSTWZVBH-UPJWGTAASA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)C1 ZINC000069889652 350432267 /nfs/dbraw/zinc/43/22/67/350432267.db2.gz OCYMUQHSTWZVBH-UPJWGTAASA-N 2 2 226.364 1.628 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc(CCO)c1 ZINC000616608428 350804539 /nfs/dbraw/zinc/80/45/39/350804539.db2.gz VACOLYOCBIIQDO-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc(CCO)c1 ZINC000616608428 350804541 /nfs/dbraw/zinc/80/45/41/350804541.db2.gz VACOLYOCBIIQDO-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccc3cnccc32)C1 ZINC000616611554 350809318 /nfs/dbraw/zinc/80/93/18/350809318.db2.gz GYPNESUKSJOSLO-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccc3cnccc32)C1 ZINC000616611554 350809321 /nfs/dbraw/zinc/80/93/21/350809321.db2.gz GYPNESUKSJOSLO-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@H](C)[C@@H](C)[NH3+] ZINC000251832061 350904460 /nfs/dbraw/zinc/90/44/60/350904460.db2.gz QBBMKSDBACKGMZ-GWOFURMSSA-N 2 2 200.326 1.221 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@H](C)[C@@H](C)[NH3+] ZINC000251832061 350904464 /nfs/dbraw/zinc/90/44/64/350904464.db2.gz QBBMKSDBACKGMZ-GWOFURMSSA-N 2 2 200.326 1.221 10 0 BDAELP Nc1cccc([C@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616620626 350943993 /nfs/dbraw/zinc/94/39/93/350943993.db2.gz JGPOLMNGCLKUTF-LBPRGKRZSA-N 2 2 219.332 1.407 10 0 BDAELP Nc1cccc([C@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616620626 350943996 /nfs/dbraw/zinc/94/39/96/350943996.db2.gz JGPOLMNGCLKUTF-LBPRGKRZSA-N 2 2 219.332 1.407 10 0 BDAELP [NH3+]CCN1CCCCC[C@H]1c1c[nH+]c[nH]1 ZINC000616624563 351091668 /nfs/dbraw/zinc/09/16/68/351091668.db2.gz AOBIPJAHWMWRAO-NSHDSACASA-N 2 2 208.309 1.286 10 0 BDAELP [NH3+]CCN1CCCCC[C@H]1c1c[nH]c[nH+]1 ZINC000616624563 351091671 /nfs/dbraw/zinc/09/16/71/351091671.db2.gz AOBIPJAHWMWRAO-NSHDSACASA-N 2 2 208.309 1.286 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1cccnc1 ZINC000616625252 351093725 /nfs/dbraw/zinc/09/37/25/351093725.db2.gz WXIZKSPYTULIFE-CYBMUJFWSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1cccnc1 ZINC000616625252 351093729 /nfs/dbraw/zinc/09/37/29/351093729.db2.gz WXIZKSPYTULIFE-CYBMUJFWSA-N 2 2 219.332 1.957 10 0 BDAELP [NH3+]CCN1c2ccccc2CC[C@@H]1c1c[nH+]c[nH]1 ZINC000616668414 351230605 /nfs/dbraw/zinc/23/06/05/351230605.db2.gz KNNNZRPTYNRKPP-CQSZACIVSA-N 2 2 242.326 1.862 10 0 BDAELP [NH3+]CCN1c2ccccc2CC[C@@H]1c1c[nH]c[nH+]1 ZINC000616668414 351230608 /nfs/dbraw/zinc/23/06/08/351230608.db2.gz KNNNZRPTYNRKPP-CQSZACIVSA-N 2 2 242.326 1.862 10 0 BDAELP CC(C)(C)[N@@H+]1CCOC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616658370 351204232 /nfs/dbraw/zinc/20/42/32/351204232.db2.gz DIVQPRSEESXGEF-SNVBAGLBSA-N 2 2 223.320 1.624 10 0 BDAELP CC(C)(C)[N@H+]1CCOC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616658370 351204233 /nfs/dbraw/zinc/20/42/33/351204233.db2.gz DIVQPRSEESXGEF-SNVBAGLBSA-N 2 2 223.320 1.624 10 0 BDAELP C[C@H]([C@@H]1CCC[NH2+]1)[NH+]1CCSCC1 ZINC000307188249 351590774 /nfs/dbraw/zinc/59/07/74/351590774.db2.gz WSBGCKYJXZLIOP-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP CS[C@H]1CCC[N@@H+]([C@H](C)C(N)=[NH2+])CC1 ZINC000300886058 363098098 /nfs/dbraw/zinc/09/80/98/363098098.db2.gz TWUSSWVRZNVOKZ-BDAKNGLRSA-N 2 2 215.366 1.528 10 0 BDAELP CS[C@H]1CCC[N@H+]([C@H](C)C(N)=[NH2+])CC1 ZINC000300886058 363098102 /nfs/dbraw/zinc/09/81/02/363098102.db2.gz TWUSSWVRZNVOKZ-BDAKNGLRSA-N 2 2 215.366 1.528 10 0 BDAELP CC(C)(C)[C@@](C)(C[NH3+])[NH+]1CCOCC1 ZINC000026510843 187741093 /nfs/dbraw/zinc/74/10/93/187741093.db2.gz BOGHRHBLJJUQPT-LLVKDONJSA-N 2 2 200.326 1.082 10 0 BDAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH2+]C)COC ZINC000232397910 352650235 /nfs/dbraw/zinc/65/02/35/352650235.db2.gz GCIUVRFQZDNWFR-CQSZACIVSA-N 2 2 236.359 1.743 10 0 BDAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C)COC ZINC000232397910 352650238 /nfs/dbraw/zinc/65/02/38/352650238.db2.gz GCIUVRFQZDNWFR-CQSZACIVSA-N 2 2 236.359 1.743 10 0 BDAELP C[C@H]([C@H](C)[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000307628936 352706113 /nfs/dbraw/zinc/70/61/13/352706113.db2.gz MRNHIVJCNPPTDQ-DTWKUNHWSA-N 2 2 210.346 1.842 10 0 BDAELP C[C@H]([C@H](C)[NH3+])[N@H+]1CCc2sccc2C1 ZINC000307628936 352706115 /nfs/dbraw/zinc/70/61/15/352706115.db2.gz MRNHIVJCNPPTDQ-DTWKUNHWSA-N 2 2 210.346 1.842 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CS1 ZINC000307332159 353068968 /nfs/dbraw/zinc/06/89/68/353068968.db2.gz CEBWICPIKXPZKB-BBBLOLIVSA-N 2 2 200.351 1.222 10 0 BDAELP FC(F)(F)Cn1c[nH+]cc1C1C[NH2+]C1 ZINC000131168399 353364521 /nfs/dbraw/zinc/36/45/21/353364521.db2.gz FPJXJDSXCYJXAA-UHFFFAOYSA-N 2 2 205.183 1.132 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000227525785 363240203 /nfs/dbraw/zinc/24/02/03/363240203.db2.gz HEXRVBSMKVEOML-LLVKDONJSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000227525785 363240210 /nfs/dbraw/zinc/24/02/10/363240210.db2.gz HEXRVBSMKVEOML-LLVKDONJSA-N 2 2 212.337 1.097 10 0 BDAELP CC1(C)C[N@H+](C/C=C/Cl)CCC[NH2+]1 ZINC000232791420 353763088 /nfs/dbraw/zinc/76/30/88/353763088.db2.gz CZGZOJJHCDYODS-HWKANZROSA-N 2 2 202.729 1.813 10 0 BDAELP CC1(C)C[N@@H+](C/C=C/Cl)CCC[NH2+]1 ZINC000232791420 353763091 /nfs/dbraw/zinc/76/30/91/353763091.db2.gz CZGZOJJHCDYODS-HWKANZROSA-N 2 2 202.729 1.813 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000308113813 354014307 /nfs/dbraw/zinc/01/43/07/354014307.db2.gz SYTNTTMSPHNGSO-OVGMLNDJSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C/Cl)C[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC000308113813 354014309 /nfs/dbraw/zinc/01/43/09/354014309.db2.gz SYTNTTMSPHNGSO-OVGMLNDJSA-N 2 2 202.729 1.798 10 0 BDAELP CCCCOCC[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232987952 363390520 /nfs/dbraw/zinc/39/05/20/363390520.db2.gz GTEAZGCJQKUYOP-MNOVXSKESA-N 2 2 200.326 1.082 10 0 BDAELP CCCCOCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232987952 363390522 /nfs/dbraw/zinc/39/05/22/363390522.db2.gz GTEAZGCJQKUYOP-MNOVXSKESA-N 2 2 200.326 1.082 10 0 BDAELP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cn1 ZINC000389148976 355731343 /nfs/dbraw/zinc/73/13/43/355731343.db2.gz IYYCBWKSHASQFR-AAEUAGOBSA-N 2 2 236.363 1.648 10 0 BDAELP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cn1 ZINC000389148976 355731345 /nfs/dbraw/zinc/73/13/45/355731345.db2.gz IYYCBWKSHASQFR-AAEUAGOBSA-N 2 2 236.363 1.648 10 0 BDAELP C[NH+](C)CCCN1CCCc2cc([NH3+])ccc21 ZINC000084828097 355838566 /nfs/dbraw/zinc/83/85/66/355838566.db2.gz YLXIFTRQKCLSEO-UHFFFAOYSA-N 2 2 233.359 1.973 10 0 BDAELP OCC[N@@H+]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000384369238 356626498 /nfs/dbraw/zinc/62/64/98/356626498.db2.gz HPANZYDJYKLGNX-AWEZNQCLSA-N 2 2 240.391 1.756 10 0 BDAELP OCC[N@H+]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000384369238 356626500 /nfs/dbraw/zinc/62/65/00/356626500.db2.gz HPANZYDJYKLGNX-AWEZNQCLSA-N 2 2 240.391 1.756 10 0 BDAELP [NH3+][C@H]1C=C(Cc2cccc(F)c2)C[NH2+]C1 ZINC000675077727 538513762 /nfs/dbraw/zinc/51/37/62/538513762.db2.gz HPVAGYLFAONCOU-LBPRGKRZSA-N 2 2 206.264 1.225 10 0 BDAELP Cc1cc(F)ccc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077555 538513786 /nfs/dbraw/zinc/51/37/86/538513786.db2.gz OEVNMCBGQBXKOQ-LLVKDONJSA-N 2 2 206.264 1.448 10 0 BDAELP [NH3+][C@H]1C=C(Cc2csc(Cl)c2)C[NH2+]C1 ZINC000675077806 538513809 /nfs/dbraw/zinc/51/38/09/538513809.db2.gz IWVHZXYLTXOUAJ-VIFPVBQESA-N 2 2 228.748 1.801 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2cccc(Cl)c2)C[NH2+]C1 ZINC000675078807 538516240 /nfs/dbraw/zinc/51/62/40/538516240.db2.gz TYEJRCZDCXNGKR-GFCCVEGCSA-N 2 2 222.719 1.739 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000389485970 356691746 /nfs/dbraw/zinc/69/17/46/356691746.db2.gz YMDOCQKMWJJFTE-UONOGXRCSA-N 2 2 240.391 1.611 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000389485970 356691748 /nfs/dbraw/zinc/69/17/48/356691748.db2.gz YMDOCQKMWJJFTE-UONOGXRCSA-N 2 2 240.391 1.611 10 0 BDAELP Cc1ccc(F)c(C2=C[C@H]([NH3+])C[NH2+]C2)c1 ZINC000675079455 538518713 /nfs/dbraw/zinc/51/87/13/538518713.db2.gz YYOHORWUFMSYSM-JTQLQIEISA-N 2 2 206.264 1.448 10 0 BDAELP COc1ccccc1C1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077338 538512277 /nfs/dbraw/zinc/51/22/77/538512277.db2.gz COKPHGJOLREJQR-SNVBAGLBSA-N 2 2 204.273 1.009 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccccc2F)C[NH2+]C1 ZINC000675077267 538512416 /nfs/dbraw/zinc/51/24/16/538512416.db2.gz BSPSKINRGDAPOA-LLVKDONJSA-N 2 2 206.264 1.225 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000389517756 356901551 /nfs/dbraw/zinc/90/15/51/356901551.db2.gz GIKZFHYHQPTRSN-WUHRBBMRSA-N 2 2 238.375 1.484 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000389517756 356901552 /nfs/dbraw/zinc/90/15/52/356901552.db2.gz GIKZFHYHQPTRSN-WUHRBBMRSA-N 2 2 238.375 1.484 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000389537770 356982133 /nfs/dbraw/zinc/98/21/33/356982133.db2.gz JODBXVXWTFLSPK-DCAQKATOSA-N 2 2 200.326 1.094 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)C1 ZINC000389537770 356982135 /nfs/dbraw/zinc/98/21/35/356982135.db2.gz JODBXVXWTFLSPK-DCAQKATOSA-N 2 2 200.326 1.094 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000389553448 356988739 /nfs/dbraw/zinc/98/87/39/356988739.db2.gz QAKJSGHZKGSFEH-GWCFXTLKSA-N 2 2 237.322 1.966 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncc(F)c2)C1 ZINC000389553448 356988740 /nfs/dbraw/zinc/98/87/40/356988740.db2.gz QAKJSGHZKGSFEH-GWCFXTLKSA-N 2 2 237.322 1.966 10 0 BDAELP FC1(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000381479781 357267966 /nfs/dbraw/zinc/26/79/66/357267966.db2.gz CKBAWFXPVMIVOH-SNVBAGLBSA-N 2 2 223.295 1.852 10 0 BDAELP CC[N@H+](CC(C)C)[C@H]1CC[NH2+]C[C@H]1F ZINC000685948437 538890834 /nfs/dbraw/zinc/89/08/34/538890834.db2.gz NYSOCVSXRGUBIP-MNOVXSKESA-N 2 2 202.317 1.664 10 0 BDAELP CC[N@@H+](CC(C)C)[C@H]1CC[NH2+]C[C@H]1F ZINC000685948437 538890836 /nfs/dbraw/zinc/89/08/36/538890836.db2.gz NYSOCVSXRGUBIP-MNOVXSKESA-N 2 2 202.317 1.664 10 0 BDAELP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1csnn1 ZINC000398245642 357870053 /nfs/dbraw/zinc/87/00/53/357870053.db2.gz RXWFVXMXYWCQHG-DTWKUNHWSA-N 2 2 226.349 1.188 10 0 BDAELP Nc1[nH+]cccc1OCC1CC[NH2+]CC1 ZINC000584628719 358298039 /nfs/dbraw/zinc/29/80/39/358298039.db2.gz SXOADHAKWDQQCZ-UHFFFAOYSA-N 2 2 207.277 1.042 10 0 BDAELP Cc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)on1 ZINC000045011542 358398462 /nfs/dbraw/zinc/39/84/62/358398462.db2.gz WGBLMZJVJXIYSW-JTQLQIEISA-N 2 2 209.293 1.072 10 0 BDAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000306312500 359593532 /nfs/dbraw/zinc/59/35/32/359593532.db2.gz NNENFPPSUDATFF-GXSJLCMTSA-N 2 2 214.378 1.420 10 0 BDAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CSC2)C1 ZINC000306312500 359593535 /nfs/dbraw/zinc/59/35/35/359593535.db2.gz NNENFPPSUDATFF-GXSJLCMTSA-N 2 2 214.378 1.420 10 0 BDAELP C[NH2+][C@@H]1CC[N@@H+]([C@@H]2CSC[C@@H]2C)C1 ZINC000306410283 359795909 /nfs/dbraw/zinc/79/59/09/359795909.db2.gz RAWFRSFTMPVAPY-IVZWLZJFSA-N 2 2 200.351 1.032 10 0 BDAELP C[NH2+][C@@H]1CC[N@H+]([C@@H]2CSC[C@@H]2C)C1 ZINC000306410283 359795912 /nfs/dbraw/zinc/79/59/12/359795912.db2.gz RAWFRSFTMPVAPY-IVZWLZJFSA-N 2 2 200.351 1.032 10 0 BDAELP C[C@@H]1CCC[N@H+](C2CSC2)[C@@H]1C[NH3+] ZINC000306577595 360466116 /nfs/dbraw/zinc/46/61/16/360466116.db2.gz LKWGWQOOUGDPCS-PSASIEDQSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CCC[N@@H+](C2CSC2)[C@@H]1C[NH3+] ZINC000306577595 360466119 /nfs/dbraw/zinc/46/61/19/360466119.db2.gz LKWGWQOOUGDPCS-PSASIEDQSA-N 2 2 200.351 1.161 10 0 BDAELP Cc1nc(C2([NH3+])CC[NH2+]CC2)sc1C ZINC000041060022 361240693 /nfs/dbraw/zinc/24/06/93/361240693.db2.gz AIFHTAWZIJWSMI-UHFFFAOYSA-N 2 2 211.334 1.297 10 0 BDAELP [NH3+]C1(CN2CCn3cc[nH+]c3C2)CCCCC1 ZINC000062321490 181331035 /nfs/dbraw/zinc/33/10/35/181331035.db2.gz CWMZPPDSCJZCTE-UHFFFAOYSA-N 2 2 234.347 1.360 10 0 BDAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCn1cc[nH+]c1 ZINC000054629584 181345116 /nfs/dbraw/zinc/34/51/16/181345116.db2.gz QBRSUPSBTKQRKR-AGUYFDCRSA-N 3 2 248.374 1.617 10 0 BDAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCn1cc[nH+]c1 ZINC000054629584 181345118 /nfs/dbraw/zinc/34/51/18/181345118.db2.gz QBRSUPSBTKQRKR-AGUYFDCRSA-N 3 2 248.374 1.617 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+]CC1CCOCC1 ZINC000155663364 201345696 /nfs/dbraw/zinc/34/56/96/201345696.db2.gz DWEHTNMCPJPMFD-LBPRGKRZSA-N 2 2 212.337 1.097 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+]CC1CCOCC1 ZINC000155663364 201345701 /nfs/dbraw/zinc/34/57/01/201345701.db2.gz DWEHTNMCPJPMFD-LBPRGKRZSA-N 2 2 212.337 1.097 10 0 BDAELP CCCCOCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361156 364080768 /nfs/dbraw/zinc/08/07/68/364080768.db2.gz IMWMPAYJFUUESG-STQMWFEESA-N 2 2 244.379 1.241 10 0 BDAELP CCCCOCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000630361156 364080775 /nfs/dbraw/zinc/08/07/75/364080775.db2.gz IMWMPAYJFUUESG-STQMWFEESA-N 2 2 244.379 1.241 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cccc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630361899 364081075 /nfs/dbraw/zinc/08/10/75/364081075.db2.gz NMFGUYXGGFECGB-HUUCEWRRSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cccc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630361899 364081079 /nfs/dbraw/zinc/08/10/79/364081079.db2.gz NMFGUYXGGFECGB-HUUCEWRRSA-N 2 2 248.370 1.933 10 0 BDAELP C[C@@H]1CO[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000038673977 364051584 /nfs/dbraw/zinc/05/15/84/364051584.db2.gz SEZNKYANPTZLKD-DGCLKSJQSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@@H]1CO[C@H](C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000038673977 364051592 /nfs/dbraw/zinc/05/15/92/364051592.db2.gz SEZNKYANPTZLKD-DGCLKSJQSA-N 2 2 220.316 1.235 10 0 BDAELP C[C@H]1CC[C@@H](Nc2[nH+]c3ccccc3n2C)C[NH2+]1 ZINC000630533046 364223064 /nfs/dbraw/zinc/22/30/64/364223064.db2.gz NBPUYLFJHLTTFP-WDEREUQCSA-N 2 2 244.342 1.548 10 0 BDAELP Cc1nc(N[C@H]2CC[C@H](C)[NH2+]C2)cc[nH+]1 ZINC000630534304 364226633 /nfs/dbraw/zinc/22/66/33/364226633.db2.gz VRUGGZHGXJAOEG-WPRPVWTQSA-N 2 2 206.293 1.337 10 0 BDAELP [NH3+]CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000037006883 181368780 /nfs/dbraw/zinc/36/87/80/181368780.db2.gz IRYXJMRNKHZTNH-UHFFFAOYSA-N 2 2 230.271 1.160 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ccc(Cl)cn2)C[NH2+]C1 ZINC000675078507 541390539 /nfs/dbraw/zinc/39/05/39/541390539.db2.gz QFMYXYQKZZQHKS-JTQLQIEISA-N 2 2 223.707 1.134 10 0 BDAELP [NH3+]CCCNc1cn[nH+]c2ccccc12 ZINC000062202014 181383903 /nfs/dbraw/zinc/38/39/03/181383903.db2.gz JKFIEBIPJWETSO-UHFFFAOYSA-N 2 2 202.261 1.391 10 0 BDAELP [NH3+]CC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000050523587 181397019 /nfs/dbraw/zinc/39/70/19/181397019.db2.gz GLAXMKZXHVVJHU-AWEZNQCLSA-N 2 2 230.311 1.422 10 0 BDAELP O=C1NC=[NH+][C@H]2C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000101422353 368339809 /nfs/dbraw/zinc/33/98/09/368339809.db2.gz UCMFKIXRJBDWLN-STQMWFEESA-N 2 2 243.310 1.035 10 0 BDAELP O=C1NC=[NH+][C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]12 ZINC000101422353 368339817 /nfs/dbraw/zinc/33/98/17/368339817.db2.gz UCMFKIXRJBDWLN-STQMWFEESA-N 2 2 243.310 1.035 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000111043714 368846664 /nfs/dbraw/zinc/84/66/64/368846664.db2.gz MTJADAKZQJFRSB-LLVKDONJSA-N 2 2 233.315 1.718 10 0 BDAELP C[C@H]1C[NH2+]C[C@]2(C1)[NH2+]C(C)(C)CS2 ZINC000401697736 371801821 /nfs/dbraw/zinc/80/18/21/371801821.db2.gz MAWRYOGPOBWTBI-PSASIEDQSA-N 2 2 200.351 1.427 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1sccc1Br ZINC000228004119 371973005 /nfs/dbraw/zinc/97/30/05/371973005.db2.gz WYVUXVSBYVDBGO-LURJTMIESA-N 2 2 235.150 1.730 10 0 BDAELP C[C@H](c1cncs1)[NH+]1CCC([NH3+])CC1 ZINC000229144150 372122604 /nfs/dbraw/zinc/12/26/04/372122604.db2.gz FQFKQFYIDPFLFG-MRVPVSSYSA-N 2 2 211.334 1.627 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838953 372633510 /nfs/dbraw/zinc/63/35/10/372633510.db2.gz XMJLGPBLNIXCNZ-ZJUUUORDSA-N 2 2 223.320 1.264 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838953 372633517 /nfs/dbraw/zinc/63/35/17/372633517.db2.gz XMJLGPBLNIXCNZ-ZJUUUORDSA-N 2 2 223.320 1.264 10 0 BDAELP CC(C)n1ccnc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838782 372634053 /nfs/dbraw/zinc/63/40/53/372634053.db2.gz VAUWYSWWOGAPOS-NEPJUHHUSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccnc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631838782 372634056 /nfs/dbraw/zinc/63/40/56/372634056.db2.gz VAUWYSWWOGAPOS-NEPJUHHUSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccnc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838783 372634482 /nfs/dbraw/zinc/63/44/82/372634482.db2.gz VAUWYSWWOGAPOS-NWDGAFQWSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccnc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631838783 372634487 /nfs/dbraw/zinc/63/44/87/372634487.db2.gz VAUWYSWWOGAPOS-NWDGAFQWSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)c1noc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631842106 372641022 /nfs/dbraw/zinc/64/10/22/372641022.db2.gz VMXYRHQEODCUOG-VHSXEESVSA-N 2 2 238.335 1.220 10 0 BDAELP CC(C)c1noc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631842106 372641028 /nfs/dbraw/zinc/64/10/28/372641028.db2.gz VMXYRHQEODCUOG-VHSXEESVSA-N 2 2 238.335 1.220 10 0 BDAELP Nc1cc[nH+]cc1[C@@H]([NH3+])c1ccsc1 ZINC000069845000 373877089 /nfs/dbraw/zinc/87/70/89/373877089.db2.gz IYVSRBCTKNSCIJ-JTQLQIEISA-N 2 2 205.286 1.773 10 0 BDAELP CCCC[C@H](C[NH3+])[N@H+](CCOC)[C@@H](C)COC ZINC000042603088 169002663 /nfs/dbraw/zinc/00/26/63/169002663.db2.gz SRAWGSIDOBFRIL-QWHCGFSZSA-N 2 2 246.395 1.487 10 0 BDAELP CCCC[C@H](C[NH3+])[N@@H+](CCOC)[C@@H](C)COC ZINC000042603088 169002666 /nfs/dbraw/zinc/00/26/66/169002666.db2.gz SRAWGSIDOBFRIL-QWHCGFSZSA-N 2 2 246.395 1.487 10 0 BDAELP OC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000063000775 183141300 /nfs/dbraw/zinc/14/13/00/183141300.db2.gz JFCWKJAMTPVBBV-OLZOCXBDSA-N 2 2 220.316 1.062 10 0 BDAELP O[C@H]1CCCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000042541189 183231292 /nfs/dbraw/zinc/23/12/92/183231292.db2.gz JKIYNILVZABBPJ-NEPJUHHUSA-N 2 2 223.320 1.166 10 0 BDAELP O[C@H]1C[NH2+]C[C@H]1[NH+]1CCC2(CCCCC2)CC1 ZINC000104252395 183245869 /nfs/dbraw/zinc/24/58/69/183245869.db2.gz SLUGHIBCDOEJAZ-OLZOCXBDSA-N 2 2 238.375 1.365 10 0 BDAELP Oc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000083348999 183270800 /nfs/dbraw/zinc/27/08/00/183270800.db2.gz VAVAJOPEOJONNE-UHFFFAOYSA-N 2 2 217.272 1.448 10 0 BDAELP Oc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000083348999 183270801 /nfs/dbraw/zinc/27/08/01/183270801.db2.gz VAVAJOPEOJONNE-UHFFFAOYSA-N 2 2 217.272 1.448 10 0 BDAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1ccccc1C ZINC000043036230 169167921 /nfs/dbraw/zinc/16/79/21/169167921.db2.gz KGVKAEHGGFFOJU-CQSZACIVSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1ccccc1C ZINC000043036230 169167922 /nfs/dbraw/zinc/16/79/22/169167922.db2.gz KGVKAEHGGFFOJU-CQSZACIVSA-N 2 2 236.359 1.699 10 0 BDAELP c1c([C@H]2CCC[NH2+]C2)[nH+]c2n1CCCC2 ZINC000082931199 183321897 /nfs/dbraw/zinc/32/18/97/183321897.db2.gz MRSYNYIZNUVNLY-JTQLQIEISA-N 2 2 205.305 1.686 10 0 BDAELP CCCN1CCc2[nH+]c[nH]c2C12CC[NH2+]CC2 ZINC000253495531 169208411 /nfs/dbraw/zinc/20/84/11/169208411.db2.gz ICBXTZVTWVPLMO-UHFFFAOYSA-N 2 2 234.347 1.257 10 0 BDAELP c1cc(OCC[C@@H]2CCC[NH2+]C2)cc[nH+]1 ZINC000051918758 183359046 /nfs/dbraw/zinc/35/90/46/183359046.db2.gz FUYYRKBMQDVFPC-NSHDSACASA-N 2 2 206.289 1.850 10 0 BDAELP CCC[NH2+][C@H](C)C[N@H+](C)C[C@@H]1CCCO1 ZINC000043966288 169285749 /nfs/dbraw/zinc/28/57/49/169285749.db2.gz PYCBZEFIHSFWHS-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[NH2+][C@H](C)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000043966288 169285751 /nfs/dbraw/zinc/28/57/51/169285751.db2.gz PYCBZEFIHSFWHS-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@H]1C[N@@H+]1CCO[C@H](C)C1 ZINC000053862067 169281890 /nfs/dbraw/zinc/28/18/90/169281890.db2.gz MUCQGGAWOISHPG-HZSPNIEDSA-N 2 2 240.391 1.875 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@H]1C[N@H+]1CCO[C@H](C)C1 ZINC000053862067 169281891 /nfs/dbraw/zinc/28/18/91/169281891.db2.gz MUCQGGAWOISHPG-HZSPNIEDSA-N 2 2 240.391 1.875 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCCC1 ZINC000036325943 171105384 /nfs/dbraw/zinc/10/53/84/171105384.db2.gz KKEIUFXAWCMSRP-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1ccc(Cl)c(F)c1 ZINC000050270040 383988568 /nfs/dbraw/zinc/98/85/68/383988568.db2.gz OEZXGWAPWJPAIU-VIFPVBQESA-N 2 2 202.660 1.698 10 0 BDAELP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068332 384329219 /nfs/dbraw/zinc/32/92/19/384329219.db2.gz MPWIZPYCHBDIQE-QWRGUYRKSA-N 2 2 207.321 1.807 10 0 BDAELP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068321 384331119 /nfs/dbraw/zinc/33/11/19/384331119.db2.gz VLJHWKMPVUHAHI-OUAUKWLOSA-N 2 2 220.320 1.397 10 0 BDAELP C[NH+](C)[C@@H](C[NH3+])c1c[nH]c2c1cccc2F ZINC000082599008 384696999 /nfs/dbraw/zinc/69/69/99/384696999.db2.gz WYWNCUAKNSAXCL-NSHDSACASA-N 2 2 221.279 1.868 10 0 BDAELP Cc1ccc(N[C@H](C)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000334848767 384747216 /nfs/dbraw/zinc/74/72/16/384747216.db2.gz KESURLCBZSTPTD-MNOVXSKESA-N 2 2 205.305 1.800 10 0 BDAELP CCC[C@]1(CO)CC[N@H+](CC[NH2+]C(C)C)C1 ZINC000310038254 384806265 /nfs/dbraw/zinc/80/62/65/384806265.db2.gz VXHXULDHJLMGCP-ZDUSSCGKSA-N 2 2 228.380 1.469 10 0 BDAELP CCC[C@]1(CO)CC[N@@H+](CC[NH2+]C(C)C)C1 ZINC000310038254 384806271 /nfs/dbraw/zinc/80/62/71/384806271.db2.gz VXHXULDHJLMGCP-ZDUSSCGKSA-N 2 2 228.380 1.469 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(F)cc1C(F)(F)F ZINC000072201035 384813908 /nfs/dbraw/zinc/81/39/08/384813908.db2.gz BXXOVQMCIGLCDY-MRVPVSSYSA-N 2 2 222.185 1.803 10 0 BDAELP C[C@H](C[NH3+])CNc1cc(NC2CC2)nc[nH+]1 ZINC000258548368 384935482 /nfs/dbraw/zinc/93/54/82/384935482.db2.gz ADAHYHQMYSVYME-MRVPVSSYSA-N 2 2 221.308 1.058 10 0 BDAELP C[C@H](C[NH3+])CNc1cc(NC2CC2)[nH+]cn1 ZINC000258548368 384935489 /nfs/dbraw/zinc/93/54/89/384935489.db2.gz ADAHYHQMYSVYME-MRVPVSSYSA-N 2 2 221.308 1.058 10 0 BDAELP C[C@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000307331284 384990118 /nfs/dbraw/zinc/99/01/18/384990118.db2.gz OUQTXTGZWHSVPA-TZMCWYRMSA-N 2 2 234.343 1.543 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCOC(C)(C)C1 ZINC000309005349 385365496 /nfs/dbraw/zinc/36/54/96/385365496.db2.gz POQGLDPEMVCCNM-UHFFFAOYSA-N 2 2 214.353 1.485 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCOC(C)(C)C1 ZINC000309005349 385365499 /nfs/dbraw/zinc/36/54/99/385365499.db2.gz POQGLDPEMVCCNM-UHFFFAOYSA-N 2 2 214.353 1.485 10 0 BDAELP Cc1csc(-n2cc[nH+]c2CC[NH3+])n1 ZINC000052304382 385724953 /nfs/dbraw/zinc/72/49/53/385724953.db2.gz NNLIQMPBSFVWNO-UHFFFAOYSA-N 2 2 208.290 1.138 10 0 BDAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CSC1(C)C ZINC000393857173 385892709 /nfs/dbraw/zinc/89/27/09/385892709.db2.gz VRGMOVKIZZLYNG-VWYCJHECSA-N 2 2 244.404 1.237 10 0 BDAELP CCc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)nc(C)[nH+]1 ZINC000272811170 385937437 /nfs/dbraw/zinc/93/74/37/385937437.db2.gz CKWHEHOIPOYYEE-ZWNOBZJWSA-N 2 2 248.374 1.734 10 0 BDAELP Cc1nc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)sc1C ZINC000415082511 386599808 /nfs/dbraw/zinc/59/98/08/386599808.db2.gz OMHULAOSKHUOSW-MWLCHTKSSA-N 2 2 239.388 1.848 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1ccccn1 ZINC000396584863 386778968 /nfs/dbraw/zinc/77/89/68/386778968.db2.gz QSPPUQGHUUGJJR-GVXVVHGQSA-N 2 2 219.332 1.873 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccnc1 ZINC000396576360 386782024 /nfs/dbraw/zinc/78/20/24/386782024.db2.gz NEXPLDFFYDEODQ-DMDPSCGWSA-N 2 2 219.332 1.873 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336268219 387101520 /nfs/dbraw/zinc/10/15/20/387101520.db2.gz PNLMLLRGHTUORO-CHWSQXEVSA-N 2 2 248.374 1.648 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@@H+]1C[C@H](C)[C@@H]1C ZINC000575587922 387180501 /nfs/dbraw/zinc/18/05/01/387180501.db2.gz ABTTVYQBNAVCAD-AATLWQCWSA-N 2 2 200.351 1.030 10 0 BDAELP CS[C@@H]1C[NH2+]C[C@@H]1[N@H+]1C[C@H](C)[C@@H]1C ZINC000575587922 387180506 /nfs/dbraw/zinc/18/05/06/387180506.db2.gz ABTTVYQBNAVCAD-AATLWQCWSA-N 2 2 200.351 1.030 10 0 BDAELP c1ccc2c(c1)CCN2CC[NH2+][C@H]1CCC[NH2+]C1 ZINC000067868481 388407508 /nfs/dbraw/zinc/40/75/08/388407508.db2.gz LCWBOBXWMYISQX-AWEZNQCLSA-N 2 2 245.370 1.391 10 0 BDAELP C[C@@H]1Oc2ccccc2C=C1[C@@H](C[NH3+])[NH+](C)C ZINC000041166616 388431676 /nfs/dbraw/zinc/43/16/76/388431676.db2.gz NEQZSYHZFHWQLS-GXFFZTMASA-N 2 2 232.327 1.740 10 0 BDAELP CCC[C@@H](C[NH2+][C@@H]1CC[N@H+](CC)C1)OC ZINC000378738190 388492519 /nfs/dbraw/zinc/49/25/19/388492519.db2.gz GRURFHJIZKZHKG-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP CCC[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC)C1)OC ZINC000378738190 388492521 /nfs/dbraw/zinc/49/25/21/388492521.db2.gz GRURFHJIZKZHKG-NEPJUHHUSA-N 2 2 214.353 1.485 10 0 BDAELP C[C@H]1CC[C@H]([NH3+])C[N@@H+]1C[Si](C)(C)C ZINC000575455490 388775582 /nfs/dbraw/zinc/77/55/82/388775582.db2.gz JPQCVHFKDRISPQ-UWVGGRQHSA-N 2 2 200.402 1.675 10 0 BDAELP C[C@H]1CC[C@H]([NH3+])C[N@H+]1C[Si](C)(C)C ZINC000575455490 388775584 /nfs/dbraw/zinc/77/55/84/388775584.db2.gz JPQCVHFKDRISPQ-UWVGGRQHSA-N 2 2 200.402 1.675 10 0 BDAELP CC1CCN(c2cc[nH+]c(C[NH3+])c2)CC1 ZINC000051396110 132360015 /nfs/dbraw/zinc/36/00/15/132360015.db2.gz WVJQXWILCBMYLT-UHFFFAOYSA-N 2 2 205.305 1.777 10 0 BDAELP Cc1cc(N2C[C@@H](C[NH3+])CC[C@@H]2C)nc[nH+]1 ZINC000053704710 132363102 /nfs/dbraw/zinc/36/31/02/132363102.db2.gz DTJNSJGSQVOQDY-WDEREUQCSA-N 2 2 220.320 1.349 10 0 BDAELP CCc1[nH+]c(C(C)C)nc(N2CC[NH2+]CC2)c1C ZINC000045950748 132299386 /nfs/dbraw/zinc/29/93/86/132299386.db2.gz GBBHFNOXRAFIHF-UHFFFAOYSA-N 2 2 248.374 1.880 10 0 BDAELP C[C@H]1CN(c2cc[nH+]c(C[NH3+])c2)CC(C)(C)O1 ZINC000051397720 132360308 /nfs/dbraw/zinc/36/03/08/132360308.db2.gz ORXWGOCMBDSDQZ-JTQLQIEISA-N 2 2 235.331 1.544 10 0 BDAELP CCC[NH+]1CCN(c2[nH+]cc(N)cc2C)CC1 ZINC000052812185 132362423 /nfs/dbraw/zinc/36/24/23/132362423.db2.gz XRKOKUBIYZPJJH-UHFFFAOYSA-N 2 2 234.347 1.504 10 0 BDAELP Cc1cc(N)c[nH+]c1N1CC[NH+](CC2CC2)CC1 ZINC000052813065 132362521 /nfs/dbraw/zinc/36/25/21/132362521.db2.gz KYOFYCVSMHOPAP-UHFFFAOYSA-N 2 2 246.358 1.504 10 0 BDAELP C[C@H]1CN(c2ccc([NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000071537774 132393921 /nfs/dbraw/zinc/39/39/21/132393921.db2.gz JYACNAKXUKLVEY-RYUDHWBXSA-N 2 2 233.359 1.939 10 0 BDAELP C[N@@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335936227 134012619 /nfs/dbraw/zinc/01/26/19/134012619.db2.gz HIMCHXNNPDHLPK-QWHCGFSZSA-N 2 2 238.375 1.364 10 0 BDAELP C[N@H+]1C[C@H](O)C[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000335936227 134012620 /nfs/dbraw/zinc/01/26/20/134012620.db2.gz HIMCHXNNPDHLPK-QWHCGFSZSA-N 2 2 238.375 1.364 10 0 BDAELP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000222263235 134330925 /nfs/dbraw/zinc/33/09/25/134330925.db2.gz BJZUYLRETWYTEY-WUHRBBMRSA-N 2 2 228.380 1.728 10 0 BDAELP CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000222263235 134330926 /nfs/dbraw/zinc/33/09/26/134330926.db2.gz BJZUYLRETWYTEY-WUHRBBMRSA-N 2 2 228.380 1.728 10 0 BDAELP C[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)[NH+](C)C ZINC000251088062 135063460 /nfs/dbraw/zinc/06/34/60/135063460.db2.gz JOJXIZGFYNPMLN-DDHJBXDOSA-N 2 2 226.364 1.340 10 0 BDAELP CC1(C)CN(c2cccc[nH+]2)CC[C@@H]1[NH3+] ZINC000261535173 135168948 /nfs/dbraw/zinc/16/89/48/135168948.db2.gz NYRMJCPEYZBLDI-JTQLQIEISA-N 2 2 205.305 1.645 10 0 BDAELP CC1(C)C[N@H+](Cc2cncs2)CC[C@H]1[NH3+] ZINC000261538024 135175312 /nfs/dbraw/zinc/17/53/12/135175312.db2.gz XERZSOQQDFQBNY-SNVBAGLBSA-N 2 2 225.361 1.702 10 0 BDAELP CC1(C)C[N@@H+](Cc2cncs2)CC[C@H]1[NH3+] ZINC000261538024 135175313 /nfs/dbraw/zinc/17/53/13/135175313.db2.gz XERZSOQQDFQBNY-SNVBAGLBSA-N 2 2 225.361 1.702 10 0 BDAELP Cc1ncccc1C[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261554623 135194394 /nfs/dbraw/zinc/19/43/94/135194394.db2.gz PCKFAUFDMGWGKK-SMDDNHRTSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1ncccc1C[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000261554623 135194396 /nfs/dbraw/zinc/19/43/96/135194396.db2.gz PCKFAUFDMGWGKK-SMDDNHRTSA-N 2 2 233.359 1.949 10 0 BDAELP C[N@@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616686349 397927134 /nfs/dbraw/zinc/92/71/34/397927134.db2.gz IPEVBHQOZWTHGR-NSHDSACASA-N 2 2 207.277 1.172 10 0 BDAELP C[N@H+]1CCO[C@H](Nc2cccc[nH+]2)CC1 ZINC000616686349 397927138 /nfs/dbraw/zinc/92/71/38/397927138.db2.gz IPEVBHQOZWTHGR-NSHDSACASA-N 2 2 207.277 1.172 10 0 BDAELP Cc1nocc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662266983 409569237 /nfs/dbraw/zinc/56/92/37/409569237.db2.gz PBPOGJFOLRDAPW-GFCCVEGCSA-N 2 2 223.320 1.557 10 0 BDAELP Cc1nocc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000662266983 409569240 /nfs/dbraw/zinc/56/92/40/409569240.db2.gz PBPOGJFOLRDAPW-GFCCVEGCSA-N 2 2 223.320 1.557 10 0 BDAELP CN1CCC[C@H]1C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308634982 409895588 /nfs/dbraw/zinc/89/55/88/409895588.db2.gz MUPORORSVAOVHH-ZDUSSCGKSA-N 2 2 239.407 1.545 10 0 BDAELP C[C@H]([NH3+])[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)CCO1 ZINC000132887348 409978485 /nfs/dbraw/zinc/97/84/85/409978485.db2.gz ZALPXQFBOCFGQK-CABZTGNLSA-N 2 2 246.314 1.115 10 0 BDAELP CC(C)OC(=O)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042537 167170136 /nfs/dbraw/zinc/17/01/36/167170136.db2.gz XTVFMBZWXWQXAU-GFCCVEGCSA-N 2 2 240.347 1.154 10 0 BDAELP CC(C)OC(=O)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042537 167170139 /nfs/dbraw/zinc/17/01/39/167170139.db2.gz XTVFMBZWXWQXAU-GFCCVEGCSA-N 2 2 240.347 1.154 10 0 BDAELP CC(C)[C@](C)(CO)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000398450965 410964365 /nfs/dbraw/zinc/96/43/65/410964365.db2.gz CBUGIHBIDLUKIA-RYUDHWBXSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)[C@](C)(CO)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000398450965 410964370 /nfs/dbraw/zinc/96/43/70/410964370.db2.gz CBUGIHBIDLUKIA-RYUDHWBXSA-N 2 2 214.353 1.077 10 0 BDAELP CC[C@@H](O)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000049555756 411239946 /nfs/dbraw/zinc/23/99/46/411239946.db2.gz YBWYXZZDEMLJFQ-VXGBXAGGSA-N 2 2 216.369 1.323 10 0 BDAELP CC(C)(O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656678256 411323191 /nfs/dbraw/zinc/32/31/91/411323191.db2.gz YKIHNUDPENLIBC-JTQLQIEISA-N 2 2 214.353 1.220 10 0 BDAELP CC(C)(O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656678256 411323194 /nfs/dbraw/zinc/32/31/94/411323194.db2.gz YKIHNUDPENLIBC-JTQLQIEISA-N 2 2 214.353 1.220 10 0 BDAELP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C(C)(C)C ZINC000304263095 411357330 /nfs/dbraw/zinc/35/73/30/411357330.db2.gz UGYZWKQMASWHIL-MNOVXSKESA-N 2 2 225.336 1.268 10 0 BDAELP Nc1ccc([C@@H]2CCC[N@H+](CC[NH3+])CC2)c[nH+]1 ZINC000616601411 411382407 /nfs/dbraw/zinc/38/24/07/411382407.db2.gz OWIUZHDGCWRRRJ-LLVKDONJSA-N 3 2 234.347 1.192 10 0 BDAELP Nc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])CC2)c[nH+]1 ZINC000616601411 411382412 /nfs/dbraw/zinc/38/24/12/411382412.db2.gz OWIUZHDGCWRRRJ-LLVKDONJSA-N 3 2 234.347 1.192 10 0 BDAELP Nc1ccc([C@@H]2CCCN(CC[NH3+])CC2)c[nH+]1 ZINC000616601411 411382414 /nfs/dbraw/zinc/38/24/14/411382414.db2.gz OWIUZHDGCWRRRJ-LLVKDONJSA-N 2 2 234.347 1.192 10 0 BDAELP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@H]2O)n1C ZINC000657360670 411477174 /nfs/dbraw/zinc/47/71/74/411477174.db2.gz OSIZJVUDFAVDDF-NWDGAFQWSA-N 2 2 223.320 1.122 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C2)CO1 ZINC000657495651 411535087 /nfs/dbraw/zinc/53/50/87/411535087.db2.gz KOHIGHHOSBJDGG-IJLUTSLNSA-N 2 2 212.337 1.238 10 0 BDAELP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC)C2)CO1 ZINC000657495651 411535088 /nfs/dbraw/zinc/53/50/88/411535088.db2.gz KOHIGHHOSBJDGG-IJLUTSLNSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000328337775 170023063 /nfs/dbraw/zinc/02/30/63/170023063.db2.gz JTONUJVNDFGAKW-WOPDTQHZSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000328337775 170023064 /nfs/dbraw/zinc/02/30/64/170023064.db2.gz JTONUJVNDFGAKW-WOPDTQHZSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCOC)[C@@H](C)C1 ZINC000336769768 170037495 /nfs/dbraw/zinc/03/74/95/170037495.db2.gz VBYNYKBBXBIALD-SRVKXCTJSA-N 2 2 214.353 1.341 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCOC)[C@@H](C)C1 ZINC000336769768 170037497 /nfs/dbraw/zinc/03/74/97/170037497.db2.gz VBYNYKBBXBIALD-SRVKXCTJSA-N 2 2 214.353 1.341 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000336769306 170039890 /nfs/dbraw/zinc/03/98/90/170039890.db2.gz USYBSEHLQDEFFB-QJPTWQEYSA-N 2 2 228.405 1.812 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000336769306 170039891 /nfs/dbraw/zinc/03/98/91/170039891.db2.gz USYBSEHLQDEFFB-QJPTWQEYSA-N 2 2 228.405 1.812 10 0 BDAELP CC[NH2+]C1CC[NH+](Cc2ncccc2C)CC1 ZINC000071344186 170108141 /nfs/dbraw/zinc/10/81/41/170108141.db2.gz QHYRNXBONBWOIN-UHFFFAOYSA-N 2 2 233.359 1.964 10 0 BDAELP CC[NH2+]C1(c2nc(C)cs2)CC[NH2+]CC1 ZINC000041061079 170108647 /nfs/dbraw/zinc/10/86/47/170108647.db2.gz ODABEYKRCKBYBD-UHFFFAOYSA-N 2 2 225.361 1.640 10 0 BDAELP CC[NH2+]CC1(C[N@@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000051210497 170111039 /nfs/dbraw/zinc/11/10/39/170111039.db2.gz JHNUKKTVARPNCO-ZDUSSCGKSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]CC1(C[N@H+]2CCO[C@@H](C)C2)CCCC1 ZINC000051210497 170111040 /nfs/dbraw/zinc/11/10/40/170111040.db2.gz JHNUKKTVARPNCO-ZDUSSCGKSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]CC[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000052544075 170116169 /nfs/dbraw/zinc/11/61/69/170116169.db2.gz WIFFJOLZODQELI-CYBMUJFWSA-N 3 2 241.423 1.791 10 0 BDAELP CC[NH2+]CC[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000052544075 170116171 /nfs/dbraw/zinc/11/61/71/170116171.db2.gz WIFFJOLZODQELI-CYBMUJFWSA-N 3 2 241.423 1.791 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@H+](Cc2cnc(C)cn2)C1 ZINC000061321552 170122976 /nfs/dbraw/zinc/12/29/76/170122976.db2.gz HFJFSCGBACCRDC-GFCCVEGCSA-N 2 2 234.347 1.216 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000061321552 170122978 /nfs/dbraw/zinc/12/29/78/170122978.db2.gz HFJFSCGBACCRDC-GFCCVEGCSA-N 2 2 234.347 1.216 10 0 BDAELP CC[NH2+]Cc1c(-n2cc[nH+]c2)nc2ccccn21 ZINC000035449773 170123554 /nfs/dbraw/zinc/12/35/54/170123554.db2.gz DYMDGDSMWCSNFR-UHFFFAOYSA-N 2 2 241.298 1.630 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@@H+]1CCOC[C@@H]1C ZINC000053858142 170150822 /nfs/dbraw/zinc/15/08/22/170150822.db2.gz ROELUMVACSOCBO-BFHYXJOUSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@@H]1CCCC[C@@H]1C[N@H+]1CCOC[C@@H]1C ZINC000053858142 170150824 /nfs/dbraw/zinc/15/08/24/170150824.db2.gz ROELUMVACSOCBO-BFHYXJOUSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@@H]1CCN(Cc2[nH+]ccn2C)C[C@@H]1C ZINC000071274154 170151733 /nfs/dbraw/zinc/15/17/33/170151733.db2.gz OPXVZADVUULVNV-NWDGAFQWSA-N 2 2 236.363 1.240 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000037241598 170152317 /nfs/dbraw/zinc/15/23/17/170152317.db2.gz PVFYOCZXDPHGMR-CQSZACIVSA-N 2 2 218.344 1.913 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000037241598 170152318 /nfs/dbraw/zinc/15/23/18/170152318.db2.gz PVFYOCZXDPHGMR-CQSZACIVSA-N 2 2 218.344 1.913 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1C[N@H+](C)CCC[NH+](C)C ZINC000104198344 170166617 /nfs/dbraw/zinc/16/66/17/170166617.db2.gz OJICJLZBSRJQSM-KBPBESRZSA-N 3 2 241.423 1.648 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+](C)CCC[NH+](C)C ZINC000104198344 170166619 /nfs/dbraw/zinc/16/66/19/170166619.db2.gz OJICJLZBSRJQSM-KBPBESRZSA-N 3 2 241.423 1.648 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1[N@@H+]1CCCOCC1 ZINC000061918054 170167064 /nfs/dbraw/zinc/16/70/64/170167064.db2.gz RPSMELOLIBSKBX-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1[N@H+]1CCCOCC1 ZINC000061918054 170167065 /nfs/dbraw/zinc/16/70/65/170167065.db2.gz RPSMELOLIBSKBX-NWDGAFQWSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000053866698 170167325 /nfs/dbraw/zinc/16/73/25/170167325.db2.gz ADGLXLPUIQTUMG-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCC[C@H]1C[N@H+]1CCO[C@@H](CC)C1 ZINC000053866698 170167327 /nfs/dbraw/zinc/16/73/27/170167327.db2.gz ADGLXLPUIQTUMG-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP CCOC(=O)CC[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000049555926 170210302 /nfs/dbraw/zinc/21/03/02/170210302.db2.gz URRMRTOMQMXENW-LBPRGKRZSA-N 2 2 244.379 1.506 10 0 BDAELP CCOC(=O)C[N@H+](C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000103923521 170216239 /nfs/dbraw/zinc/21/62/39/170216239.db2.gz XANIEDQHITVDRX-ZYHUDNBSSA-N 2 2 240.347 1.141 10 0 BDAELP CCOC(=O)C[N@@H+](C1CC1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000103923521 170216240 /nfs/dbraw/zinc/21/62/40/170216240.db2.gz XANIEDQHITVDRX-ZYHUDNBSSA-N 2 2 240.347 1.141 10 0 BDAELP CCOC1CC([NH2+][C@@H]2CC[N@H+](CC)C2)C1 ZINC000328325427 170329420 /nfs/dbraw/zinc/32/94/20/170329420.db2.gz FVUSNRGHRJGXPG-VOMCLLRMSA-N 2 2 212.337 1.238 10 0 BDAELP CCOC1CC([NH2+][C@@H]2CC[N@@H+](CC)C2)C1 ZINC000328325427 170329421 /nfs/dbraw/zinc/32/94/21/170329421.db2.gz FVUSNRGHRJGXPG-VOMCLLRMSA-N 2 2 212.337 1.238 10 0 BDAELP CCOC1CC[NH+]([C@@]2(C[NH3+])CCSC2)CC1 ZINC000040689148 170332234 /nfs/dbraw/zinc/33/22/34/170332234.db2.gz GRLPSDXUNSOUTA-GFCCVEGCSA-N 2 2 244.404 1.322 10 0 BDAELP CCOC1CC[NH+]([C@]2(C[NH3+])CCSC2)CC1 ZINC000040689147 170332809 /nfs/dbraw/zinc/33/28/09/170332809.db2.gz GRLPSDXUNSOUTA-LBPRGKRZSA-N 2 2 244.404 1.322 10 0 BDAELP CCOCCCC[NH2+]CC[N@H+](CC)CCOC ZINC000053437005 170369013 /nfs/dbraw/zinc/36/90/13/170369013.db2.gz IXKQLVKCSZFRQQ-UHFFFAOYSA-N 2 2 246.395 1.361 10 0 BDAELP CCOCCCC[NH2+]CC[N@@H+](CC)CCOC ZINC000053437005 170369016 /nfs/dbraw/zinc/36/90/16/170369016.db2.gz IXKQLVKCSZFRQQ-UHFFFAOYSA-N 2 2 246.395 1.361 10 0 BDAELP CC[N@H+]1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616650324 411854651 /nfs/dbraw/zinc/85/46/51/411854651.db2.gz WXSVFRCTQXLVIX-NSHDSACASA-N 2 2 221.304 1.447 10 0 BDAELP C[N@@H+]1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616650836 411890305 /nfs/dbraw/zinc/89/03/05/411890305.db2.gz HSBZGHLHEGDUKC-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCCO[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616650836 411890307 /nfs/dbraw/zinc/89/03/07/411890307.db2.gz HSBZGHLHEGDUKC-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP CC[C@@H](C[NH2+]C(C)C)[NH+](CCOC)CCOC ZINC000052571355 170827671 /nfs/dbraw/zinc/82/76/71/170827671.db2.gz SFEYWZLSZHSXBR-ZDUSSCGKSA-N 2 2 246.395 1.358 10 0 BDAELP CC(C)[N@@H+]1CC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616614832 411873028 /nfs/dbraw/zinc/87/30/28/411873028.db2.gz WQQWWQKIZJUXGR-LLVKDONJSA-N 2 2 205.305 1.862 10 0 BDAELP CC(C)[N@H+]1CC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616614832 411873035 /nfs/dbraw/zinc/87/30/35/411873035.db2.gz WQQWWQKIZJUXGR-LLVKDONJSA-N 2 2 205.305 1.862 10 0 BDAELP Nc1cc([C@H]2CCCC[N@H+](CCO)C2)cc[nH+]1 ZINC000616603934 411950345 /nfs/dbraw/zinc/95/03/45/411950345.db2.gz KHFNKHISMDFPNX-LBPRGKRZSA-N 2 2 235.331 1.226 10 0 BDAELP Nc1cc([C@H]2CCCC[N@@H+](CCO)C2)cc[nH+]1 ZINC000616603934 411950349 /nfs/dbraw/zinc/95/03/49/411950349.db2.gz KHFNKHISMDFPNX-LBPRGKRZSA-N 2 2 235.331 1.226 10 0 BDAELP CC[C@@H]1CN(C2=[NH+]CCS2)[C@H](C)C[NH2+]1 ZINC000083347594 171074434 /nfs/dbraw/zinc/07/44/34/171074434.db2.gz OZOZDJYSLZFQBI-RKDXNWHRSA-N 2 2 213.350 1.162 10 0 BDAELP CC[C@@H]1C[N@H+](Cc2occc2C[NH3+])CCN1C ZINC000110753571 171094856 /nfs/dbraw/zinc/09/48/56/171094856.db2.gz JLVLKQDCJJSWOD-GFCCVEGCSA-N 2 2 237.347 1.264 10 0 BDAELP CC[C@@H]1C[N@@H+](Cc2occc2C[NH3+])CCN1C ZINC000110753571 171094857 /nfs/dbraw/zinc/09/48/57/171094857.db2.gz JLVLKQDCJJSWOD-GFCCVEGCSA-N 2 2 237.347 1.264 10 0 BDAELP CC[C@@H]1COCC[N@H+]1C1(C[NH3+])CCCC1 ZINC000036325943 171105385 /nfs/dbraw/zinc/10/53/85/171105385.db2.gz KKEIUFXAWCMSRP-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C1(C[NH3+])CCCC1 ZINC000042450342 171107626 /nfs/dbraw/zinc/10/76/26/171107626.db2.gz NDSGXIZMGIADOD-NWDGAFQWSA-N 2 2 226.364 1.757 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1C1(C[NH3+])CCCC1 ZINC000042450342 171107627 /nfs/dbraw/zinc/10/76/27/171107627.db2.gz NDSGXIZMGIADOD-NWDGAFQWSA-N 2 2 226.364 1.757 10 0 BDAELP C[N@@H+]1CCC[C@H]1c1nc2c(s1)C[NH2+]C2 ZINC000082374817 173059073 /nfs/dbraw/zinc/05/90/73/173059073.db2.gz NYRPZUUBEKQORT-QMMMGPOBSA-N 2 2 209.318 1.513 10 0 BDAELP C[N@H+]1CCC[C@H]1c1nc2c(s1)C[NH2+]C2 ZINC000082374817 173059076 /nfs/dbraw/zinc/05/90/76/173059076.db2.gz NYRPZUUBEKQORT-QMMMGPOBSA-N 2 2 209.318 1.513 10 0 BDAELP C[NH2+]CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000037006901 173335183 /nfs/dbraw/zinc/33/51/83/173335183.db2.gz LPCDYLISZXAVBH-UHFFFAOYSA-N 2 2 230.271 1.030 10 0 BDAELP C[NH2+]C[C@H](C(C)C)[NH+]1CCSCC1 ZINC000052425429 173373433 /nfs/dbraw/zinc/37/34/33/173373433.db2.gz PLUNLJNWDPQCSM-SNVBAGLBSA-N 2 2 202.367 1.279 10 0 BDAELP COc1ccc(CC[NH2+]CC[NH+]2CCCC2)cc1 ZINC000041582132 175091357 /nfs/dbraw/zinc/09/13/57/175091357.db2.gz FCAKWWXLJLPWCZ-UHFFFAOYSA-N 2 2 248.370 1.923 10 0 BDAELP COc1ccc(C[NH2+]CC[NH3+])cc1OC(F)F ZINC000037712254 175106993 /nfs/dbraw/zinc/10/69/93/175106993.db2.gz CHPNHXUJOMJIOT-UHFFFAOYSA-N 2 2 246.257 1.345 10 0 BDAELP COc1ccc(C[C@@H]([NH3+])C[NH+](C)C)cc1OC ZINC000071548921 175115623 /nfs/dbraw/zinc/11/56/23/175115623.db2.gz AZHCJWMTDVCRHO-LLVKDONJSA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc(C[C@H](C[NH3+])[NH+](C)C)cc1OC ZINC000041280501 175117063 /nfs/dbraw/zinc/11/70/63/175117063.db2.gz LECSZLFRDMZZOJ-LLVKDONJSA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc([C@H]([NH3+])C[NH3+])cc1Cl ZINC000044471898 175192161 /nfs/dbraw/zinc/19/21/61/175192161.db2.gz BQIJRRZUKFQCAU-MRVPVSSYSA-N 2 2 200.669 1.307 10 0 BDAELP COc1ccc2cc([C@@H]([NH3+])C[NH3+])ccc2c1 ZINC000035677052 175225062 /nfs/dbraw/zinc/22/50/62/175225062.db2.gz HVXKEWXXBSBKSX-ZDUSSCGKSA-N 2 2 216.284 1.807 10 0 BDAELP COc1cccc([C@H]([C@@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000043028753 175295897 /nfs/dbraw/zinc/29/58/97/175295897.db2.gz GKWRMOWNVPNADO-MFKMUULPSA-N 2 2 231.299 1.828 10 0 BDAELP COc1ccccc1[C@H]([NH3+])Cn1cc[nH+]c1 ZINC000038808998 175353345 /nfs/dbraw/zinc/35/33/45/175353345.db2.gz BVGDTEVVTJOUNI-LLVKDONJSA-N 2 2 217.272 1.592 10 0 BDAELP C[C@@H]1CCC[N@@H+]1[C@@H](C[NH3+])c1ccccn1 ZINC000037910325 176110428 /nfs/dbraw/zinc/11/04/28/176110428.db2.gz VDDWXKQWIAGAJR-PWSUYJOCSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H]1CCC[N@H+]1[C@@H](C[NH3+])c1ccccn1 ZINC000037910325 176110430 /nfs/dbraw/zinc/11/04/30/176110430.db2.gz VDDWXKQWIAGAJR-PWSUYJOCSA-N 2 2 205.305 1.566 10 0 BDAELP C[C@@H]1CCC[C@](C[NH3+])(N2CCn3cc[nH+]c3C2)C1 ZINC000062249338 176152048 /nfs/dbraw/zinc/15/20/48/176152048.db2.gz RCGZZURRNKIRLK-OCCSQVGLSA-N 2 2 248.374 1.606 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2ccccn2)CC[NH2+]1 ZINC000049662110 176175755 /nfs/dbraw/zinc/17/57/55/176175755.db2.gz CWXBLNUETLRXKL-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2ccccn2)CC[NH2+]1 ZINC000049662110 176175756 /nfs/dbraw/zinc/17/57/56/176175756.db2.gz CWXBLNUETLRXKL-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@@H+]1CCOc1ccccc1 ZINC000062617317 176184655 /nfs/dbraw/zinc/18/46/55/176184655.db2.gz YIOJNCDTUNUICU-CYBMUJFWSA-N 2 2 234.343 1.749 10 0 BDAELP C[C@@H]1CC[NH2+]CC[N@H+]1CCOc1ccccc1 ZINC000062617317 176184656 /nfs/dbraw/zinc/18/46/56/176184656.db2.gz YIOJNCDTUNUICU-CYBMUJFWSA-N 2 2 234.343 1.749 10 0 BDAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1Cc1ncccn1 ZINC000054460296 176202607 /nfs/dbraw/zinc/20/26/07/176202607.db2.gz AMZXIBDOSNOIKW-MNOVXSKESA-N 2 2 220.320 1.036 10 0 BDAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1Cc1ncccn1 ZINC000054460296 176202608 /nfs/dbraw/zinc/20/26/08/176202608.db2.gz AMZXIBDOSNOIKW-MNOVXSKESA-N 2 2 220.320 1.036 10 0 BDAELP C[C@@H]1C[NH+](C2(C[NH3+])CCSCC2)C[C@@H](C)O1 ZINC000042334906 176281013 /nfs/dbraw/zinc/28/10/13/176281013.db2.gz VMAMFUGCWMBGTK-GHMZBOCLSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000124619900 176292856 /nfs/dbraw/zinc/29/28/56/176292856.db2.gz GNZYLJKPDBXNRA-UPJWGTAASA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000124619900 176292858 /nfs/dbraw/zinc/29/28/58/176292858.db2.gz GNZYLJKPDBXNRA-UPJWGTAASA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc[nH+]c(N)c1 ZINC000094465224 176323057 /nfs/dbraw/zinc/32/30/57/176323057.db2.gz MEKZHBMUAFOUMJ-DGCLKSJQSA-N 2 2 246.358 1.332 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc[nH+]c(N)c1 ZINC000094465224 176323059 /nfs/dbraw/zinc/32/30/59/176323059.db2.gz MEKZHBMUAFOUMJ-DGCLKSJQSA-N 2 2 246.358 1.332 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)C[N@@H+]1C1CC1 ZINC000119140431 176374762 /nfs/dbraw/zinc/37/47/62/176374762.db2.gz JNPKNXWNNOGZCA-DGCLKSJQSA-N 2 2 238.375 1.628 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)C[N@H+]1C1CC1 ZINC000119140431 176374765 /nfs/dbraw/zinc/37/47/65/176374765.db2.gz 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Cc1conc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000720397014 711683995 /nfs/dbraw/zinc/68/39/95/711683995.db2.gz UNWWGNVTNQJDQK-WCBMZHEXSA-N 2 2 209.293 1.010 10 0 BDAELP CC[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709755566 712217398 /nfs/dbraw/zinc/21/73/98/712217398.db2.gz PBHSVAAWWKHQFV-MRVPVSSYSA-N 2 2 225.361 1.758 10 0 BDAELP CC[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000709755566 712217399 /nfs/dbraw/zinc/21/73/99/712217399.db2.gz PBHSVAAWWKHQFV-MRVPVSSYSA-N 2 2 225.361 1.758 10 0 BDAELP C[C@H]1C[N@H+](Cc2nccn2C2CC2)C[C@H]1C[NH3+] ZINC000711727458 712323098 /nfs/dbraw/zinc/32/30/98/712323098.db2.gz YBLDCBZWVALXHJ-WDEREUQCSA-N 2 2 234.347 1.245 10 0 BDAELP C[C@H]1C[N@@H+](Cc2nccn2C2CC2)C[C@H]1C[NH3+] ZINC000711727458 712323101 /nfs/dbraw/zinc/32/31/01/712323101.db2.gz YBLDCBZWVALXHJ-WDEREUQCSA-N 2 2 234.347 1.245 10 0 BDAELP CCC1([NH3+])CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000714756669 712497725 /nfs/dbraw/zinc/49/77/25/712497725.db2.gz DVCYOSANCCTZEM-LLVKDONJSA-N 2 2 234.347 1.741 10 0 BDAELP CCC1([NH3+])CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000714756052 712498004 /nfs/dbraw/zinc/49/80/04/712498004.db2.gz DZOCMKWHLGFHTC-UHFFFAOYSA-N 3 2 225.380 1.284 10 0 BDAELP Cc1conc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000720397023 712838315 /nfs/dbraw/zinc/83/83/15/712838315.db2.gz UNWWGNVTNQJDQK-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1conc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000720397023 712838317 /nfs/dbraw/zinc/83/83/17/712838317.db2.gz UNWWGNVTNQJDQK-WPRPVWTQSA-N 2 2 209.293 1.010 10 0 BDAELP Cc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)nc[nH+]1 ZINC000257697062 349471863 /nfs/dbraw/zinc/47/18/63/349471863.db2.gz KKQQFGFJLASTMO-CYBMUJFWSA-N 2 2 232.331 1.365 10 0 BDAELP COc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396715107 398167226 /nfs/dbraw/zinc/16/72/26/398167226.db2.gz SPGJTCMFDHMOEE-AAEUAGOBSA-N 2 2 234.343 1.925 10 0 BDAELP Cc1cc([NH3+])ccc1N[C@H]1CC[N@@H+](C)C1 ZINC000042544936 178106581 /nfs/dbraw/zinc/10/65/81/178106581.db2.gz YVSFVLAWRFXQDY-NSHDSACASA-N 2 2 205.305 1.693 10 0 BDAELP Cc1cc([NH3+])ccc1N[C@H]1CC[N@H+](C)C1 ZINC000042544936 178106583 /nfs/dbraw/zinc/10/65/83/178106583.db2.gz YVSFVLAWRFXQDY-NSHDSACASA-N 2 2 205.305 1.693 10 0 BDAELP Cc1cc([C@@H]2CCC[NH2+]2)nc(-n2cc[nH+]c2)n1 ZINC000071624361 178239341 /nfs/dbraw/zinc/23/93/41/178239341.db2.gz HYCHFVUWHCJNFC-JTQLQIEISA-N 2 2 229.287 1.395 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccccn2)c[nH+]1 ZINC000177993415 538952563 /nfs/dbraw/zinc/95/25/63/538952563.db2.gz CDXNGXIAGFYKAT-AWEZNQCLSA-N 2 2 242.326 1.943 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccccn2)c[nH+]1 ZINC000177993415 538952565 /nfs/dbraw/zinc/95/25/65/538952565.db2.gz CDXNGXIAGFYKAT-AWEZNQCLSA-N 2 2 242.326 1.943 10 0 BDAELP CC[C@](C)(C[NH3+])[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000035783572 342759035 /nfs/dbraw/zinc/75/90/35/342759035.db2.gz XFRVCCYHDIGNSV-GARJFASQSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@](C)(C[NH3+])[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000035783572 342759037 /nfs/dbraw/zinc/75/90/37/342759037.db2.gz XFRVCCYHDIGNSV-GARJFASQSA-N 2 2 200.326 1.223 10 0 BDAELP c1[nH+]cn(Cc2ccccc2)c1[C@H]1C[NH2+]CCO1 ZINC000097007739 344004093 /nfs/dbraw/zinc/00/40/93/344004093.db2.gz MPCPHUKHVZHGAW-CQSZACIVSA-N 2 2 243.310 1.592 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335622170 136239922 /nfs/dbraw/zinc/23/99/22/136239922.db2.gz BMCHWMKAGYYZNO-NEPJUHHUSA-N 2 2 234.347 1.258 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCCOC)C1 ZINC000390505599 539022772 /nfs/dbraw/zinc/02/27/72/539022772.db2.gz WTYFIZSWNQHWMK-YNEHKIRRSA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCCOC)C1 ZINC000390505599 539022774 /nfs/dbraw/zinc/02/27/74/539022774.db2.gz WTYFIZSWNQHWMK-YNEHKIRRSA-N 2 2 228.380 1.731 10 0 BDAELP CC(C)[NH+]1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC000020521642 342989489 /nfs/dbraw/zinc/98/94/89/342989489.db2.gz WUQMGAHXDZHBMT-UHFFFAOYSA-N 3 2 225.380 1.282 10 0 BDAELP CCc1cnc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000400513640 529654110 /nfs/dbraw/zinc/65/41/10/529654110.db2.gz GBCGTUMWZPFNTD-ZJUUUORDSA-N 2 2 239.388 1.793 10 0 BDAELP C1C[NH2+]C[C@H]([N@@H+]2CCCSCC2)C1 ZINC000043501458 343098829 /nfs/dbraw/zinc/09/88/29/343098829.db2.gz UUMGKVMOJMIBEC-SNVBAGLBSA-N 2 2 200.351 1.177 10 0 BDAELP C1C[NH2+]C[C@H]([N@H+]2CCCSCC2)C1 ZINC000043501458 343098830 /nfs/dbraw/zinc/09/88/30/343098830.db2.gz UUMGKVMOJMIBEC-SNVBAGLBSA-N 2 2 200.351 1.177 10 0 BDAELP C1C[NH2+]C[C@@H]([N@@H+]2CCCSCC2)C1 ZINC000043501457 343098878 /nfs/dbraw/zinc/09/88/78/343098878.db2.gz UUMGKVMOJMIBEC-JTQLQIEISA-N 2 2 200.351 1.177 10 0 BDAELP C1C[NH2+]C[C@@H]([N@H+]2CCCSCC2)C1 ZINC000043501457 343098879 /nfs/dbraw/zinc/09/88/79/343098879.db2.gz UUMGKVMOJMIBEC-JTQLQIEISA-N 2 2 200.351 1.177 10 0 BDAELP C[N@H+](CCC[NH2+]C1COC1)C1CCCCC1 ZINC000082488128 136276799 /nfs/dbraw/zinc/27/67/99/136276799.db2.gz ZEJVJOLSDCIFBQ-UHFFFAOYSA-N 2 2 226.364 1.629 10 0 BDAELP C[N@@H+](CCC[NH2+]C1COC1)C1CCCCC1 ZINC000082488128 136276800 /nfs/dbraw/zinc/27/68/00/136276800.db2.gz ZEJVJOLSDCIFBQ-UHFFFAOYSA-N 2 2 226.364 1.629 10 0 BDAELP C[C@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@@]12[NH3+] ZINC000238446215 343257061 /nfs/dbraw/zinc/25/70/61/343257061.db2.gz HXQPSZLCWXFUED-CYZMBNFOSA-N 2 2 202.301 1.466 10 0 BDAELP C[C@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]12[NH3+] ZINC000238446215 343257063 /nfs/dbraw/zinc/25/70/63/343257063.db2.gz HXQPSZLCWXFUED-CYZMBNFOSA-N 2 2 202.301 1.466 10 0 BDAELP CC[C@@H]([NH3+])c1cn(Cc2[nH+]ccn2C(C)C)nn1 ZINC000641051791 362161424 /nfs/dbraw/zinc/16/14/24/362161424.db2.gz RUKYZLOZAHQDAJ-SNVBAGLBSA-N 2 2 248.334 1.514 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@H]1c1cn[nH]c1 ZINC000616625650 343525779 /nfs/dbraw/zinc/52/57/79/343525779.db2.gz SFKSGFNBWYFJHP-NSHDSACASA-N 2 2 208.309 1.286 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@H]1c1cn[nH]c1 ZINC000616625650 343525780 /nfs/dbraw/zinc/52/57/80/343525780.db2.gz SFKSGFNBWYFJHP-NSHDSACASA-N 2 2 208.309 1.286 10 0 BDAELP CNc1cc(N(C)C2CC[NH+](C)CC2)nc[nH+]1 ZINC000127814969 343787283 /nfs/dbraw/zinc/78/72/83/343787283.db2.gz HIKSLTMYMJRQPL-UHFFFAOYSA-N 2 2 235.335 1.049 10 0 BDAELP CNc1cc(N(C)C2CC[NH+](C)CC2)[nH+]cn1 ZINC000127814969 343787285 /nfs/dbraw/zinc/78/72/85/343787285.db2.gz HIKSLTMYMJRQPL-UHFFFAOYSA-N 2 2 235.335 1.049 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])C[N@H+](C[Si](C)(C)C)C1 ZINC000401868968 343917235 /nfs/dbraw/zinc/91/72/35/343917235.db2.gz VBSWPIJILSGIHJ-ZJUUUORDSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])C[N@@H+](C[Si](C)(C)C)C1 ZINC000401868968 343917238 /nfs/dbraw/zinc/91/72/38/343917238.db2.gz VBSWPIJILSGIHJ-ZJUUUORDSA-N 2 2 200.402 1.533 10 0 BDAELP CC(C)c1nc(N(C)[C@H](C)C[NH3+])cc[nH+]1 ZINC000107207212 344480804 /nfs/dbraw/zinc/48/08/04/344480804.db2.gz PGVMSGVUPHDXPT-SECBINFHSA-N 2 2 208.309 1.383 10 0 BDAELP CCOc1c(F)cc([C@H]([NH3+])C[NH3+])cc1Cl ZINC000044475064 345090928 /nfs/dbraw/zinc/09/09/28/345090928.db2.gz KRVCNQLWQHLZBG-SECBINFHSA-N 2 2 232.686 1.836 10 0 BDAELP C[C@@H]1CCn2cc(C3CC[NH2+]CC3)[nH+]c2C1 ZINC000258761403 345786019 /nfs/dbraw/zinc/78/60/19/345786019.db2.gz ZYXBBGMFNCTMCW-SNVBAGLBSA-N 2 2 219.332 1.932 10 0 BDAELP CC[N@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378615 537969443 /nfs/dbraw/zinc/96/94/43/537969443.db2.gz JFHFPWIHLQGPPO-STQMWFEESA-N 3 2 227.396 1.149 10 0 BDAELP CC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378615 537969448 /nfs/dbraw/zinc/96/94/48/537969448.db2.gz JFHFPWIHLQGPPO-STQMWFEESA-N 3 2 227.396 1.149 10 0 BDAELP Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000061989872 179059914 /nfs/dbraw/zinc/05/99/14/179059914.db2.gz CVYVDEBLZXYNEG-CQSZACIVSA-N 2 2 218.344 1.831 10 0 BDAELP Cc1cccc(CC[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000061989872 179059918 /nfs/dbraw/zinc/05/99/18/179059918.db2.gz CVYVDEBLZXYNEG-CQSZACIVSA-N 2 2 218.344 1.831 10 0 BDAELP COc1ccc[nH+]c1N1CCC(C[NH3+])CC1 ZINC000160179281 346443466 /nfs/dbraw/zinc/44/34/66/346443466.db2.gz ZUDMJBJPVZAGBQ-UHFFFAOYSA-N 2 2 221.304 1.265 10 0 BDAELP CCC(F)(F)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000641824674 362774433 /nfs/dbraw/zinc/77/44/33/362774433.db2.gz XDTNDQIXAIXNSH-BDAKNGLRSA-N 2 2 206.280 1.558 10 0 BDAELP CCC(F)(F)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000641824674 362774436 /nfs/dbraw/zinc/77/44/36/362774436.db2.gz XDTNDQIXAIXNSH-BDAKNGLRSA-N 2 2 206.280 1.558 10 0 BDAELP Cc1cccc([C@@H](C[NH3+])[NH+]2CCC(O)CC2)c1 ZINC000020178960 179184481 /nfs/dbraw/zinc/18/44/81/179184481.db2.gz PAIPBWRQUPSHDR-CQSZACIVSA-N 2 2 234.343 1.452 10 0 BDAELP C[NH2+][C@H]1CC[N@H+](C[C@H]2CCCS2)C1 ZINC000250697245 362817094 /nfs/dbraw/zinc/81/70/94/362817094.db2.gz BTJANXBKQUESSY-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCS2)C1 ZINC000250697245 362817101 /nfs/dbraw/zinc/81/71/01/362817101.db2.gz BTJANXBKQUESSY-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCCC2=O)C1 ZINC000250769110 362819915 /nfs/dbraw/zinc/81/99/15/362819915.db2.gz UGRQPHDEBWEZCF-MNOVXSKESA-N 2 2 210.321 1.039 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCCC2=O)C1 ZINC000250769110 362819920 /nfs/dbraw/zinc/81/99/20/362819920.db2.gz UGRQPHDEBWEZCF-MNOVXSKESA-N 2 2 210.321 1.039 10 0 BDAELP C[C@H](C[NH2+]CC[NH+](C)C)c1ccccc1 ZINC000020083529 347406365 /nfs/dbraw/zinc/40/63/65/347406365.db2.gz KCMZESDPERHUMC-GFCCVEGCSA-N 2 2 206.333 1.941 10 0 BDAELP COC[C@H](C)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000390644877 259396471 /nfs/dbraw/zinc/39/64/71/259396471.db2.gz NPRYWDVCUYKZQQ-ZJUUUORDSA-N 2 2 223.320 1.139 10 0 BDAELP COC[C@H](C)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000390644877 259396472 /nfs/dbraw/zinc/39/64/72/259396472.db2.gz NPRYWDVCUYKZQQ-ZJUUUORDSA-N 2 2 223.320 1.139 10 0 BDAELP Cc1ccccc1C[N@H+](CC[NH3+])C[C@H]1CCCO1 ZINC000032103942 179271889 /nfs/dbraw/zinc/27/18/89/179271889.db2.gz GPANQMPQLINUGV-OAHLLOKOSA-N 2 2 248.370 1.935 10 0 BDAELP Cc1ccccc1C[N@@H+](CC[NH3+])C[C@H]1CCCO1 ZINC000032103942 179271891 /nfs/dbraw/zinc/27/18/91/179271891.db2.gz GPANQMPQLINUGV-OAHLLOKOSA-N 2 2 248.370 1.935 10 0 BDAELP Cc1ccccc1Cn1cc[nH+]c1CC[NH3+] ZINC000052304153 179294993 /nfs/dbraw/zinc/29/49/93/179294993.db2.gz QPKOLRHXNUDTQI-UHFFFAOYSA-N 2 2 215.300 1.741 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC000251837155 362932838 /nfs/dbraw/zinc/93/28/38/362932838.db2.gz QBKGJVSBKYXGOS-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC000251837155 362932840 /nfs/dbraw/zinc/93/28/40/362932840.db2.gz QBKGJVSBKYXGOS-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP Cc1[nH+]c2ccccc2n1CCOCC[NH3+] ZINC000057798898 180103335 /nfs/dbraw/zinc/10/33/35/180103335.db2.gz BLEPVHXRONYLTP-UHFFFAOYSA-N 2 2 219.288 1.320 10 0 BDAELP Cc1[nH+]c2ccccc2n1CC[NH+](C)C ZINC000075972819 180103823 /nfs/dbraw/zinc/10/38/23/180103823.db2.gz WQYNEUJFMUEPSS-UHFFFAOYSA-N 2 2 203.289 1.906 10 0 BDAELP Cc1nccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000054790810 180189941 /nfs/dbraw/zinc/18/99/41/180189941.db2.gz DARDBTSRCIVCPL-ZDUSSCGKSA-N 2 2 248.374 1.605 10 0 BDAELP Cc1nccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000054790810 180189942 /nfs/dbraw/zinc/18/99/42/180189942.db2.gz DARDBTSRCIVCPL-ZDUSSCGKSA-N 2 2 248.374 1.605 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2CC2CCOCC2)c[nH+]1 ZINC000163165915 350508647 /nfs/dbraw/zinc/50/86/47/350508647.db2.gz FSXLPOYESAFWPC-CQSZACIVSA-N 2 2 249.358 1.774 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2CC2CCOCC2)c[nH+]1 ZINC000163165915 350508652 /nfs/dbraw/zinc/50/86/52/350508652.db2.gz FSXLPOYESAFWPC-CQSZACIVSA-N 2 2 249.358 1.774 10 0 BDAELP [NH3+]C[C@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616599293 350742201 /nfs/dbraw/zinc/74/22/01/350742201.db2.gz JQONJTGADDASTL-ZDUSSCGKSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]C[C@H]1COCCC[N@H+]1Cc1ccccc1 ZINC000616599293 350742203 /nfs/dbraw/zinc/74/22/03/350742203.db2.gz JQONJTGADDASTL-ZDUSSCGKSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](C(F)(F)F)CC1 ZINC000616602548 350791840 /nfs/dbraw/zinc/79/18/40/350791840.db2.gz ZOBJWKYRHDCGIJ-MRVPVSSYSA-N 2 2 210.243 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](C(F)(F)F)CC1 ZINC000616602548 350791844 /nfs/dbraw/zinc/79/18/44/350791844.db2.gz ZOBJWKYRHDCGIJ-MRVPVSSYSA-N 2 2 210.243 1.610 10 0 BDAELP [NH3+][C@@H]1CCC[N@H+](CC[C@H]2CCCC2=O)C1 ZINC000250654853 350884194 /nfs/dbraw/zinc/88/41/94/350884194.db2.gz NOLRCAMIIKMOOJ-GHMZBOCLSA-N 2 2 210.321 1.169 10 0 BDAELP [NH3+][C@@H]1CCC[N@@H+](CC[C@H]2CCCC2=O)C1 ZINC000250654853 350884198 /nfs/dbraw/zinc/88/41/98/350884198.db2.gz NOLRCAMIIKMOOJ-GHMZBOCLSA-N 2 2 210.321 1.169 10 0 BDAELP CNc1cccc([C@H]2CCC[N@H+](CC[NH3+])C2)c1 ZINC000616621502 351041123 /nfs/dbraw/zinc/04/11/23/351041123.db2.gz QGTRNNNDYXBILT-ZDUSSCGKSA-N 2 2 233.359 1.866 10 0 BDAELP CNc1cccc([C@H]2CCC[N@@H+](CC[NH3+])C2)c1 ZINC000616621502 351041126 /nfs/dbraw/zinc/04/11/26/351041126.db2.gz QGTRNNNDYXBILT-ZDUSSCGKSA-N 2 2 233.359 1.866 10 0 BDAELP Cc1[nH]c(C[NH2+][C@H]2CCCSC2)c[nH+]1 ZINC000129233602 351014184 /nfs/dbraw/zinc/01/41/84/351014184.db2.gz UYCCTWPUWBSDQS-VIFPVBQESA-N 2 2 211.334 1.703 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H](c2ccno2)C1 ZINC000616629803 351100890 /nfs/dbraw/zinc/10/08/90/351100890.db2.gz QIAZIPNFRQQKLU-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H](c2ccno2)C1 ZINC000616629803 351100893 /nfs/dbraw/zinc/10/08/93/351100893.db2.gz QIAZIPNFRQQKLU-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP CNC(=[NH2+])N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000306832429 351145133 /nfs/dbraw/zinc/14/51/33/351145133.db2.gz MEFZFOULJWRSLJ-LBPRGKRZSA-N 2 2 246.358 1.347 10 0 BDAELP CNC(=[NH2+])N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000306832429 351145137 /nfs/dbraw/zinc/14/51/37/351145137.db2.gz MEFZFOULJWRSLJ-LBPRGKRZSA-N 2 2 246.358 1.347 10 0 BDAELP CNC(=[NH2+])N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000306832428 351145439 /nfs/dbraw/zinc/14/54/39/351145439.db2.gz MEFZFOULJWRSLJ-GFCCVEGCSA-N 2 2 246.358 1.347 10 0 BDAELP CNC(=[NH2+])N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000306832428 351145441 /nfs/dbraw/zinc/14/54/41/351145441.db2.gz MEFZFOULJWRSLJ-GFCCVEGCSA-N 2 2 246.358 1.347 10 0 BDAELP CC(C)(C)[N@@H+]1CCO[C@H](n2cc[nH+]c2)C1 ZINC000616648083 351175626 /nfs/dbraw/zinc/17/56/26/351175626.db2.gz OIOOPMQNWJVFCF-JTQLQIEISA-N 2 2 209.293 1.512 10 0 BDAELP CC(C)(C)[N@H+]1CCO[C@H](n2cc[nH+]c2)C1 ZINC000616648083 351175628 /nfs/dbraw/zinc/17/56/28/351175628.db2.gz OIOOPMQNWJVFCF-JTQLQIEISA-N 2 2 209.293 1.512 10 0 BDAELP Nc1cccc(-c2ccc(CC[NH3+])cc2)[nH+]1 ZINC000137070663 351290431 /nfs/dbraw/zinc/29/04/31/351290431.db2.gz IEXLTLFFAZEUTQ-UHFFFAOYSA-N 2 2 213.284 1.832 10 0 BDAELP CC1(C)SC[C@H]1[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000307071787 351465966 /nfs/dbraw/zinc/46/59/66/351465966.db2.gz XOVUJUOCAYJOHL-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP CC1(C)SC[C@H]1[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000307071787 351465970 /nfs/dbraw/zinc/46/59/70/351465970.db2.gz XOVUJUOCAYJOHL-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]([C@H]1CCC[NH2+]1)[NH+]1CCSCC1 ZINC000307188248 351590702 /nfs/dbraw/zinc/59/07/02/351590702.db2.gz WSBGCKYJXZLIOP-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP C[NH2+][C@]1(CO)CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000307262141 351808694 /nfs/dbraw/zinc/80/86/94/351808694.db2.gz RKFXXEBUWPUUGD-OCCSQVGLSA-N 2 2 234.343 1.231 10 0 BDAELP C[NH2+][C@]1(CO)CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000307262141 351808697 /nfs/dbraw/zinc/80/86/97/351808697.db2.gz RKFXXEBUWPUUGD-OCCSQVGLSA-N 2 2 234.343 1.231 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1CCO[C@H](C)[C@@H]1C ZINC000307601613 352667800 /nfs/dbraw/zinc/66/78/00/352667800.db2.gz VCDDVEGYCZDYFD-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000307601613 352667803 /nfs/dbraw/zinc/66/78/03/352667803.db2.gz VCDDVEGYCZDYFD-AXFHLTTASA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+]1CCO[C@@H](C)C1 ZINC000019508095 187825432 /nfs/dbraw/zinc/82/54/32/187825432.db2.gz PQKOMWCJGRTMLJ-RYUDHWBXSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)C[C@@](C)(C[NH3+])[N@H+]1CCO[C@@H](C)C1 ZINC000019508095 187825433 /nfs/dbraw/zinc/82/54/33/187825433.db2.gz PQKOMWCJGRTMLJ-RYUDHWBXSA-N 2 2 214.353 1.471 10 0 BDAELP C[C@@H]1CCC[C@H](C[NH3+])[N@@H+]1C1CSC1 ZINC000307663082 352748304 /nfs/dbraw/zinc/74/83/04/352748304.db2.gz IKXWFDBYQSLAQG-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1CCC[C@H](C[NH3+])[N@H+]1C1CSC1 ZINC000307663082 352748307 /nfs/dbraw/zinc/74/83/07/352748307.db2.gz IKXWFDBYQSLAQG-RKDXNWHRSA-N 2 2 200.351 1.304 10 0 BDAELP CC[C@@H]1CC[NH2+][C@H]([C@](C)(F)[C@@H](C)[NH3+])C1 ZINC000307738217 353122261 /nfs/dbraw/zinc/12/22/61/353122261.db2.gz WHOXIXUPOIFJBN-CHWFTXMASA-N 2 2 202.317 1.840 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C[N@@H+]1C1CC1 ZINC000121603797 324019020 /nfs/dbraw/zinc/01/90/20/324019020.db2.gz OQGDWLYINSQFEX-HNCHTBHHSA-N 2 2 224.348 1.379 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C[N@H+]1C1CC1 ZINC000121603797 324019025 /nfs/dbraw/zinc/01/90/25/324019025.db2.gz OQGDWLYINSQFEX-HNCHTBHHSA-N 2 2 224.348 1.379 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000336774979 353429075 /nfs/dbraw/zinc/42/90/75/353429075.db2.gz XRHZJXMVYQQRST-STQMWFEESA-N 2 2 228.380 1.874 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)COC(C)C)C1 ZINC000336774979 353429077 /nfs/dbraw/zinc/42/90/77/353429077.db2.gz XRHZJXMVYQQRST-STQMWFEESA-N 2 2 228.380 1.874 10 0 BDAELP Fc1ccccc1-n1cc[nH+]c1N1CC[NH2+]CC1 ZINC000011920172 181009911 /nfs/dbraw/zinc/00/99/11/181009911.db2.gz BJCILBRYXOSJPP-UHFFFAOYSA-N 2 2 246.289 1.421 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000308113814 354014421 /nfs/dbraw/zinc/01/44/21/354014421.db2.gz SYTNTTMSPHNGSO-SZGBIDFHSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C/Cl)C[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC000308113814 354014425 /nfs/dbraw/zinc/01/44/25/354014425.db2.gz SYTNTTMSPHNGSO-SZGBIDFHSA-N 2 2 202.729 1.798 10 0 BDAELP NC(=[NH2+])SC[C@H]1C[NH+]=C(N2CCCC2)S1 ZINC000004110865 181192850 /nfs/dbraw/zinc/19/28/50/181192850.db2.gz SQWIQKXKQHCUOP-SSDOTTSWSA-N 2 2 244.389 1.180 10 0 BDAELP NC(=[NH2+])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000019440086 181195171 /nfs/dbraw/zinc/19/51/71/181195171.db2.gz WSCFWOQAZJMJLU-UHFFFAOYSA-N 2 2 200.245 1.215 10 0 BDAELP C[C@H]([NH3+])C[NH+]1CCC(c2nccs2)CC1 ZINC000336170994 134114937 /nfs/dbraw/zinc/11/49/37/134114937.db2.gz UIYYPKXWAVQRRT-VIFPVBQESA-N 2 2 225.361 1.670 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000389485969 356692029 /nfs/dbraw/zinc/69/20/29/356692029.db2.gz YMDOCQKMWJJFTE-KGLIPLIRSA-N 2 2 240.391 1.611 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000389485969 356692033 /nfs/dbraw/zinc/69/20/33/356692033.db2.gz YMDOCQKMWJJFTE-KGLIPLIRSA-N 2 2 240.391 1.611 10 0 BDAELP C[N@H+](C1CCCCC1)[C@@H]1CC[NH2+]C[C@H]1F ZINC000685948375 538890409 /nfs/dbraw/zinc/89/04/09/538890409.db2.gz KZEKDVNQUXCRPN-VXGBXAGGSA-N 2 2 214.328 1.951 10 0 BDAELP C[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+]C[C@H]1F ZINC000685948375 538890412 /nfs/dbraw/zinc/89/04/12/538890412.db2.gz KZEKDVNQUXCRPN-VXGBXAGGSA-N 2 2 214.328 1.951 10 0 BDAELP c1c[nH+]c(CN2CCC[N@@H+](C3CC3)CC2)[nH]1 ZINC000172541853 134268041 /nfs/dbraw/zinc/26/80/41/134268041.db2.gz DDLUIXRZQJFWGU-UHFFFAOYSA-N 2 2 220.320 1.080 10 0 BDAELP c1c[nH+]c(CN2CCC[N@H+](C3CC3)CC2)[nH]1 ZINC000172541853 134268042 /nfs/dbraw/zinc/26/80/42/134268042.db2.gz DDLUIXRZQJFWGU-UHFFFAOYSA-N 2 2 220.320 1.080 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CCCO ZINC000052762397 358792817 /nfs/dbraw/zinc/79/28/17/358792817.db2.gz JMNYTPRFCRUENL-CYBMUJFWSA-N 2 2 237.347 1.428 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CCCO ZINC000052762397 358792821 /nfs/dbraw/zinc/79/28/21/358792821.db2.gz JMNYTPRFCRUENL-CYBMUJFWSA-N 2 2 237.347 1.428 10 0 BDAELP OCCC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000052762779 358793425 /nfs/dbraw/zinc/79/34/25/358793425.db2.gz LQRKRJVALMWLLP-GFCCVEGCSA-N 2 2 223.320 1.120 10 0 BDAELP OCCC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000052762779 358793430 /nfs/dbraw/zinc/79/34/30/358793430.db2.gz LQRKRJVALMWLLP-GFCCVEGCSA-N 2 2 223.320 1.120 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(F)CC2)C1 ZINC000308570107 491137055 /nfs/dbraw/zinc/13/70/55/491137055.db2.gz BTAWDDOGPBGJHA-VHSXEESVSA-N 2 2 200.301 1.418 10 0 BDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1cc[nH+]c(C)n1 ZINC000246496221 359126431 /nfs/dbraw/zinc/12/64/31/359126431.db2.gz RRBQDKASORYAHX-STQMWFEESA-N 2 2 246.358 1.848 10 0 BDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1cc[nH+]c(C)n1 ZINC000246496221 359126434 /nfs/dbraw/zinc/12/64/34/359126434.db2.gz RRBQDKASORYAHX-STQMWFEESA-N 2 2 246.358 1.848 10 0 BDAELP CC(C)C[C@@H](C[NH2+]C1CCC([NH3+])CC1)[NH+](C)C ZINC000094075594 360295520 /nfs/dbraw/zinc/29/55/20/360295520.db2.gz WSNQVSNIYLRJMT-RUXDESIVSA-N 3 2 241.423 1.822 10 0 BDAELP Cc1[nH]c(C[NH2+][C@H]2CSC[C@H]2C)c[nH+]1 ZINC000306533300 360394348 /nfs/dbraw/zinc/39/43/48/360394348.db2.gz CSMQPZXJTFWYBH-XCBNKYQSSA-N 2 2 211.334 1.559 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908680 361015334 /nfs/dbraw/zinc/01/53/34/361015334.db2.gz YNYOYOAUXDIXQK-RNJXMRFFSA-N 2 2 201.339 1.137 10 0 BDAELP C[C@@H](C(N)=[NH2+])[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000069908680 361015339 /nfs/dbraw/zinc/01/53/39/361015339.db2.gz YNYOYOAUXDIXQK-RNJXMRFFSA-N 2 2 201.339 1.137 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cccc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630361898 364080599 /nfs/dbraw/zinc/08/05/99/364080599.db2.gz NMFGUYXGGFECGB-GJZGRUSLSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cccc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630361898 364080605 /nfs/dbraw/zinc/08/06/05/364080605.db2.gz NMFGUYXGGFECGB-GJZGRUSLSA-N 2 2 248.370 1.933 10 0 BDAELP C[C@@H]1C[C@@H]([NH3+])CN1c1[nH]c2ccccc2[nH+]1 ZINC000630558284 364257840 /nfs/dbraw/zinc/25/78/40/364257840.db2.gz SULGJANQALTODA-RKDXNWHRSA-N 2 2 216.288 1.489 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000233517350 541384694 /nfs/dbraw/zinc/38/46/94/541384694.db2.gz UGLJXJBALBJTKS-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH2+]CC2(C)CCC2)C1 ZINC000233517350 541384700 /nfs/dbraw/zinc/38/47/00/541384700.db2.gz UGLJXJBALBJTKS-GFCCVEGCSA-N 2 2 226.364 1.487 10 0 BDAELP [NH3+]CCC[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757111 181383632 /nfs/dbraw/zinc/38/36/32/181383632.db2.gz MHYHWDVTHCXCMB-UHFFFAOYSA-N 2 2 217.272 1.289 10 0 BDAELP CC(C)[NH2+]C[C@@H](O)COc1ccc([NH2+]O)cc1 ZINC000033902520 368322061 /nfs/dbraw/zinc/32/20/61/368322061.db2.gz UCGFOKKVSOLRAB-LLVKDONJSA-N 2 2 240.303 1.225 10 0 BDAELP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1cc(F)cc(F)c1 ZINC000036946780 181628070 /nfs/dbraw/zinc/62/80/70/181628070.db2.gz RCBURUBJUQFDGW-SNVBAGLBSA-N 2 2 223.226 1.930 10 0 BDAELP C[C@H]1CC[NH2+][C@@H]1C[NH+]1CCSCC1 ZINC000226855362 371751426 /nfs/dbraw/zinc/75/14/26/371751426.db2.gz UIVSPAVVMRBCRT-VHSXEESVSA-N 2 2 200.351 1.033 10 0 BDAELP C[NH2+][C@H](C)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000217554417 371978128 /nfs/dbraw/zinc/97/81/28/371978128.db2.gz XYTDBFGQTNJVBH-HBNTYKKESA-N 2 2 200.326 1.094 10 0 BDAELP C[NH2+][C@H](C)[C@@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000217554417 371978134 /nfs/dbraw/zinc/97/81/34/371978134.db2.gz XYTDBFGQTNJVBH-HBNTYKKESA-N 2 2 200.326 1.094 10 0 BDAELP CCc1cnc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838951 372634211 /nfs/dbraw/zinc/63/42/11/372634211.db2.gz XMJLGPBLNIXCNZ-UWVGGRQHSA-N 2 2 223.320 1.264 10 0 BDAELP CCc1cnc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000631838951 372634216 /nfs/dbraw/zinc/63/42/16/372634216.db2.gz XMJLGPBLNIXCNZ-UWVGGRQHSA-N 2 2 223.320 1.264 10 0 BDAELP Nc1ccccc1C1CC[NH+](CC[NH3+])CC1 ZINC000380624402 373356193 /nfs/dbraw/zinc/35/61/93/373356193.db2.gz BXQIPQDKKRUKMI-UHFFFAOYSA-N 2 2 219.332 1.407 10 0 BDAELP OCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645074 183056054 /nfs/dbraw/zinc/05/60/54/183056054.db2.gz OAYORRQTVTWJCI-GFCCVEGCSA-N 2 2 235.331 1.198 10 0 BDAELP OCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645074 183056056 /nfs/dbraw/zinc/05/60/56/183056056.db2.gz OAYORRQTVTWJCI-GFCCVEGCSA-N 2 2 235.331 1.198 10 0 BDAELP O[C@@H]1CCC[C@H]1C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942168 183196879 /nfs/dbraw/zinc/19/68/79/183196879.db2.gz QUICEFGTZGPJLX-BFHYXJOUSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@@H]1CCC[C@H]1C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942168 183196881 /nfs/dbraw/zinc/19/68/81/183196881.db2.gz QUICEFGTZGPJLX-BFHYXJOUSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@@H]1CCC[C@H]1C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942168 183196884 /nfs/dbraw/zinc/19/68/84/183196884.db2.gz QUICEFGTZGPJLX-BFHYXJOUSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@@H]1CCC[C@H]1C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942168 183196885 /nfs/dbraw/zinc/19/68/85/183196885.db2.gz QUICEFGTZGPJLX-BFHYXJOUSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@H](CNc1cccc[nH+]1)C[NH+]1CCCCC1 ZINC000038592726 183226442 /nfs/dbraw/zinc/22/64/42/183226442.db2.gz DWTDRXRKVNGCIC-GFCCVEGCSA-N 2 2 235.331 1.340 10 0 BDAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cnn(C)c1 ZINC000020075349 169150271 /nfs/dbraw/zinc/15/02/71/169150271.db2.gz PULQOSFGNBTXSK-LBPRGKRZSA-N 2 2 224.352 1.542 10 0 BDAELP CCC[N@@H+]([C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000104342187 169181403 /nfs/dbraw/zinc/18/14/03/169181403.db2.gz RFAGMWRYERUWPY-MJBXVCDLSA-N 2 2 240.391 1.754 10 0 BDAELP CCC[N@H+]([C@@H]1CCCC[C@@H]1O)[C@H]1CCC[NH2+]C1 ZINC000104342187 169181405 /nfs/dbraw/zinc/18/14/05/169181405.db2.gz RFAGMWRYERUWPY-MJBXVCDLSA-N 2 2 240.391 1.754 10 0 BDAELP c1cc(C[NH2+]CC[NH+]2CCCC2)cc2c1OCO2 ZINC000028114207 183368091 /nfs/dbraw/zinc/36/80/91/183368091.db2.gz PKGJBMGOYBSOHG-UHFFFAOYSA-N 2 2 248.326 1.601 10 0 BDAELP CCC[NH2+][C@@H](CC)CN1CCn2cc[nH+]c2C1 ZINC000062250689 169278261 /nfs/dbraw/zinc/27/82/61/169278261.db2.gz TVJORARCFOOSKV-LBPRGKRZSA-N 2 2 236.363 1.477 10 0 BDAELP CC[C@@H]([NH3+])[C@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000036232350 384186201 /nfs/dbraw/zinc/18/62/01/384186201.db2.gz FQGMQPPPSKRDOW-VHSXEESVSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@@H]([NH3+])[C@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000036232350 384186203 /nfs/dbraw/zinc/18/62/03/384186203.db2.gz FQGMQPPPSKRDOW-VHSXEESVSA-N 2 2 200.326 1.223 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC000308829963 384329211 /nfs/dbraw/zinc/32/92/11/384329211.db2.gz ADJQVXZANAYDDZ-BDAKNGLRSA-N 2 2 223.345 1.362 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCSC1)CC2 ZINC000308829963 384329213 /nfs/dbraw/zinc/32/92/13/384329213.db2.gz ADJQVXZANAYDDZ-BDAKNGLRSA-N 2 2 223.345 1.362 10 0 BDAELP Cc1ccc([C@@H]([NH3+])C[NH3+])c(Br)c1 ZINC000044472397 384740737 /nfs/dbraw/zinc/74/07/37/384740737.db2.gz ZFCPVQHZXZPSHV-VIFPVBQESA-N 2 2 229.121 1.716 10 0 BDAELP Cc1ccc(F)c([C@H]([NH3+])C[NH3+])c1Cl ZINC000072200605 384816967 /nfs/dbraw/zinc/81/69/67/384816967.db2.gz XPEDMZYDBARQAO-SSDOTTSWSA-N 2 2 202.660 1.746 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(O)ccc1Br ZINC000072201257 384814788 /nfs/dbraw/zinc/81/47/88/384814788.db2.gz SFDUBLFNCTVTAI-MRVPVSSYSA-N 2 2 231.093 1.113 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCCCCC2=O)C1 ZINC000062749585 385228319 /nfs/dbraw/zinc/22/83/19/385228319.db2.gz QRMRGCBVQQZYCM-QWRGUYRKSA-N 2 2 210.321 1.311 10 0 BDAELP [NH3+][C@H]1CCC[N@H+]([C@H]2CCCCCC2=O)C1 ZINC000062749585 385228323 /nfs/dbraw/zinc/22/83/23/385228323.db2.gz QRMRGCBVQQZYCM-QWRGUYRKSA-N 2 2 210.321 1.311 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000072201037 385324183 /nfs/dbraw/zinc/32/41/83/385324183.db2.gz NQUIWOCACFTELF-MRVPVSSYSA-N 2 2 222.185 1.803 10 0 BDAELP C[C@@H]1C[C@]2(CC[N@@H+]1C)[NH2+]CCCS2 ZINC000156984639 385478667 /nfs/dbraw/zinc/47/86/67/385478667.db2.gz JDOPQBNBZPLYHI-NXEZZACHSA-N 2 2 200.351 1.523 10 0 BDAELP C[C@@H]1C[C@]2(CC[N@H+]1C)[NH2+]CCCS2 ZINC000156984639 385478671 /nfs/dbraw/zinc/47/86/71/385478671.db2.gz JDOPQBNBZPLYHI-NXEZZACHSA-N 2 2 200.351 1.523 10 0 BDAELP C[N@@H+]1C[C@H]([NH2+]C2CSC2)CC1(C)C ZINC000575531460 385875382 /nfs/dbraw/zinc/87/53/82/385875382.db2.gz OFBPLZIPQQWHPR-MRVPVSSYSA-N 2 2 200.351 1.174 10 0 BDAELP C[N@H+]1C[C@H]([NH2+]C2CSC2)CC1(C)C ZINC000575531460 385875387 /nfs/dbraw/zinc/87/53/87/385875387.db2.gz OFBPLZIPQQWHPR-MRVPVSSYSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1C[NH2+][C@]2(CCC[NH2+]CC2)SC1 ZINC000575576844 387028689 /nfs/dbraw/zinc/02/86/89/387028689.db2.gz VYPXHASEMWSMNY-NXEZZACHSA-N 2 2 200.351 1.429 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591219 387156232 /nfs/dbraw/zinc/15/62/32/387156232.db2.gz UJRHMRDPKHDCKR-YNEHKIRRSA-N 3 2 225.380 1.058 10 0 BDAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400591219 387156233 /nfs/dbraw/zinc/15/62/33/387156233.db2.gz UJRHMRDPKHDCKR-YNEHKIRRSA-N 3 2 225.380 1.058 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000575507465 387374667 /nfs/dbraw/zinc/37/46/67/387374667.db2.gz WJWQHBJCNRSDNV-ZLQFYDKZSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000575507465 387374670 /nfs/dbraw/zinc/37/46/70/387374670.db2.gz WJWQHBJCNRSDNV-ZLQFYDKZSA-N 2 2 202.729 1.798 10 0 BDAELP C[C@@H]1CC[C@@](C[NH3+])([NH+]2CCC2)CS1 ZINC000575535531 387575280 /nfs/dbraw/zinc/57/52/80/387575280.db2.gz WYCBHQGQRKYWKJ-ZJUUUORDSA-N 2 2 200.351 1.305 10 0 BDAELP Fc1cccc(CC[NH2+][C@H]2CC[NH2+]C2)c1F ZINC000422958582 387811058 /nfs/dbraw/zinc/81/10/58/387811058.db2.gz PNWVHXXKLXDJBB-JTQLQIEISA-N 2 2 226.270 1.459 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000246274912 388025943 /nfs/dbraw/zinc/02/59/43/388025943.db2.gz MUOSFZJRDNSMKM-YUTCNCBUSA-N 2 2 240.391 1.730 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C1CC1 ZINC000246274912 388025946 /nfs/dbraw/zinc/02/59/46/388025946.db2.gz MUOSFZJRDNSMKM-YUTCNCBUSA-N 2 2 240.391 1.730 10 0 BDAELP COc1ccc[nH+]c1N[C@@H](C)C[C@H](C)[NH3+] ZINC000165736240 388252873 /nfs/dbraw/zinc/25/28/73/388252873.db2.gz ZCPHAMKWGGDQKB-IUCAKERBSA-N 2 2 209.293 1.628 10 0 BDAELP COC(=O)C1([NH+]2CCC([NH3+])CC2)CCCCC1 ZINC000066054902 388547109 /nfs/dbraw/zinc/54/71/09/388547109.db2.gz XWCYATCWGBPGFT-UHFFFAOYSA-N 2 2 240.347 1.285 10 0 BDAELP C[NH+](C)C1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000397874626 388508361 /nfs/dbraw/zinc/50/83/61/388508361.db2.gz LFUGYGLNFWVNHE-TUAOUCFPSA-N 2 2 238.375 1.484 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000246567333 388644577 /nfs/dbraw/zinc/64/45/77/388644577.db2.gz XQENYWWCKCSWAV-NDBYEHHHSA-N 2 2 226.364 1.482 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000246567333 388644580 /nfs/dbraw/zinc/64/45/80/388644580.db2.gz XQENYWWCKCSWAV-NDBYEHHHSA-N 2 2 226.364 1.482 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCCOC)C1 ZINC000246903987 388655435 /nfs/dbraw/zinc/65/54/35/388655435.db2.gz GAIAFLNSZPSTFJ-OLZOCXBDSA-N 2 2 228.380 1.875 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCCOC)C1 ZINC000246903987 388655439 /nfs/dbraw/zinc/65/54/39/388655439.db2.gz GAIAFLNSZPSTFJ-OLZOCXBDSA-N 2 2 228.380 1.875 10 0 BDAELP COC[C@H](C)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000153360441 388966014 /nfs/dbraw/zinc/96/60/14/388966014.db2.gz NWZJCHPQHQOUPO-CHWSQXEVSA-N 2 2 230.396 1.835 10 0 BDAELP [NH3+]Cc1ccccc1N1CCn2cc[nH+]c2C1 ZINC000062245216 132387705 /nfs/dbraw/zinc/38/77/05/132387705.db2.gz RTCUTDSCPDDKKU-UHFFFAOYSA-N 2 2 228.299 1.362 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000178297666 134306228 /nfs/dbraw/zinc/30/62/28/134306228.db2.gz DYHYTVFSNWLSQG-KBPBESRZSA-N 2 2 249.358 1.835 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H]1CCCO1 ZINC000178297666 134306229 /nfs/dbraw/zinc/30/62/29/134306229.db2.gz DYHYTVFSNWLSQG-KBPBESRZSA-N 2 2 249.358 1.835 10 0 BDAELP Fc1cncc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261546230 135238678 /nfs/dbraw/zinc/23/86/78/135238678.db2.gz GRJAONUVJPJRNO-VXGBXAGGSA-N 2 2 235.306 1.262 10 0 BDAELP Fc1cncc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261546230 135238680 /nfs/dbraw/zinc/23/86/80/135238680.db2.gz GRJAONUVJPJRNO-VXGBXAGGSA-N 2 2 235.306 1.262 10 0 BDAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334329466 135354987 /nfs/dbraw/zinc/35/49/87/135354987.db2.gz NTZORDHZSPHTTB-QWHCGFSZSA-N 2 2 249.358 1.893 10 0 BDAELP C[C@H](CC1CC1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000166125082 136072802 /nfs/dbraw/zinc/07/28/02/136072802.db2.gz GTPVCRONFAEWFP-NTZNESFSSA-N 2 2 226.364 1.532 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000382169602 397917000 /nfs/dbraw/zinc/91/70/00/397917000.db2.gz VZUAYYYAXUOGEL-RYUDHWBXSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)C1 ZINC000382169602 397917002 /nfs/dbraw/zinc/91/70/02/397917002.db2.gz VZUAYYYAXUOGEL-RYUDHWBXSA-N 2 2 212.337 1.095 10 0 BDAELP C[N@@H+]1CCSC[C@H]1c1nc(C[NH3+])cs1 ZINC000234362734 398132960 /nfs/dbraw/zinc/13/29/60/398132960.db2.gz KFDASGBIXJNDNA-QMMMGPOBSA-N 2 2 229.374 1.322 10 0 BDAELP C[N@H+]1CCSC[C@H]1c1nc(C[NH3+])cs1 ZINC000234362734 398132964 /nfs/dbraw/zinc/13/29/64/398132964.db2.gz KFDASGBIXJNDNA-QMMMGPOBSA-N 2 2 229.374 1.322 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCSCC1 ZINC000042444530 167104651 /nfs/dbraw/zinc/10/46/51/167104651.db2.gz CMOCRTMDPBJQGX-UHFFFAOYSA-N 2 2 202.367 1.423 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCSCC1 ZINC000042444530 167104655 /nfs/dbraw/zinc/10/46/55/167104655.db2.gz CMOCRTMDPBJQGX-UHFFFAOYSA-N 2 2 202.367 1.423 10 0 BDAELP CC(C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)o1 ZINC000045205597 167118386 /nfs/dbraw/zinc/11/83/86/167118386.db2.gz FZNVNBDBRVIRTR-UHFFFAOYSA-N 2 2 238.331 1.610 10 0 BDAELP CO[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000662264339 409559584 /nfs/dbraw/zinc/55/95/84/409559584.db2.gz JELOKKDCRRKWCN-NEPJUHHUSA-N 2 2 212.337 1.143 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@@H](CC[NH3+])C1 ZINC000128387861 410268196 /nfs/dbraw/zinc/26/81/96/410268196.db2.gz PXWSBRFGUSTXEI-NSHDSACASA-N 2 2 235.331 1.655 10 0 BDAELP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)C(C)(C)O ZINC000395322480 410846264 /nfs/dbraw/zinc/84/62/64/410846264.db2.gz NDBLIOPAJGFNAA-JTQLQIEISA-N 2 2 214.353 1.220 10 0 BDAELP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)C(C)(C)O ZINC000395322480 410846267 /nfs/dbraw/zinc/84/62/67/410846267.db2.gz NDBLIOPAJGFNAA-JTQLQIEISA-N 2 2 214.353 1.220 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@@H+]1CCO[C@H](C)C1 ZINC000051210570 167002764 /nfs/dbraw/zinc/00/27/64/167002764.db2.gz GJJBJJXQBRFLAA-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]CC(C)(C)C[N@H+]1CCO[C@H](C)C1 ZINC000051210570 167002769 /nfs/dbraw/zinc/00/27/69/167002769.db2.gz GJJBJJXQBRFLAA-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860296 167036068 /nfs/dbraw/zinc/03/60/68/167036068.db2.gz XBCGRLQOHFIJFO-CYBMUJFWSA-N 2 2 204.317 1.780 10 0 BDAELP CC(C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000051860296 167036069 /nfs/dbraw/zinc/03/60/69/167036069.db2.gz XBCGRLQOHFIJFO-CYBMUJFWSA-N 2 2 204.317 1.780 10 0 BDAELP CC(C)[NH2+]C[C@H](O)COc1ccc2[nH]c[nH+]c2c1 ZINC000116456362 167115464 /nfs/dbraw/zinc/11/54/64/167115464.db2.gz OGDPAKNSPMBCOT-JTQLQIEISA-N 2 2 249.314 1.301 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336268222 167771715 /nfs/dbraw/zinc/77/17/15/167771715.db2.gz PNLMLLRGHTUORO-STQMWFEESA-N 2 2 248.374 1.648 10 0 BDAELP CO[C@@H]1C[NH2+][C@@](C)(C[NH2+]Cc2ccccc2)C1 ZINC000536958771 411265826 /nfs/dbraw/zinc/26/58/26/411265826.db2.gz IAGHOEJFPKEIBJ-UONOGXRCSA-N 2 2 234.343 1.543 10 0 BDAELP C[C@@](C[NH3+])(C1CC1)[N@@H+]1CCOC(C)(C)C1 ZINC000036232294 167964809 /nfs/dbraw/zinc/96/48/09/167964809.db2.gz FNSWPDRRHPREHB-GFCCVEGCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@](C[NH3+])(C1CC1)[N@H+]1CCOC(C)(C)C1 ZINC000036232294 167964810 /nfs/dbraw/zinc/96/48/10/167964810.db2.gz FNSWPDRRHPREHB-GFCCVEGCSA-N 2 2 212.337 1.225 10 0 BDAELP CC1CCC(C[NH3+])([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000035775014 168152832 /nfs/dbraw/zinc/15/28/32/168152832.db2.gz XOXMBQCSNVOWTH-CPCZMJQVSA-N 2 2 226.364 1.615 10 0 BDAELP CC1CCC(C[NH3+])([N@H+]2CCOC[C@@H]2C)CC1 ZINC000035775014 168152834 /nfs/dbraw/zinc/15/28/34/168152834.db2.gz XOXMBQCSNVOWTH-CPCZMJQVSA-N 2 2 226.364 1.615 10 0 BDAELP CC1CCC(C[NH3+])([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000019439460 168153866 /nfs/dbraw/zinc/15/38/66/168153866.db2.gz CPXNIKLJKCMZDX-OTTFEQOBSA-N 2 2 226.364 1.615 10 0 BDAELP CC1CCC(C[NH3+])([N@H+]2CCO[C@H](C)C2)CC1 ZINC000019439460 168153867 /nfs/dbraw/zinc/15/38/67/168153867.db2.gz CPXNIKLJKCMZDX-OTTFEQOBSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCCO1 ZINC000657308784 411458613 /nfs/dbraw/zinc/45/86/13/411458613.db2.gz BTOSEFMMKOWZOW-JQWIXIFHSA-N 2 2 235.331 1.486 10 0 BDAELP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC[C@H]2O)n1C ZINC000657372697 411486242 /nfs/dbraw/zinc/48/62/42/411486242.db2.gz ICSHUSKELHBMHC-DGCLKSJQSA-N 2 2 237.347 1.369 10 0 BDAELP CCN1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000040502064 169966515 /nfs/dbraw/zinc/96/65/15/169966515.db2.gz XSVUHTRNPLJQFV-CYBMUJFWSA-N 2 2 225.380 1.155 10 0 BDAELP CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000037484458 170010725 /nfs/dbraw/zinc/01/07/25/170010725.db2.gz JCFJIYRPNVXJRY-NSHDSACASA-N 2 2 205.305 1.835 10 0 BDAELP CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000037484458 170010726 /nfs/dbraw/zinc/01/07/26/170010726.db2.gz JCFJIYRPNVXJRY-NSHDSACASA-N 2 2 205.305 1.835 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655786 170011934 /nfs/dbraw/zinc/01/19/34/170011934.db2.gz URLJAAPZDLRSOA-NWDGAFQWSA-N 2 2 212.337 1.191 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000073655786 170011935 /nfs/dbraw/zinc/01/19/35/170011935.db2.gz URLJAAPZDLRSOA-NWDGAFQWSA-N 2 2 212.337 1.191 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000336775992 170034609 /nfs/dbraw/zinc/03/46/09/170034609.db2.gz DHVPLZVDJKQNKJ-AVGNSLFASA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C2CCOCC2)[C@@H](C)C1 ZINC000309031346 170035001 /nfs/dbraw/zinc/03/50/01/170035001.db2.gz DYPXRPRAHOHIJZ-JQWIXIFHSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C2CCOCC2)[C@@H](C)C1 ZINC000309031346 170035003 /nfs/dbraw/zinc/03/50/03/170035003.db2.gz DYPXRPRAHOHIJZ-JQWIXIFHSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000309648562 170037925 /nfs/dbraw/zinc/03/79/25/170037925.db2.gz NFBHLOYJEYNESC-RWMBFGLXSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000309648562 170037927 /nfs/dbraw/zinc/03/79/27/170037927.db2.gz NFBHLOYJEYNESC-RWMBFGLXSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000309835926 170040023 /nfs/dbraw/zinc/04/00/23/170040023.db2.gz BBRVPIPVZRUAOV-CYZMBNFOSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](COC)C2CC2)C1 ZINC000309835926 170040024 /nfs/dbraw/zinc/04/00/24/170040024.db2.gz BBRVPIPVZRUAOV-CYZMBNFOSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1Cc2ccccc2C[C@H]1C[NH2+]C ZINC000051860012 170040446 /nfs/dbraw/zinc/04/04/46/170040446.db2.gz QGPLLSQSRNJMAP-ZDUSSCGKSA-N 2 2 204.317 1.653 10 0 BDAELP CC[N@H+]1Cc2ccccc2C[C@H]1C[NH2+]C ZINC000051860012 170040447 /nfs/dbraw/zinc/04/04/47/170040447.db2.gz QGPLLSQSRNJMAP-ZDUSSCGKSA-N 2 2 204.317 1.653 10 0 BDAELP CC[NH2+]C(C)(C)C[N@@H+]1CCCO[C@H](C)C1 ZINC000061934313 170107192 /nfs/dbraw/zinc/10/71/92/170107192.db2.gz MWMVHEZJVDIHMV-LLVKDONJSA-N 2 2 214.353 1.485 10 0 BDAELP CC[NH2+]C(C)(C)C[N@H+]1CCCO[C@H](C)C1 ZINC000061934313 170107193 /nfs/dbraw/zinc/10/71/93/170107193.db2.gz MWMVHEZJVDIHMV-LLVKDONJSA-N 2 2 214.353 1.485 10 0 BDAELP CC[NH2+]C1(c2nc(C)c(C)s2)CC[NH2+]CC1 ZINC000041061137 170108119 /nfs/dbraw/zinc/10/81/19/170108119.db2.gz MRPDSQUGFLBCDS-UHFFFAOYSA-N 2 2 239.388 1.948 10 0 BDAELP CC[NH2+]CC1(C[N@@H+]2CCOC[C@H]2C)CCCC1 ZINC000051216732 170111108 /nfs/dbraw/zinc/11/11/08/170111108.db2.gz HPHBISDRNBFXRG-CYBMUJFWSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]CC1(C[N@H+]2CCOC[C@H]2C)CCCC1 ZINC000051216732 170111110 /nfs/dbraw/zinc/11/11/10/170111110.db2.gz HPHBISDRNBFXRG-CYBMUJFWSA-N 2 2 240.391 1.877 10 0 BDAELP CC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186709 170118087 /nfs/dbraw/zinc/11/80/87/170118087.db2.gz ZSKZFJLCWMHJOH-UHFFFAOYSA-N 2 2 203.289 1.954 10 0 BDAELP CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCn1cccn1 ZINC000053650951 170120009 /nfs/dbraw/zinc/12/00/09/170120009.db2.gz LYUXVFMFZBGQQE-ZDUSSCGKSA-N 2 2 236.363 1.347 10 0 BDAELP CC[NH2+]C[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000053650951 170120010 /nfs/dbraw/zinc/12/00/10/170120010.db2.gz LYUXVFMFZBGQQE-ZDUSSCGKSA-N 2 2 236.363 1.347 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000053031033 170122913 /nfs/dbraw/zinc/12/29/13/170122913.db2.gz PHLABUXXOSTNRY-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000053031033 170122915 /nfs/dbraw/zinc/12/29/15/170122915.db2.gz PHLABUXXOSTNRY-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]Cc1ccc(C[NH+]2CCOCC2)o1 ZINC000045205596 170126122 /nfs/dbraw/zinc/12/61/22/170126122.db2.gz MMNRTWREOIRMSY-UHFFFAOYSA-N 2 2 224.304 1.221 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000049714267 170151709 /nfs/dbraw/zinc/15/17/09/170151709.db2.gz VIGCYXRUABZUNF-BFHYXJOUSA-N 3 2 241.423 1.789 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000049714267 170151710 /nfs/dbraw/zinc/15/17/10/170151710.db2.gz VIGCYXRUABZUNF-BFHYXJOUSA-N 3 2 241.423 1.789 10 0 BDAELP CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095091523 170154157 /nfs/dbraw/zinc/15/41/57/170154157.db2.gz FIMFRDJROGUFBE-HUUCEWRRSA-N 2 2 248.370 1.479 10 0 BDAELP CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000095091523 170154159 /nfs/dbraw/zinc/15/41/59/170154159.db2.gz FIMFRDJROGUFBE-HUUCEWRRSA-N 2 2 248.370 1.479 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000061321502 170167503 /nfs/dbraw/zinc/16/75/03/170167503.db2.gz DDOASAGWAPVUPQ-FZMZJTMJSA-N 2 2 248.374 1.605 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)cn2)C[C@@H]1C ZINC000061321502 170167505 /nfs/dbraw/zinc/16/75/05/170167505.db2.gz DDOASAGWAPVUPQ-FZMZJTMJSA-N 2 2 248.374 1.605 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](C[C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000049712914 170167542 /nfs/dbraw/zinc/16/75/42/170167542.db2.gz UMHZFZFGZRTFDO-MJBXVCDLSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](C[C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000049712914 170167544 /nfs/dbraw/zinc/16/75/44/170167544.db2.gz UMHZFZFGZRTFDO-MJBXVCDLSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH2+][C@H]1CC[NH+](C[C@@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC000049712914 170167545 /nfs/dbraw/zinc/16/75/45/170167545.db2.gz UMHZFZFGZRTFDO-MJBXVCDLSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH2+][C@H]1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000049712914 170167546 /nfs/dbraw/zinc/16/75/46/170167546.db2.gz UMHZFZFGZRTFDO-MJBXVCDLSA-N 3 2 239.407 1.258 10 0 BDAELP CCNc1[nH+]cccc1Cn1cc[nH+]c1 ZINC000052732290 170178197 /nfs/dbraw/zinc/17/81/97/170178197.db2.gz STCLAFWCEPCBDX-UHFFFAOYSA-N 2 2 202.261 1.758 10 0 BDAELP CCOC(=O)C[N@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000103928655 170216032 /nfs/dbraw/zinc/21/60/32/170216032.db2.gz YKSVJLCRHAUBCT-VXGBXAGGSA-N 2 2 242.363 1.389 10 0 BDAELP CCOC(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000103928655 170216033 /nfs/dbraw/zinc/21/60/33/170216033.db2.gz YKSVJLCRHAUBCT-VXGBXAGGSA-N 2 2 242.363 1.389 10 0 BDAELP CCOCC[N@H+](CC)[C@@H](C)C[NH2+]CCCOC ZINC000104195576 170396052 /nfs/dbraw/zinc/39/60/52/170396052.db2.gz WQCDUEULKFQMQL-ZDUSSCGKSA-N 2 2 246.395 1.359 10 0 BDAELP CCOCC[N@@H+](CC)[C@@H](C)C[NH2+]CCCOC ZINC000104195576 170396053 /nfs/dbraw/zinc/39/60/53/170396053.db2.gz WQCDUEULKFQMQL-ZDUSSCGKSA-N 2 2 246.395 1.359 10 0 BDAELP CC[NH+]1CCC(c2ccc(N)[nH+]c2)CC1 ZINC000616619023 411857600 /nfs/dbraw/zinc/85/76/00/411857600.db2.gz FWPKDWYJOSZQOP-UHFFFAOYSA-N 2 2 205.305 1.863 10 0 BDAELP C[N@@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616651609 411891676 /nfs/dbraw/zinc/89/16/76/411891676.db2.gz HSBZGHLHEGDUKC-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCCO[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616651609 411891677 /nfs/dbraw/zinc/89/16/77/411891677.db2.gz HSBZGHLHEGDUKC-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP CC[C@@H]1CC[N@H+](CCC[NH+](C)C)C[C@H](C)C[NH2+]1 ZINC000049666097 171011049 /nfs/dbraw/zinc/01/10/49/171011049.db2.gz VDRNZYFSBVFREV-ZIAGYGMSSA-N 3 2 241.423 1.648 10 0 BDAELP CC[C@@H]1CC[N@@H+](CCC[NH+](C)C)C[C@H](C)C[NH2+]1 ZINC000049666097 171011051 /nfs/dbraw/zinc/01/10/51/171011051.db2.gz VDRNZYFSBVFREV-ZIAGYGMSSA-N 3 2 241.423 1.648 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C[NH3+])o1 ZINC000052570953 171114146 /nfs/dbraw/zinc/11/41/46/171114146.db2.gz NKRAHZQCAUMBQJ-GHMZBOCLSA-N 2 2 238.331 1.738 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C[NH3+])o1 ZINC000052570953 171114148 /nfs/dbraw/zinc/11/41/48/171114148.db2.gz NKRAHZQCAUMBQJ-GHMZBOCLSA-N 2 2 238.331 1.738 10 0 BDAELP CC[C@@](C)([NH3+])c1nc2c(s1)C[N@H+](C)CC2 ZINC000041059553 171172875 /nfs/dbraw/zinc/17/28/75/171172875.db2.gz GBBANHVWJXDDKN-LLVKDONJSA-N 2 2 225.361 1.715 10 0 BDAELP CC[C@@](C)([NH3+])c1nc2c(s1)C[N@@H+](C)CC2 ZINC000041059553 171172877 /nfs/dbraw/zinc/17/28/77/171172877.db2.gz GBBANHVWJXDDKN-LLVKDONJSA-N 2 2 225.361 1.715 10 0 BDAELP CC[C@H](C)C[C@@](CC)(C[NH3+])[NH+]1CCOCC1 ZINC000019436357 171296159 /nfs/dbraw/zinc/29/61/59/171296159.db2.gz VAXREIKHUZZVCT-STQMWFEESA-N 2 2 228.380 1.862 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])CN1CCn2cc[nH+]c2C1 ZINC000062321420 171396657 /nfs/dbraw/zinc/39/66/57/171396657.db2.gz DVNRFSHAIHBJPH-WDEREUQCSA-N 2 2 222.336 1.072 10 0 BDAELP COc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1C ZINC000665293782 412238788 /nfs/dbraw/zinc/23/87/88/412238788.db2.gz CLZYGRVUSPWDIO-LBPRGKRZSA-N 2 2 220.316 1.455 10 0 BDAELP CCc1c(C)[nH+]cnc1NC1CC[NH2+]CC1 ZINC000045950820 171741264 /nfs/dbraw/zinc/74/12/64/171741264.db2.gz FITNJJRWHKGUGF-UHFFFAOYSA-N 2 2 220.320 1.511 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC000194951765 172029367 /nfs/dbraw/zinc/02/93/67/172029367.db2.gz DIHDSBNJRMSJBD-VXGBXAGGSA-N 2 2 237.347 1.463 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC000194951765 172029370 /nfs/dbraw/zinc/02/93/70/172029370.db2.gz DIHDSBNJRMSJBD-VXGBXAGGSA-N 2 2 237.347 1.463 10 0 BDAELP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CN2CCC1CC2 ZINC000020441386 172398129 /nfs/dbraw/zinc/39/81/29/172398129.db2.gz LFMNPDDNBCBUTG-GFCCVEGCSA-N 2 2 225.380 1.010 10 0 BDAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([NH3+])CC1 ZINC000036754161 173008658 /nfs/dbraw/zinc/00/86/58/173008658.db2.gz FXZGEFJPQHRMBF-ZDUSSCGKSA-N 3 2 225.380 1.284 10 0 BDAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([NH3+])CC1 ZINC000036754161 173008660 /nfs/dbraw/zinc/00/86/60/173008660.db2.gz FXZGEFJPQHRMBF-ZDUSSCGKSA-N 3 2 225.380 1.284 10 0 BDAELP C[N@@H+]1CCC[C@H]1CCOc1cc[nH+]cc1N ZINC000040240457 173053818 /nfs/dbraw/zinc/05/38/18/173053818.db2.gz LQUIYCCDBWOVED-JTQLQIEISA-N 2 2 221.304 1.527 10 0 BDAELP C[N@H+]1CCC[C@H]1CCOc1cc[nH+]cc1N ZINC000040240457 173053821 /nfs/dbraw/zinc/05/38/21/173053821.db2.gz LQUIYCCDBWOVED-JTQLQIEISA-N 2 2 221.304 1.527 10 0 BDAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000040505206 173117330 /nfs/dbraw/zinc/11/73/30/173117330.db2.gz AJSPUYYJGPSUHH-VIFPVBQESA-N 2 2 211.334 1.184 10 0 BDAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cscn2)C1 ZINC000040505206 173117332 /nfs/dbraw/zinc/11/73/32/173117332.db2.gz AJSPUYYJGPSUHH-VIFPVBQESA-N 2 2 211.334 1.184 10 0 BDAELP C[NH2+]CCN(C)CCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000077403815 173353255 /nfs/dbraw/zinc/35/32/55/173353255.db2.gz VXBDJOWMMULYPS-UHFFFAOYSA-N 2 2 246.358 1.565 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543348 173362418 /nfs/dbraw/zinc/36/24/18/173362418.db2.gz WFRDIIRHYXLJJN-RYUDHWBXSA-N 2 2 228.380 1.730 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000052543348 173362419 /nfs/dbraw/zinc/36/24/19/173362419.db2.gz WFRDIIRHYXLJJN-RYUDHWBXSA-N 2 2 228.380 1.730 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000250705345 173368068 /nfs/dbraw/zinc/36/80/68/173368068.db2.gz DTXKSRFYXPSZIY-CMPLNLGQSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000250705345 173368069 /nfs/dbraw/zinc/36/80/69/173368069.db2.gz DTXKSRFYXPSZIY-CMPLNLGQSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1c[nH+]cn1C ZINC000250705345 173368070 /nfs/dbraw/zinc/36/80/70/173368070.db2.gz DTXKSRFYXPSZIY-CMPLNLGQSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000040591867 173378402 /nfs/dbraw/zinc/37/84/02/173378402.db2.gz UIIDTAQZXSJCRP-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000040591867 173378403 /nfs/dbraw/zinc/37/84/03/173378403.db2.gz UIIDTAQZXSJCRP-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]C[C@H]1C[N@H+](CCCc2ccccc2)CCO1 ZINC000071563503 173382780 /nfs/dbraw/zinc/38/27/80/173382780.db2.gz QSYLRYJSYGROHN-HNNXBMFYSA-N 2 2 248.370 1.539 10 0 BDAELP C[NH2+]C[C@H]1C[N@@H+](CCCc2ccccc2)CCO1 ZINC000071563503 173382782 /nfs/dbraw/zinc/38/27/82/173382782.db2.gz QSYLRYJSYGROHN-HNNXBMFYSA-N 2 2 248.370 1.539 10 0 BDAELP C[NH2+]Cc1cc(C[N@@H+]2CCOCC2(C)C)on1 ZINC000052546113 173386729 /nfs/dbraw/zinc/38/67/29/173386729.db2.gz SPXOQDWYLNXJPY-UHFFFAOYSA-N 2 2 239.319 1.005 10 0 BDAELP C[NH2+]Cc1cc(C[N@H+]2CCOCC2(C)C)on1 ZINC000052546113 173386731 /nfs/dbraw/zinc/38/67/31/173386731.db2.gz SPXOQDWYLNXJPY-UHFFFAOYSA-N 2 2 239.319 1.005 10 0 BDAELP C[NH2+]Cc1nccn1Cc1cn2ccccc2[nH+]1 ZINC000051004555 173397898 /nfs/dbraw/zinc/39/78/98/173397898.db2.gz GZESUMDKYBQCOS-UHFFFAOYSA-N 2 2 241.298 1.299 10 0 BDAELP COCC[N@H+](C)CCn1c[nH+]c2cc(N)ccc21 ZINC000061380848 174278902 /nfs/dbraw/zinc/27/89/02/174278902.db2.gz XEKSRWYVPAYOEU-UHFFFAOYSA-N 2 2 248.330 1.197 10 0 BDAELP COCC[N@@H+](C)CCn1c[nH+]c2cc(N)ccc21 ZINC000061380848 174278904 /nfs/dbraw/zinc/27/89/04/174278904.db2.gz XEKSRWYVPAYOEU-UHFFFAOYSA-N 2 2 248.330 1.197 10 0 BDAELP COCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178293567 174309055 /nfs/dbraw/zinc/30/90/55/174309055.db2.gz WCQRXZXNUQWHFR-LBPRGKRZSA-N 2 2 223.320 1.302 10 0 BDAELP COCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178293567 174309056 /nfs/dbraw/zinc/30/90/56/174309056.db2.gz WCQRXZXNUQWHFR-LBPRGKRZSA-N 2 2 223.320 1.302 10 0 BDAELP COc1cc([C@@H]([NH3+])C[NH3+])cc(Cl)c1O ZINC000072200924 175014137 /nfs/dbraw/zinc/01/41/37/175014137.db2.gz RXGLHJGMZNEAJL-ZETCQYMHSA-N 2 2 216.668 1.013 10 0 BDAELP COc1ccc(C(C)C)cc1[C@@H]([NH3+])C[NH3+] ZINC000044472858 175069527 /nfs/dbraw/zinc/06/95/27/175069527.db2.gz LCDJSMQXWVALGC-NSHDSACASA-N 2 2 208.305 1.777 10 0 BDAELP COc1ccc(C)cc1CC[N@H+](C)CC[NH3+] ZINC000077334588 175073843 /nfs/dbraw/zinc/07/38/43/175073843.db2.gz ZGTOQHGOLIAIAN-UHFFFAOYSA-N 2 2 222.332 1.437 10 0 BDAELP COc1ccc(C)cc1CC[N@@H+](C)CC[NH3+] ZINC000077334588 175073845 /nfs/dbraw/zinc/07/38/45/175073845.db2.gz ZGTOQHGOLIAIAN-UHFFFAOYSA-N 2 2 222.332 1.437 10 0 BDAELP COc1ccc(CC[N@H+](C)CC[NH3+])c(C)c1C ZINC000077373197 175089245 /nfs/dbraw/zinc/08/92/45/175089245.db2.gz GSTXLOVFOFBSFU-UHFFFAOYSA-N 2 2 236.359 1.745 10 0 BDAELP COc1ccc(CC[N@@H+](C)CC[NH3+])c(C)c1C ZINC000077373197 175089247 /nfs/dbraw/zinc/08/92/47/175089247.db2.gz GSTXLOVFOFBSFU-UHFFFAOYSA-N 2 2 236.359 1.745 10 0 BDAELP COc1cccc2[nH+]cn(C3CC[NH2+]CC3)c21 ZINC000215834327 175308584 /nfs/dbraw/zinc/30/85/84/175308584.db2.gz CKDYNTWFINVZJD-UHFFFAOYSA-N 2 2 231.299 1.969 10 0 BDAELP C[C@@H](c1cccnc1)[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539555 176028845 /nfs/dbraw/zinc/02/88/45/176028845.db2.gz SHZOEVLQVCLPDW-WCQYABFASA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H](c1cccnc1)[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000044539555 176028846 /nfs/dbraw/zinc/02/88/46/176028846.db2.gz SHZOEVLQVCLPDW-WCQYABFASA-N 2 2 219.332 1.956 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052484516 176177102 /nfs/dbraw/zinc/17/71/02/176177102.db2.gz WYZIUHYCSVJCPQ-MRVPVSSYSA-N 2 2 211.334 1.444 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2csc(C[NH3+])n2)C1 ZINC000052484516 176177104 /nfs/dbraw/zinc/17/71/04/176177104.db2.gz WYZIUHYCSVJCPQ-MRVPVSSYSA-N 2 2 211.334 1.444 10 0 BDAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCC1 ZINC000042427527 176202969 /nfs/dbraw/zinc/20/29/69/176202969.db2.gz DZRMQCFSBVSNPN-KGLIPLIRSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1CC[C@@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCC1 ZINC000042427527 176202971 /nfs/dbraw/zinc/20/29/71/176202971.db2.gz DZRMQCFSBVSNPN-KGLIPLIRSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1C[N@H+](C[C@](C)([NH3+])C2CC2)CC(C)(C)O1 ZINC000041681534 176301913 /nfs/dbraw/zinc/30/19/13/176301913.db2.gz WTTGKJBFNLDORS-MFKMUULPSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@](C)([NH3+])C2CC2)CC(C)(C)O1 ZINC000041681534 176301915 /nfs/dbraw/zinc/30/19/15/176301915.db2.gz WTTGKJBFNLDORS-MFKMUULPSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1[NH3+] ZINC000235401769 176304802 /nfs/dbraw/zinc/30/48/02/176304802.db2.gz OSAJEOOSHXPQJQ-ABAIWWIYSA-N 2 2 230.355 1.954 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1[NH3+] ZINC000235401769 176304803 /nfs/dbraw/zinc/30/48/03/176304803.db2.gz OSAJEOOSHXPQJQ-ABAIWWIYSA-N 2 2 230.355 1.954 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@]2(C[NH3+])CCCC[C@H]2C)CCO1 ZINC000034679218 176316338 /nfs/dbraw/zinc/31/63/38/176316338.db2.gz QDLLPNOWMYSAOP-JHJVBQTASA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[N@H+]([C@@]2(C[NH3+])CCCC[C@H]2C)CCO1 ZINC000034679218 176316340 /nfs/dbraw/zinc/31/63/40/176316340.db2.gz QDLLPNOWMYSAOP-JHJVBQTASA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[N@@H+]([C@]2(C[NH3+])CCSC2)CC(C)(C)O1 ZINC000045665147 176317722 /nfs/dbraw/zinc/31/77/22/176317722.db2.gz YBZOWYYWZFQSKT-PWSUYJOCSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1C[N@H+]([C@]2(C[NH3+])CCSC2)CC(C)(C)O1 ZINC000045665147 176317724 /nfs/dbraw/zinc/31/77/24/176317724.db2.gz YBZOWYYWZFQSKT-PWSUYJOCSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1C[NH+]=C(N[C@@H]2CCC[N@H+](C)C2)S1 ZINC000040715974 176324893 /nfs/dbraw/zinc/32/48/93/176324893.db2.gz LPJGVQRHWRFWQT-RKDXNWHRSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@@H]1C[NH+]=C(N[C@@H]2CCC[N@@H+](C)C2)S1 ZINC000040715974 176324895 /nfs/dbraw/zinc/32/48/95/176324895.db2.gz LPJGVQRHWRFWQT-RKDXNWHRSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@H]1CCCC[N@@H+]1Cc1csc(C[NH3+])n1 ZINC000052378875 177076394 /nfs/dbraw/zinc/07/63/94/177076394.db2.gz WMDGWLFGAKXABK-VIFPVBQESA-N 2 2 225.361 1.976 10 0 BDAELP C[C@H]1CCCC[N@H+]1Cc1csc(C[NH3+])n1 ZINC000052378875 177076396 /nfs/dbraw/zinc/07/63/96/177076396.db2.gz WMDGWLFGAKXABK-VIFPVBQESA-N 2 2 225.361 1.976 10 0 BDAELP C[C@H]1CC[C@H](C[NH3+])C[N@@H+]1Cc1ncccn1 ZINC000054460294 177201157 /nfs/dbraw/zinc/20/11/57/177201157.db2.gz AMZXIBDOSNOIKW-WDEREUQCSA-N 2 2 220.320 1.036 10 0 BDAELP C[C@H]1CC[C@H](C[NH3+])C[N@H+]1Cc1ncccn1 ZINC000054460294 177201158 /nfs/dbraw/zinc/20/11/58/177201158.db2.gz AMZXIBDOSNOIKW-WDEREUQCSA-N 2 2 220.320 1.036 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccoc1C[NH3+] ZINC000052476466 177267313 /nfs/dbraw/zinc/26/73/13/177267313.db2.gz KSFRNFBUXFXWQW-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccoc1C[NH3+] ZINC000052476466 177267315 /nfs/dbraw/zinc/26/73/15/177267315.db2.gz KSFRNFBUXFXWQW-ZJUUUORDSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[NH+](Cc2occc2C[NH3+])C[C@H](C)O1 ZINC000052380425 177272365 /nfs/dbraw/zinc/27/23/65/177272365.db2.gz OEVKWIDXDPUXNO-UWVGGRQHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1COC[C@H](C)[NH+]1CCC[NH+]1CCCCC1 ZINC000125254484 177299413 /nfs/dbraw/zinc/29/94/13/177299413.db2.gz QZIRUEVQAUUNTG-KBPBESRZSA-N 2 2 240.391 1.972 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000309732790 177330732 /nfs/dbraw/zinc/33/07/32/177330732.db2.gz BOISKBSEOCCNNE-DTWKUNHWSA-N 2 2 230.302 1.999 10 0 BDAELP C[C@H]1C[C@@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000309732790 177330733 /nfs/dbraw/zinc/33/07/33/177330733.db2.gz BOISKBSEOCCNNE-DTWKUNHWSA-N 2 2 230.302 1.999 10 0 BDAELP Cc1cccc(C[N@H+]2C[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000503713339 226333113 /nfs/dbraw/zinc/33/31/13/226333113.db2.gz ZPFYSPGYMLEIPF-KBPBESRZSA-N 2 2 216.328 1.789 10 0 BDAELP Cc1cccc(C[N@@H+]2C[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000503713339 226333114 /nfs/dbraw/zinc/33/31/14/226333114.db2.gz ZPFYSPGYMLEIPF-KBPBESRZSA-N 2 2 216.328 1.789 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccnc1 ZINC000396576365 262806548 /nfs/dbraw/zinc/80/65/48/262806548.db2.gz NEXPLDFFYDEODQ-LOWVWBTDSA-N 2 2 219.332 1.873 10 0 BDAELP c1ccc(NCCC2CC[NH2+]CC2)[nH+]c1 ZINC000082655978 487708222 /nfs/dbraw/zinc/70/82/22/487708222.db2.gz AUGYAZFAXVSDQN-UHFFFAOYSA-N 2 2 205.305 1.883 10 0 BDAELP COCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000228295170 323082172 /nfs/dbraw/zinc/08/21/72/323082172.db2.gz NSZDJLNJJSLDKS-RWMBFGLXSA-N 2 2 228.380 1.730 10 0 BDAELP COCC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000228295170 323082173 /nfs/dbraw/zinc/08/21/73/323082173.db2.gz NSZDJLNJJSLDKS-RWMBFGLXSA-N 2 2 228.380 1.730 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000563350340 323119991 /nfs/dbraw/zinc/11/99/91/323119991.db2.gz WXKOSZDXQYYAKN-VXGBXAGGSA-N 2 2 236.363 1.776 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563350338 323120173 /nfs/dbraw/zinc/12/01/73/323120173.db2.gz WXKOSZDXQYYAKN-NWDGAFQWSA-N 2 2 236.363 1.776 10 0 BDAELP Cc1cnn(CC[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000563440827 323126020 /nfs/dbraw/zinc/12/60/20/323126020.db2.gz SMIGGPZQMGNTSV-UHFFFAOYSA-N 2 2 233.319 1.023 10 0 BDAELP Cc1nc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)co1 ZINC000310247302 488147713 /nfs/dbraw/zinc/14/77/13/488147713.db2.gz JPPSTJHQACYRHR-LBPRGKRZSA-N 2 2 223.320 1.557 10 0 BDAELP Cc1nc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)co1 ZINC000310247302 488147714 /nfs/dbraw/zinc/14/77/14/488147714.db2.gz JPPSTJHQACYRHR-LBPRGKRZSA-N 2 2 223.320 1.557 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000128888945 490594870 /nfs/dbraw/zinc/59/48/70/490594870.db2.gz XDGRUSBUIQJDEY-DYEKYZERSA-N 2 2 238.375 1.770 10 0 BDAELP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C[N@H+]1C1CC1 ZINC000128888945 490594876 /nfs/dbraw/zinc/59/48/76/490594876.db2.gz XDGRUSBUIQJDEY-DYEKYZERSA-N 2 2 238.375 1.770 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccncc2)c[nH+]1 ZINC000136081285 491052716 /nfs/dbraw/zinc/05/27/16/491052716.db2.gz CYLZAONULACFCE-AWEZNQCLSA-N 2 2 242.326 1.943 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccncc2)c[nH+]1 ZINC000136081285 491052718 /nfs/dbraw/zinc/05/27/18/491052718.db2.gz CYLZAONULACFCE-AWEZNQCLSA-N 2 2 242.326 1.943 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224479447 491156198 /nfs/dbraw/zinc/15/61/98/491156198.db2.gz PFIIXOHVFIYNQU-NWDGAFQWSA-N 2 2 244.404 1.050 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CCSC2)C1 ZINC000224479447 491156199 /nfs/dbraw/zinc/15/61/99/491156199.db2.gz PFIIXOHVFIYNQU-NWDGAFQWSA-N 2 2 244.404 1.050 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757124984 582499986 /nfs/dbraw/zinc/49/99/86/582499986.db2.gz COTBLQBOZHRQSR-TUAOUCFPSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757124984 582499988 /nfs/dbraw/zinc/49/99/88/582499988.db2.gz COTBLQBOZHRQSR-TUAOUCFPSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757134062 582510569 /nfs/dbraw/zinc/51/05/69/582510569.db2.gz WAMSSILPBQNZQR-QJPTWQEYSA-N 2 2 214.328 1.951 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757134062 582510571 /nfs/dbraw/zinc/51/05/71/582510571.db2.gz WAMSSILPBQNZQR-QJPTWQEYSA-N 2 2 214.328 1.951 10 0 BDAELP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400420608 528179922 /nfs/dbraw/zinc/17/99/22/528179922.db2.gz WRUHHIZPLPEUML-AVGNSLFASA-N 3 2 227.396 1.304 10 0 BDAELP CCC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129599 582503992 /nfs/dbraw/zinc/50/39/92/582503992.db2.gz MAVTUXWXHWJHJI-CYBMUJFWSA-N 2 2 208.349 1.957 10 0 BDAELP CCC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757129599 582503994 /nfs/dbraw/zinc/50/39/94/582503994.db2.gz MAVTUXWXHWJHJI-CYBMUJFWSA-N 2 2 208.349 1.957 10 0 BDAELP CC(=O)c1ccc([C@@H]2C[C@H](C)[C@H]([NH3+])C[NH2+]2)cc1 ZINC000757218518 582562483 /nfs/dbraw/zinc/56/24/83/582562483.db2.gz VNKGTEPDYZJKMY-FZZIBODNSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1ccc(C=O)s1 ZINC000757218641 582562588 /nfs/dbraw/zinc/56/25/88/582562588.db2.gz VOZGDPVFICZDQJ-FYBVGQRMSA-N 2 2 224.329 1.558 10 0 BDAELP C[C@@H]1CC[C@H]([NH3+])[C@@H](c2cccc(N)c2)[NH2+]1 ZINC000757218742 582563355 /nfs/dbraw/zinc/56/33/55/582563355.db2.gz WVDRUXLMMLWMQN-JFUSQASVSA-N 2 2 205.305 1.409 10 0 BDAELP CC(C)[NH2+]C[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000259138472 582806047 /nfs/dbraw/zinc/80/60/47/582806047.db2.gz CRDNNKNDQBEDPC-LBPRGKRZSA-N 2 2 220.316 1.619 10 0 BDAELP [NH3+][C@H]1CC[C@@H](c2cccc(C=O)c2)[NH2+]C1 ZINC000757216093 586440563 /nfs/dbraw/zinc/44/05/63/586440563.db2.gz PEEHWQJLZIYPNI-RYUDHWBXSA-N 2 2 204.273 1.251 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]CC[C@@H](C)[C@H]2[NH3+])cc1 ZINC000757215893 586440806 /nfs/dbraw/zinc/44/08/06/586440806.db2.gz NZWDGFVQESJCOR-FZQKWOKYSA-N 2 2 232.327 1.887 10 0 BDAELP CC(=O)c1ccc([C@@H]2[NH2+]C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000757217994 586441582 /nfs/dbraw/zinc/44/15/82/586441582.db2.gz UCIJPLQURXPKRG-BIGNPOOSSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1CC[C@@H]([NH3+])[C@@H](c2cnn(C(C)(C)C)c2)[NH2+]1 ZINC000757228634 586442912 /nfs/dbraw/zinc/44/29/12/586442912.db2.gz DFAPWTAFLNKXTF-YUSALJHKSA-N 2 2 236.363 1.778 10 0 BDAELP CC(C)(C)n1cc([C@@H]2[NH2+]CCC[C@@H]2[NH3+])cn1 ZINC000757235850 586443222 /nfs/dbraw/zinc/44/32/22/586443222.db2.gz MXQAGOWHVHDLIH-QWRGUYRKSA-N 2 2 222.336 1.390 10 0 BDAELP [NH3+]Cc1nc(C[N@@H+]2CCC3(CCCC3)C2)no1 ZINC000302438076 592547363 /nfs/dbraw/zinc/54/73/63/592547363.db2.gz TZMSEKQMWWTFEY-UHFFFAOYSA-N 2 2 236.319 1.294 10 0 BDAELP [NH3+]Cc1nc(C[N@H+]2CCC3(CCCC3)C2)no1 ZINC000302438076 592547366 /nfs/dbraw/zinc/54/73/66/592547366.db2.gz TZMSEKQMWWTFEY-UHFFFAOYSA-N 2 2 236.319 1.294 10 0 BDAELP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](C)O ZINC000336777378 635287288 /nfs/dbraw/zinc/28/72/88/635287288.db2.gz IHAFRPZKABHZBR-BDAKNGLRSA-N 2 2 243.376 1.064 10 0 BDAELP [NH3+][C@H]1CC[N@@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000044677401 640452969 /nfs/dbraw/zinc/45/29/69/640452969.db2.gz RVVLAKYTNMYFKE-RWMBFGLXSA-N 2 2 202.301 1.576 10 0 BDAELP [NH3+][C@H]1CC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000044677401 640452972 /nfs/dbraw/zinc/45/29/72/640452972.db2.gz RVVLAKYTNMYFKE-RWMBFGLXSA-N 2 2 202.301 1.576 10 0 BDAELP C[C@@H](C[NH+](C)C)[NH2+]CCc1ccccc1 ZINC000159067363 641663541 /nfs/dbraw/zinc/66/35/41/641663541.db2.gz QRZCGDOEVGHLJZ-LBPRGKRZSA-N 2 2 206.333 1.769 10 0 BDAELP [NH3+]C[C@H]1CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000757149098 643332780 /nfs/dbraw/zinc/33/27/80/643332780.db2.gz XKFTXZGWUPZNFT-NXEZZACHSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@H]1CC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000757149098 643332787 /nfs/dbraw/zinc/33/27/87/643332787.db2.gz XKFTXZGWUPZNFT-NXEZZACHSA-N 2 2 218.291 1.845 10 0 BDAELP CCOC(=O)[C@@](C)([NH3+])C[C@H](C)n1cc[nH+]c1 ZINC000082800122 643383065 /nfs/dbraw/zinc/38/30/65/643383065.db2.gz ARYQAEGUGFLWIS-ONGXEEELSA-N 2 2 225.292 1.115 10 0 BDAELP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)O1 ZINC000722387912 711753163 /nfs/dbraw/zinc/75/31/63/711753163.db2.gz ALWRZFJJRVBIBG-VGMNWLOBSA-N 2 2 238.253 1.048 10 0 BDAELP CC1(C)CC[C@@H](C[N@@H+]2CCC[C@H]2C[NH3+])OC1 ZINC000713592121 712466145 /nfs/dbraw/zinc/46/61/45/712466145.db2.gz MECQLYPAKDZWRL-RYUDHWBXSA-N 2 2 226.364 1.615 10 0 BDAELP CC1(C)CC[C@@H](C[N@H+]2CCC[C@H]2C[NH3+])OC1 ZINC000713592121 712466147 /nfs/dbraw/zinc/46/61/47/712466147.db2.gz MECQLYPAKDZWRL-RYUDHWBXSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000721863250 711791857 /nfs/dbraw/zinc/79/18/57/711791857.db2.gz IORIYQCPACGPHE-MWLCHTKSSA-N 2 2 230.315 1.593 10 0 BDAELP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H]2C[NH3+])O1 ZINC000714350998 712483274 /nfs/dbraw/zinc/48/32/74/712483274.db2.gz WPHKUZMLCBDLSC-NWDGAFQWSA-N 2 2 226.364 1.757 10 0 BDAELP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H]2C[NH3+])O1 ZINC000714350998 712483275 /nfs/dbraw/zinc/48/32/75/712483275.db2.gz WPHKUZMLCBDLSC-NWDGAFQWSA-N 2 2 226.364 1.757 10 0 BDAELP C([NH2+][C@H]1CC[NH2+]C1)[C@H]1CCC2(CCC2)CO1 ZINC000716592488 712564405 /nfs/dbraw/zinc/56/44/05/712564405.db2.gz FDXVQLVZPFQXMK-NWDGAFQWSA-N 2 2 224.348 1.287 10 0 BDAELP CC(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000111689860 712688532 /nfs/dbraw/zinc/68/85/32/712688532.db2.gz FDFGDSRMBIYDDI-CYBMUJFWSA-N 2 2 235.331 1.493 10 0 BDAELP CC(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000111689860 712688533 /nfs/dbraw/zinc/68/85/33/712688533.db2.gz FDFGDSRMBIYDDI-CYBMUJFWSA-N 2 2 235.331 1.493 10 0 BDAELP Cc1conc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000720378519 712837217 /nfs/dbraw/zinc/83/72/17/712837217.db2.gz HPFIWZVBAFZRAK-HBNTYKKESA-N 2 2 221.304 1.152 10 0 BDAELP Cc1conc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000720378519 712837218 /nfs/dbraw/zinc/83/72/18/712837218.db2.gz HPFIWZVBAFZRAK-HBNTYKKESA-N 2 2 221.304 1.152 10 0 BDAELP CC(C)[C@@H](C)[N@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720880690 712873916 /nfs/dbraw/zinc/87/39/16/712873916.db2.gz SDFNPIPWBLMACQ-IWSPIJDZSA-N 2 2 224.270 1.852 10 0 BDAELP CC(C)[C@@H](C)[N@@H+]1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720880690 712873917 /nfs/dbraw/zinc/87/39/17/712873917.db2.gz SDFNPIPWBLMACQ-IWSPIJDZSA-N 2 2 224.270 1.852 10 0 BDAELP CCC(CC)(C[NH3+])[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000019427233 168323050 /nfs/dbraw/zinc/32/30/50/168323050.db2.gz FYWFOHBVTJAGJA-GHMZBOCLSA-N 2 2 214.353 1.613 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616612046 349472603 /nfs/dbraw/zinc/47/26/03/349472603.db2.gz MHPVCFRACRUSIW-CYBMUJFWSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2ccc3nnccc3c2)C1 ZINC000616612046 349472606 /nfs/dbraw/zinc/47/26/06/349472606.db2.gz MHPVCFRACRUSIW-CYBMUJFWSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccncc1 ZINC000616615347 398174715 /nfs/dbraw/zinc/17/47/15/398174715.db2.gz WPNWUDKEFYYMGS-GFCCVEGCSA-N 2 2 205.305 1.567 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccncc1 ZINC000616615347 398174719 /nfs/dbraw/zinc/17/47/19/398174719.db2.gz WPNWUDKEFYYMGS-GFCCVEGCSA-N 2 2 205.305 1.567 10 0 BDAELP C[C@@]1([C@H]2CCC[NH2+]C2)[NH2+]CCCS1 ZINC000575517202 398174798 /nfs/dbraw/zinc/17/47/98/398174798.db2.gz IKQVZBDQKBOORL-VHSXEESVSA-N 2 2 200.351 1.429 10 0 BDAELP CC(C)[C@H](CCO)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386375234 398207587 /nfs/dbraw/zinc/20/75/87/398207587.db2.gz ZMPPKLOPPQWGBX-RYUDHWBXSA-N 2 2 214.353 1.077 10 0 BDAELP CC(C)[C@H](CCO)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386375234 398207592 /nfs/dbraw/zinc/20/75/92/398207592.db2.gz ZMPPKLOPPQWGBX-RYUDHWBXSA-N 2 2 214.353 1.077 10 0 BDAELP Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)cc[nH+]1 ZINC000082248070 178148142 /nfs/dbraw/zinc/14/81/42/178148142.db2.gz KWNBHTKDMGRZBI-LLVKDONJSA-N 2 2 219.288 1.471 10 0 BDAELP Cc1cc(OCC[NH3+])c2ccccc2[nH+]1 ZINC000051870078 178211603 /nfs/dbraw/zinc/21/16/03/178211603.db2.gz DEMXPVIEWCWWLH-UHFFFAOYSA-N 2 2 202.257 1.881 10 0 BDAELP Cc1cc2[nH+]cn(CCC(N)=[NH2+])c2cc1C ZINC000019510501 178305757 /nfs/dbraw/zinc/30/57/57/178305757.db2.gz KIXJSOBLHFJNDW-UHFFFAOYSA-N 2 2 216.288 1.979 10 0 BDAELP CCC(CC)[N@H+](C)CC[C@@H]([NH2+]C1CC1)C(N)=O ZINC000062448892 168368613 /nfs/dbraw/zinc/36/86/13/168368613.db2.gz JHQRLGKCLAISKY-GFCCVEGCSA-N 2 2 241.379 1.103 10 0 BDAELP CCC(CC)[N@@H+](C)CC[C@@H]([NH2+]C1CC1)C(N)=O ZINC000062448892 168368615 /nfs/dbraw/zinc/36/86/15/168368615.db2.gz JHQRLGKCLAISKY-GFCCVEGCSA-N 2 2 241.379 1.103 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccc3ccnnc32)C1 ZINC000616612601 349585055 /nfs/dbraw/zinc/58/50/55/349585055.db2.gz WEFKZUJDUDJHKK-GFCCVEGCSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccc3ccnnc32)C1 ZINC000616612601 349585056 /nfs/dbraw/zinc/58/50/56/349585056.db2.gz WEFKZUJDUDJHKK-GFCCVEGCSA-N 2 2 242.326 1.378 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CCC[C@H]([NH3+])C1 ZINC000336297641 398317789 /nfs/dbraw/zinc/31/77/89/398317789.db2.gz OJWJHSGBRZCVKB-NSHDSACASA-N 2 2 222.336 1.387 10 0 BDAELP c1nc(N[C@@H]2CCC[NH2+]C2)cc(N2CCCC2)[nH+]1 ZINC000045948149 343013372 /nfs/dbraw/zinc/01/33/72/343013372.db2.gz IDCXMAFUSAFPDT-LLVKDONJSA-N 2 2 247.346 1.241 10 0 BDAELP CC[C@H]([NH2+][C@H]1CCC[N@H+](CC)C1)[C@@H]1CCOC1 ZINC000305251329 529669786 /nfs/dbraw/zinc/66/97/86/529669786.db2.gz ZOPFOLRNHQGBIC-RDBSUJKOSA-N 2 2 240.391 1.875 10 0 BDAELP CC[C@H]([NH2+][C@H]1CCC[N@@H+](CC)C1)[C@@H]1CCOC1 ZINC000305251329 529669787 /nfs/dbraw/zinc/66/97/87/529669787.db2.gz ZOPFOLRNHQGBIC-RDBSUJKOSA-N 2 2 240.391 1.875 10 0 BDAELP CCOc1cc([C@H]([NH3+])C[NH3+])ccc1OC ZINC000072200757 343069741 /nfs/dbraw/zinc/06/97/41/343069741.db2.gz VWBTZDSUUWFGCW-SECBINFHSA-N 2 2 210.277 1.052 10 0 BDAELP C1CC[C@@H]2[NH2+]CC[C@@H]([NH+]3CCOCC3)[C@@H]2C1 ZINC000107258360 343075645 /nfs/dbraw/zinc/07/56/45/343075645.db2.gz JFGNOTYXPQYBOV-FRRDWIJNSA-N 2 2 224.348 1.239 10 0 BDAELP CC[C@H](O)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000049555755 343111869 /nfs/dbraw/zinc/11/18/69/343111869.db2.gz YBWYXZZDEMLJFQ-NEPJUHHUSA-N 2 2 216.369 1.323 10 0 BDAELP C1CC[C@@H]2[C@@H](C1)[NH2+]CC[C@@H]2[NH+]1CCOCC1 ZINC000250831361 343123850 /nfs/dbraw/zinc/12/38/50/343123850.db2.gz JFGNOTYXPQYBOV-UPJWGTAASA-N 2 2 224.348 1.239 10 0 BDAELP CC(C)[N@@H+]1CC[C@@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712057616 537784302 /nfs/dbraw/zinc/78/43/02/537784302.db2.gz DGLMUHSHIYHHNV-CYBMUJFWSA-N 3 2 237.391 1.425 10 0 BDAELP C[C@@H]1CC[N@H+](C[Si](C)(C)C)C[C@@H]1[NH3+] ZINC000401834544 343735770 /nfs/dbraw/zinc/73/57/70/343735770.db2.gz DKGROMFQRKJBTK-ZJUUUORDSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@@H]1CC[N@@H+](C[Si](C)(C)C)C[C@@H]1[NH3+] ZINC000401834544 343735771 /nfs/dbraw/zinc/73/57/71/343735771.db2.gz DKGROMFQRKJBTK-ZJUUUORDSA-N 2 2 200.402 1.533 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@H+](CCC(F)(F)F)C1 ZINC000063101182 343749229 /nfs/dbraw/zinc/74/92/29/343749229.db2.gz WVIRRRXITZIGKG-MRVPVSSYSA-N 2 2 210.243 1.480 10 0 BDAELP C[C@@H]1C[NH2+]CC[N@@H+](CCC(F)(F)F)C1 ZINC000063101182 343749232 /nfs/dbraw/zinc/74/92/32/343749232.db2.gz WVIRRRXITZIGKG-MRVPVSSYSA-N 2 2 210.243 1.480 10 0 BDAELP CC[C@H](C)c1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000409427704 343801551 /nfs/dbraw/zinc/80/15/51/343801551.db2.gz BVKSVVAITCYKHT-JTQLQIEISA-N 2 2 234.347 1.708 10 0 BDAELP CCCCc1cc(N2CC[NH2+]CC2)nc(C)[nH+]1 ZINC000409432584 343826913 /nfs/dbraw/zinc/82/69/13/343826913.db2.gz WEIBBYBGMHYEHH-UHFFFAOYSA-N 2 2 234.347 1.537 10 0 BDAELP C[NH2+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000409442623 343858539 /nfs/dbraw/zinc/85/85/39/343858539.db2.gz YGVOCONEHPTSEX-OLZOCXBDSA-N 2 2 204.317 1.917 10 0 BDAELP CC(C)c1cccc([C@]2([NH3+])CC[NH2+]C2)c1 ZINC000142442868 344329210 /nfs/dbraw/zinc/32/92/10/344329210.db2.gz HJPNHOYKLBQPCG-ZDUSSCGKSA-N 2 2 204.317 1.957 10 0 BDAELP c1cc2c(cccc2C[NH2+][C@@H]2CC[NH2+]C2)[nH]1 ZINC000635010622 345212883 /nfs/dbraw/zinc/21/28/83/345212883.db2.gz ASOOVEYLLAYJNL-LLVKDONJSA-N 2 2 215.300 1.619 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378412 537965692 /nfs/dbraw/zinc/96/56/92/537965692.db2.gz DMZJLPXVXFRWJC-FRRDWIJNSA-N 3 2 225.380 1.045 10 0 BDAELP C[C@@H]1CCCC[N@H+]1C[C@H]1C[NH2+]C[C@H](C[NH3+])C1 ZINC000669378412 537965697 /nfs/dbraw/zinc/96/56/97/537965697.db2.gz DMZJLPXVXFRWJC-FRRDWIJNSA-N 3 2 225.380 1.045 10 0 BDAELP Cc1cccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)n1 ZINC000051577671 179080070 /nfs/dbraw/zinc/08/00/70/179080070.db2.gz FRAGBXBMNFXCJL-LLVKDONJSA-N 2 2 219.332 1.431 10 0 BDAELP Cc1cccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)n1 ZINC000051577671 179080071 /nfs/dbraw/zinc/08/00/71/179080071.db2.gz FRAGBXBMNFXCJL-LLVKDONJSA-N 2 2 219.332 1.431 10 0 BDAELP CCC(F)(F)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000641798948 362746307 /nfs/dbraw/zinc/74/63/07/362746307.db2.gz RDTFOUKGDXPLBE-LPEHRKFASA-N 2 2 218.291 1.701 10 0 BDAELP CCC(F)(F)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000641798948 362746309 /nfs/dbraw/zinc/74/63/09/362746309.db2.gz RDTFOUKGDXPLBE-LPEHRKFASA-N 2 2 218.291 1.701 10 0 BDAELP Cc1cccc(C[C@@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000052127821 179104824 /nfs/dbraw/zinc/10/48/24/179104824.db2.gz WBVGNLUVJCGPCG-GFCCVEGCSA-N 2 2 215.300 1.831 10 0 BDAELP C[C@@H]([NH3+])c1ccc(Cn2cc[nH+]c2)cc1 ZINC000059834944 347231168 /nfs/dbraw/zinc/23/11/68/347231168.db2.gz HYXVSPFIELVLJR-SNVBAGLBSA-N 2 2 201.273 1.951 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@H]1CCCO1 ZINC000250237991 362796843 /nfs/dbraw/zinc/79/68/43/362796843.db2.gz PFQYGIUWCFMNRW-UONOGXRCSA-N 2 2 234.343 1.625 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@H]1CCCO1 ZINC000250237991 362796852 /nfs/dbraw/zinc/79/68/52/362796852.db2.gz PFQYGIUWCFMNRW-UONOGXRCSA-N 2 2 234.343 1.625 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000042966821 179198844 /nfs/dbraw/zinc/19/88/44/179198844.db2.gz VJMKWEICQAGMTD-CABCVRRESA-N 2 2 248.370 1.842 10 0 BDAELP Cc1cccc([C@H](C[NH3+])[N@H+]2CCCC[C@@H]2CO)c1 ZINC000042966821 179198848 /nfs/dbraw/zinc/19/88/48/179198848.db2.gz VJMKWEICQAGMTD-CABCVRRESA-N 2 2 248.370 1.842 10 0 BDAELP Cc1ccccc1Cn1c[nH+]c(CC[NH3+])c1 ZINC000071519332 179294806 /nfs/dbraw/zinc/29/48/06/179294806.db2.gz KHPJQQMAVMETSI-UHFFFAOYSA-N 2 2 215.300 1.741 10 0 BDAELP Cc1ccccc1NC(=O)C[N@@H+](C)[C@@H](C)CC[NH3+] ZINC000063086739 179298468 /nfs/dbraw/zinc/29/84/68/179298468.db2.gz IZQGLRWPFKEELO-LBPRGKRZSA-N 2 2 249.358 1.603 10 0 BDAELP Cc1ccccc1NC(=O)C[N@H+](C)[C@@H](C)CC[NH3+] ZINC000063086739 179298472 /nfs/dbraw/zinc/29/84/72/179298472.db2.gz IZQGLRWPFKEELO-LBPRGKRZSA-N 2 2 249.358 1.603 10 0 BDAELP Cc1ccccc1[C@H](C[NH3+])[NH+]1CCC(CO)CC1 ZINC000020178955 179342618 /nfs/dbraw/zinc/34/26/18/179342618.db2.gz SCXSHVJWIVUMJE-HNNXBMFYSA-N 2 2 248.370 1.699 10 0 BDAELP C[NH2+]C[C@H](Cc1cccc(O)c1)[NH+](C)C ZINC000498035908 362926070 /nfs/dbraw/zinc/92/60/70/362926070.db2.gz XWTOXXBERRGGLY-NSHDSACASA-N 2 2 208.305 1.084 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)[C@H](C)[NH3+] ZINC000251832067 362932162 /nfs/dbraw/zinc/93/21/62/362932162.db2.gz QBBMKSDBACKGMZ-VPOLOUISSA-N 2 2 200.326 1.221 10 0 BDAELP CC[C@@H]1CO[C@H](C)C[N@H+]1[C@@H](C)[C@H](C)[NH3+] ZINC000251832067 362932167 /nfs/dbraw/zinc/93/21/67/362932167.db2.gz QBBMKSDBACKGMZ-VPOLOUISSA-N 2 2 200.326 1.221 10 0 BDAELP C[C@H]1[C@H](O)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000313846418 350166118 /nfs/dbraw/zinc/16/61/18/350166118.db2.gz BNQIPRPPHAYROL-WCQYABFASA-N 2 2 237.347 1.198 10 0 BDAELP C[C@H]1[C@H](O)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000313846418 350166122 /nfs/dbraw/zinc/16/61/22/350166122.db2.gz BNQIPRPPHAYROL-WCQYABFASA-N 2 2 237.347 1.198 10 0 BDAELP Cc1[nH+]c2ccccc2n1CC[NH2+]C1COC1 ZINC000158708269 180104146 /nfs/dbraw/zinc/10/41/46/180104146.db2.gz TXSFTNVTBFAVEY-UHFFFAOYSA-N 2 2 231.299 1.333 10 0 BDAELP Cc1[nH+]cc(CSC(N)=[NH2+])c(C)c1O ZINC000039109053 180162298 /nfs/dbraw/zinc/16/22/98/180162298.db2.gz OYUJGHXJUOWEJD-UHFFFAOYSA-N 2 2 211.290 1.531 10 0 BDAELP Cc1nc(N[C@@H](C)CCCC[NH3+])cc[nH+]1 ZINC000308877928 180202819 /nfs/dbraw/zinc/20/28/19/180202819.db2.gz DJIXCSVAFZUHNZ-VIFPVBQESA-N 2 2 208.309 1.714 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](C)O ZINC000248715639 180264441 /nfs/dbraw/zinc/26/44/41/180264441.db2.gz DUZIPQHNXQPPFF-JQWIXIFHSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](C)O ZINC000248715639 180264451 /nfs/dbraw/zinc/26/44/51/180264451.db2.gz DUZIPQHNXQPPFF-JQWIXIFHSA-N 2 2 223.320 1.037 10 0 BDAELP C[C@@H]([NH3+])[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223376021 350274281 /nfs/dbraw/zinc/27/42/81/350274281.db2.gz PVTYKQLPBOVJQQ-OPRDCNLKSA-N 2 2 200.326 1.221 10 0 BDAELP C[C@@H]([NH3+])[C@@H](C)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223376021 350274283 /nfs/dbraw/zinc/27/42/83/350274283.db2.gz PVTYKQLPBOVJQQ-OPRDCNLKSA-N 2 2 200.326 1.221 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cocn1 ZINC000191948331 180269281 /nfs/dbraw/zinc/26/92/81/180269281.db2.gz LNINELLPRLQCFQ-CYBMUJFWSA-N 2 2 246.314 1.844 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cocn1 ZINC000191948331 180269284 /nfs/dbraw/zinc/26/92/84/180269284.db2.gz LNINELLPRLQCFQ-CYBMUJFWSA-N 2 2 246.314 1.844 10 0 BDAELP C[C@@H]1CC[NH2+][C@@H]1C[NH+]1CCSCC1 ZINC000226855354 350460399 /nfs/dbraw/zinc/46/03/99/350460399.db2.gz UIVSPAVVMRBCRT-NXEZZACHSA-N 2 2 200.351 1.033 10 0 BDAELP c1cn(C[C@@H]2CCC[N@@H+]2CC2CCOCC2)c[nH+]1 ZINC000163165828 350508585 /nfs/dbraw/zinc/50/85/85/350508585.db2.gz FSXLPOYESAFWPC-AWEZNQCLSA-N 2 2 249.358 1.774 10 0 BDAELP c1cn(C[C@@H]2CCC[N@H+]2CC2CCOCC2)c[nH+]1 ZINC000163165828 350508591 /nfs/dbraw/zinc/50/85/91/350508591.db2.gz FSXLPOYESAFWPC-AWEZNQCLSA-N 2 2 249.358 1.774 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000336652482 350581048 /nfs/dbraw/zinc/58/10/48/350581048.db2.gz IKSUCLIZZSFNFG-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000336652482 350581051 /nfs/dbraw/zinc/58/10/51/350581051.db2.gz IKSUCLIZZSFNFG-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336654074 350597688 /nfs/dbraw/zinc/59/76/88/350597688.db2.gz JYAZMTBJFHXYCZ-CHWSQXEVSA-N 3 2 227.396 1.578 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCCC[NH3+])C1 ZINC000336654074 350597690 /nfs/dbraw/zinc/59/76/90/350597690.db2.gz JYAZMTBJFHXYCZ-CHWSQXEVSA-N 3 2 227.396 1.578 10 0 BDAELP Nc1cccc([C@H]2CCCC[N@H+](CC[NH3+])C2)n1 ZINC000616605338 350794900 /nfs/dbraw/zinc/79/49/00/350794900.db2.gz YUCSPAFLSRVLGY-NSHDSACASA-N 2 2 234.347 1.192 10 0 BDAELP Nc1cccc([C@H]2CCCC[N@@H+](CC[NH3+])C2)n1 ZINC000616605338 350794903 /nfs/dbraw/zinc/79/49/03/350794903.db2.gz YUCSPAFLSRVLGY-NSHDSACASA-N 2 2 234.347 1.192 10 0 BDAELP CNc1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC000616607816 350801870 /nfs/dbraw/zinc/80/18/70/350801870.db2.gz NABKPZDANSYLCG-CYBMUJFWSA-N 2 2 219.332 1.824 10 0 BDAELP CNc1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC000616607816 350801873 /nfs/dbraw/zinc/80/18/73/350801873.db2.gz NABKPZDANSYLCG-CYBMUJFWSA-N 2 2 219.332 1.824 10 0 BDAELP Nc1ccccc1[C@@H]1CCCC[N@@H+]1CC[NH3+] ZINC000616616686 350857647 /nfs/dbraw/zinc/85/76/47/350857647.db2.gz SZBZADCZBRJCOJ-ZDUSSCGKSA-N 2 2 219.332 1.755 10 0 BDAELP Nc1ccccc1[C@@H]1CCCC[N@H+]1CC[NH3+] ZINC000616616686 350857648 /nfs/dbraw/zinc/85/76/48/350857648.db2.gz SZBZADCZBRJCOJ-ZDUSSCGKSA-N 2 2 219.332 1.755 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1csc(Br)c1 ZINC000306709190 350859964 /nfs/dbraw/zinc/85/99/64/350859964.db2.gz LLLPDNIJJSNFLR-YFKPBYRVSA-N 2 2 221.123 1.469 10 0 BDAELP [NH3+]CC[NH+]1CCC(c2cccc(CO)c2)CC1 ZINC000616619139 350926716 /nfs/dbraw/zinc/92/67/16/350926716.db2.gz FZKQLTVBUXEXHG-UHFFFAOYSA-N 2 2 234.343 1.317 10 0 BDAELP COc1ccc([C@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616619832 350928519 /nfs/dbraw/zinc/92/85/19/350928519.db2.gz BBTVDYMKGKFSSI-ZDUSSCGKSA-N 2 2 234.343 1.833 10 0 BDAELP COc1ccc([C@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616619832 350928521 /nfs/dbraw/zinc/92/85/21/350928521.db2.gz BBTVDYMKGKFSSI-ZDUSSCGKSA-N 2 2 234.343 1.833 10 0 BDAELP CC[C@@H]([NH3+])C[N@H+](CCOC)Cc1ccccc1 ZINC000306742300 350931792 /nfs/dbraw/zinc/93/17/92/350931792.db2.gz VPXSSJVVGDSGAH-CQSZACIVSA-N 2 2 236.359 1.872 10 0 BDAELP CC[C@@H]([NH3+])C[N@@H+](CCOC)Cc1ccccc1 ZINC000306742300 350931797 /nfs/dbraw/zinc/93/17/97/350931797.db2.gz VPXSSJVVGDSGAH-CQSZACIVSA-N 2 2 236.359 1.872 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616620429 350938538 /nfs/dbraw/zinc/93/85/38/350938538.db2.gz JLPGEOCLIZPBEP-OAHLLOKOSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccc(CCO)cc2)C1 ZINC000616620429 350938540 /nfs/dbraw/zinc/93/85/40/350938540.db2.gz JLPGEOCLIZPBEP-OAHLLOKOSA-N 2 2 248.370 1.360 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ncccn2)CC1 ZINC000616630488 351103626 /nfs/dbraw/zinc/10/36/26/351103626.db2.gz ZHIYOFZPOPXARD-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ncccn2)CC1 ZINC000616630488 351103630 /nfs/dbraw/zinc/10/36/30/351103630.db2.gz ZHIYOFZPOPXARD-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616626647 351106371 /nfs/dbraw/zinc/10/63/71/351106371.db2.gz ULGJEOYHDCPYBD-LLVKDONJSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cnnc3ccccc32)C1 ZINC000616626647 351106373 /nfs/dbraw/zinc/10/63/73/351106373.db2.gz ULGJEOYHDCPYBD-LLVKDONJSA-N 2 2 242.326 1.378 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1ccccc1CCO ZINC000616622994 351088698 /nfs/dbraw/zinc/08/86/98/351088698.db2.gz AURLCNXMEAIKQO-OAHLLOKOSA-N 2 2 248.370 1.707 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1ccccc1CCO ZINC000616622994 351088699 /nfs/dbraw/zinc/08/86/99/351088699.db2.gz AURLCNXMEAIKQO-OAHLLOKOSA-N 2 2 248.370 1.707 10 0 BDAELP CC(C)(C)[N@@H+]1CCO[C@@H](n2cc[nH+]c2)C1 ZINC000616645248 351167414 /nfs/dbraw/zinc/16/74/14/351167414.db2.gz OIOOPMQNWJVFCF-SNVBAGLBSA-N 2 2 209.293 1.512 10 0 BDAELP CC(C)(C)[N@H+]1CCO[C@@H](n2cc[nH+]c2)C1 ZINC000616645248 351167415 /nfs/dbraw/zinc/16/74/15/351167415.db2.gz OIOOPMQNWJVFCF-SNVBAGLBSA-N 2 2 209.293 1.512 10 0 BDAELP [NH3+]CCC[N@@H+]1CCC=C(Br)C1 ZINC000404472487 351472351 /nfs/dbraw/zinc/47/23/51/351472351.db2.gz LOMNTXSNTMLDPC-UHFFFAOYSA-N 2 2 219.126 1.320 10 0 BDAELP [NH3+]CCC[N@H+]1CCC=C(Br)C1 ZINC000404472487 351472352 /nfs/dbraw/zinc/47/23/52/351472352.db2.gz LOMNTXSNTMLDPC-UHFFFAOYSA-N 2 2 219.126 1.320 10 0 BDAELP C[NH2+][C@]1(CO)CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000307262140 351808801 /nfs/dbraw/zinc/80/88/01/351808801.db2.gz RKFXXEBUWPUUGD-JSGCOSHPSA-N 2 2 234.343 1.231 10 0 BDAELP C[NH2+][C@]1(CO)CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000307262140 351808806 /nfs/dbraw/zinc/80/88/06/351808806.db2.gz RKFXXEBUWPUUGD-JSGCOSHPSA-N 2 2 234.343 1.231 10 0 BDAELP C[C@@H]1CS[C@@](C)([C@H]2CCCC[NH2+]2)[NH2+]1 ZINC000307373534 352472193 /nfs/dbraw/zinc/47/21/93/352472193.db2.gz SGWZBFOOQXUAPO-BBBLOLIVSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@@H+]1C ZINC000307485718 352620677 /nfs/dbraw/zinc/62/06/77/352620677.db2.gz BHFXLHOBJFAKQW-XGEHTFHBSA-N 2 2 204.264 1.322 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C[N@H+]1C ZINC000307485718 352620680 /nfs/dbraw/zinc/62/06/80/352620680.db2.gz BHFXLHOBJFAKQW-XGEHTFHBSA-N 2 2 204.264 1.322 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336754649 353145562 /nfs/dbraw/zinc/14/55/62/353145562.db2.gz FTRYHXVZJHYGRF-CHWSQXEVSA-N 2 2 226.364 1.487 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336754649 353145564 /nfs/dbraw/zinc/14/55/64/353145564.db2.gz FTRYHXVZJHYGRF-CHWSQXEVSA-N 2 2 226.364 1.487 10 0 BDAELP Cc1cc(NC[C@@H]2CCCC[NH2+]2)c(C#N)c[nH+]1 ZINC000399031292 353715883 /nfs/dbraw/zinc/71/58/83/353715883.db2.gz JPHJEFGDMCGUHX-LBPRGKRZSA-N 2 2 230.315 1.238 10 0 BDAELP O[C@@]12CCCC[C@H]1C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000220391708 353838666 /nfs/dbraw/zinc/83/86/66/353838666.db2.gz JTMVGIDWAWFNEJ-UONOGXRCSA-N 2 2 249.358 1.510 10 0 BDAELP O[C@@]12CCCC[C@H]1C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000220391708 353838668 /nfs/dbraw/zinc/83/86/68/353838668.db2.gz JTMVGIDWAWFNEJ-UONOGXRCSA-N 2 2 249.358 1.510 10 0 BDAELP C[N@H+](Cc1ccno1)[C@@H]1CCC[NH2+]CC1 ZINC000231669443 363347914 /nfs/dbraw/zinc/34/79/14/363347914.db2.gz XYWUTZLNSFEORP-SNVBAGLBSA-N 2 2 209.293 1.249 10 0 BDAELP C[N@@H+](Cc1ccno1)[C@@H]1CCC[NH2+]CC1 ZINC000231669443 363347919 /nfs/dbraw/zinc/34/79/19/363347919.db2.gz XYWUTZLNSFEORP-SNVBAGLBSA-N 2 2 209.293 1.249 10 0 BDAELP c1ccc2c(c1)OC[C@@H]2C[NH2+][C@H]1CC[NH2+]C1 ZINC000335222520 355063609 /nfs/dbraw/zinc/06/36/09/355063609.db2.gz HACUTPUBSIVZHW-QWRGUYRKSA-N 2 2 218.300 1.114 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)C1 ZINC000389117268 355693494 /nfs/dbraw/zinc/69/34/94/355693494.db2.gz BLRVBKSXYXYJDO-JQWIXIFHSA-N 2 2 236.363 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BDAELP [NH3+][C@H]1C=C(Cc2ccc(Cl)cc2)C[NH2+]C1 ZINC000675077776 538514267 /nfs/dbraw/zinc/51/42/67/538514267.db2.gz INUFWZWBWSLCKM-LBPRGKRZSA-N 2 2 222.719 1.739 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2cncc(Cl)c2)C[NH2+]C1 ZINC000675078231 538514897 /nfs/dbraw/zinc/51/48/97/538514897.db2.gz OCCLASNPQVHWBV-LLVKDONJSA-N 2 2 223.707 1.134 10 0 BDAELP Cc1cc(F)cc(C2=C[C@H]([NH3+])C[NH2+]C2)c1 ZINC000675077982 538515258 /nfs/dbraw/zinc/51/52/58/538515258.db2.gz LRNNVYMXTBOEFH-LBPRGKRZSA-N 2 2 206.264 1.448 10 0 BDAELP COc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)cc1 ZINC000675078267 538516028 /nfs/dbraw/zinc/51/60/28/538516028.db2.gz OGSGPKLJLWIGJO-NSHDSACASA-N 2 2 204.273 1.009 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000389500697 356694509 /nfs/dbraw/zinc/69/45/09/356694509.db2.gz BXFAXYYTXVQARX-WUHRBBMRSA-N 2 2 208.349 1.859 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000389500697 356694511 /nfs/dbraw/zinc/69/45/11/356694511.db2.gz 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360426807 /nfs/dbraw/zinc/42/68/07/360426807.db2.gz DNUWWUMCCZSRQR-KXUCPTDWSA-N 2 2 200.351 1.427 10 0 BDAELP CC(C)([NH3+])C[N@@H+]1CCS[C@@H]2CCC[C@H]21 ZINC000306554414 360427809 /nfs/dbraw/zinc/42/78/09/360427809.db2.gz BTNOIGCKTSZLBZ-NXEZZACHSA-N 2 2 214.378 1.694 10 0 BDAELP CC(C)([NH3+])C[N@H+]1CCS[C@@H]2CCC[C@H]21 ZINC000306554414 360427812 /nfs/dbraw/zinc/42/78/12/360427812.db2.gz BTNOIGCKTSZLBZ-NXEZZACHSA-N 2 2 214.378 1.694 10 0 BDAELP COC[C@H](C)C[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000151731849 360712677 /nfs/dbraw/zinc/71/26/77/360712677.db2.gz DPYOCDNTDIEKOG-UPJWGTAASA-N 2 2 228.380 1.587 10 0 BDAELP COC[C@H](C)C[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000151731849 360712680 /nfs/dbraw/zinc/71/26/80/360712680.db2.gz DPYOCDNTDIEKOG-UPJWGTAASA-N 2 2 228.380 1.587 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cccnc2C)[C@@](C)(C[NH3+])C1 ZINC000630368890 364086486 /nfs/dbraw/zinc/08/64/86/364086486.db2.gz UAPVRRMIWIYOFU-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cccnc2C)[C@@](C)(C[NH3+])C1 ZINC000630368890 364086488 /nfs/dbraw/zinc/08/64/88/364086488.db2.gz UAPVRRMIWIYOFU-UONOGXRCSA-N 2 2 249.358 1.328 10 0 BDAELP c1cn(C2CC(C[NH2+]CC3CC3)C2)c[nH+]1 ZINC000725269817 541339117 /nfs/dbraw/zinc/33/91/17/541339117.db2.gz ZNMSQQUBXXMAHA-UHFFFAOYSA-N 2 2 205.305 1.834 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])CN1c1[nH+]c2ccccc2n1C ZINC000630559179 364259688 /nfs/dbraw/zinc/25/96/88/364259688.db2.gz PLVUYYDZVUNAEF-ZJUUUORDSA-N 2 2 230.315 1.499 10 0 BDAELP [NH3+]CC[C@@H](Nc1cccc[nH+]1)C(F)F ZINC000383216643 367606884 /nfs/dbraw/zinc/60/68/84/367606884.db2.gz ABHTVKKFAJBUBL-SSDOTTSWSA-N 2 2 201.220 1.476 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615627 /nfs/dbraw/zinc/61/56/27/367615627.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 3 2 239.407 1.386 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615632 /nfs/dbraw/zinc/61/56/32/367615632.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 3 2 239.407 1.386 10 0 BDAELP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615636 /nfs/dbraw/zinc/61/56/36/367615636.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 3 2 239.407 1.386 10 0 BDAELP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000383348031 367615641 /nfs/dbraw/zinc/61/56/41/367615641.db2.gz NIGKOKIUQSWPQB-AAVRWANBSA-N 3 2 239.407 1.386 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384608651 367706994 /nfs/dbraw/zinc/70/69/94/367706994.db2.gz OQMWVJHORRKAOV-MROQNXINSA-N 2 2 226.364 1.626 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1 ZINC000384608651 367706999 /nfs/dbraw/zinc/70/69/99/367706999.db2.gz OQMWVJHORRKAOV-MROQNXINSA-N 2 2 226.364 1.626 10 0 BDAELP OCC[N@@H+]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000108110208 369376635 /nfs/dbraw/zinc/37/66/35/369376635.db2.gz NBKKZYXMHPUORR-CQSZACIVSA-N 2 2 240.391 1.613 10 0 BDAELP OCC[N@H+]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000108110208 369376639 /nfs/dbraw/zinc/37/66/39/369376639.db2.gz NBKKZYXMHPUORR-CQSZACIVSA-N 2 2 240.391 1.613 10 0 BDAELP CC[N@@H+]1CC[C@@H](C[NH3+])[C@@H]1c1nccs1 ZINC000161679708 370960373 /nfs/dbraw/zinc/96/03/73/370960373.db2.gz XYBSUGHLHWQOEO-DTWKUNHWSA-N 2 2 211.334 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H](C[NH3+])[C@@H]1c1nccs1 ZINC000161679708 370960379 /nfs/dbraw/zinc/96/03/79/370960379.db2.gz XYBSUGHLHWQOEO-DTWKUNHWSA-N 2 2 211.334 1.485 10 0 BDAELP [NH3+]C[C@@H]1CSCC[N@@H+]1C1CCCC1 ZINC000215758051 371627035 /nfs/dbraw/zinc/62/70/35/371627035.db2.gz GZYJICFBOWLBKV-SNVBAGLBSA-N 2 2 200.351 1.305 10 0 BDAELP [NH3+]C[C@@H]1CSCC[N@H+]1C1CCCC1 ZINC000215758051 371627040 /nfs/dbraw/zinc/62/70/40/371627040.db2.gz GZYJICFBOWLBKV-SNVBAGLBSA-N 2 2 200.351 1.305 10 0 BDAELP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccc2c(c1)OCO2 ZINC000038827560 372782926 /nfs/dbraw/zinc/78/29/26/372782926.db2.gz GRRQYLNXNLVXJM-JTQLQIEISA-N 2 2 231.255 1.312 10 0 BDAELP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCOC1 ZINC000069622437 373546140 /nfs/dbraw/zinc/54/61/40/373546140.db2.gz ZLUVDVFTHWFZOT-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCOC1 ZINC000069622437 373546147 /nfs/dbraw/zinc/54/61/47/373546147.db2.gz ZLUVDVFTHWFZOT-CYBMUJFWSA-N 2 2 220.316 1.236 10 0 BDAELP C[C@H]1CC[N@H+](Cc2ccsc2)C[C@@H]1[NH3+] ZINC000069718230 373641539 /nfs/dbraw/zinc/64/15/39/373641539.db2.gz ZMXGYVVWJPVUBQ-ONGXEEELSA-N 2 2 210.346 1.917 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@@H]1[NH3+] ZINC000069718230 373641544 /nfs/dbraw/zinc/64/15/44/373641544.db2.gz ZMXGYVVWJPVUBQ-ONGXEEELSA-N 2 2 210.346 1.917 10 0 BDAELP O[C@@H](CNc1cccc[nH+]1)C[NH+]1CCCCC1 ZINC000038592722 183182628 /nfs/dbraw/zinc/18/26/28/183182628.db2.gz DWTDRXRKVNGCIC-LBPRGKRZSA-N 2 2 235.331 1.340 10 0 BDAELP O[C@H]1CCCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000054126919 183231055 /nfs/dbraw/zinc/23/10/55/183231055.db2.gz OWQXDIMTOXFOCO-STQMWFEESA-N 2 2 226.364 1.365 10 0 BDAELP O[C@H]1CCCCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575087 183231434 /nfs/dbraw/zinc/23/14/34/183231434.db2.gz MWVJBBIPPPNWED-KBPBESRZSA-N 2 2 240.391 1.756 10 0 BDAELP O[C@H]1CCCC[C@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000121203808 183232912 /nfs/dbraw/zinc/23/29/12/183232912.db2.gz JOGYKNDUOBABNJ-KGLIPLIRSA-N 2 2 249.358 1.824 10 0 BDAELP CCC[NH+]1CCC([N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000049714183 169186401 /nfs/dbraw/zinc/18/64/01/169186401.db2.gz PCCOZNZIRWIQDA-STQMWFEESA-N 3 2 239.407 1.672 10 0 BDAELP CCC[NH+]1CCC([N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000049714183 169186402 /nfs/dbraw/zinc/18/64/02/169186402.db2.gz PCCOZNZIRWIQDA-STQMWFEESA-N 3 2 239.407 1.672 10 0 BDAELP c1c(C2CC[NH2+]CC2)[nH+]c2n1CCCC2 ZINC000082931197 183321884 /nfs/dbraw/zinc/32/18/84/183321884.db2.gz DJTVLIDTMWWCHB-UHFFFAOYSA-N 2 2 205.305 1.686 10 0 BDAELP CCCN1CC[NH+](Cc2ccccc2C[NH3+])CC1 ZINC000022171445 169202651 /nfs/dbraw/zinc/20/26/51/169202651.db2.gz QIQQUTIOVMSLID-UHFFFAOYSA-N 2 2 247.386 1.673 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@@H+]1CCCOCC1 ZINC000061918073 169281946 /nfs/dbraw/zinc/28/19/46/169281946.db2.gz HABKTABWWIIDAM-CHWSQXEVSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[NH2+][C@@H]1CCC[C@H]1[N@H+]1CCCOCC1 ZINC000061918073 169281947 /nfs/dbraw/zinc/28/19/47/169281947.db2.gz HABKTABWWIIDAM-CHWSQXEVSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[C@@H]([NH3+])[C@H](CC)N(C)Cc1[nH+]ccn1C ZINC000062251017 169392803 /nfs/dbraw/zinc/39/28/03/169392803.db2.gz FJIZKNRRRIHHHJ-NEPJUHHUSA-N 2 2 238.379 1.758 10 0 BDAELP Cc1nccc(C[NH2+]CCC[N@@H+](C)C(C)C)n1 ZINC000226339238 134360720 /nfs/dbraw/zinc/36/07/20/134360720.db2.gz GBBASLLAJVHLLT-UHFFFAOYSA-N 2 2 236.363 1.605 10 0 BDAELP Cc1nccc(C[NH2+]CCC[N@H+](C)C(C)C)n1 ZINC000226339238 134360721 /nfs/dbraw/zinc/36/07/21/134360721.db2.gz GBBASLLAJVHLLT-UHFFFAOYSA-N 2 2 236.363 1.605 10 0 BDAELP C[N@@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069796445 383844004 /nfs/dbraw/zinc/84/40/04/383844004.db2.gz HFCLSNXNNDZCMZ-NEPJUHHUSA-N 2 2 206.289 1.017 10 0 BDAELP C[N@H+]1CCO[C@H](C[NH3+])[C@@H]1c1ccccc1 ZINC000069796445 383844009 /nfs/dbraw/zinc/84/40/09/383844009.db2.gz HFCLSNXNNDZCMZ-NEPJUHHUSA-N 2 2 206.289 1.017 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035677112 383865863 /nfs/dbraw/zinc/86/58/63/383865863.db2.gz DACCINGOQFWAFJ-MRVPVSSYSA-N 2 2 205.088 1.952 10 0 BDAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCOC1)C2 ZINC000309341525 383872203 /nfs/dbraw/zinc/87/22/03/383872203.db2.gz KKOWSVCSSNZOCM-VHSXEESVSA-N 2 2 221.304 1.036 10 0 BDAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000309341525 383872210 /nfs/dbraw/zinc/87/22/10/383872210.db2.gz KKOWSVCSSNZOCM-VHSXEESVSA-N 2 2 221.304 1.036 10 0 BDAELP [NH3+]CCSCc1c[nH+]c2ccccn12 ZINC000089201071 383944911 /nfs/dbraw/zinc/94/49/11/383944911.db2.gz NPIOLLVFJOEEBR-UHFFFAOYSA-N 2 2 207.302 1.526 10 0 BDAELP F[C@H]1C[NH2+]CC[C@H]1c1[nH+]ccc2[nH]ccc21 ZINC000089220689 383950295 /nfs/dbraw/zinc/95/02/95/383950295.db2.gz GPYLMZSBWKILCQ-SCZZXKLOSA-N 2 2 219.263 1.978 10 0 BDAELP CSc1nccnc1C[NH+]1CCC([NH3+])CC1 ZINC000095071911 384341996 /nfs/dbraw/zinc/34/19/96/384341996.db2.gz KKIAHIYMIFWVHE-UHFFFAOYSA-N 2 2 238.360 1.122 10 0 BDAELP c1ccc(C[NH2+]CC[NH2+]C2CCC2)cc1 ZINC000095081760 384357416 /nfs/dbraw/zinc/35/74/16/384357416.db2.gz SICGNIQRSIZMIN-UHFFFAOYSA-N 2 2 204.317 1.918 10 0 BDAELP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)nn1 ZINC000095069843 384334429 /nfs/dbraw/zinc/33/44/29/384334429.db2.gz LOYYVFWHNWBHFW-VIFPVBQESA-N 2 2 240.738 1.219 10 0 BDAELP c1cc(NC[C@@H]2CCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000212229068 384563314 /nfs/dbraw/zinc/56/33/14/384563314.db2.gz KEKDLBPEBHFREI-JTQLQIEISA-N 2 2 218.304 1.518 10 0 BDAELP Cc1cc[nH+]c(NCCC[NH3+])c1Br ZINC000235790459 384696743 /nfs/dbraw/zinc/69/67/43/384696743.db2.gz RKIGRFZVDCKQKN-UHFFFAOYSA-N 2 2 244.136 1.913 10 0 BDAELP Cn1cc([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)cn1 ZINC000163043828 384727438 /nfs/dbraw/zinc/72/74/38/384727438.db2.gz DYGJFTRQLKDTAA-GFCCVEGCSA-N 2 2 245.330 1.106 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(F)ccc1C(F)(F)F ZINC000044470156 384735131 /nfs/dbraw/zinc/73/51/31/384735131.db2.gz WGOGBOXDUDJPTM-QMMMGPOBSA-N 2 2 222.185 1.803 10 0 BDAELP Cc1ccc(N[C@@H](C)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000334848770 384746358 /nfs/dbraw/zinc/74/63/58/384746358.db2.gz KESURLCBZSTPTD-WDEREUQCSA-N 2 2 205.305 1.800 10 0 BDAELP C[C@@H](C[NH3+])CNc1cc(NC2CC2)nc[nH+]1 ZINC000258548374 384934509 /nfs/dbraw/zinc/93/45/09/384934509.db2.gz ADAHYHQMYSVYME-QMMMGPOBSA-N 2 2 221.308 1.058 10 0 BDAELP C[C@@H](C[NH3+])CNc1cc(NC2CC2)[nH+]cn1 ZINC000258548374 384934512 /nfs/dbraw/zinc/93/45/12/384934512.db2.gz ADAHYHQMYSVYME-QMMMGPOBSA-N 2 2 221.308 1.058 10 0 BDAELP O=C1CCCCC[C@H]1[N@@H+]1CCC[NH2+]CC1 ZINC000062749597 385228099 /nfs/dbraw/zinc/22/80/99/385228099.db2.gz GMCOQLRAUUZWNW-LLVKDONJSA-N 2 2 210.321 1.184 10 0 BDAELP O=C1CCCCC[C@H]1[N@H+]1CCC[NH2+]CC1 ZINC000062749597 385228103 /nfs/dbraw/zinc/22/81/03/385228103.db2.gz GMCOQLRAUUZWNW-LLVKDONJSA-N 2 2 210.321 1.184 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCCCO1 ZINC000309400470 385570731 /nfs/dbraw/zinc/57/07/31/385570731.db2.gz HHKPKFWIVDQBOD-MROQNXINSA-N 2 2 226.364 1.484 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCCCO1 ZINC000309400470 385570734 /nfs/dbraw/zinc/57/07/34/385570734.db2.gz HHKPKFWIVDQBOD-MROQNXINSA-N 2 2 226.364 1.484 10 0 BDAELP C[C@@H]1C[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336768637 385951614 /nfs/dbraw/zinc/95/16/14/385951614.db2.gz UTUXAJCUFSQCQE-SCZZXKLOSA-N 2 2 225.361 1.703 10 0 BDAELP C[N@@H+]1CCO[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000250368164 387042263 /nfs/dbraw/zinc/04/22/63/387042263.db2.gz HFCLSNXNNDZCMZ-VXGBXAGGSA-N 2 2 206.289 1.017 10 0 BDAELP C[N@H+]1CCO[C@H](C[NH3+])[C@H]1c1ccccc1 ZINC000250368164 387042267 /nfs/dbraw/zinc/04/22/67/387042267.db2.gz HFCLSNXNNDZCMZ-VXGBXAGGSA-N 2 2 206.289 1.017 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000165983024 387045197 /nfs/dbraw/zinc/04/51/97/387045197.db2.gz GFOIEJFWQJSVJS-IHRRRGAJSA-N 2 2 242.407 1.976 10 0 BDAELP COC[C@H]([NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000165983024 387045199 /nfs/dbraw/zinc/04/51/99/387045199.db2.gz GFOIEJFWQJSVJS-IHRRRGAJSA-N 2 2 242.407 1.976 10 0 BDAELP CCc1nc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cs1 ZINC000400566400 387120867 /nfs/dbraw/zinc/12/08/67/387120867.db2.gz IXDTUPRWAXDFCZ-VHSXEESVSA-N 2 2 239.388 1.793 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000120327689 387232642 /nfs/dbraw/zinc/23/26/42/387232642.db2.gz HFBQNYZXKZNCGD-BFHYXJOUSA-N 2 2 242.407 1.977 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000035677033 387438125 /nfs/dbraw/zinc/43/81/25/387438125.db2.gz NQXWVAAAXWPKDX-SSDOTTSWSA-N 2 2 220.194 1.544 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CCC([NH3+])CC1 ZINC000336563365 387388920 /nfs/dbraw/zinc/38/89/20/387388920.db2.gz YMSHAXZHWRUSCU-UHFFFAOYSA-N 2 2 222.336 1.387 10 0 BDAELP CC[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000151016311 387792193 /nfs/dbraw/zinc/79/21/93/387792193.db2.gz SXRMZESPJNFIHC-ONGXEEELSA-N 2 2 207.321 1.894 10 0 BDAELP COc1ccc[nH+]c1N[C@H](C)C[C@H](C)[NH3+] ZINC000165735984 388252626 /nfs/dbraw/zinc/25/26/26/388252626.db2.gz ZCPHAMKWGGDQKB-DTWKUNHWSA-N 2 2 209.293 1.628 10 0 BDAELP Cc1[nH+]c(C(C)C)nc(N2CC[NH2+]CC2)c1C ZINC000045950741 132299337 /nfs/dbraw/zinc/29/93/37/132299337.db2.gz WRBFEXXKYRUUSN-UHFFFAOYSA-N 2 2 234.347 1.626 10 0 BDAELP CCCc1cc(N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000045950738 132299414 /nfs/dbraw/zinc/29/94/14/132299414.db2.gz OHYRATIZRQKPAL-UHFFFAOYSA-N 2 2 248.374 1.962 10 0 BDAELP C[NH+]1CCN(c2cccc3[nH+]c[nH]c32)CC1 ZINC000026391197 132333528 /nfs/dbraw/zinc/33/35/28/132333528.db2.gz VNORITPQZHTCHX-UHFFFAOYSA-N 2 2 216.288 1.315 10 0 BDAELP [NH3+][C@H]1CCC[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000040431798 132347568 /nfs/dbraw/zinc/34/75/68/132347568.db2.gz WYYOYWWJTSGFQN-LSDHHAIUSA-N 2 2 245.370 1.688 10 0 BDAELP C[C@@H]1CC[C@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1 ZINC000336033821 134058989 /nfs/dbraw/zinc/05/89/89/134058989.db2.gz MRRLCRTTZPOTEW-OLZOCXBDSA-N 2 2 248.374 1.731 10 0 BDAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000251509901 135070590 /nfs/dbraw/zinc/07/05/90/135070590.db2.gz FJQPESCPEZXXIT-MCIONIFRSA-N 2 2 239.407 1.401 10 0 BDAELP CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000251509901 135070593 /nfs/dbraw/zinc/07/05/93/135070593.db2.gz FJQPESCPEZXXIT-MCIONIFRSA-N 2 2 239.407 1.401 10 0 BDAELP C[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000252592310 135092437 /nfs/dbraw/zinc/09/24/37/135092437.db2.gz NZZATVLAKGMNPK-WOPDTQHZSA-N 2 2 249.314 1.082 10 0 BDAELP C[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000252592310 135092439 /nfs/dbraw/zinc/09/24/39/135092439.db2.gz NZZATVLAKGMNPK-WOPDTQHZSA-N 2 2 249.314 1.082 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000252688979 135096868 /nfs/dbraw/zinc/09/68/68/135096868.db2.gz PVVIKSGTNLOUMM-WOPDTQHZSA-N 2 2 212.337 1.238 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000252688979 135096870 /nfs/dbraw/zinc/09/68/70/135096870.db2.gz PVVIKSGTNLOUMM-WOPDTQHZSA-N 2 2 212.337 1.238 10 0 BDAELP CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000252729722 135103906 /nfs/dbraw/zinc/10/39/06/135103906.db2.gz HZOVGOKQYSCHJE-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000252729722 135103909 /nfs/dbraw/zinc/10/39/09/135103909.db2.gz HZOVGOKQYSCHJE-RWMBFGLXSA-N 2 2 226.364 1.628 10 0 BDAELP CC1(C)C[N@H+](Cc2cncc(F)c2)CC[C@H]1[NH3+] ZINC000261552988 135191643 /nfs/dbraw/zinc/19/16/43/135191643.db2.gz NOMBHLBXGKUXJR-GFCCVEGCSA-N 2 2 237.322 1.780 10 0 BDAELP CC1(C)C[N@@H+](Cc2cncc(F)c2)CC[C@H]1[NH3+] ZINC000261552988 135191644 /nfs/dbraw/zinc/19/16/44/135191644.db2.gz NOMBHLBXGKUXJR-GFCCVEGCSA-N 2 2 237.322 1.780 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000262948745 135324972 /nfs/dbraw/zinc/32/49/72/135324972.db2.gz JIRFDMZEZFKWNY-QWRGUYRKSA-N 2 2 240.372 1.595 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000262948745 135324973 /nfs/dbraw/zinc/32/49/73/135324973.db2.gz JIRFDMZEZFKWNY-QWRGUYRKSA-N 2 2 240.372 1.595 10 0 BDAELP CC(C)C[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128922057 398098117 /nfs/dbraw/zinc/09/81/17/398098117.db2.gz YKSBFQYETXTMBS-UONOGXRCSA-N 3 2 241.423 1.694 10 0 BDAELP CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000038042536 167168943 /nfs/dbraw/zinc/16/89/43/167168943.db2.gz XTVFMBZWXWQXAU-LBPRGKRZSA-N 2 2 240.347 1.154 10 0 BDAELP CC(C)OC(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000038042536 167168948 /nfs/dbraw/zinc/16/89/48/167168948.db2.gz XTVFMBZWXWQXAU-LBPRGKRZSA-N 2 2 240.347 1.154 10 0 BDAELP C[NH2+]C[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000663280778 410096012 /nfs/dbraw/zinc/09/60/12/410096012.db2.gz MIXUUCGBEQDWQW-MRVPVSSYSA-N 2 2 204.277 1.583 10 0 BDAELP Cc1nc(N2CCC[C@H](C)[C@H]2C[NH3+])cc[nH+]1 ZINC000227201751 487613785 /nfs/dbraw/zinc/61/37/85/487613785.db2.gz NQLMTYCOHHHFHY-GXSJLCMTSA-N 2 2 220.320 1.349 10 0 BDAELP CCOC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000395474553 410855489 /nfs/dbraw/zinc/85/54/89/410855489.db2.gz JJSKRQMFNYXTDM-STQMWFEESA-N 2 2 228.380 1.731 10 0 BDAELP CCOC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000395474553 410855494 /nfs/dbraw/zinc/85/54/94/410855494.db2.gz JJSKRQMFNYXTDM-STQMWFEESA-N 2 2 228.380 1.731 10 0 BDAELP CC(C)[C@@H](C[NH2+]C[C@@H]1CCCCN1C)[NH+](C)C ZINC000054240291 167398619 /nfs/dbraw/zinc/39/86/19/167398619.db2.gz KCZFIPFRVMPFHJ-UONOGXRCSA-N 2 2 241.423 1.647 10 0 BDAELP CCC[C@@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000309515107 410956429 /nfs/dbraw/zinc/95/64/29/410956429.db2.gz YLAUFDHSQWEDKO-SFYZADRCSA-N 2 2 210.281 1.294 10 0 BDAELP CC(C)Oc1ncccc1C[NH2+]C1CC[NH2+]CC1 ZINC000042391592 410999356 /nfs/dbraw/zinc/99/93/56/410999356.db2.gz QGRFLCMSFMVIGP-UHFFFAOYSA-N 2 2 249.358 1.710 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658033982 411209433 /nfs/dbraw/zinc/20/94/33/411209433.db2.gz FMJQUHCPUTZBFS-NEPJUHHUSA-N 2 2 224.348 1.382 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658033982 411209435 /nfs/dbraw/zinc/20/94/35/411209435.db2.gz FMJQUHCPUTZBFS-NEPJUHHUSA-N 2 2 224.348 1.382 10 0 BDAELP CC(C)(C)[N@@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616658935 411240173 /nfs/dbraw/zinc/24/01/73/411240173.db2.gz ABAKGDSWIIFVKR-LBPRGKRZSA-N 2 2 249.358 1.878 10 0 BDAELP CC(C)(C)[N@H+]1CCOC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616658935 411240174 /nfs/dbraw/zinc/24/01/74/411240174.db2.gz ABAKGDSWIIFVKR-LBPRGKRZSA-N 2 2 249.358 1.878 10 0 BDAELP C[N@@H+]1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616687267 411414862 /nfs/dbraw/zinc/41/48/62/411414862.db2.gz RESOIYJVMKUMKK-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCO[C@H](c2ccc[nH+]c2N)CC1 ZINC000616687267 411414865 /nfs/dbraw/zinc/41/48/65/411414865.db2.gz RESOIYJVMKUMKK-JTQLQIEISA-N 2 2 207.277 1.057 10 0 BDAELP OC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 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FSCPLAQIWOMCEO-YNEHKIRRSA-N 2 2 226.364 1.485 10 0 BDAELP CC[NH2+]C[C@@H](C)[N@@H+]1CCCSCC1 ZINC000052370977 170118769 /nfs/dbraw/zinc/11/87/69/170118769.db2.gz WRQAJDRTZUPILZ-SNVBAGLBSA-N 2 2 202.367 1.423 10 0 BDAELP CC[NH2+]C[C@@H](C)[N@H+]1CCCSCC1 ZINC000052370977 170118771 /nfs/dbraw/zinc/11/87/71/170118771.db2.gz WRQAJDRTZUPILZ-SNVBAGLBSA-N 2 2 202.367 1.423 10 0 BDAELP CC[NH2+]C[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000054937590 170122591 /nfs/dbraw/zinc/12/25/91/170122591.db2.gz RTKBLHXWULESEA-LLVKDONJSA-N 2 2 220.320 1.363 10 0 BDAELP CC[NH2+]Cc1ccnc(-n2c[nH+]c(C)c2C)c1 ZINC000051928462 170129203 /nfs/dbraw/zinc/12/92/03/170129203.db2.gz UDHFZSAIPXUDPY-UHFFFAOYSA-N 2 2 230.315 1.994 10 0 BDAELP CC[NH2+]Cc1coc(C[N@@H+]2CCOC[C@@H]2C)c1 ZINC000052475976 170130139 /nfs/dbraw/zinc/13/01/39/170130139.db2.gz CLAWOVXSBVTCPT-NSHDSACASA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1coc(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000052475976 170130140 /nfs/dbraw/zinc/13/01/40/170130140.db2.gz CLAWOVXSBVTCPT-NSHDSACASA-N 2 2 238.331 1.610 10 0 BDAELP CC[NH2+]Cc1sc(C[NH+](C)C)nc1C ZINC000052330373 170132589 /nfs/dbraw/zinc/13/25/89/170132589.db2.gz JYVYSAUKCWVUEL-UHFFFAOYSA-N 2 2 213.350 1.623 10 0 BDAELP CC[NH2+][C@@H](C)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000061917902 170140299 /nfs/dbraw/zinc/14/02/99/170140299.db2.gz PXUDGYZWDVEPJE-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@@H](C)[C@@H](C)[N@H+]1CCCOCC1 ZINC000061917902 170140301 /nfs/dbraw/zinc/14/03/01/170140301.db2.gz PXUDGYZWDVEPJE-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP CC[NH2+][C@@H]1CCOC[C@@H]1[NH+]1CCCCC1 ZINC000043814388 170152543 /nfs/dbraw/zinc/15/25/43/170152543.db2.gz STOSOBZYMKTUAN-NEPJUHHUSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@@](C)(Cn1c[nH+]c(C)c1C)C(=O)OC ZINC000051928183 170154956 /nfs/dbraw/zinc/15/49/56/170154956.db2.gz WURZOZFOZGHKFY-LBPRGKRZSA-N 2 2 239.319 1.041 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@H]1[N@@H+]1CCCOCC1 ZINC000061917862 170165653 /nfs/dbraw/zinc/16/56/53/170165653.db2.gz LLTFYPKGVYQEAF-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@H]1[N@H+]1CCCOCC1 ZINC000061917862 170165654 /nfs/dbraw/zinc/16/56/54/170165654.db2.gz LLTFYPKGVYQEAF-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000053861138 170166991 /nfs/dbraw/zinc/16/69/91/170166991.db2.gz URSUVANIEPIYLJ-NEPJUHHUSA-N 2 2 212.337 1.097 10 0 BDAELP CC[C@@H]1C[N@H+](CC[NH2+]C(C)C)CCS1 ZINC000133031187 171081633 /nfs/dbraw/zinc/08/16/33/171081633.db2.gz XZWVHPNFVREOMR-LLVKDONJSA-N 2 2 216.394 1.812 10 0 BDAELP CC[C@@H]1C[N@@H+](CC[NH2+]C(C)C)CCS1 ZINC000133031187 171081635 /nfs/dbraw/zinc/08/16/35/171081635.db2.gz XZWVHPNFVREOMR-LLVKDONJSA-N 2 2 216.394 1.812 10 0 BDAELP CC[C@@H]1C[N@H+](C[C@H]([NH3+])C(C)(C)C)CCO1 ZINC000036769714 171086316 /nfs/dbraw/zinc/08/63/16/171086316.db2.gz AACKDNQFPWGWQS-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1C[N@@H+](C[C@H]([NH3+])C(C)(C)C)CCO1 ZINC000036769714 171086318 /nfs/dbraw/zinc/08/63/18/171086318.db2.gz AACKDNQFPWGWQS-MNOVXSKESA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@@H]1C[NH2+]CCN1c1[nH]c2ccccc2[nH+]1 ZINC000083357566 171101527 /nfs/dbraw/zinc/10/15/27/171101527.db2.gz UHRGMMXISGNUKG-SNVBAGLBSA-N 2 2 230.315 1.751 10 0 BDAELP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccccn1 ZINC000076584308 171313670 /nfs/dbraw/zinc/31/36/70/171313670.db2.gz JRFYTBABMDDXKM-NSHDSACASA-N 2 2 207.321 1.641 10 0 BDAELP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccn1 ZINC000076584308 171313672 /nfs/dbraw/zinc/31/36/72/171313672.db2.gz JRFYTBABMDDXKM-NSHDSACASA-N 2 2 207.321 1.641 10 0 BDAELP CC[C@H](C)[C@@H]([NH3+])CN1CCn2cc[nH+]c2C1 ZINC000062321426 171372362 /nfs/dbraw/zinc/37/23/62/171372362.db2.gz DVNRFSHAIHBJPH-QWRGUYRKSA-N 2 2 222.336 1.072 10 0 BDAELP C[N@@H+]1CCC[C@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000044538727 173041024 /nfs/dbraw/zinc/04/10/24/173041024.db2.gz JRXOSPUZOPCVAM-ZDUSSCGKSA-N 3 2 225.380 1.014 10 0 BDAELP C[N@H+]1CCC[C@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000044538727 173041026 /nfs/dbraw/zinc/04/10/26/173041026.db2.gz JRXOSPUZOPCVAM-ZDUSSCGKSA-N 3 2 225.380 1.014 10 0 BDAELP C[NH2+]C1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000044537335 173323102 /nfs/dbraw/zinc/32/31/02/173323102.db2.gz YHBLXXQVNRXMFF-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]C1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000044537335 173323104 /nfs/dbraw/zinc/32/31/04/173323104.db2.gz YHBLXXQVNRXMFF-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]CC(C)(C)C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000051252602 173337119 /nfs/dbraw/zinc/33/71/19/173337119.db2.gz UCRLQBNUNFCMJK-NWDGAFQWSA-N 2 2 226.364 1.485 10 0 BDAELP C[NH2+]CC(C)(C)C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000051252602 173337121 /nfs/dbraw/zinc/33/71/21/173337121.db2.gz UCRLQBNUNFCMJK-NWDGAFQWSA-N 2 2 226.364 1.485 10 0 BDAELP C[NH2+]CCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000043600256 173341947 /nfs/dbraw/zinc/34/19/47/173341947.db2.gz QGLJCMHIRBVJHM-UHFFFAOYSA-N 2 2 244.298 1.420 10 0 BDAELP C[NH2+]CCC[NH2+]Cc1c(OC)cccc1OC ZINC000083366298 173348578 /nfs/dbraw/zinc/34/85/78/173348578.db2.gz SNBXHCSTHVNJGP-UHFFFAOYSA-N 2 2 238.331 1.403 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc2c(c1)CCCO2 ZINC000077424835 173353128 /nfs/dbraw/zinc/35/31/28/173353128.db2.gz JKABALXTWPUJRR-UHFFFAOYSA-N 2 2 248.370 1.705 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc2c(c1)CCCO2 ZINC000077424835 173353129 /nfs/dbraw/zinc/35/31/29/173353129.db2.gz JKABALXTWPUJRR-UHFFFAOYSA-N 2 2 248.370 1.705 10 0 BDAELP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000063169272 173378200 /nfs/dbraw/zinc/37/82/00/173378200.db2.gz IVQLGAOJSDWAMT-CABCVRRESA-N 2 2 248.370 1.794 10 0 BDAELP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccccc1 ZINC000063169272 173378203 /nfs/dbraw/zinc/37/82/03/173378203.db2.gz IVQLGAOJSDWAMT-CABCVRRESA-N 2 2 248.370 1.794 10 0 BDAELP COCC[N@H+](C)[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042972450 174283935 /nfs/dbraw/zinc/28/39/35/174283935.db2.gz BLKDEKBGZNRTBB-GWCFXTLKSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042972450 174283937 /nfs/dbraw/zinc/28/39/37/174283937.db2.gz BLKDEKBGZNRTBB-GWCFXTLKSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032014358 174292447 /nfs/dbraw/zinc/29/24/47/174292447.db2.gz CJXWPROVXVOQIH-UHFFFAOYSA-N 2 2 222.332 1.402 10 0 BDAELP COCC[N@@H+](CC[NH3+])Cc1cccc(C)c1 ZINC000032014358 174292449 /nfs/dbraw/zinc/29/24/49/174292449.db2.gz CJXWPROVXVOQIH-UHFFFAOYSA-N 2 2 222.332 1.402 10 0 BDAELP COCC[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C)cc1 ZINC000052810619 174391446 /nfs/dbraw/zinc/39/14/46/174391446.db2.gz ZYVRPBQUAWFNAH-CQSZACIVSA-N 2 2 236.359 1.791 10 0 BDAELP COCC[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C)cc1 ZINC000052810619 174391447 /nfs/dbraw/zinc/39/14/47/174391447.db2.gz ZYVRPBQUAWFNAH-CQSZACIVSA-N 2 2 236.359 1.791 10 0 BDAELP COc1cc2[nH]c(CC[NH3+])[nH+]c2cc1OC ZINC000011567881 175028313 /nfs/dbraw/zinc/02/83/13/175028313.db2.gz VVEFQSPJSMJVCB-UHFFFAOYSA-N 2 2 221.260 1.081 10 0 BDAELP COc1ccc(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049660998 175100646 /nfs/dbraw/zinc/10/06/46/175100646.db2.gz PFBNDDPLVISIJS-GFCCVEGCSA-N 2 2 234.343 1.737 10 0 BDAELP COc1ccc(C[N@H+]2CC[NH2+]C[C@@H](C)C2)cc1 ZINC000049660998 175100647 /nfs/dbraw/zinc/10/06/47/175100647.db2.gz PFBNDDPLVISIJS-GFCCVEGCSA-N 2 2 234.343 1.737 10 0 BDAELP COc1ccc(F)c([C@H]([NH3+])C[NH3+])c1Cl ZINC000044473178 175126325 /nfs/dbraw/zinc/12/63/25/175126325.db2.gz FYWWLTOIAYPNKA-ZCFIWIBFSA-N 2 2 218.659 1.446 10 0 BDAELP COc1ccc([C@H]([NH3+])Cn2cc[nH+]c2)c(OC)c1 ZINC000023071172 175191994 /nfs/dbraw/zinc/19/19/94/175191994.db2.gz APRCIMVMFQBQIP-GFCCVEGCSA-N 2 2 247.298 1.600 10 0 BDAELP COc1ccc([C@H]([C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000042960474 175193887 /nfs/dbraw/zinc/19/38/87/175193887.db2.gz LDYNNRVMIGQPSS-SKDRFNHKSA-N 2 2 208.305 1.645 10 0 BDAELP COc1cccc(C[NH2+]CCc2c[nH]c[nH+]2)n1 ZINC000083358786 175264797 /nfs/dbraw/zinc/26/47/97/175264797.db2.gz OTSJUYRXGYNAJC-UHFFFAOYSA-N 2 2 232.287 1.146 10 0 BDAELP COc1cccc(C[NH2+]CCc2c[nH+]c[nH]2)n1 ZINC000083358786 175264799 /nfs/dbraw/zinc/26/47/99/175264799.db2.gz OTSJUYRXGYNAJC-UHFFFAOYSA-N 2 2 232.287 1.146 10 0 BDAELP C[C@@H]1CC[NH+](C2CC[NH+](C)CC2)CC[C@@H](C)[NH2+]1 ZINC000049665938 176167056 /nfs/dbraw/zinc/16/70/56/176167056.db2.gz WBBUZQMNIMVBKX-CHWSQXEVSA-N 3 2 239.407 1.543 10 0 BDAELP C[C@@H]1CC[N@H+](CCOC2CCCC2)CC[NH2+]1 ZINC000082627838 176169443 /nfs/dbraw/zinc/16/94/43/176169443.db2.gz FWCPXKOXKSKKBH-GFCCVEGCSA-N 2 2 226.364 1.629 10 0 BDAELP C[C@@H]1CC[N@@H+](CCOC2CCCC2)CC[NH2+]1 ZINC000082627838 176169445 /nfs/dbraw/zinc/16/94/45/176169445.db2.gz FWCPXKOXKSKKBH-GFCCVEGCSA-N 2 2 226.364 1.629 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2cccnc2)CC[NH2+]1 ZINC000049662138 176176260 /nfs/dbraw/zinc/17/62/60/176176260.db2.gz KHUQXEKNTLWPOR-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2cccnc2)CC[NH2+]1 ZINC000049662138 176176261 /nfs/dbraw/zinc/17/62/61/176176261.db2.gz KHUQXEKNTLWPOR-LLVKDONJSA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1CC[N@@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000043353931 176180056 /nfs/dbraw/zinc/18/00/56/176180056.db2.gz CRFHSTVMUAYGTJ-PWSUYJOCSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@@H]1CC[N@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000043353931 176180057 /nfs/dbraw/zinc/18/00/57/176180057.db2.gz CRFHSTVMUAYGTJ-PWSUYJOCSA-N 2 2 205.305 1.423 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000336778980 176273623 /nfs/dbraw/zinc/27/36/23/176273623.db2.gz MWZXCTLPIRUPOF-FVCCEPFGSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000336778980 176273624 /nfs/dbraw/zinc/27/36/24/176273624.db2.gz MWZXCTLPIRUPOF-FVCCEPFGSA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[NH+](CC[C@H]2CCCC[NH2+]2)C[C@@H](C)O1 ZINC000026515223 176294345 /nfs/dbraw/zinc/29/43/45/176294345.db2.gz KQGUQLJEJBDBSF-JHJVBQTASA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000050272042 176315963 /nfs/dbraw/zinc/31/59/63/176315963.db2.gz XSXLRMJXKOXROE-PWSUYJOCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H](C[NH3+])C2CCCC2)CCO1 ZINC000050272042 176315965 /nfs/dbraw/zinc/31/59/65/176315965.db2.gz XSXLRMJXKOXROE-PWSUYJOCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@](C)(C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664365 176317014 /nfs/dbraw/zinc/31/70/14/176317014.db2.gz FQSULXKBWHKRCU-MFKMUULPSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@@H]1C[N@H+]([C@@](C)(C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664365 176317016 /nfs/dbraw/zinc/31/70/16/176317016.db2.gz FQSULXKBWHKRCU-MFKMUULPSA-N 2 2 226.364 1.613 10 0 BDAELP C[C@@H]1CN(c2[nH]c3ccccc3[nH+]2)C[C@@]1(C)C[NH3+] ZINC000311178246 176320937 /nfs/dbraw/zinc/32/09/37/176320937.db2.gz XEFKTTBZIOBVHN-QMTHXVAHSA-N 2 2 244.342 1.984 10 0 BDAELP C[C@@H]1COCC[N@@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000035776368 176336931 /nfs/dbraw/zinc/33/69/31/176336931.db2.gz HSEMNUZKBBPTFB-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@@H]1COCC[N@H+]1Cc1cccc(C(N)=[NH2+])c1 ZINC000035776368 176336932 /nfs/dbraw/zinc/33/69/32/176336932.db2.gz HSEMNUZKBBPTFB-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@@H]1COCC[N@@H+]1[C@@H](C[NH3+])C1CCCC1 ZINC000050272170 176337860 /nfs/dbraw/zinc/33/78/60/176337860.db2.gz HKGRVQUVJLMQPD-PWSUYJOCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@@H]1COCC[N@H+]1[C@@H](C[NH3+])C1CCCC1 ZINC000050272170 176337861 /nfs/dbraw/zinc/33/78/61/176337861.db2.gz HKGRVQUVJLMQPD-PWSUYJOCSA-N 2 2 212.337 1.225 10 0 BDAELP C[C@H](c1cccc(O)c1)[N@H+]1CCC[NH2+]CC1 ZINC000038086987 177037219 /nfs/dbraw/zinc/03/72/19/177037219.db2.gz AYTZYZCATKSTTR-LLVKDONJSA-N 2 2 220.316 1.749 10 0 BDAELP C[C@H](c1cccc(O)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000038086987 177037218 /nfs/dbraw/zinc/03/72/18/177037218.db2.gz AYTZYZCATKSTTR-LLVKDONJSA-N 2 2 220.316 1.749 10 0 BDAELP C[C@H]1CCCC[C@@]1(C[NH3+])[NH+]1CCOCC1 ZINC000019517423 177084835 /nfs/dbraw/zinc/08/48/35/177084835.db2.gz LYKFITVJWCMUFF-RYUDHWBXSA-N 2 2 212.337 1.226 10 0 BDAELP C[C@H]1CCC[C@@](CO)([NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000054765354 177127682 /nfs/dbraw/zinc/12/76/82/177127682.db2.gz DRBFMKLTIBNZQG-CMPLNLGQSA-N 2 2 223.320 1.441 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccncc1 ZINC000071509840 177174261 /nfs/dbraw/zinc/17/42/61/177174261.db2.gz BOFMBQYWHFLMCD-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccncc1 ZINC000071509840 177174263 /nfs/dbraw/zinc/17/42/63/177174263.db2.gz BOFMBQYWHFLMCD-NSHDSACASA-N 2 2 205.305 1.265 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000052380411 177261644 /nfs/dbraw/zinc/26/16/44/177261644.db2.gz CDJFNFCGTQKLHG-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000052380411 177261646 /nfs/dbraw/zinc/26/16/46/177261646.db2.gz CDJFNFCGTQKLHG-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2occc2C[NH3+])C[C@H](C)O1 ZINC000052380423 177272178 /nfs/dbraw/zinc/27/21/78/177272178.db2.gz OEVKWIDXDPUXNO-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@H+](Cc2occc2C[NH3+])C[C@H](C)O1 ZINC000052380423 177272179 /nfs/dbraw/zinc/27/21/79/177272179.db2.gz OEVKWIDXDPUXNO-AOOOYVTPSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]1C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCN21 ZINC000096984034 177286115 /nfs/dbraw/zinc/28/61/15/177286115.db2.gz SEYGKUIPYQGYRN-DZGCQCFKSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@H]1C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCN21 ZINC000096984034 177286116 /nfs/dbraw/zinc/28/61/16/177286116.db2.gz SEYGKUIPYQGYRN-DZGCQCFKSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@H]1COCC[N@@H+]1Cc1ccc(C[NH3+])cc1F ZINC000035774131 177292448 /nfs/dbraw/zinc/29/24/48/177292448.db2.gz PHFVGAIKUDIIKA-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1COCC[N@H+]1Cc1ccc(C[NH3+])cc1F ZINC000035774131 177292450 /nfs/dbraw/zinc/29/24/50/177292450.db2.gz PHFVGAIKUDIIKA-JTQLQIEISA-N 2 2 238.306 1.505 10 0 BDAELP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@@H+]1C1CC1 ZINC000309732797 177368664 /nfs/dbraw/zinc/36/86/64/177368664.db2.gz BOISKBSEOCCNNE-IUCAKERBSA-N 2 2 230.302 1.999 10 0 BDAELP C[C@H]1C[C@H]([NH2+]C2CC(F)(F)C2)C[N@H+]1C1CC1 ZINC000309732797 177368666 /nfs/dbraw/zinc/36/86/66/177368666.db2.gz BOISKBSEOCCNNE-IUCAKERBSA-N 2 2 230.302 1.999 10 0 BDAELP CC(C)n1cc[nH+]c1CN(C)[C@@H]1CC[NH2+]C1 ZINC000570931672 323074727 /nfs/dbraw/zinc/07/47/27/323074727.db2.gz ZLUCGUOKWYNTMD-LLVKDONJSA-N 2 2 222.336 1.258 10 0 BDAELP CCc1nn(C)cc1C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000168859579 487547969 /nfs/dbraw/zinc/54/79/69/487547969.db2.gz ZPHYTFKLDCVTKX-LBPRGKRZSA-N 2 2 236.363 1.296 10 0 BDAELP CCc1nn(C)cc1C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000168859579 487547977 /nfs/dbraw/zinc/54/79/77/487547977.db2.gz ZPHYTFKLDCVTKX-LBPRGKRZSA-N 2 2 236.363 1.296 10 0 BDAELP c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]c1 ZINC000008602430 487504617 /nfs/dbraw/zinc/50/46/17/487504617.db2.gz LGAFOJWLXLMHLW-ZDUSSCGKSA-N 2 2 217.316 1.662 10 0 BDAELP CC[N@@H+]1CCO[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300233213 490552619 /nfs/dbraw/zinc/55/26/19/490552619.db2.gz PFIIXOHVFIYNQU-NEPJUHHUSA-N 2 2 244.404 1.050 10 0 BDAELP CC[N@H+]1CCO[C@@H](C[NH2+]C[C@H]2CCSC2)C1 ZINC000300233213 490552623 /nfs/dbraw/zinc/55/26/23/490552623.db2.gz PFIIXOHVFIYNQU-NEPJUHHUSA-N 2 2 244.404 1.050 10 0 BDAELP CCO[C@H]1CCCN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051398219 535620943 /nfs/dbraw/zinc/62/09/43/535620943.db2.gz USWVVJYSBAQUFL-ZDUSSCGKSA-N 2 2 235.331 1.546 10 0 BDAELP CC(C)C[N@@H+]1CC[C@@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000252475079 519731000 /nfs/dbraw/zinc/73/10/00/519731000.db2.gz SGCVQVOPDPQJCO-ZIAGYGMSSA-N 2 2 240.391 1.685 10 0 BDAELP CC(C)C[N@H+]1CC[C@@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000252475079 519731001 /nfs/dbraw/zinc/73/10/01/519731001.db2.gz SGCVQVOPDPQJCO-ZIAGYGMSSA-N 2 2 240.391 1.685 10 0 BDAELP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400362132 528828728 /nfs/dbraw/zinc/82/87/28/528828728.db2.gz CJOXXCGROIAQQB-AGIUHOORSA-N 3 2 227.396 1.303 10 0 BDAELP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400362132 528828734 /nfs/dbraw/zinc/82/87/34/528828734.db2.gz CJOXXCGROIAQQB-AGIUHOORSA-N 3 2 227.396 1.303 10 0 BDAELP CC(C)[NH+](CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(C)C ZINC000400423059 528906570 /nfs/dbraw/zinc/90/65/70/528906570.db2.gz XRTQPLKRUBHLIU-KBPBESRZSA-N 3 2 241.423 1.693 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249242999 535260416 /nfs/dbraw/zinc/26/04/16/535260416.db2.gz DIANSCLMPCDHTI-YIYPIFLZSA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1 ZINC000249242999 535260423 /nfs/dbraw/zinc/26/04/23/535260423.db2.gz DIANSCLMPCDHTI-YIYPIFLZSA-N 2 2 240.391 1.730 10 0 BDAELP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]1C[NH3+] ZINC000757146367 582529787 /nfs/dbraw/zinc/52/97/87/582529787.db2.gz NIFITUALVBMXDL-BDAKNGLRSA-N 2 2 206.280 1.701 10 0 BDAELP CC[C@H](CC(F)F)C[N@H+]1CC[C@H]1C[NH3+] ZINC000757146367 582529788 /nfs/dbraw/zinc/52/97/88/582529788.db2.gz NIFITUALVBMXDL-BDAKNGLRSA-N 2 2 206.280 1.701 10 0 BDAELP CC(=O)c1ccc([C@@H]2C[C@H](C)[C@@H]([NH3+])C[NH2+]2)cc1 ZINC000757218519 582562487 /nfs/dbraw/zinc/56/24/87/582562487.db2.gz VNKGTEPDYZJKMY-HERUPUMHSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccco1 ZINC000399202638 583171553 /nfs/dbraw/zinc/17/15/53/583171553.db2.gz UNNAOBLIZIZCLX-LLVKDONJSA-N 2 2 238.331 1.387 10 0 BDAELP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675053867 583929030 /nfs/dbraw/zinc/92/90/30/583929030.db2.gz OWCMWESDBBMSJW-GXTWGEPZSA-N 3 2 239.407 1.530 10 0 BDAELP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C[NH3+])C1 ZINC000675053867 583929031 /nfs/dbraw/zinc/92/90/31/583929031.db2.gz OWCMWESDBBMSJW-GXTWGEPZSA-N 3 2 239.407 1.530 10 0 BDAELP C[C@H](F)C[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129012 586425900 /nfs/dbraw/zinc/42/59/00/586425900.db2.gz KQDDLNSMCGTOFI-AAEUAGOBSA-N 2 2 226.339 1.905 10 0 BDAELP C[C@H](F)C[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129012 586425901 /nfs/dbraw/zinc/42/59/01/586425901.db2.gz KQDDLNSMCGTOFI-AAEUAGOBSA-N 2 2 226.339 1.905 10 0 BDAELP C[C@@H]1C[C@@H](c2cccc(C=O)c2)[NH2+]C[C@H]1[NH3+] ZINC000757217214 586441134 /nfs/dbraw/zinc/44/11/34/586441134.db2.gz RIFOAGZGZQTXEI-WQAKAFBOSA-N 2 2 218.300 1.497 10 0 BDAELP C[C@@H]1C[NH2+][C@H](c2cccc(C=O)c2)[C@H]([NH3+])C1 ZINC000757217557 586441484 /nfs/dbraw/zinc/44/14/84/586441484.db2.gz SEHYQMFNGRZMKW-ZWKOPEQDSA-N 2 2 218.300 1.497 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cccc(C[NH3+])c2)[C@H]1[NH3+] ZINC000757220251 586442078 /nfs/dbraw/zinc/44/20/78/586442078.db2.gz XPNMWCXEYJNJLV-JIMOISOXSA-N 3 2 219.332 1.143 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000309918896 633936485 /nfs/dbraw/zinc/93/64/85/633936485.db2.gz QWKZUGXYGBNCKJ-IDWGSYCQSA-N 2 2 232.318 1.960 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000309918896 633936490 /nfs/dbraw/zinc/93/64/90/633936490.db2.gz QWKZUGXYGBNCKJ-IDWGSYCQSA-N 2 2 232.318 1.960 10 0 BDAELP Cc1ccc(OC[C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094088069 635182326 /nfs/dbraw/zinc/18/23/26/635182326.db2.gz BPIBZXNEOVSQDG-CHWSQXEVSA-N 2 2 234.343 1.714 10 0 BDAELP C(C[NH2+]C1CC1)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043427159 638318156 /nfs/dbraw/zinc/31/81/56/638318156.db2.gz HQPUSMQUEZYYLJ-KGLIPLIRSA-N 2 2 238.375 1.772 10 0 BDAELP C(C[NH2+]C1CC1)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000043427159 638318159 /nfs/dbraw/zinc/31/81/59/638318159.db2.gz HQPUSMQUEZYYLJ-KGLIPLIRSA-N 2 2 238.375 1.772 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(SC)C2)C1 ZINC000706898886 712159342 /nfs/dbraw/zinc/15/93/42/712159342.db2.gz QUTPLBJFBFPEDM-UNXYVOJBSA-N 2 2 228.405 1.954 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(SC)C2)C1 ZINC000706898886 712159345 /nfs/dbraw/zinc/15/93/45/712159345.db2.gz QUTPLBJFBFPEDM-UNXYVOJBSA-N 2 2 228.405 1.954 10 0 BDAELP [NH3+]CC(F)(F)Cn1cc[nH+]c1C1CC1 ZINC000685956611 538902692 /nfs/dbraw/zinc/90/26/92/538902692.db2.gz GYRJQQQXVXYLHI-UHFFFAOYSA-N 2 2 201.220 1.355 10 0 BDAELP CCC(CC)(C[NH3+])CN(C)Cc1[nH+]ccn1C ZINC000062322959 168322307 /nfs/dbraw/zinc/32/23/07/168322307.db2.gz RARJNTUMXUYKIW-UHFFFAOYSA-N 2 2 238.379 1.617 10 0 BDAELP CCC(CC)(C[NH3+])C[N@H+](C)Cc1nccn1C ZINC000062322959 168322310 /nfs/dbraw/zinc/32/23/10/168322310.db2.gz RARJNTUMXUYKIW-UHFFFAOYSA-N 2 2 238.379 1.617 10 0 BDAELP CCC(CC)(C[NH3+])C[N@@H+](C)Cc1nccn1C ZINC000062322959 168322312 /nfs/dbraw/zinc/32/23/12/168322312.db2.gz RARJNTUMXUYKIW-UHFFFAOYSA-N 2 2 238.379 1.617 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1CCO[C@H](C)C1 ZINC000019519311 168323466 /nfs/dbraw/zinc/32/34/66/168323466.db2.gz YNQKXJUJDALKIU-SNVBAGLBSA-N 2 2 200.326 1.225 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1CCO[C@H](C)C1 ZINC000019519311 168323469 /nfs/dbraw/zinc/32/34/69/168323469.db2.gz YNQKXJUJDALKIU-SNVBAGLBSA-N 2 2 200.326 1.225 10 0 BDAELP C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1Cc1cccc(F)c1 ZINC000616588798 349509073 /nfs/dbraw/zinc/50/90/73/349509073.db2.gz FIBWHAGNCYJFCO-STQMWFEESA-N 2 2 222.307 1.790 10 0 BDAELP C[N@H+]1CCC[C@H]([NH3+])[C@@H]1Cc1cccc(F)c1 ZINC000616588798 349509075 /nfs/dbraw/zinc/50/90/75/349509075.db2.gz FIBWHAGNCYJFCO-STQMWFEESA-N 2 2 222.307 1.790 10 0 BDAELP [NH3+][C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381611508 398253865 /nfs/dbraw/zinc/25/38/65/398253865.db2.gz ISURXSGUBWHHEO-UWVGGRQHSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+][C@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000381611508 398253868 /nfs/dbraw/zinc/25/38/68/398253868.db2.gz ISURXSGUBWHHEO-UWVGGRQHSA-N 2 2 218.291 1.845 10 0 BDAELP CCC[C@@H](C[NH2+][C@@H]1CCC[N@H+](CC)C1)OC ZINC000386006075 398263217 /nfs/dbraw/zinc/26/32/17/398263217.db2.gz LPQUKBBERZZFPP-OLZOCXBDSA-N 2 2 228.380 1.875 10 0 BDAELP CCC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](CC)C1)OC ZINC000386006075 398263219 /nfs/dbraw/zinc/26/32/19/398263219.db2.gz LPQUKBBERZZFPP-OLZOCXBDSA-N 2 2 228.380 1.875 10 0 BDAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cscc1Cl ZINC000381583743 398264899 /nfs/dbraw/zinc/26/48/99/398264899.db2.gz GLDTWWPVILPBLV-XCBNKYQSSA-N 2 2 246.763 1.071 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC000069761945 342839477 /nfs/dbraw/zinc/83/94/77/342839477.db2.gz QBKGJVSBKYXGOS-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC000069761945 342839478 /nfs/dbraw/zinc/83/94/78/342839478.db2.gz QBKGJVSBKYXGOS-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@H]1CO[C@@H](C)C[N@@H+]1C(C)(C)C[NH3+] ZINC000042450412 362001977 /nfs/dbraw/zinc/00/19/77/362001977.db2.gz FRDOSWMIMKVVCK-UWVGGRQHSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H]1CO[C@@H](C)C[N@H+]1C(C)(C)C[NH3+] ZINC000042450412 362001982 /nfs/dbraw/zinc/00/19/82/362001982.db2.gz FRDOSWMIMKVVCK-UWVGGRQHSA-N 2 2 200.326 1.223 10 0 BDAELP CC1(C)C[C@@H]1[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC000127121621 342923035 /nfs/dbraw/zinc/92/30/35/342923035.db2.gz BULDMLOHOCPPGD-BDAKNGLRSA-N 2 2 200.351 1.080 10 0 BDAELP Cc1nccc(C[NH2+][C@H](C)CC[NH+](C)C)n1 ZINC000054790852 136372986 /nfs/dbraw/zinc/37/29/86/136372986.db2.gz MAQYXAWAYKWXCQ-SNVBAGLBSA-N 2 2 222.336 1.215 10 0 BDAELP CC(C)(C)[C@H]1CCOCC[N@@H+]1CC[NH3+] ZINC000616597572 343518905 /nfs/dbraw/zinc/51/89/05/343518905.db2.gz BMZGEQXZDKWHNM-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@H]1CCOCC[N@H+]1CC[NH3+] ZINC000616597572 343518907 /nfs/dbraw/zinc/51/89/07/343518907.db2.gz BMZGEQXZDKWHNM-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CCOC[C@H]1C[N@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409425906 343820806 /nfs/dbraw/zinc/82/08/06/343820806.db2.gz BEHBLPCGCMVSIZ-RKDXNWHRSA-N 2 2 240.269 1.092 10 0 BDAELP CCOC[C@H]1C[N@@H+](CC[NH3+])C[C@H]1C(F)(F)F ZINC000409425906 343820807 /nfs/dbraw/zinc/82/08/07/343820807.db2.gz BEHBLPCGCMVSIZ-RKDXNWHRSA-N 2 2 240.269 1.092 10 0 BDAELP C[N@@H+]1CCSC[C@@H]1[C@@H]([NH3+])C1CCC1 ZINC000234313773 343940476 /nfs/dbraw/zinc/94/04/76/343940476.db2.gz UXYVDAJLMOUQBI-ZJUUUORDSA-N 2 2 200.351 1.161 10 0 BDAELP C[N@H+]1CCSC[C@@H]1[C@@H]([NH3+])C1CCC1 ZINC000234313773 343940479 /nfs/dbraw/zinc/94/04/79/343940479.db2.gz UXYVDAJLMOUQBI-ZJUUUORDSA-N 2 2 200.351 1.161 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232182 343972802 /nfs/dbraw/zinc/97/28/02/343972802.db2.gz RASWVRMZYMAGPC-JTQLQIEISA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@H](C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232182 343972806 /nfs/dbraw/zinc/97/28/06/343972806.db2.gz RASWVRMZYMAGPC-JTQLQIEISA-N 2 2 200.326 1.081 10 0 BDAELP CO[C@H](C)C[NH2+]CC[NH2+]Cc1ccccc1 ZINC000224611208 344956725 /nfs/dbraw/zinc/95/67/25/344956725.db2.gz IGFOFRFCHFZMNS-GFCCVEGCSA-N 2 2 222.332 1.401 10 0 BDAELP C[C@H](c1nccs1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000083143904 345915110 /nfs/dbraw/zinc/91/51/10/345915110.db2.gz VNCJIMQMOZVXLJ-NXEZZACHSA-N 2 2 225.361 1.875 10 0 BDAELP C[C@H](c1nccs1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000083143904 345915111 /nfs/dbraw/zinc/91/51/11/345915111.db2.gz VNCJIMQMOZVXLJ-NXEZZACHSA-N 2 2 225.361 1.875 10 0 BDAELP Cc1cccc(CC[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000057939516 179056953 /nfs/dbraw/zinc/05/69/53/179056953.db2.gz LFJALKOIEABECH-AWEZNQCLSA-N 2 2 218.344 1.961 10 0 BDAELP Cc1cccc(CC[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000057939516 179056955 /nfs/dbraw/zinc/05/69/55/179056955.db2.gz LFJALKOIEABECH-AWEZNQCLSA-N 2 2 218.344 1.961 10 0 BDAELP [NH3+]C[C@@H]1C[NH2+]C[C@H](C[NH+]2CCCCCC2)C1 ZINC000669378989 537972329 /nfs/dbraw/zinc/97/23/29/537972329.db2.gz RQQFAFSFTIVENT-CHWSQXEVSA-N 3 2 225.380 1.047 10 0 BDAELP CC(C)[NH+](C[C@H]1C[NH2+]C[C@@H](C[NH3+])C1)C(C)C ZINC000669378797 537971168 /nfs/dbraw/zinc/97/11/68/537971168.db2.gz NVXJHVFTSYWIDC-CHWSQXEVSA-N 3 2 227.396 1.290 10 0 BDAELP C[C@@H]1C[NH2+][C@]2(CC[NH2+]C[C@@H]2C)SC1 ZINC000229565615 346437720 /nfs/dbraw/zinc/43/77/20/346437720.db2.gz COQXISBCUBLWCC-KXUCPTDWSA-N 2 2 200.351 1.285 10 0 BDAELP Cc1ccccc1Cc1[nH]c(C[NH3+])c[nH+]1 ZINC000062820760 179292666 /nfs/dbraw/zinc/29/26/66/179292666.db2.gz HGMWZRSSRCKEBT-UHFFFAOYSA-N 2 2 201.273 1.768 10 0 BDAELP CCC(C)(C)[NH2+]C[C@@]1(O)CC[NH2+]CC1(F)F ZINC000669381980 538002403 /nfs/dbraw/zinc/00/24/03/538002403.db2.gz CSAWWFYYAYATDE-JTQLQIEISA-N 2 2 236.306 1.124 10 0 BDAELP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068335 191053573 /nfs/dbraw/zinc/05/35/73/191053573.db2.gz MPWIZPYCHBDIQE-GHMZBOCLSA-N 2 2 207.321 1.807 10 0 BDAELP Cc1nc(N[C@@H]2CCCC[C@H]2[NH3+])cc[nH+]1 ZINC000054936779 180203982 /nfs/dbraw/zinc/20/39/82/180203982.db2.gz HWXJZVMQDNLOOJ-NXEZZACHSA-N 2 2 206.293 1.467 10 0 BDAELP Cc1nc(N[C@H]2c3ccccc3C[C@@H]2[NH3+])cc[nH+]1 ZINC000104322553 180207286 /nfs/dbraw/zinc/20/72/86/180207286.db2.gz YVXWSOATTJLVDC-JSGCOSHPSA-N 2 2 240.310 1.822 10 0 BDAELP Cc1[nH+]ccn1CCOc1ccc[nH+]c1N ZINC000049329264 180263152 /nfs/dbraw/zinc/26/31/52/180263152.db2.gz RDCZAKRLMQWQSY-UHFFFAOYSA-N 2 2 218.260 1.248 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](C)O ZINC000248715632 180269160 /nfs/dbraw/zinc/26/91/60/180269160.db2.gz DUZIPQHNXQPPFF-CMPLNLGQSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](C)O ZINC000248715632 180269161 /nfs/dbraw/zinc/26/91/61/180269161.db2.gz DUZIPQHNXQPPFF-CMPLNLGQSA-N 2 2 223.320 1.037 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c[nH]cn1 ZINC000180126177 180269178 /nfs/dbraw/zinc/26/91/78/180269178.db2.gz QIBNEHAHHQXFIX-CYBMUJFWSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c[nH]cn1 ZINC000180126177 180269180 /nfs/dbraw/zinc/26/91/80/180269180.db2.gz QIBNEHAHHQXFIX-CYBMUJFWSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc[nH]1 ZINC000180126177 180269182 /nfs/dbraw/zinc/26/91/82/180269182.db2.gz QIBNEHAHHQXFIX-CYBMUJFWSA-N 2 2 245.330 1.579 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc[nH]1 ZINC000180126177 180269184 /nfs/dbraw/zinc/26/91/84/180269184.db2.gz QIBNEHAHHQXFIX-CYBMUJFWSA-N 2 2 245.330 1.579 10 0 BDAELP COc1ccc[nH+]c1NCC1CC[NH2+]CC1 ZINC000159439571 350532139 /nfs/dbraw/zinc/53/21/39/350532139.db2.gz SZYRSJJQZWFWDE-UHFFFAOYSA-N 2 2 221.304 1.502 10 0 BDAELP CC(C)(C)[N@@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616596222 350631854 /nfs/dbraw/zinc/63/18/54/350631854.db2.gz RUSDAJNTXIGKAJ-LLVKDONJSA-N 2 2 223.320 1.903 10 0 BDAELP CC(C)(C)[N@H+]1CCO[C@@H](n2cc[nH+]c2)CC1 ZINC000616596222 350631858 /nfs/dbraw/zinc/63/18/58/350631858.db2.gz RUSDAJNTXIGKAJ-LLVKDONJSA-N 2 2 223.320 1.903 10 0 BDAELP CNc1cccc([C@@H]2CCOCC[N@@H+]2CC[NH3+])c1 ZINC000616597407 350652233 /nfs/dbraw/zinc/65/22/33/350652233.db2.gz HRUXQCPZOYDEOL-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1cccc([C@@H]2CCOCC[N@H+]2CC[NH3+])c1 ZINC000616597407 350652237 /nfs/dbraw/zinc/65/22/37/350652237.db2.gz HRUXQCPZOYDEOL-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP CC[N@@H+]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339132782 350735897 /nfs/dbraw/zinc/73/58/97/350735897.db2.gz KWTUXAXWMFZMFB-JTQLQIEISA-N 2 2 245.330 1.854 10 0 BDAELP CC[N@H+]1CCC[C@H](Nc2[nH+]cnc3[nH]ccc32)C1 ZINC000339132782 350735902 /nfs/dbraw/zinc/73/59/02/350735902.db2.gz KWTUXAXWMFZMFB-JTQLQIEISA-N 2 2 245.330 1.854 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccno2)C1 ZINC000616604498 350793398 /nfs/dbraw/zinc/79/33/98/350793398.db2.gz QIAZIPNFRQQKLU-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccno2)C1 ZINC000616604498 350793401 /nfs/dbraw/zinc/79/34/01/350793401.db2.gz QIAZIPNFRQQKLU-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP Nc1ccc([C@@H]2CCC[N@@H+]2CC[NH3+])cc1 ZINC000616607787 350802456 /nfs/dbraw/zinc/80/24/56/350802456.db2.gz MNSJWGBGEARMPH-LBPRGKRZSA-N 2 2 205.305 1.364 10 0 BDAELP Nc1ccc([C@@H]2CCC[N@H+]2CC[NH3+])cc1 ZINC000616607787 350802461 /nfs/dbraw/zinc/80/24/61/350802461.db2.gz MNSJWGBGEARMPH-LBPRGKRZSA-N 2 2 205.305 1.364 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@H](c2ccc3cccnc3c2)C1 ZINC000616611498 350809234 /nfs/dbraw/zinc/80/92/34/350809234.db2.gz FWLCAKNROPUSMT-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@H](c2ccc3cccnc3c2)C1 ZINC000616611498 350809235 /nfs/dbraw/zinc/80/92/35/350809235.db2.gz FWLCAKNROPUSMT-AWEZNQCLSA-N 2 2 241.338 1.983 10 0 BDAELP C[C@@H]1[C@@H]([NH2+]C2CSC2)CCC[N@@H+]1C ZINC000306700397 350848960 /nfs/dbraw/zinc/84/89/60/350848960.db2.gz FPTAKRDUFMPEQP-SCZZXKLOSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1[C@@H]([NH2+]C2CSC2)CCC[N@H+]1C ZINC000306700397 350848963 /nfs/dbraw/zinc/84/89/63/350848963.db2.gz FPTAKRDUFMPEQP-SCZZXKLOSA-N 2 2 200.351 1.174 10 0 BDAELP CNc1ccc(C2CC[NH+](CC[NH3+])CC2)cc1 ZINC000616619401 350926490 /nfs/dbraw/zinc/92/64/90/350926490.db2.gz JCLHSLVZCQSHAZ-UHFFFAOYSA-N 2 2 233.359 1.866 10 0 BDAELP C[NH2+][C@@H](C)C[NH2+]CCOCc1ccccc1 ZINC000306744073 350932779 /nfs/dbraw/zinc/93/27/79/350932779.db2.gz IADCJAGVYSPASU-LBPRGKRZSA-N 2 2 222.332 1.401 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C[N@H+]1C1CC1 ZINC000252711459 538099787 /nfs/dbraw/zinc/09/97/87/538099787.db2.gz JOEITBPPUXFPNL-OWTLIXCDSA-N 2 2 238.375 1.505 10 0 BDAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C[N@@H+]1C1CC1 ZINC000252711459 538099785 /nfs/dbraw/zinc/09/97/85/538099785.db2.gz JOEITBPPUXFPNL-OWTLIXCDSA-N 2 2 238.375 1.505 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1cnnc2ccccc21 ZINC000616634577 351117141 /nfs/dbraw/zinc/11/71/41/351117141.db2.gz UJKXRAHGBKUNKL-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1cnnc2ccccc21 ZINC000616634577 351117142 /nfs/dbraw/zinc/11/71/42/351117142.db2.gz UJKXRAHGBKUNKL-AWEZNQCLSA-N 2 2 242.326 1.725 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2cccnn2)C1 ZINC000616627533 351095776 /nfs/dbraw/zinc/09/57/76/351095776.db2.gz KDQDKACLUNZOTD-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2cccnn2)C1 ZINC000616627533 351095778 /nfs/dbraw/zinc/09/57/78/351095778.db2.gz KDQDKACLUNZOTD-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1cc(F)cc(Cl)c1 ZINC000168281964 351366513 /nfs/dbraw/zinc/36/65/13/351366513.db2.gz DYMUNZZYGCMRNE-VIFPVBQESA-N 2 2 202.660 1.698 10 0 BDAELP [NH3+]C1CC([N@@H+]2CCC=C(Br)C2)C1 ZINC000404389787 363060389 /nfs/dbraw/zinc/06/03/89/363060389.db2.gz LVZPGLHSXNKYMR-UHFFFAOYSA-N 2 2 231.137 1.461 10 0 BDAELP [NH3+]C1CC([N@H+]2CCC=C(Br)C2)C1 ZINC000404389787 363060393 /nfs/dbraw/zinc/06/03/93/363060393.db2.gz LVZPGLHSXNKYMR-UHFFFAOYSA-N 2 2 231.137 1.461 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1C1(C[NH3+])CSC1 ZINC000307421572 352590680 /nfs/dbraw/zinc/59/06/80/352590680.db2.gz RQXXKADVONWPOS-SECBINFHSA-N 2 2 200.351 1.305 10 0 BDAELP C[C@@H]1CCCC[N@H+]1C1(C[NH3+])CSC1 ZINC000307421572 352590681 /nfs/dbraw/zinc/59/06/81/352590681.db2.gz RQXXKADVONWPOS-SECBINFHSA-N 2 2 200.351 1.305 10 0 BDAELP CC(C)C[C@@H]1C[N@H+](CCC[NH+](C)C)CCC[NH2+]1 ZINC000062620570 187784350 /nfs/dbraw/zinc/78/43/50/187784350.db2.gz FORRGPQBYFRRTC-CQSZACIVSA-N 3 2 241.423 1.648 10 0 BDAELP CC(C)C[C@@H]1C[N@@H+](CCC[NH+](C)C)CCC[NH2+]1 ZINC000062620570 187784351 /nfs/dbraw/zinc/78/43/51/187784351.db2.gz FORRGPQBYFRRTC-CQSZACIVSA-N 3 2 241.423 1.648 10 0 BDAELP C[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000165350146 353308349 /nfs/dbraw/zinc/30/83/49/353308349.db2.gz GYGYKRDZIWVGKG-SECBINFHSA-N 2 2 244.298 1.373 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000252448058 363254698 /nfs/dbraw/zinc/25/46/98/363254698.db2.gz RNNMLPMFMPAYGE-GMTAPVOTSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H](C[NH3+])[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000252448058 363254701 /nfs/dbraw/zinc/25/47/01/363254701.db2.gz RNNMLPMFMPAYGE-GMTAPVOTSA-N 2 2 200.326 1.079 10 0 BDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccncc1 ZINC000399045220 353741260 /nfs/dbraw/zinc/74/12/60/353741260.db2.gz UINYZOQZLVTDCL-GFCCVEGCSA-N 2 2 249.358 1.189 10 0 BDAELP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1cccnc1 ZINC000399056254 353745222 /nfs/dbraw/zinc/74/52/22/353745222.db2.gz ZSSUSISACLKVDN-LBPRGKRZSA-N 2 2 249.358 1.189 10 0 BDAELP C[N@H+](Cc1ccno1)[C@H]1CCC[NH2+]CC1 ZINC000231669448 363347134 /nfs/dbraw/zinc/34/71/34/363347134.db2.gz XYWUTZLNSFEORP-JTQLQIEISA-N 2 2 209.293 1.249 10 0 BDAELP C[N@@H+](Cc1ccno1)[C@H]1CCC[NH2+]CC1 ZINC000231669448 363347139 /nfs/dbraw/zinc/34/71/39/363347139.db2.gz XYWUTZLNSFEORP-JTQLQIEISA-N 2 2 209.293 1.249 10 0 BDAELP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384368498 356626956 /nfs/dbraw/zinc/62/69/56/356626956.db2.gz JKNRWHIXJQXKGQ-HZSPNIEDSA-N 2 2 240.391 1.611 10 0 BDAELP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384368498 356626958 /nfs/dbraw/zinc/62/69/58/356626958.db2.gz JKNRWHIXJQXKGQ-HZSPNIEDSA-N 2 2 240.391 1.611 10 0 BDAELP Cc1cn2c(n1)[C@@H](Cc1c[nH]c[nH+]1)[NH2+]CCC2 ZINC000675067461 538494210 /nfs/dbraw/zinc/49/42/10/538494210.db2.gz DXRUKTLUUHNMCA-LLVKDONJSA-N 2 2 231.303 1.192 10 0 BDAELP Cc1ccc(F)cc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077812 538513588 /nfs/dbraw/zinc/51/35/88/538513588.db2.gz IYQRESUUJNJHTG-NSHDSACASA-N 2 2 206.264 1.448 10 0 BDAELP Cc1ccccc1CC1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077521 538513615 /nfs/dbraw/zinc/51/36/15/538513615.db2.gz FVAARPYLMVFGQE-ZDUSSCGKSA-N 2 2 202.301 1.394 10 0 BDAELP Cc1nc(C)c(CC2=C[C@H]([NH3+])C[NH2+]C2)s1 ZINC000675077480 538514067 /nfs/dbraw/zinc/51/40/67/538514067.db2.gz FMWMKNANFQRQQJ-JTQLQIEISA-N 2 2 223.345 1.159 10 0 BDAELP [NH3+][C@H]1C=C(c2cc(F)ccc2F)C[NH2+]C1 ZINC000675078479 538516380 /nfs/dbraw/zinc/51/63/80/538516380.db2.gz QBDJPJUDYSNPQU-VIFPVBQESA-N 2 2 210.227 1.279 10 0 BDAELP CC[N@@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000389531721 356969866 /nfs/dbraw/zinc/96/98/66/356969866.db2.gz INRYWCKOXZQXIW-AGIUHOORSA-N 2 2 237.391 1.295 10 0 BDAELP CC[N@H+]1CC[C@H](N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000389531721 356969869 /nfs/dbraw/zinc/96/98/69/356969869.db2.gz INRYWCKOXZQXIW-AGIUHOORSA-N 2 2 237.391 1.295 10 0 BDAELP CC[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000389531721 356969872 /nfs/dbraw/zinc/96/98/72/356969872.db2.gz INRYWCKOXZQXIW-AGIUHOORSA-N 2 2 237.391 1.295 10 0 BDAELP CC[NH+]1CC[C@H](N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000389531721 356969874 /nfs/dbraw/zinc/96/98/74/356969874.db2.gz INRYWCKOXZQXIW-AGIUHOORSA-N 2 2 237.391 1.295 10 0 BDAELP C[C@@H]1SCC[N@@H+](C2(C[NH3+])CC2)[C@H]1C ZINC000300062603 357182299 /nfs/dbraw/zinc/18/22/99/357182299.db2.gz 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ZINC000578348080 366532200 /nfs/dbraw/zinc/53/22/00/366532200.db2.gz GSWCFEMLRNJRLZ-CHWSQXEVSA-N 3 2 239.407 1.448 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000246888168 359173839 /nfs/dbraw/zinc/17/38/39/359173839.db2.gz DYHYTVFSNWLSQG-UONOGXRCSA-N 2 2 249.358 1.835 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H]1CCCO1 ZINC000246888168 359173845 /nfs/dbraw/zinc/17/38/45/359173845.db2.gz DYHYTVFSNWLSQG-UONOGXRCSA-N 2 2 249.358 1.835 10 0 BDAELP [NH3+]Cc1csc(C[NH+]2CCSCC2)n1 ZINC000306219635 359336059 /nfs/dbraw/zinc/33/60/59/359336059.db2.gz GSWYFJDJPXZJKE-UHFFFAOYSA-N 2 2 229.374 1.151 10 0 BDAELP CC(C)([NH3+])C[N@@H+]1CCS[C@H]2CCC[C@H]21 ZINC000306555266 360427797 /nfs/dbraw/zinc/42/77/97/360427797.db2.gz BTNOIGCKTSZLBZ-ZJUUUORDSA-N 2 2 214.378 1.694 10 0 BDAELP CC(C)([NH3+])C[N@H+]1CCS[C@H]2CCC[C@H]21 ZINC000306555266 360427799 /nfs/dbraw/zinc/42/77/99/360427799.db2.gz BTNOIGCKTSZLBZ-ZJUUUORDSA-N 2 2 214.378 1.694 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000309489121 491149641 /nfs/dbraw/zinc/14/96/41/491149641.db2.gz WMEPTESSYSLOHQ-GXSJLCMTSA-N 2 2 220.320 1.537 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC000309489121 491149642 /nfs/dbraw/zinc/14/96/42/491149642.db2.gz WMEPTESSYSLOHQ-GXSJLCMTSA-N 2 2 220.320 1.537 10 0 BDAELP C[NH2+][C@H](C)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000069910060 361016481 /nfs/dbraw/zinc/01/64/81/361016481.db2.gz WKPVACLGJXLSQV-OPRDCNLKSA-N 2 2 202.367 1.420 10 0 BDAELP C[NH2+]CCOCCN(C)c1[nH]c2ccccc2[nH+]1 ZINC000630529547 364217309 /nfs/dbraw/zinc/21/73/09/364217309.db2.gz AFOHYTWUNCDNRQ-UHFFFAOYSA-N 2 2 248.330 1.235 10 0 BDAELP C[C@]12C[NH2+]C[C@@]1(C)CN(c1cccc[nH+]1)C2 ZINC000630538414 364233755 /nfs/dbraw/zinc/23/37/55/364233755.db2.gz LDFUXDLFJKTWOV-BETUJISGSA-N 2 2 217.316 1.517 10 0 BDAELP Cc1nc(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc[nH+]1 ZINC000630539747 364234894 /nfs/dbraw/zinc/23/48/94/364234894.db2.gz JNMLBDONCPLPRF-BETUJISGSA-N 2 2 232.331 1.221 10 0 BDAELP C[C@@H]1[NH2+]CC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000630546516 364240063 /nfs/dbraw/zinc/24/00/63/364240063.db2.gz WSOICRHFTOSCEG-VHSXEESVSA-N 2 2 230.315 1.158 10 0 BDAELP [NH3+]CC1(N2CCn3cc[nH+]c3C2)CCCCCC1 ZINC000062249398 181360763 /nfs/dbraw/zinc/36/07/63/181360763.db2.gz MZANMOPTOOVCKY-UHFFFAOYSA-N 2 2 248.374 1.750 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(OC(F)(F)F)c(F)c1 ZINC000044473238 181420044 /nfs/dbraw/zinc/42/00/44/181420044.db2.gz LNEOOEDYRYWJCL-SSDOTTSWSA-N 2 2 238.184 1.683 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@H](COC)C(C)C)[C@@H](C)C1 ZINC000381406565 541461042 /nfs/dbraw/zinc/46/10/42/541461042.db2.gz SMOWRADQXYCIQW-RWMBFGLXSA-N 2 2 228.380 1.587 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@H](COC)C(C)C)[C@@H](C)C1 ZINC000381406565 541461045 /nfs/dbraw/zinc/46/10/45/541461045.db2.gz SMOWRADQXYCIQW-RWMBFGLXSA-N 2 2 228.380 1.587 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH3+])[C@H]1c1nccs1 ZINC000252776395 368061852 /nfs/dbraw/zinc/06/18/52/368061852.db2.gz XYBSUGHLHWQOEO-BDAKNGLRSA-N 2 2 211.334 1.485 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH3+])[C@H]1c1nccs1 ZINC000252776395 368061858 /nfs/dbraw/zinc/06/18/58/368061858.db2.gz XYBSUGHLHWQOEO-BDAKNGLRSA-N 2 2 211.334 1.485 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253191737 368611228 /nfs/dbraw/zinc/61/12/28/368611228.db2.gz MLPUMLQFUMUQPZ-WDEREUQCSA-N 2 2 235.331 1.511 10 0 BDAELP C[C@]1([NH3+])C[N@H+](Cc2ccccc2)CC12CC2 ZINC000113077254 368882964 /nfs/dbraw/zinc/88/29/64/368882964.db2.gz ISCHGRWESPMROQ-ZDUSSCGKSA-N 2 2 216.328 2.000 10 0 BDAELP C[C@]1([NH3+])C[N@@H+](Cc2ccccc2)CC12CC2 ZINC000113077254 368882967 /nfs/dbraw/zinc/88/29/67/368882967.db2.gz ISCHGRWESPMROQ-ZDUSSCGKSA-N 2 2 216.328 2.000 10 0 BDAELP CC[N@@H+]1CCO[C@@H](CNc2cccc[nH+]2)C1 ZINC000123040588 369217439 /nfs/dbraw/zinc/21/74/39/369217439.db2.gz VXQKYTBWYGQPTN-NSHDSACASA-N 2 2 221.304 1.214 10 0 BDAELP CC[N@H+]1CCO[C@@H](CNc2cccc[nH+]2)C1 ZINC000123040588 369217444 /nfs/dbraw/zinc/21/74/44/369217444.db2.gz VXQKYTBWYGQPTN-NSHDSACASA-N 2 2 221.304 1.214 10 0 BDAELP Cc1cc[nH+]c(N)c1C(=O)CC(C)(C)[NH3+] ZINC000226502615 371684986 /nfs/dbraw/zinc/68/49/86/371684986.db2.gz APCQWOJYPRRWAU-UHFFFAOYSA-N 2 2 207.277 1.282 10 0 BDAELP CC[C@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)CCS1 ZINC000133028341 371974658 /nfs/dbraw/zinc/97/46/58/371974658.db2.gz FDOWAJGTBFFAIM-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)CCS1 ZINC000133028341 371974666 /nfs/dbraw/zinc/97/46/66/371974666.db2.gz FDOWAJGTBFFAIM-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1CCSC(N[C@H]2CC[N@H+](C)C2)=[NH+]1 ZINC000133524518 372069013 /nfs/dbraw/zinc/06/90/13/372069013.db2.gz FTJQSJPZZGCTDX-IUCAKERBSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@H]1CCSC(N[C@H]2CC[N@@H+](C)C2)=[NH+]1 ZINC000133524518 372069016 /nfs/dbraw/zinc/06/90/16/372069016.db2.gz FTJQSJPZZGCTDX-IUCAKERBSA-N 2 2 213.350 1.162 10 0 BDAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843428 372640151 /nfs/dbraw/zinc/64/01/51/372640151.db2.gz NOLFNOZTHJEXBT-NEPJUHHUSA-N 2 2 247.342 1.152 10 0 BDAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@@H]1C[NH3+] ZINC000631843428 372640158 /nfs/dbraw/zinc/64/01/58/372640158.db2.gz NOLFNOZTHJEXBT-NEPJUHHUSA-N 2 2 247.342 1.152 10 0 BDAELP O[C@@H]1CCC[C@@H]1C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942167 183195947 /nfs/dbraw/zinc/19/59/47/183195947.db2.gz QUICEFGTZGPJLX-MGPQQGTHSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@@H]1CCC[C@@H]1C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000062942167 183195949 /nfs/dbraw/zinc/19/59/49/183195949.db2.gz QUICEFGTZGPJLX-MGPQQGTHSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@@H]1CCC[C@@H]1C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942167 183195950 /nfs/dbraw/zinc/19/59/50/183195950.db2.gz QUICEFGTZGPJLX-MGPQQGTHSA-N 2 2 238.375 1.318 10 0 BDAELP O[C@@H]1CCC[C@@H]1C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000062942167 183195952 /nfs/dbraw/zinc/19/59/52/183195952.db2.gz QUICEFGTZGPJLX-MGPQQGTHSA-N 2 2 238.375 1.318 10 0 BDAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1cccc(C)c1 ZINC000042966971 169167372 /nfs/dbraw/zinc/16/73/72/169167372.db2.gz JDHMNELJFIZSPZ-CQSZACIVSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1cccc(C)c1 ZINC000042966971 169167373 /nfs/dbraw/zinc/16/73/73/169167373.db2.gz JDHMNELJFIZSPZ-CQSZACIVSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@H+](CCO)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042972428 169167637 /nfs/dbraw/zinc/16/76/37/169167637.db2.gz NFNDRDVIJRRCFJ-CYBMUJFWSA-N 2 2 240.322 1.530 10 0 BDAELP CCC[N@@H+](CCO)[C@H](C[NH3+])c1cccc(F)c1 ZINC000042972428 169167639 /nfs/dbraw/zinc/16/76/39/169167639.db2.gz NFNDRDVIJRRCFJ-CYBMUJFWSA-N 2 2 240.322 1.530 10 0 BDAELP CCC[NH+]1CCC([N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000049714173 169187134 /nfs/dbraw/zinc/18/71/34/169187134.db2.gz JZFPTSLTLRVNGP-OCCSQVGLSA-N 3 2 239.407 1.530 10 0 BDAELP CCC[NH+]1CCC([N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000049714173 169187135 /nfs/dbraw/zinc/18/71/35/169187135.db2.gz JZFPTSLTLRVNGP-OCCSQVGLSA-N 3 2 239.407 1.530 10 0 BDAELP CCC[NH2+]CC[N@@H+]1CCCC[C@H]1CCO ZINC000042409289 169258562 /nfs/dbraw/zinc/25/85/62/169258562.db2.gz VVPKVYKJACHHMV-LBPRGKRZSA-N 2 2 214.353 1.223 10 0 BDAELP CCC[NH2+]CC[N@H+]1CCCC[C@H]1CCO ZINC000042409289 169258564 /nfs/dbraw/zinc/25/85/64/169258564.db2.gz VVPKVYKJACHHMV-LBPRGKRZSA-N 2 2 214.353 1.223 10 0 BDAELP CCC[NH2+]CC[N@@H+]1CCCC[C@@H]1CCO ZINC000042409288 169258716 /nfs/dbraw/zinc/25/87/16/169258716.db2.gz VVPKVYKJACHHMV-GFCCVEGCSA-N 2 2 214.353 1.223 10 0 BDAELP CCC[NH2+]CC[N@H+]1CCCC[C@@H]1CCO ZINC000042409288 169258717 /nfs/dbraw/zinc/25/87/17/169258717.db2.gz VVPKVYKJACHHMV-GFCCVEGCSA-N 2 2 214.353 1.223 10 0 BDAELP CCC[NH2+]C[C@@H](C)C[NH+]1CCC([NH+](C)C)CC1 ZINC000052477581 169261182 /nfs/dbraw/zinc/26/11/82/169261182.db2.gz CTHGLTVICZJZEM-CYBMUJFWSA-N 3 2 241.423 1.648 10 0 BDAELP CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000042422761 169311878 /nfs/dbraw/zinc/31/18/78/169311878.db2.gz QFOOTLCSSJNUGT-CHWSQXEVSA-N 2 2 226.364 1.629 10 0 BDAELP CCCO[C@@H]1CCC[N@H+]([C@@H]2CCC[NH2+]C2)C1 ZINC000042422761 169311880 /nfs/dbraw/zinc/31/18/80/169311880.db2.gz QFOOTLCSSJNUGT-CHWSQXEVSA-N 2 2 226.364 1.629 10 0 BDAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1C ZINC000647251700 383892224 /nfs/dbraw/zinc/89/22/24/383892224.db2.gz HKNMZPBVMQQJAC-CYZMBNFOSA-N 2 2 248.374 1.764 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(Br)cc1F ZINC000035676919 384089028 /nfs/dbraw/zinc/08/90/28/384089028.db2.gz IWYPOJGIGIBKEG-QMMMGPOBSA-N 2 2 233.084 1.547 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000072200589 384200790 /nfs/dbraw/zinc/20/07/90/384200790.db2.gz WNLYXJJZGURMKD-MRVPVSSYSA-N 2 2 202.204 1.247 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000132999467 384219176 /nfs/dbraw/zinc/21/91/76/384219176.db2.gz OLWBVTNXHCLUPO-MCIONIFRSA-N 2 2 239.407 1.543 10 0 BDAELP CCN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000132999467 384219180 /nfs/dbraw/zinc/21/91/80/384219180.db2.gz OLWBVTNXHCLUPO-MCIONIFRSA-N 2 2 239.407 1.543 10 0 BDAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]CC(=O)c1ccc[nH]1 ZINC000095072251 384343957 /nfs/dbraw/zinc/34/39/57/384343957.db2.gz ACAJSXNPYXYJEC-VHSXEESVSA-N 2 2 221.304 1.057 10 0 BDAELP [NH3+][C@H](CCO)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000095077227 384353636 /nfs/dbraw/zinc/35/36/36/384353636.db2.gz MGUFXDGIOHHUKA-HUUCEWRRSA-N 2 2 248.370 1.751 10 0 BDAELP [NH3+][C@H](CCO)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095077227 384353638 /nfs/dbraw/zinc/35/36/38/384353638.db2.gz MGUFXDGIOHHUKA-HUUCEWRRSA-N 2 2 248.370 1.751 10 0 BDAELP C[C@H]([NH2+][C@H]1CCCC[C@@H]1[NH3+])c1cnccn1 ZINC000095068322 384331015 /nfs/dbraw/zinc/33/10/15/384331015.db2.gz VLJHWKMPVUHAHI-DCAQKATOSA-N 2 2 220.320 1.397 10 0 BDAELP c1cc(NC[C@H]2CC[NH2+]C2)nc(C2CC2)[nH+]1 ZINC000212228829 384563269 /nfs/dbraw/zinc/56/32/69/384563269.db2.gz ZXLFDCUDCUGXQS-VIFPVBQESA-N 2 2 218.304 1.375 10 0 BDAELP CC[C@@H]([NH3+])C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC000141436636 384674863 /nfs/dbraw/zinc/67/48/63/384674863.db2.gz KEWAVIHAPYVGBK-VXGBXAGGSA-N 2 2 236.315 1.185 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1F ZINC000072201031 384816530 /nfs/dbraw/zinc/81/65/30/384816530.db2.gz VZUUWURFTNDEIX-MRVPVSSYSA-N 2 2 222.185 1.803 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccc(O)c(Br)c1 ZINC000072201255 384816848 /nfs/dbraw/zinc/81/68/48/384816848.db2.gz AJUZWQZANVPSGQ-SSDOTTSWSA-N 2 2 231.093 1.113 10 0 BDAELP CC(C)(C)[C@@H]([NH3+])C[N@@H+]1CCCOCC1 ZINC000061917758 385003136 /nfs/dbraw/zinc/00/31/36/385003136.db2.gz LNTMFWYIOWWDKX-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@@H]([NH3+])C[N@H+]1CCCOCC1 ZINC000061917758 385003140 /nfs/dbraw/zinc/00/31/40/385003140.db2.gz LNTMFWYIOWWDKX-JTQLQIEISA-N 2 2 200.326 1.082 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cccc(Br)c1F ZINC000072201282 385333375 /nfs/dbraw/zinc/33/33/75/385333375.db2.gz RGFXAZBJMPYPQH-ZETCQYMHSA-N 2 2 233.084 1.547 10 0 BDAELP CCSCC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000309054096 385385953 /nfs/dbraw/zinc/38/59/53/385385953.db2.gz SRFGFKFWZRBQFB-SECBINFHSA-N 2 2 225.361 1.610 10 0 BDAELP CCSCC[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000309054096 385385955 /nfs/dbraw/zinc/38/59/55/385385955.db2.gz SRFGFKFWZRBQFB-SECBINFHSA-N 2 2 225.361 1.610 10 0 BDAELP [NH3+]Cc1ccc(Cl)cc1-n1cc[nH+]c1 ZINC000062787079 385476777 /nfs/dbraw/zinc/47/67/77/385476777.db2.gz VCLGRPUATKRAQK-UHFFFAOYSA-N 2 2 207.664 1.984 10 0 BDAELP [NH3+]Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000062793205 385564503 /nfs/dbraw/zinc/56/45/03/385564503.db2.gz XOQUWUUDPDWYRV-UHFFFAOYSA-N 2 2 207.664 1.984 10 0 BDAELP C[N@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000054417063 385629359 /nfs/dbraw/zinc/62/93/59/385629359.db2.gz WUOZMKNLNGXYQA-UHFFFAOYSA-N 2 2 203.289 1.558 10 0 BDAELP C[N@@H+](CC[NH3+])Cc1c[nH]c2ccccc12 ZINC000054417063 385629366 /nfs/dbraw/zinc/62/93/66/385629366.db2.gz WUOZMKNLNGXYQA-UHFFFAOYSA-N 2 2 203.289 1.558 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000336725007 385824164 /nfs/dbraw/zinc/82/41/64/385824164.db2.gz BOJKISBOHQHVIZ-GFCCVEGCSA-N 2 2 228.380 1.733 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)COC)C1 ZINC000336725007 385824170 /nfs/dbraw/zinc/82/41/70/385824170.db2.gz BOJKISBOHQHVIZ-GFCCVEGCSA-N 2 2 228.380 1.733 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3ncnc32)CC[N@@H+]1C ZINC000164643012 386177422 /nfs/dbraw/zinc/17/74/22/386177422.db2.gz JKZCVQMKDAQTMS-GRYCIOLGSA-N 2 2 249.362 1.185 10 0 BDAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCn3ncnc32)CC[N@H+]1C ZINC000164643012 386177428 /nfs/dbraw/zinc/17/74/28/386177428.db2.gz JKZCVQMKDAQTMS-GRYCIOLGSA-N 2 2 249.362 1.185 10 0 BDAELP c1sc(C2CC2)nc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414904336 386346668 /nfs/dbraw/zinc/34/66/68/386346668.db2.gz JPOUQXUJSJMSRY-SECBINFHSA-N 2 2 237.372 1.720 10 0 BDAELP CC[N@@H+]1CCC[C@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519427008 386443975 /nfs/dbraw/zinc/44/39/75/386443975.db2.gz VTVXGRVFNXQXOA-LBPRGKRZSA-N 2 2 236.363 1.600 10 0 BDAELP CC[N@H+]1CCC[C@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519427008 386443981 /nfs/dbraw/zinc/44/39/81/386443981.db2.gz VTVXGRVFNXQXOA-LBPRGKRZSA-N 2 2 236.363 1.600 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136207488 386572176 /nfs/dbraw/zinc/57/21/76/386572176.db2.gz QZCCUEKGJKGBEP-ZDUSSCGKSA-N 2 2 233.315 1.861 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1ccccn1 ZINC000396584868 386778328 /nfs/dbraw/zinc/77/83/28/386778328.db2.gz QSPPUQGHUUGJJR-NTZNESFSSA-N 2 2 219.332 1.873 10 0 BDAELP O[C@@H]1CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000398783188 386991635 /nfs/dbraw/zinc/99/16/35/386991635.db2.gz NYCVADWAFXAJRS-MELADBBJSA-N 2 2 249.358 1.366 10 0 BDAELP O[C@@H]1CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000398783188 386991637 /nfs/dbraw/zinc/99/16/37/386991637.db2.gz NYCVADWAFXAJRS-MELADBBJSA-N 2 2 249.358 1.366 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000400578351 387136609 /nfs/dbraw/zinc/13/66/09/387136609.db2.gz PRVYCXAZVJTPIO-SDDRHHMPSA-N 3 2 225.380 1.057 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578351 387136616 /nfs/dbraw/zinc/13/66/16/387136616.db2.gz PRVYCXAZVJTPIO-SDDRHHMPSA-N 3 2 225.380 1.057 10 0 BDAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@H+](C)C1CC1 ZINC000400578353 387137239 /nfs/dbraw/zinc/13/72/39/387137239.db2.gz PRVYCXAZVJTPIO-WOPDTQHZSA-N 3 2 225.380 1.057 10 0 BDAELP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578353 387137242 /nfs/dbraw/zinc/13/72/42/387137242.db2.gz PRVYCXAZVJTPIO-WOPDTQHZSA-N 3 2 225.380 1.057 10 0 BDAELP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)s1 ZINC000514854853 387297247 /nfs/dbraw/zinc/29/72/47/387297247.db2.gz ZZNQEAITUSKOGW-WDEREUQCSA-N 2 2 239.388 1.929 10 0 BDAELP CC(C)(C)[NH2+]CC[NH2+]C[C@H](O)C(C)(C)C ZINC000324640387 387489281 /nfs/dbraw/zinc/48/92/81/387489281.db2.gz XDDRJBMHMDPZBJ-JTQLQIEISA-N 2 2 216.369 1.371 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cnn(C)c1 ZINC000396646510 387928733 /nfs/dbraw/zinc/92/87/33/387928733.db2.gz CGOSDLDIDVUVIE-NHCYSSNCSA-N 2 2 222.336 1.211 10 0 BDAELP c1cn(CCCN2CC[N@@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000245647957 387969714 /nfs/dbraw/zinc/96/97/14/387969714.db2.gz GIMATLDDBYKSOM-ZDUSSCGKSA-N 2 2 234.347 1.053 10 0 BDAELP c1cn(CCCN2CC[N@H+]3CCC[C@H]3C2)c[nH+]1 ZINC000245647957 387969717 /nfs/dbraw/zinc/96/97/17/387969717.db2.gz GIMATLDDBYKSOM-ZDUSSCGKSA-N 2 2 234.347 1.053 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000323022060 387991685 /nfs/dbraw/zinc/99/16/85/387991685.db2.gz JNOHBWVAXAADQY-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)C1 ZINC000323022060 387991688 /nfs/dbraw/zinc/99/16/88/387991688.db2.gz JNOHBWVAXAADQY-NWDGAFQWSA-N 2 2 214.353 1.485 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000246274891 388025268 /nfs/dbraw/zinc/02/52/68/388025268.db2.gz MUOSFZJRDNSMKM-BNOWGMLFSA-N 2 2 240.391 1.730 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C)C1CC1 ZINC000246274891 388025269 /nfs/dbraw/zinc/02/52/69/388025269.db2.gz MUOSFZJRDNSMKM-BNOWGMLFSA-N 2 2 240.391 1.730 10 0 BDAELP CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000085436980 388089032 /nfs/dbraw/zinc/08/90/32/388089032.db2.gz UTXRUZGBJKLEKG-NSHDSACASA-N 2 2 249.362 1.439 10 0 BDAELP CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(N(C)C)n2)C1 ZINC000085436980 388089035 /nfs/dbraw/zinc/08/90/35/388089035.db2.gz UTXRUZGBJKLEKG-NSHDSACASA-N 2 2 249.362 1.439 10 0 BDAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]cn1C ZINC000245584172 388591640 /nfs/dbraw/zinc/59/16/40/388591640.db2.gz DKNHJPYAVYFDDJ-STQMWFEESA-N 2 2 248.374 1.479 10 0 BDAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]cn1C ZINC000245584172 388591641 /nfs/dbraw/zinc/59/16/41/388591641.db2.gz DKNHJPYAVYFDDJ-STQMWFEESA-N 2 2 248.374 1.479 10 0 BDAELP CO[C@H](C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000379205718 388597609 /nfs/dbraw/zinc/59/76/09/388597609.db2.gz LSGLPAAWMYAWCW-FPMFFAJLSA-N 2 2 234.343 1.653 10 0 BDAELP CO[C@H](C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000379205718 388597612 /nfs/dbraw/zinc/59/76/12/388597612.db2.gz LSGLPAAWMYAWCW-FPMFFAJLSA-N 2 2 234.343 1.653 10 0 BDAELP CC[C@@](C)(C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019472750 171166315 /nfs/dbraw/zinc/16/63/15/171166315.db2.gz ZTQLZCGGCMFWER-AXFHLTTASA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@@](C)(C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000019472750 171166317 /nfs/dbraw/zinc/16/63/17/171166317.db2.gz ZTQLZCGGCMFWER-AXFHLTTASA-N 2 2 200.326 1.223 10 0 BDAELP CC[NH+]1CCN(c2[nH+]cc(N)cc2C)CC1 ZINC000036241567 132341312 /nfs/dbraw/zinc/34/13/12/132341312.db2.gz GFXGCBCSDAUDPF-UHFFFAOYSA-N 2 2 220.320 1.114 10 0 BDAELP C[C@H]1CN(c2ccc([NH+](C)C)cc2)CC[NH2+]1 ZINC000054348199 132364029 /nfs/dbraw/zinc/36/40/29/132364029.db2.gz QEUXLZUHNVBKQU-NSHDSACASA-N 2 2 219.332 1.551 10 0 BDAELP CC[NH2+]C[C@@H]1CCCN(c2cc[nH+]c(C)n2)C1 ZINC000054937581 132365184 /nfs/dbraw/zinc/36/51/84/132365184.db2.gz VDEMESAQMDQBEC-LBPRGKRZSA-N 2 2 234.347 1.611 10 0 BDAELP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000248447555 135010372 /nfs/dbraw/zinc/01/03/72/135010372.db2.gz XDRVYJYFKIYJGD-WCQYABFASA-N 2 2 237.347 1.691 10 0 BDAELP CO[C@@H](C)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000248447555 135010374 /nfs/dbraw/zinc/01/03/74/135010374.db2.gz XDRVYJYFKIYJGD-WCQYABFASA-N 2 2 237.347 1.691 10 0 BDAELP CCc1nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000261577145 135218496 /nfs/dbraw/zinc/21/84/96/135218496.db2.gz ODODYYIPXBMNEU-PWSUYJOCSA-N 2 2 248.374 1.911 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262948736 135324783 /nfs/dbraw/zinc/32/47/83/135324783.db2.gz JIRFDMZEZFKWNY-GHMZBOCLSA-N 2 2 240.372 1.595 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000262948736 135324785 /nfs/dbraw/zinc/32/47/85/135324785.db2.gz JIRFDMZEZFKWNY-GHMZBOCLSA-N 2 2 240.372 1.595 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CC[NH2+][C@H](C)C1 ZINC000335299211 136007902 /nfs/dbraw/zinc/00/79/02/136007902.db2.gz GFZQLMYYCVBKGH-LLVKDONJSA-N 2 2 222.336 1.258 10 0 BDAELP CC(C)n1cc[nH+]c1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000335305475 136022201 /nfs/dbraw/zinc/02/22/01/136022201.db2.gz WRGSTXKOPZEFSZ-WDEREUQCSA-N 2 2 222.336 1.243 10 0 BDAELP CC(C)C[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)[NH+](C)C ZINC000128921835 398098201 /nfs/dbraw/zinc/09/82/01/398098201.db2.gz YKSBFQYETXTMBS-KBPBESRZSA-N 3 2 241.423 1.694 10 0 BDAELP CC(C)C[NH2+]Cc1nc2c(s1)C[N@H+](C)CC2 ZINC000061799966 167010869 /nfs/dbraw/zinc/01/08/69/167010869.db2.gz KZQVHXJVMLSDKU-UHFFFAOYSA-N 2 2 239.388 1.877 10 0 BDAELP CC(C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C)CC2 ZINC000061799966 167010871 /nfs/dbraw/zinc/01/08/71/167010871.db2.gz KZQVHXJVMLSDKU-UHFFFAOYSA-N 2 2 239.388 1.877 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCO[C@@H](C)C1 ZINC000061916996 167105035 /nfs/dbraw/zinc/10/50/35/167105035.db2.gz LNBIVUIHJJGQFJ-NSHDSACASA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCO[C@@H](C)C1 ZINC000061916996 167105036 /nfs/dbraw/zinc/10/50/36/167105036.db2.gz LNBIVUIHJJGQFJ-NSHDSACASA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)[NH2+]C[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000053031037 167115599 /nfs/dbraw/zinc/11/55/99/167115599.db2.gz ZQXRVKXVOOJHFB-CYBMUJFWSA-N 3 2 239.407 1.401 10 0 BDAELP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000053031037 167115601 /nfs/dbraw/zinc/11/56/01/167115601.db2.gz ZQXRVKXVOOJHFB-CYBMUJFWSA-N 3 2 239.407 1.401 10 0 BDAELP CC(C)OCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000082643377 167234931 /nfs/dbraw/zinc/23/49/31/167234931.db2.gz UCQAQJWVMDLABR-RYUDHWBXSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)OCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000082643377 167234932 /nfs/dbraw/zinc/23/49/32/167234932.db2.gz UCQAQJWVMDLABR-RYUDHWBXSA-N 2 2 214.353 1.471 10 0 BDAELP Cc1nc(N2CCC[C@@H](C)[C@H]2C[NH3+])cc[nH+]1 ZINC000227201743 487613564 /nfs/dbraw/zinc/61/35/64/487613564.db2.gz NQLMTYCOHHHFHY-MWLCHTKSSA-N 2 2 220.320 1.349 10 0 BDAELP C[C@H]1C[N@H+](CC23CC(C2)C[NH2+]3)CCS1 ZINC000634992482 410330866 /nfs/dbraw/zinc/33/08/66/410330866.db2.gz QLWKHVSPOUYCIX-WHXUTIOJSA-N 2 2 212.362 1.176 10 0 BDAELP C[C@H]1C[N@@H+](CC23CC(C2)C[NH2+]3)CCS1 ZINC000634992482 410330871 /nfs/dbraw/zinc/33/08/71/410330871.db2.gz QLWKHVSPOUYCIX-WHXUTIOJSA-N 2 2 212.362 1.176 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000309422731 167105250 /nfs/dbraw/zinc/10/52/50/167105250.db2.gz BFIUVIGVWKEMDZ-ZDUSSCGKSA-N 2 2 226.364 1.487 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000309422731 167105253 /nfs/dbraw/zinc/10/52/53/167105253.db2.gz BFIUVIGVWKEMDZ-ZDUSSCGKSA-N 2 2 226.364 1.487 10 0 BDAELP Cc1cnn(CC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000657352234 411472755 /nfs/dbraw/zinc/47/27/55/411472755.db2.gz GIWWYQLUGBULTR-UHFFFAOYSA-N 2 2 245.330 1.124 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000328352588 170011202 /nfs/dbraw/zinc/01/12/02/170011202.db2.gz NVUWBKPBBKDLBR-WCQYABFASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000328352588 170011203 /nfs/dbraw/zinc/01/12/03/170011203.db2.gz NVUWBKPBBKDLBR-WCQYABFASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000336775993 170038424 /nfs/dbraw/zinc/03/84/24/170038424.db2.gz DHVPLZVDJKQNKJ-RWMBFGLXSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000336775993 170038425 /nfs/dbraw/zinc/03/84/25/170038425.db2.gz DHVPLZVDJKQNKJ-RWMBFGLXSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000309959436 170038581 /nfs/dbraw/zinc/03/85/81/170038581.db2.gz KHIXCOIJICXYGL-RVMXOQNASA-N 2 2 226.364 1.484 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000309959436 170038583 /nfs/dbraw/zinc/03/85/83/170038583.db2.gz KHIXCOIJICXYGL-RVMXOQNASA-N 2 2 226.364 1.484 10 0 BDAELP CC[NH2+]C[C@@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000054937587 170120414 /nfs/dbraw/zinc/12/04/14/170120414.db2.gz RTKBLHXWULESEA-NSHDSACASA-N 2 2 220.320 1.363 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010830 170122574 /nfs/dbraw/zinc/12/25/74/170122574.db2.gz WSHVXFWGUATMMG-CYBMUJFWSA-N 3 2 241.423 1.506 10 0 BDAELP CC[NH2+]C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC000053010830 170122576 /nfs/dbraw/zinc/12/25/76/170122576.db2.gz WSHVXFWGUATMMG-CYBMUJFWSA-N 3 2 241.423 1.506 10 0 BDAELP CC[NH2+]C[C@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000036950736 170123029 /nfs/dbraw/zinc/12/30/29/170123029.db2.gz HWLJEAWHJRCTMR-NSHDSACASA-N 2 2 233.315 1.315 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000049710894 170151165 /nfs/dbraw/zinc/15/11/65/170151165.db2.gz RMCOILBLNHRYKD-CHWSQXEVSA-N 3 2 239.407 1.543 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000049710894 170151166 /nfs/dbraw/zinc/15/11/66/170151166.db2.gz RMCOILBLNHRYKD-CHWSQXEVSA-N 3 2 239.407 1.543 10 0 BDAELP CC[NH2+][C@@H]1CCOC[C@H]1[NH+]1CCCCC1 ZINC000043814392 170152694 /nfs/dbraw/zinc/15/26/94/170152694.db2.gz STOSOBZYMKTUAN-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP CC[NH2+][C@H](C[NH3+])c1cc(F)c(F)c(F)c1 ZINC000062711564 170162424 /nfs/dbraw/zinc/16/24/24/170162424.db2.gz IOFBSRKWXQGENB-SECBINFHSA-N 2 2 218.222 1.713 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@@H+]1CCCOCC1 ZINC000061917860 170165968 /nfs/dbraw/zinc/16/59/68/170165968.db2.gz LLTFYPKGVYQEAF-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@@H]1[N@H+]1CCCOCC1 ZINC000061917860 170165970 /nfs/dbraw/zinc/16/59/70/170165970.db2.gz LLTFYPKGVYQEAF-STQMWFEESA-N 2 2 226.364 1.629 10 0 BDAELP CC[NH2+][C@H]1CCC[C@@H]1N(C)Cc1[nH+]ccn1C ZINC000062251430 170167208 /nfs/dbraw/zinc/16/72/08/170167208.db2.gz CLIRIJAGJNZMTJ-RYUDHWBXSA-N 2 2 236.363 1.383 10 0 BDAELP C[N@@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616594116 411896574 /nfs/dbraw/zinc/89/65/74/411896574.db2.gz ONZHQWVTWFEUSJ-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP C[N@H+]1CCO[C@@H](c2ccc(N)[nH+]c2)CC1 ZINC000616594116 411896577 /nfs/dbraw/zinc/89/65/77/411896577.db2.gz ONZHQWVTWFEUSJ-SNVBAGLBSA-N 2 2 207.277 1.057 10 0 BDAELP CC(C)[N@@H+]1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616613953 411871384 /nfs/dbraw/zinc/87/13/84/411871384.db2.gz WQQWWQKIZJUXGR-NSHDSACASA-N 2 2 205.305 1.862 10 0 BDAELP CC(C)[N@H+]1CC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616613953 411871392 /nfs/dbraw/zinc/87/13/92/411871392.db2.gz WQQWWQKIZJUXGR-NSHDSACASA-N 2 2 205.305 1.862 10 0 BDAELP CC[C@@H]1CCCN1[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037913412 170984601 /nfs/dbraw/zinc/98/46/01/170984601.db2.gz JQDRDRWHIMXZFL-ZIAGYGMSSA-N 2 2 237.391 1.284 10 0 BDAELP CC[C@@H]1C[N@H+](CC2([NH3+])CCCCC2)CCO1 ZINC000036770106 171077663 /nfs/dbraw/zinc/07/76/63/171077663.db2.gz RJSRGEFADVKTPV-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@@H]1C[N@@H+](CC2([NH3+])CCCCC2)CCO1 ZINC000036770106 171077664 /nfs/dbraw/zinc/07/76/64/171077664.db2.gz RJSRGEFADVKTPV-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1C1(C[NH3+])CCSCC1 ZINC000042335098 171105725 /nfs/dbraw/zinc/10/57/25/171105725.db2.gz IYXJMASQZXNJBG-LLVKDONJSA-N 2 2 244.404 1.322 10 0 BDAELP CC[C@@H]1COCC[N@H+]1C1(C[NH3+])CCSCC1 ZINC000042335098 171105726 /nfs/dbraw/zinc/10/57/26/171105726.db2.gz IYXJMASQZXNJBG-LLVKDONJSA-N 2 2 244.404 1.322 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1([NH3+])CCCC1 ZINC000042452153 171110101 /nfs/dbraw/zinc/11/01/01/171110101.db2.gz BINITDQJDBRBDD-NWDGAFQWSA-N 2 2 226.364 1.757 10 0 BDAELP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1([NH3+])CCCC1 ZINC000042452153 171110102 /nfs/dbraw/zinc/11/01/02/171110102.db2.gz BINITDQJDBRBDD-NWDGAFQWSA-N 2 2 226.364 1.757 10 0 BDAELP CC[C@H](C)[C@@H](C[NH3+])[N@@H+]1CCOC(C)(C)C1 ZINC000036232192 171368272 /nfs/dbraw/zinc/36/82/72/171368272.db2.gz XGFRERHMUAHABB-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP CC[C@H](C)[C@@H](C[NH3+])[N@H+]1CCOC(C)(C)C1 ZINC000036232192 171368273 /nfs/dbraw/zinc/36/82/73/171368273.db2.gz XGFRERHMUAHABB-WDEREUQCSA-N 2 2 214.353 1.471 10 0 BDAELP CCn1cc([C@H](C)[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000044500915 172196358 /nfs/dbraw/zinc/19/63/58/172196358.db2.gz IYLZQYIIKOIVSQ-NSHDSACASA-N 2 2 222.336 1.259 10 0 BDAELP CCn1cc([C@H](C)[N@H+]2CCC[NH2+]CC2)cn1 ZINC000044500915 172196360 /nfs/dbraw/zinc/19/63/60/172196360.db2.gz IYLZQYIIKOIVSQ-NSHDSACASA-N 2 2 222.336 1.259 10 0 BDAELP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc[nH]2)CC1 ZINC000095071522 173323819 /nfs/dbraw/zinc/32/38/19/173323819.db2.gz YMOIIXXKYXCATO-JTQLQIEISA-N 2 2 207.321 1.760 10 0 BDAELP C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000051208337 173338082 /nfs/dbraw/zinc/33/80/82/173338082.db2.gz GADGIAULJMXWDX-UHFFFAOYSA-N 2 2 226.364 1.489 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@@H+]1CCOC(C)(C)C1 ZINC000052481705 173362185 /nfs/dbraw/zinc/36/21/85/173362185.db2.gz NGUKVVXSUOFERJ-NSHDSACASA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@@H](C(C)C)[N@H+]1CCOC(C)(C)C1 ZINC000052481705 173362187 /nfs/dbraw/zinc/36/21/87/173362187.db2.gz NGUKVVXSUOFERJ-NSHDSACASA-N 2 2 214.353 1.341 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000040591865 173368266 /nfs/dbraw/zinc/36/82/66/173368266.db2.gz UIIDTAQZXSJCRP-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000040591865 173368267 /nfs/dbraw/zinc/36/82/67/173368267.db2.gz UIIDTAQZXSJCRP-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[NH2+]C[C@@]1(C[N@H+](C)Cc2ccncc2)CCOC1 ZINC000051218222 173373168 /nfs/dbraw/zinc/37/31/68/173373168.db2.gz WQWZQKCAJZJDTR-CQSZACIVSA-N 2 2 249.358 1.140 10 0 BDAELP C[NH2+]C[C@@]1(C[N@@H+](C)Cc2ccncc2)CCOC1 ZINC000051218222 173373169 /nfs/dbraw/zinc/37/31/69/173373169.db2.gz WQWZQKCAJZJDTR-CQSZACIVSA-N 2 2 249.358 1.140 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000049328865 173379140 /nfs/dbraw/zinc/37/91/40/173379140.db2.gz QTMQGLHERVDOEL-CYBMUJFWSA-N 3 2 236.363 1.205 10 0 BDAELP COC1CC[NH+]([C@@H](C[NH3+])c2cccs2)CC1 ZINC000037266007 174029922 /nfs/dbraw/zinc/02/99/22/174029922.db2.gz AMMKDUIFJKJLBN-NSHDSACASA-N 2 2 240.372 1.859 10 0 BDAELP COCC[N@H+](C)[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000049670543 174282701 /nfs/dbraw/zinc/28/27/01/174282701.db2.gz ILSQESOBDXIKFD-AWEZNQCLSA-N 2 2 236.359 1.881 10 0 BDAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1cc(C)ccc1C ZINC000049670543 174282704 /nfs/dbraw/zinc/28/27/04/174282704.db2.gz ILSQESOBDXIKFD-AWEZNQCLSA-N 2 2 236.359 1.881 10 0 BDAELP COCC[N@H+](C)[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966997 174282915 /nfs/dbraw/zinc/28/29/15/174282915.db2.gz GSCQXZZOGRFDJA-GXTWGEPZSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1cccc(C)c1)[C@H](C)[NH3+] ZINC000042966997 174282917 /nfs/dbraw/zinc/28/29/17/174282917.db2.gz GSCQXZZOGRFDJA-GXTWGEPZSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178293580 174307177 /nfs/dbraw/zinc/30/71/77/174307177.db2.gz WCQRXZXNUQWHFR-GFCCVEGCSA-N 2 2 223.320 1.302 10 0 BDAELP COCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178293580 174307178 /nfs/dbraw/zinc/30/71/78/174307178.db2.gz WCQRXZXNUQWHFR-GFCCVEGCSA-N 2 2 223.320 1.302 10 0 BDAELP COCC[NH2+]CCC[N@H+](C)Cc1ccncc1 ZINC000053499205 174332138 /nfs/dbraw/zinc/33/21/38/174332138.db2.gz GWRUDMMEPXLHGK-UHFFFAOYSA-N 2 2 237.347 1.140 10 0 BDAELP COCC[NH2+]CCC[N@@H+](C)Cc1ccncc1 ZINC000053499205 174332140 /nfs/dbraw/zinc/33/21/40/174332140.db2.gz GWRUDMMEPXLHGK-UHFFFAOYSA-N 2 2 237.347 1.140 10 0 BDAELP COc1ccc(OC)c(C[C@@H](C[NH3+])[NH+](C)C)c1 ZINC000041280504 175166547 /nfs/dbraw/zinc/16/65/47/175166547.db2.gz QSIUVUUKTDZPDG-NSHDSACASA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc([C@@H]([NH3+])C[NH3+])c2ccccc12 ZINC000044469133 175179933 /nfs/dbraw/zinc/17/99/33/175179933.db2.gz MMZIAMBOTSFTCK-LBPRGKRZSA-N 2 2 216.284 1.807 10 0 BDAELP COc1ccc([C@@H]([C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000042960475 175182042 /nfs/dbraw/zinc/18/20/42/175182042.db2.gz LDYNNRVMIGQPSS-JOYOIKCWSA-N 2 2 208.305 1.645 10 0 BDAELP COc1ccc2[nH+]cn(C3CC[NH2+]CC3)c2c1 ZINC000044135700 175230465 /nfs/dbraw/zinc/23/04/65/175230465.db2.gz URKUXGFIOXGKJX-UHFFFAOYSA-N 2 2 231.299 1.969 10 0 BDAELP COc1cccc(CC[N@H+](C)CC[NH3+])c1 ZINC000049814320 175252072 /nfs/dbraw/zinc/25/20/72/175252072.db2.gz VLGJWHAGKIAVCU-UHFFFAOYSA-N 2 2 208.305 1.128 10 0 BDAELP COc1cccc(CC[N@@H+](C)CC[NH3+])c1 ZINC000049814320 175252073 /nfs/dbraw/zinc/25/20/73/175252073.db2.gz VLGJWHAGKIAVCU-UHFFFAOYSA-N 2 2 208.305 1.128 10 0 BDAELP COc1cccc([C@@H](C[NH3+])[NH2+]C(C)C)c1OC ZINC000050270855 175287447 /nfs/dbraw/zinc/28/74/47/175287447.db2.gz VCJODOQNZSITSE-LLVKDONJSA-N 2 2 238.331 1.702 10 0 BDAELP COc1cccc([C@H]2[C@H]([NH3+])CC[N@@H+]2C2CC2)c1 ZINC000070299716 175296444 /nfs/dbraw/zinc/29/64/44/175296444.db2.gz LNCNFGRZOJOWPW-KGLIPLIRSA-N 2 2 232.327 1.932 10 0 BDAELP COc1cccc([C@H]2[C@H]([NH3+])CC[N@H+]2C2CC2)c1 ZINC000070299716 175296445 /nfs/dbraw/zinc/29/64/45/175296445.db2.gz LNCNFGRZOJOWPW-KGLIPLIRSA-N 2 2 232.327 1.932 10 0 BDAELP C[C@@H]([NH3+])[C@@H](C)Nc1[nH+]c2ccccc2n1C ZINC000335898814 175808390 /nfs/dbraw/zinc/80/83/90/175808390.db2.gz XAKSVTPTAMCTBI-RKDXNWHRSA-N 2 2 218.304 1.143 10 0 BDAELP C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)n1cc[nH+]c1 ZINC000042973144 175810793 /nfs/dbraw/zinc/81/07/93/175810793.db2.gz STORPDQTEUKNOY-SKDRFNHKSA-N 2 2 219.263 1.959 10 0 BDAELP C[C@@H](c1nccs1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256862 176039726 /nfs/dbraw/zinc/03/97/26/176039726.db2.gz VNCJIMQMOZVXLJ-UWVGGRQHSA-N 2 2 225.361 1.875 10 0 BDAELP C[C@@H](c1nccs1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000100256862 176039727 /nfs/dbraw/zinc/03/97/27/176039727.db2.gz VNCJIMQMOZVXLJ-UWVGGRQHSA-N 2 2 225.361 1.875 10 0 BDAELP C[C@@H]1CC[N@H+](CCc2ccccn2)CC[NH2+]1 ZINC000049662122 176171356 /nfs/dbraw/zinc/17/13/56/176171356.db2.gz AXAIKFGZTZMCIR-GFCCVEGCSA-N 2 2 219.332 1.308 10 0 BDAELP C[C@@H]1CC[N@@H+](CCc2ccccn2)CC[NH2+]1 ZINC000049662122 176171357 /nfs/dbraw/zinc/17/13/57/176171357.db2.gz AXAIKFGZTZMCIR-GFCCVEGCSA-N 2 2 219.332 1.308 10 0 BDAELP C[C@@H]1C[N@@H+](C(C)(C)C[NH3+])CC(C)(C)O1 ZINC000045664790 176265862 /nfs/dbraw/zinc/26/58/62/176265862.db2.gz URWRYQOPZALLJZ-SECBINFHSA-N 2 2 200.326 1.223 10 0 BDAELP C[C@@H]1C[N@H+](C(C)(C)C[NH3+])CC(C)(C)O1 ZINC000045664790 176265863 /nfs/dbraw/zinc/26/58/63/176265863.db2.gz URWRYQOPZALLJZ-SECBINFHSA-N 2 2 200.326 1.223 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561787 176277265 /nfs/dbraw/zinc/27/72/65/176277265.db2.gz BZDAPBXJNLWRRT-VXNVDRBHSA-N 2 2 204.264 1.324 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000306561787 176277267 /nfs/dbraw/zinc/27/72/67/176277267.db2.gz BZDAPBXJNLWRRT-VXNVDRBHSA-N 2 2 204.264 1.324 10 0 BDAELP C[C@@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000061936541 176315250 /nfs/dbraw/zinc/31/52/50/176315250.db2.gz URBWNWMABYPIFR-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)CCCO1 ZINC000061936541 176315251 /nfs/dbraw/zinc/31/52/51/176315251.db2.gz URBWNWMABYPIFR-VXGBXAGGSA-N 2 2 212.337 1.239 10 0 BDAELP C[C@H](c1ccc2c(c1)OCCO2)[N@H+](C)CC[NH3+] ZINC000054416684 177035939 /nfs/dbraw/zinc/03/59/39/177035939.db2.gz RCXAIQXQAPQCPM-SNVBAGLBSA-N 2 2 236.315 1.409 10 0 BDAELP C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)CC[NH3+] ZINC000054416684 177035940 /nfs/dbraw/zinc/03/59/40/177035940.db2.gz RCXAIQXQAPQCPM-SNVBAGLBSA-N 2 2 236.315 1.409 10 0 BDAELP C[C@H]1CC[N@H+](CCOC2CCCC2)CC[NH2+]1 ZINC000082627839 177161102 /nfs/dbraw/zinc/16/11/02/177161102.db2.gz FWCPXKOXKSKKBH-LBPRGKRZSA-N 2 2 226.364 1.629 10 0 BDAELP C[C@H]1CC[N@@H+](CCOC2CCCC2)CC[NH2+]1 ZINC000082627839 177161103 /nfs/dbraw/zinc/16/11/03/177161103.db2.gz FWCPXKOXKSKKBH-LBPRGKRZSA-N 2 2 226.364 1.629 10 0 BDAELP C[C@H]1COCC[N@@H+]1C1(C[NH3+])CCCCC1 ZINC000035774950 177291400 /nfs/dbraw/zinc/29/14/00/177291400.db2.gz LIXPLRADKHSHHM-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP C[C@H]1COCC[N@H+]1C1(C[NH3+])CCCCC1 ZINC000035774950 177291402 /nfs/dbraw/zinc/29/14/02/177291402.db2.gz LIXPLRADKHSHHM-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000397524395 262926663 /nfs/dbraw/zinc/92/66/63/262926663.db2.gz MNTJQNDGJJCCOR-WCQYABFASA-N 2 2 247.342 1.189 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400591210 529081891 /nfs/dbraw/zinc/08/18/91/529081891.db2.gz UJRHMRDPKHDCKR-FRRDWIJNSA-N 3 2 225.380 1.058 10 0 BDAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000400591210 529081893 /nfs/dbraw/zinc/08/18/93/529081893.db2.gz UJRHMRDPKHDCKR-FRRDWIJNSA-N 3 2 225.380 1.058 10 0 BDAELP Cc1cncc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235326133 487943097 /nfs/dbraw/zinc/94/30/97/487943097.db2.gz XIZKWSCYUIOJBY-PWSUYJOCSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cncc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235326133 487943099 /nfs/dbraw/zinc/94/30/99/487943099.db2.gz XIZKWSCYUIOJBY-PWSUYJOCSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cc(C)cc(OCC[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235367340 487945593 /nfs/dbraw/zinc/94/55/93/487945593.db2.gz LRCYZSDRMSVZTP-HIFRSBDPSA-N 2 2 248.370 1.961 10 0 BDAELP Cc1cc(C)cc(OCC[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000235367340 487945598 /nfs/dbraw/zinc/94/55/98/487945598.db2.gz LRCYZSDRMSVZTP-HIFRSBDPSA-N 2 2 248.370 1.961 10 0 BDAELP COc1ccccc1OCC[NH2+][C@H]1CC[NH2+]C1 ZINC000562958742 323035221 /nfs/dbraw/zinc/03/52/21/323035221.db2.gz QUOSUWGYMAPFIA-NSHDSACASA-N 2 2 236.315 1.026 10 0 BDAELP C[C@H]1CC[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000399303306 323203474 /nfs/dbraw/zinc/20/34/74/323203474.db2.gz XZWCEWHHJCOVRZ-RYUDHWBXSA-N 2 2 223.320 1.118 10 0 BDAELP C[C@H]1CC[C@H](O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000399303306 323203475 /nfs/dbraw/zinc/20/34/75/323203475.db2.gz XZWCEWHHJCOVRZ-RYUDHWBXSA-N 2 2 223.320 1.118 10 0 BDAELP Cc1cc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc[nH+]1 ZINC000092349853 488090741 /nfs/dbraw/zinc/09/07/41/488090741.db2.gz VHNJOXBGHGKFDY-PWSUYJOCSA-N 2 2 233.315 1.704 10 0 BDAELP Cc1nnsc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000309734309 487479321 /nfs/dbraw/zinc/47/93/21/487479321.db2.gz FZVKELAEXKKMJX-JTQLQIEISA-N 2 2 240.376 1.420 10 0 BDAELP Cc1nnsc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000309734309 487479326 /nfs/dbraw/zinc/47/93/26/487479326.db2.gz FZVKELAEXKKMJX-JTQLQIEISA-N 2 2 240.376 1.420 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2ccncc2)c[nH+]1 ZINC000136081249 491052702 /nfs/dbraw/zinc/05/27/02/491052702.db2.gz CYLZAONULACFCE-CQSZACIVSA-N 2 2 242.326 1.943 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2Cc2ccncc2)c[nH+]1 ZINC000136081249 491052703 /nfs/dbraw/zinc/05/27/03/491052703.db2.gz CYLZAONULACFCE-CQSZACIVSA-N 2 2 242.326 1.943 10 0 BDAELP CCC(CC)C[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000310034848 491159756 /nfs/dbraw/zinc/15/97/56/491159756.db2.gz SQSKUHSHBQRREH-ZDUSSCGKSA-N 2 2 228.380 1.469 10 0 BDAELP CCC(CC)C[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000310034848 491159757 /nfs/dbraw/zinc/15/97/57/491159757.db2.gz SQSKUHSHBQRREH-ZDUSSCGKSA-N 2 2 228.380 1.469 10 0 BDAELP CC(C)[C@H]1[NH2+][C@@]2(CC[NH2+]C2)OCC1(C)C ZINC000757143693 582524303 /nfs/dbraw/zinc/52/43/03/582524303.db2.gz DZEGVSNGRNJFEN-PWSUYJOCSA-N 2 2 212.337 1.347 10 0 BDAELP CC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331094 535983728 /nfs/dbraw/zinc/98/37/28/535983728.db2.gz UAWRLEGHAPFLPF-OLZOCXBDSA-N 2 2 237.347 1.427 10 0 BDAELP CC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178331094 535983732 /nfs/dbraw/zinc/98/37/32/535983732.db2.gz UAWRLEGHAPFLPF-OLZOCXBDSA-N 2 2 237.347 1.427 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]CC[C@@H](C)[C@H]2[NH3+])c1 ZINC000757209827 582560037 /nfs/dbraw/zinc/56/00/37/582560037.db2.gz DBGXRVRFCXUMTL-FZQKWOKYSA-N 2 2 232.327 1.887 10 0 BDAELP CC(=O)c1cccc([C@@H]2[NH2+]CC[C@H](C)[C@H]2[NH3+])c1 ZINC000757209836 582560277 /nfs/dbraw/zinc/56/02/77/582560277.db2.gz DBGXRVRFCXUMTL-FZZIBODNSA-N 2 2 232.327 1.887 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cccc(N)c2)[C@H]1[NH3+] ZINC000757218021 582562535 /nfs/dbraw/zinc/56/25/35/582562535.db2.gz USJVXNGEEJYDDB-JFUSQASVSA-N 2 2 205.305 1.267 10 0 BDAELP C[C@@H](F)C[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129042 586426152 /nfs/dbraw/zinc/42/61/52/586426152.db2.gz KQDDLNSMCGTOFI-YPMHNXCESA-N 2 2 226.339 1.905 10 0 BDAELP C[C@@H](F)C[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129042 586426154 /nfs/dbraw/zinc/42/61/54/586426154.db2.gz KQDDLNSMCGTOFI-YPMHNXCESA-N 2 2 226.339 1.905 10 0 BDAELP C[C@@H]1CC[NH2+][C@H](c2cccc(C=O)c2)[C@H]1[NH3+] ZINC000757207902 586437761 /nfs/dbraw/zinc/43/77/61/586437761.db2.gz BZHQVRBGQQKYKQ-JIMOISOXSA-N 2 2 218.300 1.497 10 0 BDAELP [NH3+][C@H]1CCC[NH2+][C@H]1c1cccc(C=O)c1 ZINC000757213445 586439811 /nfs/dbraw/zinc/43/98/11/586439811.db2.gz KFLYDZYUGRYZNT-RYUDHWBXSA-N 2 2 204.273 1.251 10 0 BDAELP C[C@@H]1C[C@H](c2cccc(C=O)c2)[NH2+]C[C@H]1[NH3+] ZINC000757217210 586441148 /nfs/dbraw/zinc/44/11/48/586441148.db2.gz RIFOAGZGZQTXEI-OASPWFOLSA-N 2 2 218.300 1.497 10 0 BDAELP C[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161091 591267205 /nfs/dbraw/zinc/26/72/05/591267205.db2.gz CWAMDSHSKZRHIR-UONOGXRCSA-N 3 2 239.407 1.593 10 0 BDAELP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccccn1 ZINC000399046155 635207091 /nfs/dbraw/zinc/20/70/91/635207091.db2.gz UQTVETTWUSVCHO-GFCCVEGCSA-N 2 2 249.358 1.189 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250820555 643376165 /nfs/dbraw/zinc/37/61/65/643376165.db2.gz RVVLAKYTNMYFKE-AGIUHOORSA-N 2 2 202.301 1.576 10 0 BDAELP [NH3+][C@@H]1CC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000250820555 643376170 /nfs/dbraw/zinc/37/61/70/643376170.db2.gz RVVLAKYTNMYFKE-AGIUHOORSA-N 2 2 202.301 1.576 10 0 BDAELP C[C@H]1[C@H]([NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC000719576775 712812087 /nfs/dbraw/zinc/81/20/87/712812087.db2.gz BNXHRSOMALOOEB-GXTWGEPZSA-N 2 2 218.344 1.911 10 0 BDAELP C[C@H]1[C@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000719576775 712812088 /nfs/dbraw/zinc/81/20/88/712812088.db2.gz BNXHRSOMALOOEB-GXTWGEPZSA-N 2 2 218.344 1.911 10 0 BDAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nccn3C3CC3)C[C@@H]12 ZINC000711804084 712331985 /nfs/dbraw/zinc/33/19/85/712331985.db2.gz HUMYXPMPVCTKGI-CYZMBNFOSA-N 2 2 246.358 1.387 10 0 BDAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nccn3C3CC3)C[C@@H]12 ZINC000711804084 712331986 /nfs/dbraw/zinc/33/19/86/712331986.db2.gz HUMYXPMPVCTKGI-CYZMBNFOSA-N 2 2 246.358 1.387 10 0 BDAELP CC1(C)C[N@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]2CCC[C@@H]21 ZINC000378847255 712366412 /nfs/dbraw/zinc/36/64/12/712366412.db2.gz TWBZGUINICVAFV-RWMBFGLXSA-N 2 2 238.375 1.485 10 0 BDAELP CC1(C)C[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]2CCC[C@@H]21 ZINC000378847255 712366413 /nfs/dbraw/zinc/36/64/13/712366413.db2.gz TWBZGUINICVAFV-RWMBFGLXSA-N 2 2 238.375 1.485 10 0 BDAELP C([NH2+][C@H]1CC[NH2+]C1)[C@@H]1CCC2(CCC2)CO1 ZINC000716592494 712564548 /nfs/dbraw/zinc/56/45/48/712564548.db2.gz FDXVQLVZPFQXMK-RYUDHWBXSA-N 2 2 224.348 1.287 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788226 712865175 /nfs/dbraw/zinc/86/51/75/712865175.db2.gz IUZIJSBIPIDZJG-CYDGBPFRSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720788226 712865177 /nfs/dbraw/zinc/86/51/77/712865177.db2.gz IUZIJSBIPIDZJG-CYDGBPFRSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(F)(F)F ZINC000720873861 712873515 /nfs/dbraw/zinc/87/35/15/712873515.db2.gz WSXQHPUXTQMZFY-IUCAKERBSA-N 2 2 245.248 1.655 10 0 BDAELP CC(C)[NH2+]CC(F)(F)Cn1cc[nH+]c1 ZINC000685956764 538903372 /nfs/dbraw/zinc/90/33/72/538903372.db2.gz JDTITMSGXDTXOZ-UHFFFAOYSA-N 2 2 203.236 1.516 10 0 BDAELP CC(C)C[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@@H+]2C ZINC000685952721 538896645 /nfs/dbraw/zinc/89/66/45/538896645.db2.gz COJKWCLWBRGOEA-GFCCVEGCSA-N 3 2 225.380 1.140 10 0 BDAELP CC(C)C[NH+]1CCC2(CC1)[C@H]([NH3+])CC[N@H+]2C ZINC000685952721 538896646 /nfs/dbraw/zinc/89/66/46/538896646.db2.gz COJKWCLWBRGOEA-GFCCVEGCSA-N 3 2 225.380 1.140 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000035783521 168322429 /nfs/dbraw/zinc/32/24/29/168322429.db2.gz VXHJPNUTGAFSFD-WDEREUQCSA-N 2 2 214.353 1.613 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000035783521 168322431 /nfs/dbraw/zinc/32/24/31/168322431.db2.gz VXHJPNUTGAFSFD-WDEREUQCSA-N 2 2 214.353 1.613 10 0 BDAELP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)n1C ZINC000052790424 178034258 /nfs/dbraw/zinc/03/42/58/178034258.db2.gz MOKMMNNTTIJTAW-CQSZACIVSA-N 2 2 235.375 1.826 10 0 BDAELP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)n1C ZINC000052790424 178034259 /nfs/dbraw/zinc/03/42/59/178034259.db2.gz MOKMMNNTTIJTAW-CQSZACIVSA-N 2 2 235.375 1.826 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cccc3cccnc32)C1 ZINC000616612352 349516617 /nfs/dbraw/zinc/51/66/17/349516617.db2.gz SOJKUMPBEIZOPV-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cccc3cccnc32)C1 ZINC000616612352 349516621 /nfs/dbraw/zinc/51/66/21/349516621.db2.gz SOJKUMPBEIZOPV-CYBMUJFWSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2ccccc2F)C1 ZINC000616621941 398207211 /nfs/dbraw/zinc/20/72/11/398207211.db2.gz VWKCCCTTXDKXRE-NSHDSACASA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2ccccc2F)C1 ZINC000616621941 398207213 /nfs/dbraw/zinc/20/72/13/398207213.db2.gz VWKCCCTTXDKXRE-NSHDSACASA-N 2 2 222.307 1.964 10 0 BDAELP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CC[N@H+](CC)C1)OC ZINC000381294749 398250120 /nfs/dbraw/zinc/25/01/20/398250120.db2.gz OVQYQPARFKFLIS-YNEHKIRRSA-N 2 2 228.380 1.731 10 0 BDAELP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC)C1)OC ZINC000381294749 398250124 /nfs/dbraw/zinc/25/01/24/398250124.db2.gz OVQYQPARFKFLIS-YNEHKIRRSA-N 2 2 228.380 1.731 10 0 BDAELP Cc1cc2[nH+]cn([C@@H]3C[NH2+]C[C@@H]3O)c2cc1C ZINC000104253783 178306279 /nfs/dbraw/zinc/30/62/79/178306279.db2.gz HLUYWWGNOZFOCE-OLZOCXBDSA-N 2 2 231.299 1.158 10 0 BDAELP Cc1ccc(-n2c[nH+]cc2CC[NH3+])cc1 ZINC000076638187 178347371 /nfs/dbraw/zinc/34/73/71/178347371.db2.gz DUVQCABVAPRLIY-UHFFFAOYSA-N 2 2 201.273 1.682 10 0 BDAELP CNc1cccc([C@H]2CC[N@H+](CC[NH3+])C2)c1 ZINC000616612787 349580516 /nfs/dbraw/zinc/58/05/16/349580516.db2.gz SBMHCLYLMMTJAH-LBPRGKRZSA-N 2 2 219.332 1.476 10 0 BDAELP CNc1cccc([C@H]2CC[N@@H+](CC[NH3+])C2)c1 ZINC000616612787 349580518 /nfs/dbraw/zinc/58/05/18/349580518.db2.gz SBMHCLYLMMTJAH-LBPRGKRZSA-N 2 2 219.332 1.476 10 0 BDAELP CO[C@@H]1C[NH2+][C@H](C[N@H+](C)C2CCCCC2)C1 ZINC000040637378 538972267 /nfs/dbraw/zinc/97/22/67/538972267.db2.gz UNNCVJNLCGWXAB-AAEUAGOBSA-N 2 2 226.364 1.628 10 0 BDAELP CO[C@@H]1C[NH2+][C@H](C[N@@H+](C)C2CCCCC2)C1 ZINC000040637378 538972269 /nfs/dbraw/zinc/97/22/69/538972269.db2.gz UNNCVJNLCGWXAB-AAEUAGOBSA-N 2 2 226.364 1.628 10 0 BDAELP COc1ccc[nH+]c1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382447793 361936755 /nfs/dbraw/zinc/93/67/55/361936755.db2.gz BTCHRSPILQXBHN-UWVGGRQHSA-N 2 2 221.304 1.630 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@H](C)CCCOC)[C@@H](C)C1 ZINC000390505596 539022777 /nfs/dbraw/zinc/02/27/77/539022777.db2.gz WTYFIZSWNQHWMK-XQQFMLRXSA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CCCOC)[C@@H](C)C1 ZINC000390505596 539022779 /nfs/dbraw/zinc/02/27/79/539022779.db2.gz WTYFIZSWNQHWMK-XQQFMLRXSA-N 2 2 228.380 1.731 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1CCOCC1(C)C ZINC000042463159 362001996 /nfs/dbraw/zinc/00/19/96/362001996.db2.gz VBRYXCSUCRPWIW-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1CCOCC1(C)C ZINC000042463159 362002002 /nfs/dbraw/zinc/00/20/02/362002002.db2.gz VBRYXCSUCRPWIW-SNVBAGLBSA-N 2 2 200.326 1.081 10 0 BDAELP COc1ccc[nH+]c1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000383429305 362023859 /nfs/dbraw/zinc/02/38/59/362023859.db2.gz BRJHQRKTBHYNBD-HBNTYKKESA-N 2 2 233.315 1.264 10 0 BDAELP C[NH+]1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883892 343086981 /nfs/dbraw/zinc/08/69/81/343086981.db2.gz WAOZMQZYORNMIF-UHFFFAOYSA-N 2 2 222.357 1.815 10 0 BDAELP C[NH+](C)Cc1nc(C2([NH3+])CCC2)cs1 ZINC000165433443 343331851 /nfs/dbraw/zinc/33/18/51/343331851.db2.gz AHLRGNITQSIOJS-UHFFFAOYSA-N 2 2 211.334 1.543 10 0 BDAELP Cc1nccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000054790680 136373132 /nfs/dbraw/zinc/37/31/32/136373132.db2.gz IGRIPMIBWQGTCO-GFCCVEGCSA-N 2 2 246.358 1.359 10 0 BDAELP Cc1nccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000054790680 136373133 /nfs/dbraw/zinc/37/31/33/136373133.db2.gz IGRIPMIBWQGTCO-GFCCVEGCSA-N 2 2 246.358 1.359 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](C1CC1)CC2 ZINC000712083520 537783985 /nfs/dbraw/zinc/78/39/85/537783985.db2.gz DIQWCIRBAUITKB-ZDUSSCGKSA-N 3 2 237.391 1.426 10 0 BDAELP CCC[N@@H+]1CC[C@H]([NH3+])C12CC[NH+](CCC)CC2 ZINC000712058220 537784352 /nfs/dbraw/zinc/78/43/52/537784352.db2.gz MOJMTNWJAADHAV-ZDUSSCGKSA-N 3 2 239.407 1.674 10 0 BDAELP CCC[N@H+]1CC[C@H]([NH3+])C12CC[NH+](CCC)CC2 ZINC000712058220 537784358 /nfs/dbraw/zinc/78/43/58/537784358.db2.gz MOJMTNWJAADHAV-ZDUSSCGKSA-N 3 2 239.407 1.674 10 0 BDAELP CCCC[C@@H](C[NH3+])Nc1cc(C)[nH+]cn1 ZINC000087780235 343660605 /nfs/dbraw/zinc/66/06/05/343660605.db2.gz OFHPBJQJWMCJAV-JTQLQIEISA-N 2 2 208.309 1.714 10 0 BDAELP CN(c1ccc(N)c[nH+]1)C1CC[NH+](C)CC1 ZINC000011568733 343771748 /nfs/dbraw/zinc/77/17/48/343771748.db2.gz NXHVNCXFBLAXKY-UHFFFAOYSA-N 2 2 220.320 1.194 10 0 BDAELP CC[N@H+](CC(=[NH2+])NO)C1CCSCC1 ZINC000409427786 343801579 /nfs/dbraw/zinc/80/15/79/343801579.db2.gz FKUJLLAMPFNTOE-UHFFFAOYSA-N 2 2 217.338 1.160 10 0 BDAELP CC[N@@H+](CC(=[NH2+])NO)C1CCSCC1 ZINC000409427786 343801582 /nfs/dbraw/zinc/80/15/82/343801582.db2.gz FKUJLLAMPFNTOE-UHFFFAOYSA-N 2 2 217.338 1.160 10 0 BDAELP CCOC[C@]1(C(F)(F)F)CC[N@H+](CC[NH3+])C1 ZINC000409435575 343834355 /nfs/dbraw/zinc/83/43/55/343834355.db2.gz VLMVHKFZILOEEA-VIFPVBQESA-N 2 2 240.269 1.236 10 0 BDAELP CCOC[C@]1(C(F)(F)F)CC[N@@H+](CC[NH3+])C1 ZINC000409435575 343834357 /nfs/dbraw/zinc/83/43/57/343834357.db2.gz VLMVHKFZILOEEA-VIFPVBQESA-N 2 2 240.269 1.236 10 0 BDAELP CC(C)=C[C@@H]([NH3+])[C@H]1CSCC[N@H+]1C ZINC000234326610 343941681 /nfs/dbraw/zinc/94/16/81/343941681.db2.gz LPBWCXJZKIVLCD-NXEZZACHSA-N 2 2 200.351 1.327 10 0 BDAELP CC(C)=C[C@@H]([NH3+])[C@H]1CSCC[N@@H+]1C ZINC000234326610 343941683 /nfs/dbraw/zinc/94/16/83/343941683.db2.gz LPBWCXJZKIVLCD-NXEZZACHSA-N 2 2 200.351 1.327 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC000220772027 344581206 /nfs/dbraw/zinc/58/12/06/344581206.db2.gz PFCAQOCCFCFEBA-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+]([C@@H]2CCCSC2)C1 ZINC000220772027 344581209 /nfs/dbraw/zinc/58/12/09/344581209.db2.gz PFCAQOCCFCFEBA-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[N@H+]([C@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000221120009 344678842 /nfs/dbraw/zinc/67/88/42/344678842.db2.gz HYAQEMZWGSOUSM-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP C[N@@H+]([C@H]1CCSC1)[C@@H]1CCC[NH2+]C1 ZINC000221120009 344678844 /nfs/dbraw/zinc/67/88/44/344678844.db2.gz HYAQEMZWGSOUSM-ZJUUUORDSA-N 2 2 200.351 1.176 10 0 BDAELP Cc1[nH]c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)[nH+]c1C ZINC000628176160 344900468 /nfs/dbraw/zinc/90/04/68/344900468.db2.gz YNXBOFOLVJRIJF-GWCFXTLKSA-N 2 2 248.374 1.695 10 0 BDAELP Cc1[nH]c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)[nH+]c1C ZINC000628176160 344900469 /nfs/dbraw/zinc/90/04/69/344900469.db2.gz YNXBOFOLVJRIJF-GWCFXTLKSA-N 2 2 248.374 1.695 10 0 BDAELP c1sc(C[NH2+]CC2CC2)nc1C[NH+]1CCC1 ZINC000667594195 537884159 /nfs/dbraw/zinc/88/41/59/537884159.db2.gz JJUBSRVBASKCRG-UHFFFAOYSA-N 2 2 237.372 1.848 10 0 BDAELP COCC[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000044412983 345058566 /nfs/dbraw/zinc/05/85/66/345058566.db2.gz PQGGGKHLFXUZEI-UHFFFAOYSA-N 2 2 222.332 1.354 10 0 BDAELP COCC[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000044412983 345058569 /nfs/dbraw/zinc/05/85/69/345058569.db2.gz PQGGGKHLFXUZEI-UHFFFAOYSA-N 2 2 222.332 1.354 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000044472537 345090836 /nfs/dbraw/zinc/09/08/36/345090836.db2.gz SHBWPHXRZZXSQE-YFKPBYRVSA-N 2 2 206.076 1.347 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC000132418647 345330214 /nfs/dbraw/zinc/33/02/14/345330214.db2.gz VKYNELDQTNXFGW-VWYCJHECSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC000132418647 345330218 /nfs/dbraw/zinc/33/02/18/345330218.db2.gz VKYNELDQTNXFGW-VWYCJHECSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1CCc2[nH+]c([C@@H]3CCC[NH2+]C3)cn2C1 ZINC000258230871 345780583 /nfs/dbraw/zinc/78/05/83/345780583.db2.gz GXITXCLQXGHBAP-GHMZBOCLSA-N 2 2 219.332 1.932 10 0 BDAELP c1cc(N2CCCC2)[nH+]c(N2CC[NH2+]CC2)c1 ZINC000034337348 345821608 /nfs/dbraw/zinc/82/16/08/345821608.db2.gz DIWRAZZTEGULJF-UHFFFAOYSA-N 2 2 232.331 1.091 10 0 BDAELP C[NH+]1CCC(c2c[nH]c3c[nH+]c(N)cc32)CC1 ZINC000034591557 345834402 /nfs/dbraw/zinc/83/44/02/345834402.db2.gz FLBIGRMUUJTBQQ-UHFFFAOYSA-N 2 2 230.315 1.954 10 0 BDAELP CCC(F)(F)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000641798946 362747330 /nfs/dbraw/zinc/74/73/30/362747330.db2.gz RDTFOUKGDXPLBE-GUBZILKMSA-N 2 2 218.291 1.701 10 0 BDAELP CCC(F)(F)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000641798946 362747336 /nfs/dbraw/zinc/74/73/36/362747336.db2.gz RDTFOUKGDXPLBE-GUBZILKMSA-N 2 2 218.291 1.701 10 0 BDAELP COc1ccc[nH+]c1NCCC1(C[NH3+])CC1 ZINC000395905743 362801620 /nfs/dbraw/zinc/80/16/20/362801620.db2.gz LFEIANLZTCXSJS-UHFFFAOYSA-N 2 2 221.304 1.631 10 0 BDAELP Cc1cnccc1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396601310 362825485 /nfs/dbraw/zinc/82/54/85/362825485.db2.gz XKDPUVYVURKYHG-WCQYABFASA-N 2 2 219.332 1.620 10 0 BDAELP CC[N@@H+]1CCO[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000219538340 490223402 /nfs/dbraw/zinc/22/34/02/490223402.db2.gz XOJOFQFACWKUOL-ZIAGYGMSSA-N 2 2 238.375 1.653 10 0 BDAELP CC[N@H+]1CCO[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000219538340 490223412 /nfs/dbraw/zinc/22/34/12/490223412.db2.gz XOJOFQFACWKUOL-ZIAGYGMSSA-N 2 2 238.375 1.653 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160723693 349313340 /nfs/dbraw/zinc/31/33/40/349313340.db2.gz DBFVJXTXONINMO-KGLIPLIRSA-N 2 2 240.391 1.611 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160723693 349313341 /nfs/dbraw/zinc/31/33/41/349313341.db2.gz DBFVJXTXONINMO-KGLIPLIRSA-N 2 2 240.391 1.611 10 0 BDAELP CCOc1cc(C)[nH+]c(N2CC[NH2+]CC2)c1 ZINC000217865730 350075608 /nfs/dbraw/zinc/07/56/08/350075608.db2.gz FSNPNWIURAHVMX-UHFFFAOYSA-N 2 2 221.304 1.198 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CSC2)C1 ZINC000307319028 490343854 /nfs/dbraw/zinc/34/38/54/490343854.db2.gz MYBYQALXHASISD-SCZZXKLOSA-N 2 2 200.351 1.032 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CSC2)C1 ZINC000307319028 490343857 /nfs/dbraw/zinc/34/38/57/490343857.db2.gz MYBYQALXHASISD-SCZZXKLOSA-N 2 2 200.351 1.032 10 0 BDAELP Cc1nc(N[C@H]2c3ccccc3C[C@H]2[NH3+])cc[nH+]1 ZINC000104322565 180208111 /nfs/dbraw/zinc/20/81/11/180208111.db2.gz YVXWSOATTJLVDC-OCCSQVGLSA-N 2 2 240.310 1.822 10 0 BDAELP Cc1nccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000044994827 180186721 /nfs/dbraw/zinc/18/67/21/180186721.db2.gz KHJGEUYPYPMNQX-ONGXEEELSA-N 2 2 220.320 1.097 10 0 BDAELP Cc1nccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)n1 ZINC000044994827 180186722 /nfs/dbraw/zinc/18/67/22/180186722.db2.gz KHJGEUYPYPMNQX-ONGXEEELSA-N 2 2 220.320 1.097 10 0 BDAELP Cc1[nH+]ccn1CC[NH2+]CC[NH+]1CCCCC1 ZINC000049575119 180260954 /nfs/dbraw/zinc/26/09/54/180260954.db2.gz JLZOXLWRIZDKQH-UHFFFAOYSA-N 3 2 236.363 1.267 10 0 BDAELP CCC[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000309499033 350614407 /nfs/dbraw/zinc/61/44/07/350614407.db2.gz ULWQJLPXFSWIJW-SSDOTTSWSA-N 2 2 210.281 1.207 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616604490 350793268 /nfs/dbraw/zinc/79/32/68/350793268.db2.gz QAUNCIQSDNYMRJ-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616604490 350793270 /nfs/dbraw/zinc/79/32/70/350793270.db2.gz QAUNCIQSDNYMRJ-LBPRGKRZSA-N 2 2 219.332 1.610 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccccc1CCO ZINC000616608528 350804313 /nfs/dbraw/zinc/80/43/13/350804313.db2.gz XDUARVFEOJYVBZ-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H]1c1ccccc1CCO ZINC000616608528 350804316 /nfs/dbraw/zinc/80/43/16/350804316.db2.gz XDUARVFEOJYVBZ-AWEZNQCLSA-N 2 2 234.343 1.317 10 0 BDAELP C[C@@H]1SCC[C@@H]1[N@@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677738 350832694 /nfs/dbraw/zinc/83/26/94/350832694.db2.gz ZSHBBNBXCIYZQY-VWYCJHECSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1SCC[C@@H]1[N@H+]1CCC[NH2+][C@H](C)C1 ZINC000306677738 350832695 /nfs/dbraw/zinc/83/26/95/350832695.db2.gz ZSHBBNBXCIYZQY-VWYCJHECSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)CCS1 ZINC000252981002 350917968 /nfs/dbraw/zinc/91/79/68/350917968.db2.gz PEQSZNXIFZXTMC-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)CCS1 ZINC000252981002 350917971 /nfs/dbraw/zinc/91/79/71/350917971.db2.gz PEQSZNXIFZXTMC-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1SCC[N@H+]([C@H]2CC[NH2+]C2)[C@H]1C ZINC000253062642 350918006 /nfs/dbraw/zinc/91/80/06/350918006.db2.gz FZCORUICCUJOBP-GUBZILKMSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@@H]1SCC[N@@H+]([C@H]2CC[NH2+]C2)[C@H]1C ZINC000253062642 350918008 /nfs/dbraw/zinc/91/80/08/350918008.db2.gz FZCORUICCUJOBP-GUBZILKMSA-N 2 2 200.351 1.174 10 0 BDAELP C/C(=C\Cl)C[N@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC000306800753 351056481 /nfs/dbraw/zinc/05/64/81/351056481.db2.gz PFDXUTDXUYUUPD-OKJFYCPLSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C\Cl)C[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC000306800753 351056484 /nfs/dbraw/zinc/05/64/84/351056484.db2.gz PFDXUTDXUYUUPD-OKJFYCPLSA-N 2 2 202.729 1.941 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@H](C[NH3+])C1CC1 ZINC000251944415 362993128 /nfs/dbraw/zinc/99/31/28/362993128.db2.gz ZWMUOWDNLSFFBD-PSASIEDQSA-N 2 2 200.351 1.161 10 0 BDAELP C[C@@H]1CSCC[N@H+]1[C@H](C[NH3+])C1CC1 ZINC000251944415 362993132 /nfs/dbraw/zinc/99/31/32/362993132.db2.gz ZWMUOWDNLSFFBD-PSASIEDQSA-N 2 2 200.351 1.161 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccccc1CO ZINC000616631002 351104602 /nfs/dbraw/zinc/10/46/02/351104602.db2.gz FEUPADVLMIDDHH-CYBMUJFWSA-N 2 2 220.316 1.275 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccccc1CO ZINC000616631002 351104605 /nfs/dbraw/zinc/10/46/05/351104605.db2.gz FEUPADVLMIDDHH-CYBMUJFWSA-N 2 2 220.316 1.275 10 0 BDAELP [NH3+]CC[N@@H+]1CCCCC[C@@H]1c1ccno1 ZINC000616623827 351090167 /nfs/dbraw/zinc/09/01/67/351090167.db2.gz JBHSEVUTGJTEOV-SNVBAGLBSA-N 2 2 209.293 1.550 10 0 BDAELP [NH3+]CC[N@H+]1CCCCC[C@@H]1c1ccno1 ZINC000616623827 351090169 /nfs/dbraw/zinc/09/01/69/351090169.db2.gz JBHSEVUTGJTEOV-SNVBAGLBSA-N 2 2 209.293 1.550 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cnoc2)CC1 ZINC000616627637 351095698 /nfs/dbraw/zinc/09/56/98/351095698.db2.gz IJBQEUHDCKNRTM-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cnoc2)CC1 ZINC000616627637 351095701 /nfs/dbraw/zinc/09/57/01/351095701.db2.gz IJBQEUHDCKNRTM-JTQLQIEISA-N 2 2 209.293 1.203 10 0 BDAELP CNc1ccc([C@@H]2COCCC[N@@H+]2CC[NH3+])cc1 ZINC000616646478 351171110 /nfs/dbraw/zinc/17/11/10/351171110.db2.gz XFGJFMURJNYVSY-AWEZNQCLSA-N 2 2 249.358 1.450 10 0 BDAELP 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CC(C)[C@@](C)(C[NH3+])[N@@H+]1CCOCC1(C)C ZINC000042461473 187804949 /nfs/dbraw/zinc/80/49/49/187804949.db2.gz ZTEKJHWINPBVPJ-GFCCVEGCSA-N 2 2 214.353 1.471 10 0 BDAELP CC(C)[C@@](C)(C[NH3+])[N@H+]1CCOCC1(C)C ZINC000042461473 187804950 /nfs/dbraw/zinc/80/49/50/187804950.db2.gz ZTEKJHWINPBVPJ-GFCCVEGCSA-N 2 2 214.353 1.471 10 0 BDAELP C[C@H]1CCC[C@H](C[NH3+])[N@@H+]1C1CSC1 ZINC000307663077 352748246 /nfs/dbraw/zinc/74/82/46/352748246.db2.gz IKXWFDBYQSLAQG-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1CCC[C@H](C[NH3+])[N@H+]1C1CSC1 ZINC000307663077 352748249 /nfs/dbraw/zinc/74/82/49/352748249.db2.gz IKXWFDBYQSLAQG-DTWKUNHWSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000165350021 353308470 /nfs/dbraw/zinc/30/84/70/353308470.db2.gz GYGYKRDZIWVGKG-VIFPVBQESA-N 2 2 244.298 1.373 10 0 BDAELP C(C[NH+]1CCCCC1)[NH2+]C[C@@H]1CCCO1 ZINC000041226401 188476054 /nfs/dbraw/zinc/47/60/54/188476054.db2.gz OSNYZGLSCDKFBL-LBPRGKRZSA-N 2 2 212.337 1.241 10 0 BDAELP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@@H+]1C ZINC000129593283 353738769 /nfs/dbraw/zinc/73/87/69/353738769.db2.gz GKRKYGYATPRCTO-AAEUAGOBSA-N 2 2 204.317 1.869 10 0 BDAELP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)C[N@H+]1C ZINC000129593283 353738772 /nfs/dbraw/zinc/73/87/72/353738772.db2.gz GKRKYGYATPRCTO-AAEUAGOBSA-N 2 2 204.317 1.869 10 0 BDAELP CC[C@@H](C[NH3+])[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223362543 355773939 /nfs/dbraw/zinc/77/39/39/355773939.db2.gz QCHAGPQWLKQHFT-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@@H](C[NH3+])[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000223362543 355773941 /nfs/dbraw/zinc/77/39/41/355773941.db2.gz QCHAGPQWLKQHFT-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP CCn1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cn1 ZINC000389148980 355731606 /nfs/dbraw/zinc/73/16/06/355731606.db2.gz IYYCBWKSHASQFR-YPMHNXCESA-N 2 2 236.363 1.648 10 0 BDAELP CCn1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cn1 ZINC000389148980 355731609 /nfs/dbraw/zinc/73/16/09/355731609.db2.gz IYYCBWKSHASQFR-YPMHNXCESA-N 2 2 236.363 1.648 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)c2ccccc2)C1 ZINC000145360284 356481376 /nfs/dbraw/zinc/48/13/76/356481376.db2.gz RPUGQAUNSGKTRG-LBPRGKRZSA-N 2 2 232.327 1.540 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)c2ccccc2)C1 ZINC000145360284 356481378 /nfs/dbraw/zinc/48/13/78/356481378.db2.gz RPUGQAUNSGKTRG-LBPRGKRZSA-N 2 2 232.327 1.540 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ccc(F)cc2)C[NH2+]C1 ZINC000675077595 538514244 /nfs/dbraw/zinc/51/42/44/538514244.db2.gz GIGKTJVXNFERRW-LBPRGKRZSA-N 2 2 206.264 1.225 10 0 BDAELP Cc1nc(CC2=C[C@H]([NH3+])C[NH2+]C2)c(C)s1 ZINC000675077771 538514279 /nfs/dbraw/zinc/51/42/79/538514279.db2.gz IJMXVJHEBIVVEJ-JTQLQIEISA-N 2 2 223.345 1.159 10 0 BDAELP [NH3+][C@@H]1C=C(c2c(F)cccc2F)C[NH2+]C1 ZINC000675077655 538514325 /nfs/dbraw/zinc/51/43/25/538514325.db2.gz GYUXVFPUTKFUCS-MRVPVSSYSA-N 2 2 210.227 1.279 10 0 BDAELP C[N@@H+]1CCSC[C@@H]1[C@H]([NH3+])C1CCC1 ZINC000300053997 357180173 /nfs/dbraw/zinc/18/01/73/357180173.db2.gz UXYVDAJLMOUQBI-NXEZZACHSA-N 2 2 200.351 1.161 10 0 BDAELP C[N@H+]1CCSC[C@@H]1[C@H]([NH3+])C1CCC1 ZINC000300053997 357180177 /nfs/dbraw/zinc/18/01/77/357180177.db2.gz UXYVDAJLMOUQBI-NXEZZACHSA-N 2 2 200.351 1.161 10 0 BDAELP CC[N@@H+]1CCO[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000158835585 538868872 /nfs/dbraw/zinc/86/88/72/538868872.db2.gz ABKYQNQMUIOJIO-LBPRGKRZSA-N 2 2 235.331 1.523 10 0 BDAELP CC[N@H+]1CCO[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000158835585 538868876 /nfs/dbraw/zinc/86/88/76/538868876.db2.gz ABKYQNQMUIOJIO-LBPRGKRZSA-N 2 2 235.331 1.523 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+]C[C@H]1F ZINC000685948450 538891247 /nfs/dbraw/zinc/89/12/47/538891247.db2.gz OJWCJXJMDGOCAI-GMTAPVOTSA-N 2 2 200.301 1.561 10 0 BDAELP C[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C[C@H]1F ZINC000685948450 538891248 /nfs/dbraw/zinc/89/12/48/538891248.db2.gz OJWCJXJMDGOCAI-GMTAPVOTSA-N 2 2 200.301 1.561 10 0 BDAELP CCC[C@H]1C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000233410853 357723144 /nfs/dbraw/zinc/72/31/44/357723144.db2.gz FUSAFUDOXGIZRS-CMPLNLGQSA-N 2 2 236.363 1.764 10 0 BDAELP [NH3+]CC[NH+]1CCCN(c2ccccc2)CCC1 ZINC000584615806 358280340 /nfs/dbraw/zinc/28/03/40/358280340.db2.gz GXIYJASOGVRWCW-UHFFFAOYSA-N 2 2 233.359 1.548 10 0 BDAELP [NH3+][C@]1(c2ccc(Br)cc2)CC[NH2+]C1 ZINC000584633988 358317704 /nfs/dbraw/zinc/31/77/04/358317704.db2.gz VKWLCFQDOOUHKT-SNVBAGLBSA-N 2 2 241.132 1.596 10 0 BDAELP CO[C@H](C)[C@H](C)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000133244143 358748457 /nfs/dbraw/zinc/74/84/57/358748457.db2.gz PPCSBOQVIKXQAL-YNEHKIRRSA-N 2 2 230.396 1.976 10 0 BDAELP c1cnn([C@H]2CCCC[C@H]2[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000072746170 359090045 /nfs/dbraw/zinc/09/00/45/359090045.db2.gz XBQCBXKVHWSISY-OLZOCXBDSA-N 2 2 245.330 1.880 10 0 BDAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000246740996 359160833 /nfs/dbraw/zinc/16/08/33/359160833.db2.gz GNZYLJKPDBXNRA-JHJVBQTASA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000246740996 359160839 /nfs/dbraw/zinc/16/08/39/359160839.db2.gz GNZYLJKPDBXNRA-JHJVBQTASA-N 2 2 226.364 1.580 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247209014 359201678 /nfs/dbraw/zinc/20/16/78/359201678.db2.gz VPXIDSCNRCACQX-RFGFWPKPSA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H](C)[C@H]2CCOC2)C1 ZINC000247209014 359201683 /nfs/dbraw/zinc/20/16/83/359201683.db2.gz VPXIDSCNRCACQX-RFGFWPKPSA-N 2 2 240.391 1.730 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000035787480 359399507 /nfs/dbraw/zinc/39/95/07/359399507.db2.gz DHVNHEYXIXLLNA-VWYCJHECSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@@H]([NH3+])C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000035787480 359399513 /nfs/dbraw/zinc/39/95/13/359399513.db2.gz DHVNHEYXIXLLNA-VWYCJHECSA-N 2 2 200.326 1.079 10 0 BDAELP CC[C@@H]1C[NH2+]C[C@@H]1[NH+]1CCSCC1 ZINC000160963599 359592996 /nfs/dbraw/zinc/59/29/96/359592996.db2.gz AYCGXSBAZMWJPR-ZJUUUORDSA-N 2 2 200.351 1.033 10 0 BDAELP CC(C)[N@H+]1C[C@H]([NH2+]C2CSC2)[C@@H](C)C1 ZINC000306312514 359593562 /nfs/dbraw/zinc/59/35/62/359593562.db2.gz NNENFPPSUDATFF-ONGXEEELSA-N 2 2 214.378 1.420 10 0 BDAELP CC(C)[N@@H+]1C[C@H]([NH2+]C2CSC2)[C@@H](C)C1 ZINC000306312514 359593565 /nfs/dbraw/zinc/59/35/65/359593565.db2.gz NNENFPPSUDATFF-ONGXEEELSA-N 2 2 214.378 1.420 10 0 BDAELP CC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090917151 360093988 /nfs/dbraw/zinc/09/39/88/360093988.db2.gz HZOVGOKQYSCHJE-YNEHKIRRSA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090917151 360093990 /nfs/dbraw/zinc/09/39/90/360093990.db2.gz HZOVGOKQYSCHJE-YNEHKIRRSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H](C)OC ZINC000306535483 360400292 /nfs/dbraw/zinc/40/02/92/360400292.db2.gz GHWHXEXOODMYJC-OCCSQVGLSA-N 2 2 236.359 1.871 10 0 BDAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])[C@@H](C)OC ZINC000306535483 360400294 /nfs/dbraw/zinc/40/02/94/360400294.db2.gz GHWHXEXOODMYJC-OCCSQVGLSA-N 2 2 236.359 1.871 10 0 BDAELP Cc1[nH]c(C[NH2+][C@H]2CSC[C@@H]2C)c[nH+]1 ZINC000306533302 360394797 /nfs/dbraw/zinc/39/47/97/360394797.db2.gz CSMQPZXJTFWYBH-XVKPBYJWSA-N 2 2 211.334 1.559 10 0 BDAELP C[N@H+](CCOCc1ccccc1)C[C@H]1CC[NH2+]1 ZINC000306522076 360356177 /nfs/dbraw/zinc/35/61/77/360356177.db2.gz OQPJNKQXRIEHBR-CQSZACIVSA-N 2 2 234.343 1.497 10 0 BDAELP C[N@@H+](CCOCc1ccccc1)C[C@H]1CC[NH2+]1 ZINC000306522076 360356182 /nfs/dbraw/zinc/35/61/82/360356182.db2.gz OQPJNKQXRIEHBR-CQSZACIVSA-N 2 2 234.343 1.497 10 0 BDAELP C[NH2+]C1(C[N@@H+]2CCSC[C@H]2C)CCC1 ZINC000306568330 360450333 /nfs/dbraw/zinc/45/03/33/360450333.db2.gz UOUUJTGCDANCOR-SNVBAGLBSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+]C1(C[N@H+]2CCSC[C@H]2C)CCC1 ZINC000306568330 360450338 /nfs/dbraw/zinc/45/03/38/360450338.db2.gz UOUUJTGCDANCOR-SNVBAGLBSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC000069761944 360422214 /nfs/dbraw/zinc/42/22/14/360422214.db2.gz QBKGJVSBKYXGOS-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1CSCC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC000069761944 360422216 /nfs/dbraw/zinc/42/22/16/360422216.db2.gz QBKGJVSBKYXGOS-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1C[NH2+][C@](C)([C@@H]2CC[NH2+]C2)SC1 ZINC000306580324 360470757 /nfs/dbraw/zinc/47/07/57/360470757.db2.gz OKLCNHVYDSXTNV-BBBLOLIVSA-N 2 2 200.351 1.285 10 0 BDAELP [NH3+][C@H]1CC[N@H+](C2CC2)[C@H]1c1cccs1 ZINC000069800134 360558723 /nfs/dbraw/zinc/55/87/23/360558723.db2.gz HUUZMJDCQIUYEV-GXSJLCMTSA-N 2 2 208.330 1.985 10 0 BDAELP [NH3+][C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccs1 ZINC000069800134 360558728 /nfs/dbraw/zinc/55/87/28/360558728.db2.gz HUUZMJDCQIUYEV-GXSJLCMTSA-N 2 2 208.330 1.985 10 0 BDAELP CC(C)[C@](C)(C[NH3+])[N@@H+]1CCOC[C@H]1C ZINC000041053642 361210279 /nfs/dbraw/zinc/21/02/79/361210279.db2.gz UJUAHMFWZKGHCK-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP CC(C)[C@](C)(C[NH3+])[N@H+]1CCOC[C@H]1C ZINC000041053642 361210284 /nfs/dbraw/zinc/21/02/84/361210284.db2.gz UJUAHMFWZKGHCK-MNOVXSKESA-N 2 2 200.326 1.081 10 0 BDAELP Cc1[nH]c(CC[NH3+])[nH+]c1-c1cccs1 ZINC000041062182 361242732 /nfs/dbraw/zinc/24/27/32/361242732.db2.gz GQDPCBAPJKDGHP-UHFFFAOYSA-N 2 2 207.302 1.948 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000152989945 201214699 /nfs/dbraw/zinc/21/46/99/201214699.db2.gz ZUMZNERZAAGHTC-XQQFMLRXSA-N 2 2 228.380 1.730 10 0 BDAELP CC[C@H](COC)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000152989945 201214703 /nfs/dbraw/zinc/21/47/03/201214703.db2.gz ZUMZNERZAAGHTC-XQQFMLRXSA-N 2 2 228.380 1.730 10 0 BDAELP [NH3+]C1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000070459741 181344476 /nfs/dbraw/zinc/34/44/76/181344476.db2.gz YJCRYDJLNBLAPW-ZDUSSCGKSA-N 2 2 238.306 1.282 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630364014 364082691 /nfs/dbraw/zinc/08/26/91/364082691.db2.gz OEPIVCKEFRZRDX-OLZOCXBDSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cccnc2)[C@](C)(C[NH3+])C1 ZINC000630364014 364082697 /nfs/dbraw/zinc/08/26/97/364082697.db2.gz OEPIVCKEFRZRDX-OLZOCXBDSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@H+](CCOCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364660 364083027 /nfs/dbraw/zinc/08/30/27/364083027.db2.gz FXQGTXFHVLXLCB-STQMWFEESA-N 2 2 244.379 1.097 10 0 BDAELP CO[C@@H]1C[N@@H+](CCOCC(C)C)[C@](C)(C[NH3+])C1 ZINC000630364660 364083030 /nfs/dbraw/zinc/08/30/30/364083030.db2.gz FXQGTXFHVLXLCB-STQMWFEESA-N 2 2 244.379 1.097 10 0 BDAELP CO[C@H]1C[N@H+](Cc2ccc(C)nc2)[C@@](C)(C[NH3+])C1 ZINC000630366336 364086566 /nfs/dbraw/zinc/08/65/66/364086566.db2.gz KCXWXQYJUCFVCG-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2ccc(C)nc2)[C@@](C)(C[NH3+])C1 ZINC000630366336 364086569 /nfs/dbraw/zinc/08/65/69/364086569.db2.gz KCXWXQYJUCFVCG-ZIAGYGMSSA-N 2 2 249.358 1.328 10 0 BDAELP CC[C@@H]1[NH2+]CC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000630525630 364212514 /nfs/dbraw/zinc/21/25/14/364212514.db2.gz JYWNQDLNQCAZRV-WDEREUQCSA-N 2 2 244.342 1.548 10 0 BDAELP [NH3+]CCC[N@H+](Cc1ncccn1)C1CCCCC1 ZINC000054458611 181380184 /nfs/dbraw/zinc/38/01/84/181380184.db2.gz HQTIUTUFVIGIAW-UHFFFAOYSA-N 2 2 248.374 1.960 10 0 BDAELP [NH3+]CCC[N@@H+](Cc1ncccn1)C1CCCCC1 ZINC000054458611 181380186 /nfs/dbraw/zinc/38/01/86/181380186.db2.gz HQTIUTUFVIGIAW-UHFFFAOYSA-N 2 2 248.374 1.960 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000253061589 368445607 /nfs/dbraw/zinc/44/56/07/368445607.db2.gz FDOWAJGTBFFAIM-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@@H]1C[N@H+]([C@H]2CCC[NH2+]C2)CCS1 ZINC000253061589 368445611 /nfs/dbraw/zinc/44/56/11/368445611.db2.gz FDOWAJGTBFFAIM-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1nccs1 ZINC000161676662 370958560 /nfs/dbraw/zinc/95/85/60/370958560.db2.gz MTBQSRAYFWGPSK-IUCAKERBSA-N 2 2 211.334 1.355 10 0 BDAELP C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1nccs1 ZINC000161676662 370958565 /nfs/dbraw/zinc/95/85/65/370958565.db2.gz MTBQSRAYFWGPSK-IUCAKERBSA-N 2 2 211.334 1.355 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@@H+]1CC1([NH3+])CC1 ZINC000132488831 371836136 /nfs/dbraw/zinc/83/61/36/371836136.db2.gz NTNNFRURRBHVQK-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1[C@H](C)SCC[N@H+]1CC1([NH3+])CC1 ZINC000132488831 371836149 /nfs/dbraw/zinc/83/61/49/371836149.db2.gz NTNNFRURRBHVQK-BDAKNGLRSA-N 2 2 200.351 1.304 10 0 BDAELP CC[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133028797 371974813 /nfs/dbraw/zinc/97/48/13/371974813.db2.gz INXUJPYUDHLMIN-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)CCS1 ZINC000133028797 371974820 /nfs/dbraw/zinc/97/48/20/371974820.db2.gz INXUJPYUDHLMIN-QWRGUYRKSA-N 2 2 214.378 1.566 10 0 BDAELP CC(C)n1ccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841160 372638680 /nfs/dbraw/zinc/63/86/80/372638680.db2.gz YYBGFOJQDGTUAY-NEPJUHHUSA-N 2 2 236.363 1.491 10 0 BDAELP CC(C)n1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631841160 372638686 /nfs/dbraw/zinc/63/86/86/372638686.db2.gz YYBGFOJQDGTUAY-NEPJUHHUSA-N 2 2 236.363 1.491 10 0 BDAELP OC1(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000333107407 183016285 /nfs/dbraw/zinc/01/62/85/183016285.db2.gz RGPQNNZASKNUJW-NSHDSACASA-N 2 2 235.331 1.504 10 0 BDAELP OC1(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000333107407 183016288 /nfs/dbraw/zinc/01/62/88/183016288.db2.gz RGPQNNZASKNUJW-NSHDSACASA-N 2 2 235.331 1.504 10 0 BDAELP O[C@@H]1CCCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000054126915 183187959 /nfs/dbraw/zinc/18/79/59/183187959.db2.gz OWQXDIMTOXFOCO-QWHCGFSZSA-N 2 2 226.364 1.365 10 0 BDAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000121204326 183188310 /nfs/dbraw/zinc/18/83/10/183188310.db2.gz JOGYKNDUOBABNJ-UONOGXRCSA-N 2 2 249.358 1.824 10 0 BDAELP O[C@@H]1CCCCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000049575086 183188477 /nfs/dbraw/zinc/18/84/77/183188477.db2.gz MWVJBBIPPPNWED-ZIAGYGMSSA-N 2 2 240.391 1.756 10 0 BDAELP CCC[N@@H+]1CC[C@@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073654039 169207413 /nfs/dbraw/zinc/20/74/13/169207413.db2.gz LQVMPVBVAUSMQA-CHWSQXEVSA-N 2 2 226.364 1.439 10 0 BDAELP CCC[N@H+]1CC[C@@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073654039 169207415 /nfs/dbraw/zinc/20/74/15/169207415.db2.gz LQVMPVBVAUSMQA-CHWSQXEVSA-N 2 2 226.364 1.439 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000226591191 134367472 /nfs/dbraw/zinc/36/74/72/134367472.db2.gz OCYMUQHSTWZVBH-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226857802 134369944 /nfs/dbraw/zinc/36/99/44/134369944.db2.gz UOGVURCHMXHKEW-RYUDHWBXSA-N 2 2 212.337 1.049 10 0 BDAELP CC[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000226857802 134369945 /nfs/dbraw/zinc/36/99/45/134369945.db2.gz UOGVURCHMXHKEW-RYUDHWBXSA-N 2 2 212.337 1.049 10 0 BDAELP O=C1NC=[NH+][C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000087489350 383847088 /nfs/dbraw/zinc/84/70/88/383847088.db2.gz UCMFKIXRJBDWLN-QWHCGFSZSA-N 2 2 243.310 1.035 10 0 BDAELP O=C1NC=[NH+][C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]12 ZINC000087489350 383847098 /nfs/dbraw/zinc/84/70/98/383847098.db2.gz UCMFKIXRJBDWLN-QWHCGFSZSA-N 2 2 243.310 1.035 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCCCO1 ZINC000309400477 384032290 /nfs/dbraw/zinc/03/22/90/384032290.db2.gz HHKPKFWIVDQBOD-VOAKCMCISA-N 2 2 226.364 1.484 10 0 BDAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCCCO1 ZINC000309400477 384032293 /nfs/dbraw/zinc/03/22/93/384032293.db2.gz HHKPKFWIVDQBOD-VOAKCMCISA-N 2 2 226.364 1.484 10 0 BDAELP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nccs1 ZINC000070733559 384135061 /nfs/dbraw/zinc/13/50/61/384135061.db2.gz INTVECXUDRCWHR-ZJUUUORDSA-N 2 2 225.361 1.793 10 0 BDAELP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1nccs1 ZINC000070634493 384127836 /nfs/dbraw/zinc/12/78/36/384127836.db2.gz BRXGKRMKDTYYFJ-IUCAKERBSA-N 2 2 211.334 1.403 10 0 BDAELP Cc1cc[nH+]cc1NC1CC[NH+](C)CC1 ZINC000070957650 384144042 /nfs/dbraw/zinc/14/40/42/384144042.db2.gz PGHDKIGOOFLSCA-UHFFFAOYSA-N 2 2 205.305 1.896 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000072200990 384199719 /nfs/dbraw/zinc/19/97/19/384199719.db2.gz HEEMGQNZJGFHRD-QMMMGPOBSA-N 2 2 220.194 1.544 10 0 BDAELP CN(C[C@@H]1CCC[NH2+]1)c1[nH]c2ccccc2[nH+]1 ZINC000095070980 384339212 /nfs/dbraw/zinc/33/92/12/384339212.db2.gz GBPZTIIGHCIADY-JTQLQIEISA-N 2 2 230.315 1.751 10 0 BDAELP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccccn1 ZINC000095072276 384343475 /nfs/dbraw/zinc/34/34/75/384343475.db2.gz LNIIYMZGKXCBNO-RYUDHWBXSA-N 2 2 205.305 1.441 10 0 BDAELP O=C(C[NH2+]C[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072794 384346078 /nfs/dbraw/zinc/34/60/78/384346078.db2.gz QUDXSGYNKGRTJO-JTQLQIEISA-N 2 2 222.288 1.052 10 0 BDAELP Cc1cc(Br)ccc1[C@H]([NH3+])C[NH3+] ZINC000072201227 384815846 /nfs/dbraw/zinc/81/58/46/384815846.db2.gz JRSNNRLUXPUAAS-SECBINFHSA-N 2 2 229.121 1.716 10 0 BDAELP C[C@@H]([NH3+])CCNc1cc(NC2CC2)nc[nH+]1 ZINC000258693553 384932668 /nfs/dbraw/zinc/93/26/68/384932668.db2.gz QLSATDXDTWXAMF-MRVPVSSYSA-N 2 2 221.308 1.200 10 0 BDAELP C[C@@H]([NH3+])CCNc1cc(NC2CC2)[nH+]cn1 ZINC000258693553 384932673 /nfs/dbraw/zinc/93/26/73/384932673.db2.gz QLSATDXDTWXAMF-MRVPVSSYSA-N 2 2 221.308 1.200 10 0 BDAELP C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000307331281 384989096 /nfs/dbraw/zinc/98/90/96/384989096.db2.gz OUQTXTGZWHSVPA-GXTWGEPZSA-N 2 2 234.343 1.543 10 0 BDAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000178473029 385286196 /nfs/dbraw/zinc/28/61/96/385286196.db2.gz GAIAFLNSZPSTFJ-QWHCGFSZSA-N 2 2 228.380 1.875 10 0 BDAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000178473029 385286199 /nfs/dbraw/zinc/28/61/99/385286199.db2.gz GAIAFLNSZPSTFJ-QWHCGFSZSA-N 2 2 228.380 1.875 10 0 BDAELP c1ccc(C[N@H+]2CC[C@H](C[NH2+]C3COC3)C2)cc1 ZINC000309652237 385769591 /nfs/dbraw/zinc/76/95/91/385769591.db2.gz HELXZTHLDZHVEA-CQSZACIVSA-N 2 2 246.354 1.497 10 0 BDAELP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3COC3)C2)cc1 ZINC000309652237 385769597 /nfs/dbraw/zinc/76/95/97/385769597.db2.gz HELXZTHLDZHVEA-CQSZACIVSA-N 2 2 246.354 1.497 10 0 BDAELP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334845646 386895157 /nfs/dbraw/zinc/89/51/57/386895157.db2.gz ZQYXGWKDCVQFOI-JOYOIKCWSA-N 2 2 230.315 1.484 10 0 BDAELP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC000334845646 386895162 /nfs/dbraw/zinc/89/51/62/386895162.db2.gz ZQYXGWKDCVQFOI-JOYOIKCWSA-N 2 2 230.315 1.484 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000247961198 387137029 /nfs/dbraw/zinc/13/70/29/387137029.db2.gz GFOIEJFWQJSVJS-MJBXVCDLSA-N 2 2 242.407 1.976 10 0 BDAELP COC[C@H]([NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000247961198 387137034 /nfs/dbraw/zinc/13/70/34/387137034.db2.gz GFOIEJFWQJSVJS-MJBXVCDLSA-N 2 2 242.407 1.976 10 0 BDAELP CS[C@H]1C[NH2+]C[C@@H]1[N@@H+]1CCC1(C)C ZINC000575591609 387213402 /nfs/dbraw/zinc/21/34/02/387213402.db2.gz PWOXKGMNCTVYAU-IUCAKERBSA-N 2 2 200.351 1.174 10 0 BDAELP CS[C@H]1C[NH2+]C[C@@H]1[N@H+]1CCC1(C)C ZINC000575591609 387213408 /nfs/dbraw/zinc/21/34/08/387213408.db2.gz PWOXKGMNCTVYAU-IUCAKERBSA-N 2 2 200.351 1.174 10 0 BDAELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cnn(C)c1 ZINC000396646506 387928725 /nfs/dbraw/zinc/92/87/25/387928725.db2.gz CGOSDLDIDVUVIE-JBLDHEPKSA-N 2 2 222.336 1.211 10 0 BDAELP C[C@@H]1CC[N@H+](CCCO)C[C@H]1n1cc[nH+]c1 ZINC000246240721 388022526 /nfs/dbraw/zinc/02/25/26/388022526.db2.gz HRYUDQKDVHYZJM-VXGBXAGGSA-N 2 2 223.320 1.148 10 0 BDAELP C[C@@H]1CC[N@@H+](CCCO)C[C@H]1n1cc[nH+]c1 ZINC000246240721 388022529 /nfs/dbraw/zinc/02/25/29/388022529.db2.gz HRYUDQKDVHYZJM-VXGBXAGGSA-N 2 2 223.320 1.148 10 0 BDAELP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083704413 388059475 /nfs/dbraw/zinc/05/94/75/388059475.db2.gz OWLIHMIADJREQK-QWHCGFSZSA-N 2 2 248.374 1.479 10 0 BDAELP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1[nH+]ccn1C ZINC000083704413 388059478 /nfs/dbraw/zinc/05/94/78/388059478.db2.gz OWLIHMIADJREQK-QWHCGFSZSA-N 2 2 248.374 1.479 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000335595624 388451793 /nfs/dbraw/zinc/45/17/93/388451793.db2.gz FGPDODVZUPFFDU-WDEREUQCSA-N 2 2 233.315 1.139 10 0 BDAELP CC[C@H]([NH3+])C[N@H+](C)CCc1ccncc1 ZINC000039783776 388410238 /nfs/dbraw/zinc/41/02/38/388410238.db2.gz QASIPMMEWRXHPG-LBPRGKRZSA-N 2 2 207.321 1.293 10 0 BDAELP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccncc1 ZINC000039783776 388410242 /nfs/dbraw/zinc/41/02/42/388410242.db2.gz QASIPMMEWRXHPG-LBPRGKRZSA-N 2 2 207.321 1.293 10 0 BDAELP C1C[NH+]([C@@H]2CCCC[NH2+]C2)CCS1 ZINC000054134949 388593135 /nfs/dbraw/zinc/59/31/35/388593135.db2.gz QAMUMIOJNUBLPI-SNVBAGLBSA-N 2 2 200.351 1.177 10 0 BDAELP CCOC[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000328459132 388643574 /nfs/dbraw/zinc/64/35/74/388643574.db2.gz GNSMTAFLVXGFIF-QWRGUYRKSA-N 2 2 200.326 1.095 10 0 BDAELP CCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000328459132 388643576 /nfs/dbraw/zinc/64/35/76/388643576.db2.gz GNSMTAFLVXGFIF-QWRGUYRKSA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000249097552 388708791 /nfs/dbraw/zinc/70/87/91/388708791.db2.gz MNSOPDOFODBEKM-MGPQQGTHSA-N 2 2 242.407 1.977 10 0 BDAELP Cc1[nH+]cnc(N2CCC(C[NH3+])CC2)c1C ZINC000045954847 132299067 /nfs/dbraw/zinc/29/90/67/132299067.db2.gz LHZASGZYWPZIRQ-UHFFFAOYSA-N 2 2 220.320 1.269 10 0 BDAELP CCCc1cc(N2CCC([NH3+])CC2)nc(CC)[nH+]1 ZINC000045951015 132299393 /nfs/dbraw/zinc/29/93/93/132299393.db2.gz VAZPZVHCDHKBAM-UHFFFAOYSA-N 2 2 248.374 1.919 10 0 BDAELP CCCc1nc(N2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC000057328700 132301143 /nfs/dbraw/zinc/30/11/43/132301143.db2.gz VIVBFUBADQURRV-UHFFFAOYSA-N 2 2 246.358 1.327 10 0 BDAELP CC[C@H](C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019403589 132324531 /nfs/dbraw/zinc/32/45/31/132324531.db2.gz XIEONGWSEGXCLQ-CYBMUJFWSA-N 2 2 233.359 1.546 10 0 BDAELP CCO[C@@H]1CCCN(c2cc[nH+]c(C[NH3+])c2)C1 ZINC000051398218 132360280 /nfs/dbraw/zinc/36/02/80/132360280.db2.gz USWVVJYSBAQUFL-CYBMUJFWSA-N 2 2 235.331 1.546 10 0 BDAELP C[NH2+]C[C@H]1CCCCN1c1cc[nH+]c(C)n1 ZINC000054937713 132365305 /nfs/dbraw/zinc/36/53/05/132365305.db2.gz MQRAGVNKVHNYNB-LLVKDONJSA-N 2 2 220.320 1.363 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000178297680 134306101 /nfs/dbraw/zinc/30/61/01/134306101.db2.gz DYHYTVFSNWLSQG-KGLIPLIRSA-N 2 2 249.358 1.835 10 0 BDAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H]1CCCO1 ZINC000178297680 134306102 /nfs/dbraw/zinc/30/61/02/134306102.db2.gz DYHYTVFSNWLSQG-KGLIPLIRSA-N 2 2 249.358 1.835 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)C1 ZINC000226591191 134367471 /nfs/dbraw/zinc/36/74/71/134367471.db2.gz OCYMUQHSTWZVBH-XQQFMLRXSA-N 2 2 226.364 1.628 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248733585 135020560 /nfs/dbraw/zinc/02/05/60/135020560.db2.gz KDMIPZFMDVLLRD-STQMWFEESA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248733585 135020558 /nfs/dbraw/zinc/02/05/58/135020558.db2.gz KDMIPZFMDVLLRD-STQMWFEESA-N 2 2 226.364 1.485 10 0 BDAELP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000251509904 135070396 /nfs/dbraw/zinc/07/03/96/135070396.db2.gz FJQPESCPEZXXIT-RDBSUJKOSA-N 2 2 239.407 1.401 10 0 BDAELP CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000251509904 135070394 /nfs/dbraw/zinc/07/03/94/135070394.db2.gz FJQPESCPEZXXIT-RDBSUJKOSA-N 2 2 239.407 1.401 10 0 BDAELP c1ccc(N2CCC[C@]3(CC[NH2+]C3)C2)[nH+]c1 ZINC000257698400 135140256 /nfs/dbraw/zinc/14/02/56/135140256.db2.gz KRJYNSVCQNSCGZ-CYBMUJFWSA-N 2 2 217.316 1.662 10 0 BDAELP C[C@H]1C[N@H+](Cc2cncc(F)c2)CC[C@H]1[NH3+] ZINC000261533908 135166013 /nfs/dbraw/zinc/16/60/13/135166013.db2.gz LCYFESHONPJJDN-JOYOIKCWSA-N 2 2 223.295 1.390 10 0 BDAELP C[C@H]1C[N@@H+](Cc2cncc(F)c2)CC[C@H]1[NH3+] ZINC000261533908 135166015 /nfs/dbraw/zinc/16/60/15/135166015.db2.gz LCYFESHONPJJDN-JOYOIKCWSA-N 2 2 223.295 1.390 10 0 BDAELP Cc1cc(N2CC[C@@H]([NH3+])C(C)(C)C2)nc[nH+]1 ZINC000261565658 135208064 /nfs/dbraw/zinc/20/80/64/135208064.db2.gz DCERXJSCGDGCGK-SNVBAGLBSA-N 2 2 220.320 1.349 10 0 BDAELP C[C@@]1(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929151 135263428 /nfs/dbraw/zinc/26/34/28/135263428.db2.gz CORDTRADEKJZMB-WCQYABFASA-N 3 2 225.380 1.045 10 0 BDAELP C[C@@]1(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)CC[NH2+]C1 ZINC000261929151 135263429 /nfs/dbraw/zinc/26/34/29/135263429.db2.gz CORDTRADEKJZMB-WCQYABFASA-N 3 2 225.380 1.045 10 0 BDAELP CC(C)[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000082639665 167027865 /nfs/dbraw/zinc/02/78/65/167027865.db2.gz XCXKWOYEMFJWJR-CYBMUJFWSA-N 2 2 204.317 1.953 10 0 BDAELP CC(C)[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000082639665 167027866 /nfs/dbraw/zinc/02/78/66/167027866.db2.gz XCXKWOYEMFJWJR-CYBMUJFWSA-N 2 2 204.317 1.953 10 0 BDAELP CC(C)C[NH2+]C[C@@H](C)C[N@@H+]1CCOCC1(C)C ZINC000052546067 167005545 /nfs/dbraw/zinc/00/55/45/167005545.db2.gz LVEOZAJNGDXMAF-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]C[C@@H](C)C[N@H+]1CCOCC1(C)C ZINC000052546067 167005546 /nfs/dbraw/zinc/00/55/46/167005546.db2.gz LVEOZAJNGDXMAF-CYBMUJFWSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)NC(=O)C[N@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042609845 167047645 /nfs/dbraw/zinc/04/76/45/167047645.db2.gz IMCZRAWVXSVYJW-NWDGAFQWSA-N 2 2 241.379 1.103 10 0 BDAELP CC(C)NC(=O)C[N@@H+](C)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042609845 167047647 /nfs/dbraw/zinc/04/76/47/167047647.db2.gz IMCZRAWVXSVYJW-NWDGAFQWSA-N 2 2 241.379 1.103 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCC[C@@H]1CCO ZINC000042409298 167105061 /nfs/dbraw/zinc/10/50/61/167105061.db2.gz SVYVZPRHTGWDCE-GFCCVEGCSA-N 2 2 214.353 1.221 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCC[C@@H]1CCO ZINC000042409298 167105062 /nfs/dbraw/zinc/10/50/62/167105062.db2.gz SVYVZPRHTGWDCE-GFCCVEGCSA-N 2 2 214.353 1.221 10 0 BDAELP CC(C)[NH2+]C[C@@H](C)[N@@H+]1CCCSCC1 ZINC000052370981 167110264 /nfs/dbraw/zinc/11/02/64/167110264.db2.gz OZRRFNWPJCZASN-LLVKDONJSA-N 2 2 216.394 1.812 10 0 BDAELP CC(C)[NH2+]C[C@@H](C)[N@H+]1CCCSCC1 ZINC000052370981 167110265 /nfs/dbraw/zinc/11/02/65/167110265.db2.gz OZRRFNWPJCZASN-LLVKDONJSA-N 2 2 216.394 1.812 10 0 BDAELP CC(C)[NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000309676648 167112684 /nfs/dbraw/zinc/11/26/84/167112684.db2.gz LXRPJUVZDHINDX-STQMWFEESA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935567 167113307 /nfs/dbraw/zinc/11/33/07/167113307.db2.gz FTINPIRRLXBJQF-RYUDHWBXSA-N 2 2 214.353 1.484 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@H+]1CCCO[C@@H](C)C1 ZINC000061935567 167113310 /nfs/dbraw/zinc/11/33/10/167113310.db2.gz FTINPIRRLXBJQF-RYUDHWBXSA-N 2 2 214.353 1.484 10 0 BDAELP Nc1cc([C@H]2CCC[N@H+](CC[NH3+])CC2)cc[nH+]1 ZINC000616627185 411287389 /nfs/dbraw/zinc/28/73/89/411287389.db2.gz FTQAQALIRRWONR-NSHDSACASA-N 3 2 234.347 1.192 10 0 BDAELP Nc1cc([C@H]2CCC[N@@H+](CC[NH3+])CC2)cc[nH+]1 ZINC000616627185 411287393 /nfs/dbraw/zinc/28/73/93/411287393.db2.gz FTQAQALIRRWONR-NSHDSACASA-N 3 2 234.347 1.192 10 0 BDAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000656702936 411339286 /nfs/dbraw/zinc/33/92/86/411339286.db2.gz UPAQSHOSMHECAC-JHJVBQTASA-N 2 2 240.391 1.752 10 0 BDAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000656702936 411339289 /nfs/dbraw/zinc/33/92/89/411339289.db2.gz UPAQSHOSMHECAC-JHJVBQTASA-N 2 2 240.391 1.752 10 0 BDAELP CC1CCC(C[NH3+])([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000019439458 168152765 /nfs/dbraw/zinc/15/27/65/168152765.db2.gz CPXNIKLJKCMZDX-CPCZMJQVSA-N 2 2 226.364 1.615 10 0 BDAELP CC1CCC(C[NH3+])([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000019439458 168152769 /nfs/dbraw/zinc/15/27/69/168152769.db2.gz CPXNIKLJKCMZDX-CPCZMJQVSA-N 2 2 226.364 1.615 10 0 BDAELP CC1CC[NH+](CC[NH2+]CC2CCOCC2)CC1 ZINC000052178633 168181110 /nfs/dbraw/zinc/18/11/10/168181110.db2.gz LKKJEIVTUMZBJZ-UHFFFAOYSA-N 2 2 240.391 1.735 10 0 BDAELP O[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657373548 411482107 /nfs/dbraw/zinc/48/21/07/411482107.db2.gz YWQHVRCRRXLNQI-DGCLKSJQSA-N 2 2 249.358 1.470 10 0 BDAELP OC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657371630 411484527 /nfs/dbraw/zinc/48/45/27/411484527.db2.gz XSYLNRWIZZCOOO-AAEUAGOBSA-N 2 2 249.358 1.470 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073653876 170018928 /nfs/dbraw/zinc/01/89/28/170018928.db2.gz UOGVURCHMXHKEW-NEPJUHHUSA-N 2 2 212.337 1.049 10 0 BDAELP CC[N@H+]1CC[C@H]([NH+]2CCOCC2)[C@H](C)C1 ZINC000073653876 170018930 /nfs/dbraw/zinc/01/89/30/170018930.db2.gz UOGVURCHMXHKEW-NEPJUHHUSA-N 2 2 212.337 1.049 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336891768 170020133 /nfs/dbraw/zinc/02/01/33/170020133.db2.gz IWPRGPALYUDKDD-RYUDHWBXSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336891768 170020135 /nfs/dbraw/zinc/02/01/35/170020135.db2.gz IWPRGPALYUDKDD-RYUDHWBXSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000328469958 170021836 /nfs/dbraw/zinc/02/18/36/170021836.db2.gz KWSMHZRLNHOPIS-AAEUAGOBSA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000328469958 170021837 /nfs/dbraw/zinc/02/18/37/170021837.db2.gz KWSMHZRLNHOPIS-AAEUAGOBSA-N 2 2 248.374 1.481 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000336775994 170034563 /nfs/dbraw/zinc/03/45/63/170034563.db2.gz DHVPLZVDJKQNKJ-XQQFMLRXSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCOC2)[C@@H](C)C1 ZINC000336775994 170034565 /nfs/dbraw/zinc/03/45/65/170034565.db2.gz DHVPLZVDJKQNKJ-XQQFMLRXSA-N 2 2 226.364 1.343 10 0 BDAELP CCNC(=O)C[N@H+](CC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042370629 170057614 /nfs/dbraw/zinc/05/76/14/170057614.db2.gz YOCXEEIXBPQBDP-NWDGAFQWSA-N 2 2 241.379 1.104 10 0 BDAELP CCNC(=O)C[N@@H+](CC)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042370629 170057615 /nfs/dbraw/zinc/05/76/15/170057615.db2.gz YOCXEEIXBPQBDP-NWDGAFQWSA-N 2 2 241.379 1.104 10 0 BDAELP CC[NH2+]C1CC[NH+](C[C@H]2CC[N@H+](C)C2)CC1 ZINC000037485133 170108584 /nfs/dbraw/zinc/10/85/84/170108584.db2.gz FVDYJASLNRAUQV-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]C1CC[NH+](C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000037485133 170108585 /nfs/dbraw/zinc/10/85/85/170108585.db2.gz FVDYJASLNRAUQV-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP CC[NH2+]Cc1sc(C[NH+](C)C)nc1COC ZINC000082446651 170132544 /nfs/dbraw/zinc/13/25/44/170132544.db2.gz LTXVKXXFPAAUDD-UHFFFAOYSA-N 2 2 243.376 1.461 10 0 BDAELP CC[NH2+][C@H](C)[C@@H](C)N1CCn2cc[nH+]c2C1 ZINC000062250457 170158604 /nfs/dbraw/zinc/15/86/04/170158604.db2.gz QPJMCYVOZGXOFE-GHMZBOCLSA-N 2 2 222.336 1.085 10 0 BDAELP CCOC1CC[NH+]([C@H](C)C[NH2+]CCOC)CC1 ZINC000053494121 170333110 /nfs/dbraw/zinc/33/31/10/170333110.db2.gz LFCCBQXVSRVHQF-GFCCVEGCSA-N 2 2 244.379 1.112 10 0 BDAELP CO[C@@H](C[NH2+][C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662265932 412058349 /nfs/dbraw/zinc/05/83/49/412058349.db2.gz UNJNDJBHKWQUGW-STQMWFEESA-N 2 2 226.364 1.533 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000061590073 171107892 /nfs/dbraw/zinc/10/78/92/171107892.db2.gz NJRGJBOHRVCTRT-NEPJUHHUSA-N 2 2 244.404 1.322 10 0 BDAELP CC[C@@H]1COCC[N@H+]1[C@]1(C[NH3+])CCCSC1 ZINC000061590073 171107894 /nfs/dbraw/zinc/10/78/94/171107894.db2.gz NJRGJBOHRVCTRT-NEPJUHHUSA-N 2 2 244.404 1.322 10 0 BDAELP CC[C@H](C)CN(C)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037172697 171273800 /nfs/dbraw/zinc/27/38/00/171273800.db2.gz RBMUEOMNXBNSIR-GXTWGEPZSA-N 2 2 239.407 1.387 10 0 BDAELP CC[C@H](C)N(CC)[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC000037112695 171312393 /nfs/dbraw/zinc/31/23/93/171312393.db2.gz IKLLLQPLTYARHP-GXTWGEPZSA-N 2 2 239.407 1.530 10 0 BDAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cscn1 ZINC000665241088 412182419 /nfs/dbraw/zinc/18/24/19/412182419.db2.gz ZMMWVXRLZZCNNO-LPEHRKFASA-N 2 2 225.361 1.792 10 0 BDAELP COCc1csc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000665263637 412207626 /nfs/dbraw/zinc/20/76/26/412207626.db2.gz QSVFOXAUTKJCSC-SNVBAGLBSA-N 2 2 226.345 1.346 10 0 BDAELP CC[C@H]1COCC[N@@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052481406 171671640 /nfs/dbraw/zinc/67/16/40/171671640.db2.gz YLDASPUMDIBGSS-KBPBESRZSA-N 2 2 242.407 1.979 10 0 BDAELP CC[C@H]1COCC[N@H+]1C[C@@H](C)C[NH2+]CC(C)C ZINC000052481406 171671642 /nfs/dbraw/zinc/67/16/42/171671642.db2.gz YLDASPUMDIBGSS-KBPBESRZSA-N 2 2 242.407 1.979 10 0 BDAELP CCc1cccc(OC[C@H](C[NH3+])[NH+](C)C)c1 ZINC000020400030 171866242 /nfs/dbraw/zinc/86/62/42/171866242.db2.gz RBOGUMGZINLFPU-LBPRGKRZSA-N 2 2 222.332 1.517 10 0 BDAELP CCc1[nH+]c2ccccc2n1CCC[NH3+] ZINC000020223191 172014457 /nfs/dbraw/zinc/01/44/57/172014457.db2.gz CUHJDYMPCREIGC-UHFFFAOYSA-N 2 2 203.289 1.948 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCO)C1 ZINC000177713349 172028723 /nfs/dbraw/zinc/02/87/23/172028723.db2.gz MTQGJFSFCSFRKE-NSHDSACASA-N 2 2 223.320 1.075 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCO)C1 ZINC000177713349 172028727 /nfs/dbraw/zinc/02/87/27/172028727.db2.gz MTQGJFSFCSFRKE-NSHDSACASA-N 2 2 223.320 1.075 10 0 BDAELP CCn1cc[nH+]c1CN1CCCC[C@H]1C[NH3+] ZINC000054743839 172220402 /nfs/dbraw/zinc/22/04/02/172220402.db2.gz RNAMMAPVAMZEBR-NSHDSACASA-N 2 2 222.336 1.216 10 0 BDAELP CCn1cnnc1[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000054497788 172239363 /nfs/dbraw/zinc/23/93/63/172239363.db2.gz LUPDGCUGEMTCLZ-GFCCVEGCSA-N 2 2 249.362 1.187 10 0 BDAELP CCn1cnnc1[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000054497788 172239365 /nfs/dbraw/zinc/23/93/65/172239365.db2.gz LUPDGCUGEMTCLZ-GFCCVEGCSA-N 2 2 249.362 1.187 10 0 BDAELP C[NH+](C)C[C@@H]1CCCN1c1ccc(N)[nH+]c1 ZINC000061642869 172487553 /nfs/dbraw/zinc/48/75/53/172487553.db2.gz IKNFGDLNPROVIP-NSHDSACASA-N 2 2 220.320 1.194 10 0 BDAELP CN(C[C@@H]1CC[NH2+]C1)c1[nH]c2ccccc2[nH+]1 ZINC000095071260 172816514 /nfs/dbraw/zinc/81/65/14/172816514.db2.gz KCSHZAQZRTZCKM-SNVBAGLBSA-N 2 2 230.315 1.609 10 0 BDAELP C[N@@H+]1CCC[C@@]([NH3+])(c2ccc(F)cc2)C1 ZINC000084387307 173036038 /nfs/dbraw/zinc/03/60/38/173036038.db2.gz PMQHZPNICJTVKA-LBPRGKRZSA-N 2 2 208.280 1.705 10 0 BDAELP C[N@H+]1CCC[C@@]([NH3+])(c2ccc(F)cc2)C1 ZINC000084387307 173036041 /nfs/dbraw/zinc/03/60/41/173036041.db2.gz PMQHZPNICJTVKA-LBPRGKRZSA-N 2 2 208.280 1.705 10 0 BDAELP CN1CCC[C@H]([N@H+](C)Cc2ccc(C[NH3+])o2)C1 ZINC000053249418 173043417 /nfs/dbraw/zinc/04/34/17/173043417.db2.gz LSLVSDSTZKTAII-NSHDSACASA-N 2 2 237.347 1.264 10 0 BDAELP CN1CCC[C@H]([N@@H+](C)Cc2ccc(C[NH3+])o2)C1 ZINC000053249418 173043418 /nfs/dbraw/zinc/04/34/18/173043418.db2.gz LSLVSDSTZKTAII-NSHDSACASA-N 2 2 237.347 1.264 10 0 BDAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000037646235 173117534 /nfs/dbraw/zinc/11/75/34/173117534.db2.gz IRBHUEHGLQXBIP-GXFFZTMASA-N 2 2 248.326 1.367 10 0 BDAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2COc3cc(O)ccc32)C1 ZINC000037646235 173117536 /nfs/dbraw/zinc/11/75/36/173117536.db2.gz IRBHUEHGLQXBIP-GXFFZTMASA-N 2 2 248.326 1.367 10 0 BDAELP C[N@@H+]1CC[C@@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000042548589 173124829 /nfs/dbraw/zinc/12/48/29/173124829.db2.gz RZWCLNYABZHVKR-MRVPVSSYSA-N 2 2 213.350 1.162 10 0 BDAELP C[N@H+]1CC[C@@H](NC2=[NH+]C(C)(C)CS2)C1 ZINC000042548589 173124830 /nfs/dbraw/zinc/12/48/30/173124830.db2.gz RZWCLNYABZHVKR-MRVPVSSYSA-N 2 2 213.350 1.162 10 0 BDAELP C[N@@H+]1CC[C@H](CNc2ccc(N)c[nH+]2)C1 ZINC000037484589 173147678 /nfs/dbraw/zinc/14/76/78/173147678.db2.gz SOLZWERKOLGXQP-SECBINFHSA-N 2 2 206.293 1.027 10 0 BDAELP C[N@H+]1CC[C@H](CNc2ccc(N)c[nH+]2)C1 ZINC000037484589 173147680 /nfs/dbraw/zinc/14/76/80/173147680.db2.gz SOLZWERKOLGXQP-SECBINFHSA-N 2 2 206.293 1.027 10 0 BDAELP C[N@H+]1C[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1 ZINC000193596829 173197972 /nfs/dbraw/zinc/19/79/72/173197972.db2.gz TVIXOVYFPSBSAY-YHJVAAGRSA-N 2 2 200.713 1.232 10 0 BDAELP C[N@@H+]1C[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1 ZINC000193596829 173197974 /nfs/dbraw/zinc/19/79/74/173197974.db2.gz TVIXOVYFPSBSAY-YHJVAAGRSA-N 2 2 200.713 1.232 10 0 BDAELP C[NH+]1C[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2C1 ZINC000193596829 173197975 /nfs/dbraw/zinc/19/79/75/173197975.db2.gz TVIXOVYFPSBSAY-YHJVAAGRSA-N 2 2 200.713 1.232 10 0 BDAELP C[NH+]1C[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2C1 ZINC000193596829 173197977 /nfs/dbraw/zinc/19/79/77/173197977.db2.gz TVIXOVYFPSBSAY-YHJVAAGRSA-N 2 2 200.713 1.232 10 0 BDAELP C[NH2+]CC[N@H+](C)CCc1ccc2oc(C)nc2c1 ZINC000077418232 173352982 /nfs/dbraw/zinc/35/29/82/173352982.db2.gz VCAZYTHPXNTSQY-UHFFFAOYSA-N 2 2 247.342 1.830 10 0 BDAELP C[NH2+]CC[N@@H+](C)CCc1ccc2oc(C)nc2c1 ZINC000077418232 173352983 /nfs/dbraw/zinc/35/29/83/173352983.db2.gz VCAZYTHPXNTSQY-UHFFFAOYSA-N 2 2 247.342 1.830 10 0 BDAELP C[NH2+]C[C@]1(C[N@H+](C)Cc2ccncc2)CCOC1 ZINC000051218221 173384011 /nfs/dbraw/zinc/38/40/11/173384011.db2.gz WQWZQKCAJZJDTR-AWEZNQCLSA-N 2 2 249.358 1.140 10 0 BDAELP C[NH2+]C[C@]1(C[N@@H+](C)Cc2ccncc2)CCOC1 ZINC000051218221 173384012 /nfs/dbraw/zinc/38/40/12/173384012.db2.gz WQWZQKCAJZJDTR-AWEZNQCLSA-N 2 2 249.358 1.140 10 0 BDAELP C[NH2+]Cc1cc(C[NH+]2CCOCC2)oc1C ZINC000052377763 173386522 /nfs/dbraw/zinc/38/65/22/173386522.db2.gz GMJKGQIUPZUXGN-UHFFFAOYSA-N 2 2 224.304 1.140 10 0 BDAELP COCC[N@H+](C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972456 174282161 /nfs/dbraw/zinc/28/21/61/174282161.db2.gz BLKDEKBGZNRTBB-ZWNOBZJWSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042972456 174282164 /nfs/dbraw/zinc/28/21/64/174282164.db2.gz BLKDEKBGZNRTBB-ZWNOBZJWSA-N 2 2 240.322 1.792 10 0 BDAELP COCC[N@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000041241200 174282511 /nfs/dbraw/zinc/28/25/11/174282511.db2.gz RLLDFGPMAPMVCY-ZDUSSCGKSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@@H+](C)[C@@H](C[NH3+])c1ccccc1C ZINC000041241200 174282512 /nfs/dbraw/zinc/28/25/12/174282512.db2.gz RLLDFGPMAPMVCY-ZDUSSCGKSA-N 2 2 222.332 1.573 10 0 BDAELP COCC[N@H+](C)[C@H](C[NH3+])c1cc(C)ccc1C ZINC000049670542 174284290 /nfs/dbraw/zinc/28/42/90/174284290.db2.gz ILSQESOBDXIKFD-CQSZACIVSA-N 2 2 236.359 1.881 10 0 BDAELP COCC[N@@H+](C)[C@H](C[NH3+])c1cc(C)ccc1C ZINC000049670542 174284291 /nfs/dbraw/zinc/28/42/91/174284291.db2.gz ILSQESOBDXIKFD-CQSZACIVSA-N 2 2 236.359 1.881 10 0 BDAELP COCC[N@H+](C[C@H]([NH3+])C(C)(C)C)[C@H](C)COC ZINC000042607191 174296960 /nfs/dbraw/zinc/29/69/60/174296960.db2.gz WGIHYEGOABEWJQ-NEPJUHHUSA-N 2 2 246.395 1.343 10 0 BDAELP COCC[N@@H+](C[C@H]([NH3+])C(C)(C)C)[C@H](C)COC ZINC000042607191 174296962 /nfs/dbraw/zinc/29/69/62/174296962.db2.gz WGIHYEGOABEWJQ-NEPJUHHUSA-N 2 2 246.395 1.343 10 0 BDAELP COc1ccc(C(C)C)cc1[C@H]([NH3+])C[NH3+] ZINC000044472855 175069183 /nfs/dbraw/zinc/06/91/83/175069183.db2.gz LCDJSMQXWVALGC-LLVKDONJSA-N 2 2 208.305 1.777 10 0 BDAELP COc1ccc(CC[C@@H]([NH3+])Cc2[nH]cc[nH+]2)cc1 ZINC000036946774 175092556 /nfs/dbraw/zinc/09/25/56/175092556.db2.gz UOTQCGMCBVJORV-GFCCVEGCSA-N 2 2 245.326 1.921 10 0 BDAELP COc1ccc(CC[C@H]([NH3+])Cc2[nH]cc[nH+]2)cc1 ZINC000036946773 175093829 /nfs/dbraw/zinc/09/38/29/175093829.db2.gz UOTQCGMCBVJORV-LBPRGKRZSA-N 2 2 245.326 1.921 10 0 BDAELP COc1ccc(C[N@@H+]2CC[NH2+]C[C@H](C)C2)cn1 ZINC000062076244 175101878 /nfs/dbraw/zinc/10/18/78/175101878.db2.gz LCNKWAJZARSHNP-NSHDSACASA-N 2 2 235.331 1.132 10 0 BDAELP COc1ccc(C[N@H+]2CC[NH2+]C[C@H](C)C2)cn1 ZINC000062076244 175101880 /nfs/dbraw/zinc/10/18/80/175101880.db2.gz LCNKWAJZARSHNP-NSHDSACASA-N 2 2 235.331 1.132 10 0 BDAELP COc1cccc([C@@H]([C@@H](C)[NH3+])n2cc[nH+]c2)c1 ZINC000043028758 175289656 /nfs/dbraw/zinc/28/96/56/175289656.db2.gz GKWRMOWNVPNADO-ZWNOBZJWSA-N 2 2 231.299 1.828 10 0 BDAELP COc1ccccc1[C@H]([NH3+])C[NH+]1CCCC1 ZINC000023067695 175353276 /nfs/dbraw/zinc/35/32/76/175353276.db2.gz XJQWGNQUZKBZKS-GFCCVEGCSA-N 2 2 220.316 1.791 10 0 BDAELP C[C@@H]1C[N@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062609107 176293892 /nfs/dbraw/zinc/29/38/92/176293892.db2.gz SNKKUTIVSPRLGG-CYBMUJFWSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@@H]1C[N@@H+](CCc2ccccc2)CCC[NH2+]1 ZINC000062609107 176293893 /nfs/dbraw/zinc/29/38/93/176293893.db2.gz SNKKUTIVSPRLGG-CYBMUJFWSA-N 2 2 218.344 1.913 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCN12 ZINC000096984031 176330287 /nfs/dbraw/zinc/33/02/87/176330287.db2.gz SEYGKUIPYQGYRN-HIFRSBDPSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@@H]1C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCN12 ZINC000096984031 176330289 /nfs/dbraw/zinc/33/02/89/176330289.db2.gz SEYGKUIPYQGYRN-HIFRSBDPSA-N 2 2 245.370 1.165 10 0 BDAELP C[C@@H]1COCC[N@@H+]1[C@@H](C[NH3+])C1CCCCC1 ZINC000035774496 176337511 /nfs/dbraw/zinc/33/75/11/176337511.db2.gz ZDTIXICUFNELQA-YPMHNXCESA-N 2 2 226.364 1.615 10 0 BDAELP C[C@@H]1COCC[N@H+]1[C@@H](C[NH3+])C1CCCCC1 ZINC000035774496 176337513 /nfs/dbraw/zinc/33/75/13/176337513.db2.gz ZDTIXICUFNELQA-YPMHNXCESA-N 2 2 226.364 1.615 10 0 BDAELP C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021365 177103465 /nfs/dbraw/zinc/10/34/65/177103465.db2.gz MJAYBHLTRCGYOP-AAEUAGOBSA-N 2 2 219.332 1.813 10 0 BDAELP C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021365 177103466 /nfs/dbraw/zinc/10/34/66/177103466.db2.gz MJAYBHLTRCGYOP-AAEUAGOBSA-N 2 2 219.332 1.813 10 0 BDAELP C[C@H]1CC[NH+](C2CC[NH+](C)CC2)CC[C@H](C)[NH2+]1 ZINC000049665936 177157782 /nfs/dbraw/zinc/15/77/82/177157782.db2.gz WBBUZQMNIMVBKX-STQMWFEESA-N 3 2 239.407 1.543 10 0 BDAELP C[C@H]1CC[N@H+](Cc2ccncc2)[C@@H](C[NH3+])C1 ZINC000235613503 177167091 /nfs/dbraw/zinc/16/70/91/177167091.db2.gz LNJFYCTWRFQUJI-WCQYABFASA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2ccncc2)[C@@H](C[NH3+])C1 ZINC000235613503 177167092 /nfs/dbraw/zinc/16/70/92/177167092.db2.gz LNJFYCTWRFQUJI-WCQYABFASA-N 2 2 219.332 1.641 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@@H+]1CCOc1ccccc1 ZINC000062617320 177174472 /nfs/dbraw/zinc/17/44/72/177174472.db2.gz YIOJNCDTUNUICU-ZDUSSCGKSA-N 2 2 234.343 1.749 10 0 BDAELP C[C@H]1CC[NH2+]CC[N@H+]1CCOc1ccccc1 ZINC000062617320 177174474 /nfs/dbraw/zinc/17/44/74/177174474.db2.gz YIOJNCDTUNUICU-ZDUSSCGKSA-N 2 2 234.343 1.749 10 0 BDAELP C[C@H]1C[NH+](C2(C[NH3+])CCCC2)C[C@H](C)O1 ZINC000019434365 177240534 /nfs/dbraw/zinc/24/05/34/177240534.db2.gz PJDOVJXOBKETJS-QWRGUYRKSA-N 2 2 212.337 1.367 10 0 BDAELP C[C@H]1C[N@H+](CCCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071563505 177249548 /nfs/dbraw/zinc/24/95/48/177249548.db2.gz ZAULHXQRBFCTKV-ZFWWWQNUSA-N 2 2 248.370 1.667 10 0 BDAELP C[C@H]1C[N@@H+](CCCc2ccccc2)C[C@H](C[NH3+])O1 ZINC000071563505 177249550 /nfs/dbraw/zinc/24/95/50/177249550.db2.gz ZAULHXQRBFCTKV-ZFWWWQNUSA-N 2 2 248.370 1.667 10 0 BDAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000019259005 177273576 /nfs/dbraw/zinc/27/35/76/177273576.db2.gz ACWAQFIVDLTADN-AAEUAGOBSA-N 2 2 226.364 1.615 10 0 BDAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000019259005 177273578 /nfs/dbraw/zinc/27/35/78/177273578.db2.gz ACWAQFIVDLTADN-AAEUAGOBSA-N 2 2 226.364 1.615 10 0 BDAELP COc1ccc(N[C@H]2CCC[NH2+]CC2)[nH+]c1 ZINC000226471883 487752840 /nfs/dbraw/zinc/75/28/40/487752840.db2.gz VLNBKLHBRLWHPH-JTQLQIEISA-N 2 2 221.304 1.644 10 0 BDAELP C([NH2+]C[C@@H]1CC[NH2+]C1)c1nc2c(s1)CCC2 ZINC000666845548 487889448 /nfs/dbraw/zinc/88/94/48/487889448.db2.gz IQIUAZREVJFOCD-SECBINFHSA-N 2 2 237.372 1.331 10 0 BDAELP Cc1cc(N[C@H](CC[NH3+])C(F)F)nc[nH+]1 ZINC000394773153 323108568 /nfs/dbraw/zinc/10/85/68/323108568.db2.gz GKFUOHYVTQOGRG-SSDOTTSWSA-N 2 2 216.235 1.179 10 0 BDAELP Cc1cc(C)cc(OCC[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235635097 487995430 /nfs/dbraw/zinc/99/54/30/487995430.db2.gz LRCYZSDRMSVZTP-ZFWWWQNUSA-N 2 2 248.370 1.961 10 0 BDAELP Cc1cc(C)cc(OCC[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000235635097 487995434 /nfs/dbraw/zinc/99/54/34/487995434.db2.gz LRCYZSDRMSVZTP-ZFWWWQNUSA-N 2 2 248.370 1.961 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668240496 487532092 /nfs/dbraw/zinc/53/20/92/487532092.db2.gz KHHRPCHYHKTZGJ-RWMBFGLXSA-N 2 2 224.348 1.238 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000668240496 487532101 /nfs/dbraw/zinc/53/21/01/487532101.db2.gz KHHRPCHYHKTZGJ-RWMBFGLXSA-N 2 2 224.348 1.238 10 0 BDAELP C[C@H]([NH2+]CC[N@H+](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400318150 533855346 /nfs/dbraw/zinc/85/53/46/533855346.db2.gz AULDSAYYCLLPOH-QWHCGFSZSA-N 3 2 239.407 1.448 10 0 BDAELP C[C@H]([NH2+]CC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000400318150 533855349 /nfs/dbraw/zinc/85/53/49/533855349.db2.gz AULDSAYYCLLPOH-QWHCGFSZSA-N 3 2 239.407 1.448 10 0 BDAELP c1ccc([C@@H]2CCOC3(CC[NH2+]CC3)[NH2+]2)cc1 ZINC000757140585 582520964 /nfs/dbraw/zinc/52/09/64/582520964.db2.gz NKXCQHDBMKBVPC-ZDUSSCGKSA-N 2 2 232.327 1.817 10 0 BDAELP CC(C)(C)[C@H]1C[NH2+][C@]2(CCC[NH2+]C2)OC1 ZINC000757143746 582524119 /nfs/dbraw/zinc/52/41/19/582524119.db2.gz FFJZRDSTNKTANX-CMPLNLGQSA-N 2 2 212.337 1.348 10 0 BDAELP [NH3+][C@@H]1CCC[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757217815 582561934 /nfs/dbraw/zinc/56/19/34/582561934.db2.gz SQEHKOFJMCHYHT-DGCLKSJQSA-N 2 2 215.300 1.920 10 0 BDAELP c1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)n[nH]1 ZINC000188406807 582674023 /nfs/dbraw/zinc/67/40/23/582674023.db2.gz GDMHTRSBKHLZRB-GFCCVEGCSA-N 2 2 231.303 1.271 10 0 BDAELP c1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)n[nH]1 ZINC000188406807 582674025 /nfs/dbraw/zinc/67/40/25/582674025.db2.gz GDMHTRSBKHLZRB-GFCCVEGCSA-N 2 2 231.303 1.271 10 0 BDAELP Cc1ccc[nH+]c1CCn1cc[nH+]c1N ZINC000702622471 582926283 /nfs/dbraw/zinc/92/62/83/582926283.db2.gz OCWZXCXOZGDHDS-UHFFFAOYSA-N 2 2 202.261 1.411 10 0 BDAELP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675053870 583928774 /nfs/dbraw/zinc/92/87/74/583928774.db2.gz OWCMWESDBBMSJW-TZMCWYRMSA-N 3 2 239.407 1.530 10 0 BDAELP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C[NH3+])C1 ZINC000675053870 583928775 /nfs/dbraw/zinc/92/87/75/583928775.db2.gz OWCMWESDBBMSJW-TZMCWYRMSA-N 3 2 239.407 1.530 10 0 BDAELP C[C@@H]1C[C@@H](c2ccc(C=O)s2)[NH2+]C[C@H]1[NH3+] ZINC000757210648 586438479 /nfs/dbraw/zinc/43/84/79/586438479.db2.gz GMAQZPAKPPXIOM-QNSHHTMESA-N 2 2 224.329 1.558 10 0 BDAELP C[C@@H]1[NH2+][C@@H](c2cccc(C=O)c2)CC[C@H]1[NH3+] ZINC000757217465 586441670 /nfs/dbraw/zinc/44/16/70/586441670.db2.gz RUMWKIWYBQBFRZ-ZWKOPEQDSA-N 2 2 218.300 1.639 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CSC1(C)C ZINC000306950222 643299427 /nfs/dbraw/zinc/29/94/27/643299427.db2.gz YDSVYWFLBZATAV-IVZWLZJFSA-N 2 2 214.378 1.611 10 0 BDAELP C[C@@H]1C[C@H]([NH3+])C[NH2+][C@@H]1c1cccc(C=O)c1 ZINC000757211082 643371397 /nfs/dbraw/zinc/37/13/97/643371397.db2.gz FYCKVCJQZMIGGO-ICCXJUOJSA-N 2 2 218.300 1.497 10 0 BDAELP C[C@@H]1C[N@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000708341355 712188856 /nfs/dbraw/zinc/18/88/56/712188856.db2.gz RWNABHMWWQEAOI-VWYCJHECSA-N 2 2 212.337 1.081 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000708341355 712188859 /nfs/dbraw/zinc/18/88/59/712188859.db2.gz RWNABHMWWQEAOI-VWYCJHECSA-N 2 2 212.337 1.081 10 0 BDAELP C([NH2+]C1CC[NH2+]CC1)c1nc2c(s1)CCC2 ZINC000719560216 712809439 /nfs/dbraw/zinc/80/94/39/712809439.db2.gz LREMUXOLJUTEDU-UHFFFAOYSA-N 2 2 237.372 1.473 10 0 BDAELP Cc1cc(C)[nH+]c(CN2CCC[C@H]2C[NH3+])c1 ZINC000723613584 711525894 /nfs/dbraw/zinc/52/58/94/711525894.db2.gz FHKKCMSIZCYHHM-ZDUSSCGKSA-N 2 2 219.332 1.622 10 0 BDAELP C[C@H]1C[N@H+](CC=C(Cl)Cl)C[C@H]1C[NH3+] ZINC000708852856 712201179 /nfs/dbraw/zinc/20/11/79/712201179.db2.gz CAIBKAPQHIYBOC-JGVFFNPUSA-N 2 2 223.147 1.832 10 0 BDAELP C[C@H]1C[N@@H+](CC=C(Cl)Cl)C[C@H]1C[NH3+] ZINC000708852856 712201180 /nfs/dbraw/zinc/20/11/80/712201180.db2.gz CAIBKAPQHIYBOC-JGVFFNPUSA-N 2 2 223.147 1.832 10 0 BDAELP CC(C)c1cnc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000708874099 712201989 /nfs/dbraw/zinc/20/19/89/712201989.db2.gz CQRDVBPAGNVFIW-QWRGUYRKSA-N 2 2 237.347 1.825 10 0 BDAELP CC(C)c1cnc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)o1 ZINC000708874099 712201993 /nfs/dbraw/zinc/20/19/93/712201993.db2.gz CQRDVBPAGNVFIW-QWRGUYRKSA-N 2 2 237.347 1.825 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1[NH3+] ZINC000712440195 712430047 /nfs/dbraw/zinc/43/00/47/712430047.db2.gz YZYSEEXMRQOSTR-UTUOFQBUSA-N 2 2 224.348 1.367 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCC3)O2)C[C@@H]1[NH3+] ZINC000712440195 712430048 /nfs/dbraw/zinc/43/00/48/712430048.db2.gz YZYSEEXMRQOSTR-UTUOFQBUSA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715425370 712518837 /nfs/dbraw/zinc/51/88/37/712518837.db2.gz KLDDPIBWEADNNC-AVGNSLFASA-N 2 2 224.348 1.367 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715425370 712518839 /nfs/dbraw/zinc/51/88/39/712518839.db2.gz KLDDPIBWEADNNC-AVGNSLFASA-N 2 2 224.348 1.367 10 0 BDAELP C[C@H]1[C@@H]([NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC000719576778 712811586 /nfs/dbraw/zinc/81/15/86/712811586.db2.gz BNXHRSOMALOOEB-JSGCOSHPSA-N 2 2 218.344 1.911 10 0 BDAELP C[C@H]1[C@@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000719576778 712811587 /nfs/dbraw/zinc/81/15/87/712811587.db2.gz BNXHRSOMALOOEB-JSGCOSHPSA-N 2 2 218.344 1.911 10 0 BDAELP C[C@@H]1[C@H]([NH2+]CCc2ccccc2)CC[N@@H+]1C ZINC000719576780 712811992 /nfs/dbraw/zinc/81/19/92/712811992.db2.gz BNXHRSOMALOOEB-TZMCWYRMSA-N 2 2 218.344 1.911 10 0 BDAELP C[C@@H]1[C@H]([NH2+]CCc2ccccc2)CC[N@H+]1C ZINC000719576780 712811993 /nfs/dbraw/zinc/81/19/93/712811993.db2.gz BNXHRSOMALOOEB-TZMCWYRMSA-N 2 2 218.344 1.911 10 0 BDAELP [NH3+]CC[N@@H+]1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616612005 349469748 /nfs/dbraw/zinc/46/97/48/349469748.db2.gz LALZZWXZBKGNJF-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP [NH3+]CC[N@H+]1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616612005 349469751 /nfs/dbraw/zinc/46/97/51/349469751.db2.gz LALZZWXZBKGNJF-CQSZACIVSA-N 2 2 241.338 1.983 10 0 BDAELP CCC(CC)(C[NH3+])[N@H+](C)CC1CC[NH+](C)CC1 ZINC000063120331 168323411 /nfs/dbraw/zinc/32/34/11/168323411.db2.gz DWJXGQBLPSSUIR-UHFFFAOYSA-N 3 2 241.423 1.778 10 0 BDAELP CCC(CC)(C[NH3+])[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063120331 168323412 /nfs/dbraw/zinc/32/34/12/168323412.db2.gz DWJXGQBLPSSUIR-UHFFFAOYSA-N 3 2 241.423 1.778 10 0 BDAELP Cc1nc(C[NH+]2CCC2)sc1[C@@H](C)[NH3+] ZINC000307488660 398171408 /nfs/dbraw/zinc/17/14/08/398171408.db2.gz WTKGIJQPRVVULV-SSDOTTSWSA-N 2 2 211.334 1.677 10 0 BDAELP C[C@]1([C@@H]2CCC[NH2+]C2)[NH2+]CCCS1 ZINC000575517203 398174260 /nfs/dbraw/zinc/17/42/60/398174260.db2.gz IKQVZBDQKBOORL-ZJUUUORDSA-N 2 2 200.351 1.429 10 0 BDAELP [NH3+]CC[N@@H+]1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616615337 398174387 /nfs/dbraw/zinc/17/43/87/398174387.db2.gz VUSSPNHPCFMXMP-CQSZACIVSA-N 2 2 234.343 1.665 10 0 BDAELP [NH3+]CC[N@H+]1CCCC[C@@H]1c1cccc(CO)c1 ZINC000616615337 398174392 /nfs/dbraw/zinc/17/43/92/398174392.db2.gz VUSSPNHPCFMXMP-CQSZACIVSA-N 2 2 234.343 1.665 10 0 BDAELP Cc1cc(NCCCn2cc[nH+]c2)[nH+]cc1N ZINC000036245018 178159414 /nfs/dbraw/zinc/15/94/14/178159414.db2.gz XNENNXVBHLDVMI-UHFFFAOYSA-N 2 2 231.303 1.671 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1csc(Br)c1 ZINC000306642148 361757304 /nfs/dbraw/zinc/75/73/04/361757304.db2.gz RUZJZPVSKRSJSQ-ZCFIWIBFSA-N 2 2 235.150 1.730 10 0 BDAELP [NH3+][C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381611507 398254091 /nfs/dbraw/zinc/25/40/91/398254091.db2.gz ISURXSGUBWHHEO-NXEZZACHSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000381611507 398254095 /nfs/dbraw/zinc/25/40/95/398254095.db2.gz ISURXSGUBWHHEO-NXEZZACHSA-N 2 2 218.291 1.845 10 0 BDAELP CCC(CC)[N@H+](CC[NH3+])CC(=O)N(CC)CC ZINC000104318433 168372700 /nfs/dbraw/zinc/37/27/00/168372700.db2.gz JBQVVNVULJRUMT-UHFFFAOYSA-N 2 2 243.395 1.304 10 0 BDAELP CCC(CC)[N@@H+](CC[NH3+])CC(=O)N(CC)CC ZINC000104318433 168372702 /nfs/dbraw/zinc/37/27/02/168372702.db2.gz JBQVVNVULJRUMT-UHFFFAOYSA-N 2 2 243.395 1.304 10 0 BDAELP COCC(C)(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386289424 398264983 /nfs/dbraw/zinc/26/49/83/398264983.db2.gz HLYMAZJCKGCDLC-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP COCC(C)(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386289424 398264984 /nfs/dbraw/zinc/26/49/84/398264984.db2.gz HLYMAZJCKGCDLC-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP c1cn([C@H]2CCC[C@H]2[NH2+]CC2CC2)c[nH+]1 ZINC000037107277 538961663 /nfs/dbraw/zinc/96/16/63/538961663.db2.gz PMSLNGFNSCQINB-NEPJUHHUSA-N 2 2 205.305 1.976 10 0 BDAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2csnn2)c[nH+]1 ZINC000188404360 538978554 /nfs/dbraw/zinc/97/85/54/538978554.db2.gz UIPREQNAJTUCTI-LLVKDONJSA-N 2 2 249.343 1.399 10 0 BDAELP c1cn(C[C@H]2CCC[N@H+]2Cc2csnn2)c[nH+]1 ZINC000188404360 538978555 /nfs/dbraw/zinc/97/85/55/538978555.db2.gz UIPREQNAJTUCTI-LLVKDONJSA-N 2 2 249.343 1.399 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000394529138 342805204 /nfs/dbraw/zinc/80/52/04/342805204.db2.gz PFDXUTDXUYUUPD-WMDQRADGSA-N 2 2 202.729 1.941 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC000394529138 342805205 /nfs/dbraw/zinc/80/52/05/342805205.db2.gz PFDXUTDXUYUUPD-WMDQRADGSA-N 2 2 202.729 1.941 10 0 BDAELP c1[nH+]cn(Cc2ccccc2)c1[C@@H]1C[NH2+]CCO1 ZINC000097007736 344004173 /nfs/dbraw/zinc/00/41/73/344004173.db2.gz MPCPHUKHVZHGAW-AWEZNQCLSA-N 2 2 243.310 1.592 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(C)c(Br)c1 ZINC000164868858 342853775 /nfs/dbraw/zinc/85/37/75/342853775.db2.gz DBXBFDJEIRMZHO-SNVBAGLBSA-N 2 2 243.148 1.977 10 0 BDAELP CN(c1ccc(N)[nH+]c1)C1CC[NH+](C)CC1 ZINC000019868323 343139854 /nfs/dbraw/zinc/13/98/54/343139854.db2.gz BHUWOSXUOYPFSZ-UHFFFAOYSA-N 2 2 220.320 1.194 10 0 BDAELP C[C@H](c1nccs1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000070634703 343141415 /nfs/dbraw/zinc/14/14/15/343141415.db2.gz AXCMZDZIGLGXPP-RKDXNWHRSA-N 2 2 211.334 1.485 10 0 BDAELP C[C@H](c1nccs1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000070634703 343141417 /nfs/dbraw/zinc/14/14/17/343141417.db2.gz AXCMZDZIGLGXPP-RKDXNWHRSA-N 2 2 211.334 1.485 10 0 BDAELP COc1cccc2c1CC[C@@H]1C[N@H+](CC[NH3+])C[C@H]21 ZINC000039078530 343381391 /nfs/dbraw/zinc/38/13/91/343381391.db2.gz MBNLVNWVBKNFGI-RISCZKNCSA-N 2 2 246.354 1.616 10 0 BDAELP COc1cccc2c1CC[C@@H]1C[N@@H+](CC[NH3+])C[C@H]21 ZINC000039078530 343381394 /nfs/dbraw/zinc/38/13/94/343381394.db2.gz MBNLVNWVBKNFGI-RISCZKNCSA-N 2 2 246.354 1.616 10 0 BDAELP C[C@H](O)C[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000040671391 343408499 /nfs/dbraw/zinc/40/84/99/343408499.db2.gz YVZVBESUFXMARG-ZFWWWQNUSA-N 2 2 248.370 1.274 10 0 BDAELP C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000040671391 343408500 /nfs/dbraw/zinc/40/85/00/343408500.db2.gz YVZVBESUFXMARG-ZFWWWQNUSA-N 2 2 248.370 1.274 10 0 BDAELP C[C@H]1C[NH2+]C[C@H]([NH+]2CCSCC2)C1 ZINC000401956745 344082347 /nfs/dbraw/zinc/08/23/47/344082347.db2.gz PBRGPUOWIPQJKO-NXEZZACHSA-N 2 2 200.351 1.033 10 0 BDAELP C[C@H](c1ccccn1)[N@@H+]1CCC[C@H]1C[NH3+] ZINC000247963384 344992776 /nfs/dbraw/zinc/99/27/76/344992776.db2.gz GIMFWFPUAQUKAV-MNOVXSKESA-N 2 2 205.305 1.566 10 0 BDAELP C[C@H](c1ccccn1)[N@H+]1CCC[C@H]1C[NH3+] ZINC000247963384 344992779 /nfs/dbraw/zinc/99/27/79/344992779.db2.gz GIMFWFPUAQUKAV-MNOVXSKESA-N 2 2 205.305 1.566 10 0 BDAELP C[C@H](c1cccc2ncccc21)[C@H]([NH3+])C[NH3+] ZINC000141796805 345861295 /nfs/dbraw/zinc/86/12/95/345861295.db2.gz WGOAVGXHEPZJMZ-BXKDBHETSA-N 2 2 215.300 1.624 10 0 BDAELP Nc1ccc2[nH+]cn(CC[NH+]3CCCC3)c2c1 ZINC000034544494 345831477 /nfs/dbraw/zinc/83/14/77/345831477.db2.gz WHHFSLVQKHLXFI-UHFFFAOYSA-N 2 2 230.315 1.714 10 0 BDAELP CCC[NH+](CCC)C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1 ZINC000669378718 537970880 /nfs/dbraw/zinc/97/08/80/537970880.db2.gz JTJZMFOBHJIMGP-OLZOCXBDSA-N 3 2 227.396 1.293 10 0 BDAELP Cc1cccc(OCC[C@H](C[NH3+])[NH+](C)C)c1C ZINC000019663838 179169494 /nfs/dbraw/zinc/16/94/94/179169494.db2.gz VHQLTALFHAUYDA-CYBMUJFWSA-N 2 2 236.359 1.961 10 0 BDAELP CC[NH+](CC)CCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000191507236 347353001 /nfs/dbraw/zinc/35/30/01/347353001.db2.gz VDBQHIMWZSDLCC-STQMWFEESA-N 2 2 228.380 1.828 10 0 BDAELP Cc1ccccc1C[N@@H+](C)[C@]1(C[NH3+])CCOC1 ZINC000104070770 179268548 /nfs/dbraw/zinc/26/85/48/179268548.db2.gz QVFQKUBXALBMOZ-AWEZNQCLSA-N 2 2 234.343 1.545 10 0 BDAELP Cc1ccccc1C[N@H+](C)[C@]1(C[NH3+])CCOC1 ZINC000104070770 179268551 /nfs/dbraw/zinc/26/85/51/179268551.db2.gz QVFQKUBXALBMOZ-AWEZNQCLSA-N 2 2 234.343 1.545 10 0 BDAELP Cc1ccccc1NC(=O)C[N@@H+](C)C[C@H](C)C[NH3+] ZINC000042455921 179299134 /nfs/dbraw/zinc/29/91/34/179299134.db2.gz UPFWSWGJFXJWGB-LLVKDONJSA-N 2 2 249.358 1.460 10 0 BDAELP Cc1ccccc1NC(=O)C[N@H+](C)C[C@H](C)C[NH3+] ZINC000042455921 179299136 /nfs/dbraw/zinc/29/91/36/179299136.db2.gz UPFWSWGJFXJWGB-LLVKDONJSA-N 2 2 249.358 1.460 10 0 BDAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@H+](CCO)C1CC1 ZINC000043037123 179347683 /nfs/dbraw/zinc/34/76/83/179347683.db2.gz MFDFWDSDOIEKIJ-WFASDCNBSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1ccccc1[C@H]([C@H](C)[NH3+])[N@@H+](CCO)C1CC1 ZINC000043037123 179347686 /nfs/dbraw/zinc/34/76/86/179347686.db2.gz MFDFWDSDOIEKIJ-WFASDCNBSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccnc1C[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235343768 179376783 /nfs/dbraw/zinc/37/67/83/179376783.db2.gz XVZRLTPPYZDAFL-DGCLKSJQSA-N 2 2 233.359 1.949 10 0 BDAELP Cc1cccnc1C[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000235343768 179376785 /nfs/dbraw/zinc/37/67/85/179376785.db2.gz XVZRLTPPYZDAFL-DGCLKSJQSA-N 2 2 233.359 1.949 10 0 BDAELP C[C@@H]1CC[N@H+](Cc2ccsc2)C[C@H]1[NH3+] ZINC000251818538 362928461 /nfs/dbraw/zinc/92/84/61/362928461.db2.gz ZMXGYVVWJPVUBQ-MWLCHTKSSA-N 2 2 210.346 1.917 10 0 BDAELP C[C@@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1[NH3+] ZINC000251818538 362928466 /nfs/dbraw/zinc/92/84/66/362928466.db2.gz ZMXGYVVWJPVUBQ-MWLCHTKSSA-N 2 2 210.346 1.917 10 0 BDAELP CC(C)C[NH2+][C@H]1C2CC[NH+](CC2)C12CC2 ZINC000616577801 349119338 /nfs/dbraw/zinc/11/93/38/349119338.db2.gz MGHZXIPHUNNROC-LBPRGKRZSA-N 2 2 208.349 1.859 10 0 BDAELP Cc1[nH+]c(C(C)C)nc(N2CC[C@H]([NH3+])C2)c1C ZINC000045954601 179895760 /nfs/dbraw/zinc/89/57/60/179895760.db2.gz GSYAEGBLKCTGMF-NSHDSACASA-N 2 2 234.347 1.754 10 0 BDAELP Cc1nc([C@H]2[C@H](C[NH3+])CC[N@H+]2C)cs1 ZINC000082964337 180058098 /nfs/dbraw/zinc/05/80/98/180058098.db2.gz ZZULXWVXPBMBQU-WCBMZHEXSA-N 2 2 211.334 1.403 10 0 BDAELP Cc1nc([C@H]2[C@H](C[NH3+])CC[N@@H+]2C)cs1 ZINC000082964337 180058101 /nfs/dbraw/zinc/05/81/01/180058101.db2.gz ZZULXWVXPBMBQU-WCBMZHEXSA-N 2 2 211.334 1.403 10 0 BDAELP Cc1nc(N[C@H]2CCC[N@@H+](C)C2)cc[nH+]1 ZINC000054936100 180206161 /nfs/dbraw/zinc/20/61/61/180206161.db2.gz VJVHZNWFNQYJCD-JTQLQIEISA-N 2 2 206.293 1.291 10 0 BDAELP Cc1nc(N[C@H]2CCC[N@H+](C)C2)cc[nH+]1 ZINC000054936100 180206163 /nfs/dbraw/zinc/20/61/63/180206163.db2.gz VJVHZNWFNQYJCD-JTQLQIEISA-N 2 2 206.293 1.291 10 0 BDAELP Cc1nccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000044994829 180186296 /nfs/dbraw/zinc/18/62/96/180186296.db2.gz KHJGEUYPYPMNQX-GXSJLCMTSA-N 2 2 220.320 1.097 10 0 BDAELP Cc1nccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)n1 ZINC000044994829 180186299 /nfs/dbraw/zinc/18/62/99/180186299.db2.gz KHJGEUYPYPMNQX-GXSJLCMTSA-N 2 2 220.320 1.097 10 0 BDAELP Cc1[nH+]cccc1N[C@H](C)C[C@H]1COCC[NH2+]1 ZINC000134072390 180227482 /nfs/dbraw/zinc/22/74/82/180227482.db2.gz NPCYWGWTFXMNLW-PWSUYJOCSA-N 2 2 235.331 1.569 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cocn1 ZINC000191948325 180266062 /nfs/dbraw/zinc/26/60/62/180266062.db2.gz LNINELLPRLQCFQ-ZDUSSCGKSA-N 2 2 246.314 1.844 10 0 BDAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cocn1 ZINC000191948325 180266068 /nfs/dbraw/zinc/26/60/68/180266068.db2.gz LNINELLPRLQCFQ-ZDUSSCGKSA-N 2 2 246.314 1.844 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324624426 350308564 /nfs/dbraw/zinc/30/85/64/350308564.db2.gz QPCPTKCTTZFZPE-MNOVXSKESA-N 2 2 214.353 1.077 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324624426 350308566 /nfs/dbraw/zinc/30/85/66/350308566.db2.gz QPCPTKCTTZFZPE-MNOVXSKESA-N 2 2 214.353 1.077 10 0 BDAELP Cc1cc[nH+]c(N)c1C(=O)C(C)(C)C[NH3+] ZINC000226788327 350454607 /nfs/dbraw/zinc/45/46/07/350454607.db2.gz SPMOUNVUYBGCKZ-UHFFFAOYSA-N 2 2 207.277 1.140 10 0 BDAELP CNc1ccc([C@H]2C[N@H+](CC[NH3+])CCCO2)cc1 ZINC000616597251 350650399 /nfs/dbraw/zinc/65/03/99/350650399.db2.gz CBEAHCSOBDOLHK-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1ccc([C@H]2C[N@@H+](CC[NH3+])CCCO2)cc1 ZINC000616597251 350650402 /nfs/dbraw/zinc/65/04/02/350650402.db2.gz CBEAHCSOBDOLHK-CQSZACIVSA-N 2 2 249.358 1.450 10 0 BDAELP CNc1cccc([C@H]2CCC[N@@H+]2CC[NH3+])c1 ZINC000616607598 350800924 /nfs/dbraw/zinc/80/09/24/350800924.db2.gz KKYIBOATDZIFDS-CYBMUJFWSA-N 2 2 219.332 1.824 10 0 BDAELP CNc1cccc([C@H]2CCC[N@H+]2CC[NH3+])c1 ZINC000616607598 350800925 /nfs/dbraw/zinc/80/09/25/350800925.db2.gz KKYIBOATDZIFDS-CYBMUJFWSA-N 2 2 219.332 1.824 10 0 BDAELP Nc1cccc([C@@H]2CCCCN2CC[NH3+])[nH+]1 ZINC000616616124 350854000 /nfs/dbraw/zinc/85/40/00/350854000.db2.gz IHCPGQNJEVTGRG-NSHDSACASA-N 2 2 220.320 1.150 10 0 BDAELP COc1ccc([C@@H]2CCC[N@H+](CC[NH3+])C2)cc1 ZINC000616619827 350928527 /nfs/dbraw/zinc/92/85/27/350928527.db2.gz BBTVDYMKGKFSSI-CYBMUJFWSA-N 2 2 234.343 1.833 10 0 BDAELP COc1ccc([C@@H]2CCC[N@@H+](CC[NH3+])C2)cc1 ZINC000616619827 350928529 /nfs/dbraw/zinc/92/85/29/350928529.db2.gz BBTVDYMKGKFSSI-CYBMUJFWSA-N 2 2 234.343 1.833 10 0 BDAELP [NH3+]CC[C@H]([NH3+])c1ccc(Br)o1 ZINC000306744745 350933577 /nfs/dbraw/zinc/93/35/77/350933577.db2.gz YQWKRNVSDUZHCS-YFKPBYRVSA-N 2 2 219.082 1.391 10 0 BDAELP COC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051925673 350871365 /nfs/dbraw/zinc/87/13/65/350871365.db2.gz GATFCZWBECDWIO-UHFFFAOYSA-N 2 2 240.347 1.110 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cccc(F)c2)C1 ZINC000616621394 351036218 /nfs/dbraw/zinc/03/62/18/351036218.db2.gz RZLHBNUZRMJOOB-GFCCVEGCSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cccc(F)c2)C1 ZINC000616621394 351036219 /nfs/dbraw/zinc/03/62/19/351036219.db2.gz RZLHBNUZRMJOOB-GFCCVEGCSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@H](c2cccnn2)CC1 ZINC000616627591 351095792 /nfs/dbraw/zinc/09/57/92/351095792.db2.gz HSVUHGIFWVCHAY-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@H](c2cccnn2)CC1 ZINC000616627591 351095795 /nfs/dbraw/zinc/09/57/95/351095795.db2.gz HSVUHGIFWVCHAY-NSHDSACASA-N 2 2 220.320 1.005 10 0 BDAELP CC(C)[N@@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616653376 351188145 /nfs/dbraw/zinc/18/81/45/351188145.db2.gz NGXWHTABBIOQIJ-LLVKDONJSA-N 2 2 209.293 1.512 10 0 BDAELP CC(C)[N@H+]1CCCO[C@@H](n2cc[nH+]c2)C1 ZINC000616653376 351188148 /nfs/dbraw/zinc/18/81/48/351188148.db2.gz NGXWHTABBIOQIJ-LLVKDONJSA-N 2 2 209.293 1.512 10 0 BDAELP CC(C)(C)[C@H]1CC[N@H+](CC[NH3+])CCO1 ZINC000616666484 351226481 /nfs/dbraw/zinc/22/64/81/351226481.db2.gz UXRYQCPCYVHHGO-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@H]1CC[N@@H+](CC[NH3+])CCO1 ZINC000616666484 351226485 /nfs/dbraw/zinc/22/64/85/351226485.db2.gz UXRYQCPCYVHHGO-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CC1(C)SC[C@@H]1[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000307071786 351465532 /nfs/dbraw/zinc/46/55/32/351465532.db2.gz XOVUJUOCAYJOHL-IUCAKERBSA-N 2 2 200.351 1.304 10 0 BDAELP CC1(C)SC[C@@H]1[N@H+]1CCC[C@H]([NH3+])C1 ZINC000307071786 351465536 /nfs/dbraw/zinc/46/55/36/351465536.db2.gz XOVUJUOCAYJOHL-IUCAKERBSA-N 2 2 200.351 1.304 10 0 BDAELP COC[C@](C)([NH3+])C[N@H+](C)Cc1ccccc1 ZINC000307034271 351435332 /nfs/dbraw/zinc/43/53/32/351435332.db2.gz UZFJJFJQLAIGKU-CYBMUJFWSA-N 2 2 222.332 1.482 10 0 BDAELP COC[C@](C)([NH3+])C[N@@H+](C)Cc1ccccc1 ZINC000307034271 351435334 /nfs/dbraw/zinc/43/53/34/351435334.db2.gz UZFJJFJQLAIGKU-CYBMUJFWSA-N 2 2 222.332 1.482 10 0 BDAELP BrC1=CCC[N@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000404396992 351422015 /nfs/dbraw/zinc/42/20/15/351422015.db2.gz CUIMXZXKAYQETE-VIFPVBQESA-N 2 2 245.164 1.580 10 0 BDAELP BrC1=CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 ZINC000404396992 351422019 /nfs/dbraw/zinc/42/20/19/351422019.db2.gz CUIMXZXKAYQETE-VIFPVBQESA-N 2 2 245.164 1.580 10 0 BDAELP CC1(C)SC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000307326650 352019645 /nfs/dbraw/zinc/01/96/45/352019645.db2.gz JEDWYOPFOKEMOD-BDAKNGLRSA-N 2 2 200.351 1.222 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000389142881 355731203 /nfs/dbraw/zinc/73/12/03/355731203.db2.gz HODAIQODDNGFDF-HZSPNIEDSA-N 2 2 240.391 1.874 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)C1 ZINC000389142881 355731205 /nfs/dbraw/zinc/73/12/05/355731205.db2.gz HODAIQODDNGFDF-HZSPNIEDSA-N 2 2 240.391 1.874 10 0 BDAELP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cn1 ZINC000389148979 355731662 /nfs/dbraw/zinc/73/16/62/355731662.db2.gz IYYCBWKSHASQFR-WCQYABFASA-N 2 2 236.363 1.648 10 0 BDAELP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cn1 ZINC000389148979 355731666 /nfs/dbraw/zinc/73/16/66/355731666.db2.gz IYYCBWKSHASQFR-WCQYABFASA-N 2 2 236.363 1.648 10 0 BDAELP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](CCO)C2)C1 ZINC000384368501 356626810 /nfs/dbraw/zinc/62/68/10/356626810.db2.gz JKNRWHIXJQXKGQ-RDBSUJKOSA-N 2 2 240.391 1.611 10 0 BDAELP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384368501 356626813 /nfs/dbraw/zinc/62/68/13/356626813.db2.gz JKNRWHIXJQXKGQ-RDBSUJKOSA-N 2 2 240.391 1.611 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccc(Cl)cc2)C[NH2+]C1 ZINC000675077775 538514337 /nfs/dbraw/zinc/51/43/37/538514337.db2.gz INUFWZWBWSLCKM-GFCCVEGCSA-N 2 2 222.719 1.739 10 0 BDAELP [NH3+][C@H]1C=C(Cc2sccc2Cl)C[NH2+]C1 ZINC000675077978 538514832 /nfs/dbraw/zinc/51/48/32/538514832.db2.gz LNFFMMLGMLKZDT-QMMMGPOBSA-N 2 2 228.748 1.801 10 0 BDAELP COc1cccc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675078342 538515499 /nfs/dbraw/zinc/51/54/99/538515499.db2.gz OUYPWDTUGWNTFT-LLVKDONJSA-N 2 2 204.273 1.009 10 0 BDAELP [NH3+][C@H]1C=C(Cc2cccc(Cl)c2)C[NH2+]C1 ZINC000675078808 538516373 /nfs/dbraw/zinc/51/63/73/538516373.db2.gz TYEJRCZDCXNGKR-LBPRGKRZSA-N 2 2 222.719 1.739 10 0 BDAELP [NH3+][C@@H]1C=C(c2c(F)cccc2Cl)C[NH2+]C1 ZINC000675078252 538516444 /nfs/dbraw/zinc/51/64/44/538516444.db2.gz OFTJCDUQDWHNON-MRVPVSSYSA-N 2 2 226.682 1.793 10 0 BDAELP CCc1cccc(C2=C[C@@H]([NH3+])C[NH2+]C2)c1 ZINC000675079471 538518755 /nfs/dbraw/zinc/51/87/55/538518755.db2.gz ZKPCNVOVXJRWEQ-CYBMUJFWSA-N 2 2 202.301 1.563 10 0 BDAELP Cc1ccccc1CC1=C[C@@H]([NH3+])C[NH2+]C1 ZINC000675077520 538511982 /nfs/dbraw/zinc/51/19/82/538511982.db2.gz FVAARPYLMVFGQE-CYBMUJFWSA-N 2 2 202.301 1.394 10 0 BDAELP Cc1cc(F)ccc1C1=C[C@H]([NH3+])C[NH2+]C1 ZINC000675077556 538512797 /nfs/dbraw/zinc/51/27/97/538512797.db2.gz OEVNMCBGQBXKOQ-NSHDSACASA-N 2 2 206.264 1.448 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000193446135 357077364 /nfs/dbraw/zinc/07/73/64/357077364.db2.gz JMHQJOHOXDDBDG-FUNVUKJBSA-N 2 2 226.364 1.077 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000193446135 357077367 /nfs/dbraw/zinc/07/73/67/357077367.db2.gz JMHQJOHOXDDBDG-FUNVUKJBSA-N 2 2 226.364 1.077 10 0 BDAELP Cc1cnccc1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000395391634 357437813 /nfs/dbraw/zinc/43/78/13/357437813.db2.gz WYCWPLCAXQQVJP-PWSUYJOCSA-N 2 2 205.305 1.169 10 0 BDAELP Cc1cnccc1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000395391634 357437817 /nfs/dbraw/zinc/43/78/17/357437817.db2.gz WYCWPLCAXQQVJP-PWSUYJOCSA-N 2 2 205.305 1.169 10 0 BDAELP C[C@@H]1CCCC[N@@H+]1[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948452 538891039 /nfs/dbraw/zinc/89/10/39/538891039.db2.gz OJWCJXJMDGOCAI-OUAUKWLOSA-N 2 2 200.301 1.561 10 0 BDAELP C[C@@H]1CCCC[N@H+]1[C@@H]1CC[NH2+]C[C@@H]1F ZINC000685948452 538891041 /nfs/dbraw/zinc/89/10/41/538891041.db2.gz OJWCJXJMDGOCAI-OUAUKWLOSA-N 2 2 200.301 1.561 10 0 BDAELP CC[C@@H]1CC[C@@H](CC[NH+]2CCOCC2)[NH2+]C1 ZINC000584607087 358267370 /nfs/dbraw/zinc/26/73/70/358267370.db2.gz AKXHKHXAAZWFKF-OLZOCXBDSA-N 2 2 226.364 1.487 10 0 BDAELP Cc1ccc(C[NH2+]CCc2c[nH]c[nH+]2)o1 ZINC000045946385 358568026 /nfs/dbraw/zinc/56/80/26/358568026.db2.gz RWPNTVHARKUQKI-UHFFFAOYSA-N 2 2 205.261 1.643 10 0 BDAELP Cc1ccc(C[NH2+]CCc2c[nH+]c[nH]2)o1 ZINC000045946385 358568028 /nfs/dbraw/zinc/56/80/28/358568028.db2.gz RWPNTVHARKUQKI-UHFFFAOYSA-N 2 2 205.261 1.643 10 0 BDAELP FCC[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000228101094 358706267 /nfs/dbraw/zinc/70/62/67/358706267.db2.gz HBLDUQVQPMZQDB-NSHDSACASA-N 2 2 200.301 1.422 10 0 BDAELP FCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC000228101094 358706272 /nfs/dbraw/zinc/70/62/72/358706272.db2.gz HBLDUQVQPMZQDB-NSHDSACASA-N 2 2 200.301 1.422 10 0 BDAELP FCC[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228101083 358706329 /nfs/dbraw/zinc/70/63/29/358706329.db2.gz HBLDUQVQPMZQDB-LLVKDONJSA-N 2 2 200.301 1.422 10 0 BDAELP FCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC000228101083 358706332 /nfs/dbraw/zinc/70/63/32/358706332.db2.gz HBLDUQVQPMZQDB-LLVKDONJSA-N 2 2 200.301 1.422 10 0 BDAELP C[C@@H]1CCS[C@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 ZINC000306553649 360426230 /nfs/dbraw/zinc/42/62/30/360426230.db2.gz DNUWWUMCCZSRQR-OPRDCNLKSA-N 2 2 200.351 1.427 10 0 BDAELP C[C@@H]1CCS[C@@](C)([C@@H]2CC[NH2+]C2)[NH2+]1 ZINC000306553647 360426444 /nfs/dbraw/zinc/42/64/44/360426444.db2.gz DNUWWUMCCZSRQR-BBBLOLIVSA-N 2 2 200.351 1.427 10 0 BDAELP CSC1CC[NH+]([C@H](C)C(N)=[NH2+])CC1 ZINC000300783352 360502887 /nfs/dbraw/zinc/50/28/87/360502887.db2.gz BTCQPMJZAILVJG-SSDOTTSWSA-N 2 2 201.339 1.138 10 0 BDAELP CC(C)(C)[C@H](C[NH3+])[NH+]1CCSCC1 ZINC000041051539 361206602 /nfs/dbraw/zinc/20/66/02/361206602.db2.gz DHFURAJBYZBEML-VIFPVBQESA-N 2 2 202.367 1.409 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@@H+]1CCSCC[C@@H]1C ZINC000306626345 361293169 /nfs/dbraw/zinc/29/31/69/361293169.db2.gz HPWFSEJBHNMVFZ-JGVFFNPUSA-N 2 2 201.339 1.138 10 0 BDAELP C[C@H](C(N)=[NH2+])[N@H+]1CCSCC[C@@H]1C ZINC000306626345 361293176 /nfs/dbraw/zinc/29/31/76/361293176.db2.gz HPWFSEJBHNMVFZ-JGVFFNPUSA-N 2 2 201.339 1.138 10 0 BDAELP COCC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000151849674 201186385 /nfs/dbraw/zinc/18/63/85/201186385.db2.gz NSZDJLNJJSLDKS-AVGNSLFASA-N 2 2 228.380 1.730 10 0 BDAELP COCC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000151849674 201186387 /nfs/dbraw/zinc/18/63/87/201186387.db2.gz NSZDJLNJJSLDKS-AVGNSLFASA-N 2 2 228.380 1.730 10 0 BDAELP C[C@H]([C@@H]1C[NH2+]CCO1)[N@H+](C)C(C)(C)C ZINC000306638414 361586660 /nfs/dbraw/zinc/58/66/60/361586660.db2.gz BZXCDJWTMPTCOO-ZJUUUORDSA-N 2 2 200.326 1.094 10 0 BDAELP C[C@H]([C@@H]1C[NH2+]CCO1)[N@@H+](C)C(C)(C)C ZINC000306638414 361586667 /nfs/dbraw/zinc/58/66/67/361586667.db2.gz BZXCDJWTMPTCOO-ZJUUUORDSA-N 2 2 200.326 1.094 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630355747 364077501 /nfs/dbraw/zinc/07/75/01/364077501.db2.gz KIZIYTYRXCUOOD-KBPBESRZSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccccc2)[C@](C)(C[NH3+])C1 ZINC000630355747 364077507 /nfs/dbraw/zinc/07/75/07/364077507.db2.gz KIZIYTYRXCUOOD-KBPBESRZSA-N 2 2 234.343 1.625 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2cccc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630361900 364081155 /nfs/dbraw/zinc/08/11/55/364081155.db2.gz NMFGUYXGGFECGB-LSDHHAIUSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2cccc(C)c2)[C@@](C)(C[NH3+])C1 ZINC000630361900 364081160 /nfs/dbraw/zinc/08/11/60/364081160.db2.gz NMFGUYXGGFECGB-LSDHHAIUSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccc(C)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361486 364081241 /nfs/dbraw/zinc/08/12/41/364081241.db2.gz MHYGUMIHIJZWLZ-LSDHHAIUSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2)[C@@](C)(C[NH3+])C1 ZINC000630361486 364081244 /nfs/dbraw/zinc/08/12/44/364081244.db2.gz MHYGUMIHIJZWLZ-LSDHHAIUSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@H+](CCOCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364659 364083495 /nfs/dbraw/zinc/08/34/95/364083495.db2.gz FXQGTXFHVLXLCB-QWHCGFSZSA-N 2 2 244.379 1.097 10 0 BDAELP CO[C@@H]1C[N@@H+](CCOCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000630364659 364083498 /nfs/dbraw/zinc/08/34/98/364083498.db2.gz FXQGTXFHVLXLCB-QWHCGFSZSA-N 2 2 244.379 1.097 10 0 BDAELP Cc1nc(N2CCCCC[C@@H]([NH3+])C2)cc[nH+]1 ZINC000630548657 364245080 /nfs/dbraw/zinc/24/50/80/364245080.db2.gz IHLKAAVXNYJOCP-LLVKDONJSA-N 2 2 220.320 1.493 10 0 BDAELP Cc1cc(N2CCCCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000630551140 364245175 /nfs/dbraw/zinc/24/51/75/364245175.db2.gz ZYUXXRTUXKOYCF-NSHDSACASA-N 2 2 220.320 1.493 10 0 BDAELP [NH3+]CCCN(Cc1cccnc1)c1cccc[nH+]1 ZINC000019813347 181379574 /nfs/dbraw/zinc/37/95/74/181379574.db2.gz PFOBAUOPMDPHSE-UHFFFAOYSA-N 2 2 242.326 1.832 10 0 BDAELP CCn1cc[nH+]c1-c1cc(C[NH3+])ccc1N ZINC000669380599 541437089 /nfs/dbraw/zinc/43/70/89/541437089.db2.gz RWAWLQFLVKRCQC-UHFFFAOYSA-N 2 2 216.288 1.611 10 0 BDAELP C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000386532603 367986785 /nfs/dbraw/zinc/98/67/85/367986785.db2.gz AXHSHZFOCOEUEI-DJLDLDEBSA-N 2 2 240.269 1.030 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@H]2CC[NH2+]C2)CCS1 ZINC000253069671 368444684 /nfs/dbraw/zinc/44/46/84/368444684.db2.gz LUPMJWWWWRRCSD-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP CC[C@@H]1C[N@H+]([C@H]2CC[NH2+]C2)CCS1 ZINC000253069671 368444688 /nfs/dbraw/zinc/44/46/88/368444688.db2.gz LUPMJWWWWRRCSD-VHSXEESVSA-N 2 2 200.351 1.176 10 0 BDAELP Cc1cc(NC(=O)[C@]2(C)CCC[NH2+]2)cc[nH+]1 ZINC000086114130 368874782 /nfs/dbraw/zinc/87/47/82/368874782.db2.gz ZFTUSRPQDHKNNH-LBPRGKRZSA-N 2 2 219.288 1.471 10 0 BDAELP C[C@@H](C[NH3+])[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000226413483 371664573 /nfs/dbraw/zinc/66/45/73/371664573.db2.gz MEAITSZDVAROOE-VIFPVBQESA-N 2 2 200.326 1.223 10 0 BDAELP C[C@H]1CSCC[N@@H+]1C[C@@]1(C)CCC[NH2+]1 ZINC000227088559 371780983 /nfs/dbraw/zinc/78/09/83/371780983.db2.gz AHRFEUPPIRJADD-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@H]1CSCC[N@H+]1C[C@@]1(C)CCC[NH2+]1 ZINC000227088559 371780986 /nfs/dbraw/zinc/78/09/86/371780986.db2.gz AHRFEUPPIRJADD-WDEREUQCSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)CCS1 ZINC000133028172 371973953 /nfs/dbraw/zinc/97/39/53/371973953.db2.gz FDOWAJGTBFFAIM-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)CCS1 ZINC000133028172 371973962 /nfs/dbraw/zinc/97/39/62/371973962.db2.gz FDOWAJGTBFFAIM-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP CC[C@H](C(N)=[NH2+])[N@@H+]1CCSC(C)(C)C1 ZINC000133322576 372022082 /nfs/dbraw/zinc/02/20/82/372022082.db2.gz HBKGHVNJMKYDIG-MRVPVSSYSA-N 2 2 215.366 1.528 10 0 BDAELP CC[C@H](C(N)=[NH2+])[N@H+]1CCSC(C)(C)C1 ZINC000133322576 372022090 /nfs/dbraw/zinc/02/20/90/372022090.db2.gz HBKGHVNJMKYDIG-MRVPVSSYSA-N 2 2 215.366 1.528 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000306549283 372033983 /nfs/dbraw/zinc/03/39/83/372033983.db2.gz DHVNHEYXIXLLNA-OUAUKWLOSA-N 2 2 200.326 1.079 10 0 BDAELP CC(C)[C@H]([NH3+])C[N@H+]1C[C@H](C)OC[C@H]1C ZINC000306549283 372033989 /nfs/dbraw/zinc/03/39/89/372033989.db2.gz DHVNHEYXIXLLNA-OUAUKWLOSA-N 2 2 200.326 1.079 10 0 BDAELP C[NH2+]C1(C[NH2+]Cc2ccccc2)CCC1 ZINC000307271661 372106474 /nfs/dbraw/zinc/10/64/74/372106474.db2.gz RURFTXYEDCCFDP-UHFFFAOYSA-N 2 2 204.317 1.918 10 0 BDAELP C[C@@H]1CC[NH2+][C@@]2(CC[NH2+]C[C@@H]2C)S1 ZINC000229565634 372166261 /nfs/dbraw/zinc/16/62/61/372166261.db2.gz OVFUFGNETQTYSZ-AEJSXWLSSA-N 2 2 200.351 1.427 10 0 BDAELP CCc1nc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839982 372636640 /nfs/dbraw/zinc/63/66/40/372636640.db2.gz NQLVHZRQJKEQLO-UWVGGRQHSA-N 2 2 239.388 1.732 10 0 BDAELP CCc1nc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000631839982 372636647 /nfs/dbraw/zinc/63/66/47/372636647.db2.gz NQLVHZRQJKEQLO-UWVGGRQHSA-N 2 2 239.388 1.732 10 0 BDAELP Oc1ccc2[nH]c([C@@H]3CCC[NH2+]C3)[nH+]c2c1 ZINC000076006039 183278859 /nfs/dbraw/zinc/27/88/59/183278859.db2.gz SWNWQDKFZIDPMH-MRVPVSSYSA-N 2 2 217.272 1.736 10 0 BDAELP CCCN(Cc1[nH+]ccn1C)[C@H]1CCC[NH2+]C1 ZINC000104335127 169182050 /nfs/dbraw/zinc/18/20/50/169182050.db2.gz ADFNQRZAYJCREN-LBPRGKRZSA-N 2 2 236.363 1.384 10 0 BDAELP CCC[NH2+]CC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419954 169260094 /nfs/dbraw/zinc/26/00/94/169260094.db2.gz QKIHXFHDFULWBV-CYBMUJFWSA-N 3 2 241.423 1.791 10 0 BDAELP CCC[NH2+]CC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419954 169260096 /nfs/dbraw/zinc/26/00/96/169260096.db2.gz QKIHXFHDFULWBV-CYBMUJFWSA-N 3 2 241.423 1.791 10 0 BDAELP CCC[NH2+][C@H](C[NH3+])c1cnn(-c2ccccc2)c1 ZINC000050270539 169289016 /nfs/dbraw/zinc/28/90/16/169289016.db2.gz RWEKOQQCEASBRZ-CQSZACIVSA-N 2 2 244.342 1.872 10 0 BDAELP c1[nH]cc(CC[NH2+]CCc2ccccc2)[nH+]1 ZINC000036460044 183392742 /nfs/dbraw/zinc/39/27/42/183392742.db2.gz TVVCLRCNSHNLOG-UHFFFAOYSA-N 2 2 215.300 1.785 10 0 BDAELP c1[nH]c(CC[NH2+]CCc2ccccc2)c[nH+]1 ZINC000036460044 183392745 /nfs/dbraw/zinc/39/27/45/183392745.db2.gz TVVCLRCNSHNLOG-UHFFFAOYSA-N 2 2 215.300 1.785 10 0 BDAELP CCC[NH2+][C@@H]1CC[N@@H+](C2CCOCC2)C1 ZINC000036319887 169282123 /nfs/dbraw/zinc/28/21/23/169282123.db2.gz YAGMOANCAOEEST-LLVKDONJSA-N 2 2 212.337 1.239 10 0 BDAELP CCC[NH2+][C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000036319887 169282125 /nfs/dbraw/zinc/28/21/25/169282125.db2.gz YAGMOANCAOEEST-LLVKDONJSA-N 2 2 212.337 1.239 10 0 BDAELP CCC[NH2+][C@@H]1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000026443090 169282484 /nfs/dbraw/zinc/28/24/84/169282484.db2.gz ZJSVJZPVBJHEBN-UONOGXRCSA-N 2 2 240.391 1.877 10 0 BDAELP CCC[NH2+][C@H]1CCC[C@H]1[N@@H+]1CCCOCC1 ZINC000061918074 169291949 /nfs/dbraw/zinc/29/19/49/169291949.db2.gz HABKTABWWIIDAM-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[NH2+][C@H]1CCC[C@H]1[N@H+]1CCCOCC1 ZINC000061918074 169291950 /nfs/dbraw/zinc/29/19/50/169291950.db2.gz HABKTABWWIIDAM-QWHCGFSZSA-N 2 2 226.364 1.629 10 0 BDAELP CCC[C@@H](C)NC(=O)C[N@H+](CCC[NH3+])C1CC1 ZINC000049287596 169367075 /nfs/dbraw/zinc/36/70/75/169367075.db2.gz SIMMBSNBCVTHGO-LLVKDONJSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[C@@H](C)NC(=O)C[N@@H+](CCC[NH3+])C1CC1 ZINC000049287596 169367076 /nfs/dbraw/zinc/36/70/76/169367076.db2.gz SIMMBSNBCVTHGO-LLVKDONJSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[C@@H]([NH3+])C[N@@H+]1CCCO[C@H](C)C1 ZINC000061916940 169392889 /nfs/dbraw/zinc/39/28/89/169392889.db2.gz GMGQQPNYXYVHIZ-GHMZBOCLSA-N 2 2 200.326 1.225 10 0 BDAELP CCC[C@@H]([NH3+])C[N@H+]1CCCO[C@H](C)C1 ZINC000061916940 169392890 /nfs/dbraw/zinc/39/28/90/169392890.db2.gz GMGQQPNYXYVHIZ-GHMZBOCLSA-N 2 2 200.326 1.225 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035677113 383867164 /nfs/dbraw/zinc/86/71/64/383867164.db2.gz DACCINGOQFWAFJ-QMMMGPOBSA-N 2 2 205.088 1.952 10 0 BDAELP C[NH2+][C@@H](C[NH3+])c1cc(Br)cs1 ZINC000050269941 383990158 /nfs/dbraw/zinc/99/01/58/383990158.db2.gz DLEZIQDWEZIZDC-LURJTMIESA-N 2 2 235.150 1.730 10 0 BDAELP C[NH2+][C@H](C[NH3+])c1ccc(Br)cc1F ZINC000050269971 383991267 /nfs/dbraw/zinc/99/12/67/383991267.db2.gz BXFJMZCZXNXLCO-SECBINFHSA-N 2 2 247.111 1.807 10 0 BDAELP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(Cl)n1 ZINC000095072306 384343110 /nfs/dbraw/zinc/34/31/10/384343110.db2.gz LOHCYXOLSPQMPU-ZJUUUORDSA-N 2 2 240.738 1.490 10 0 BDAELP [NH3+][C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(Cl)n1 ZINC000095072304 384343971 /nfs/dbraw/zinc/34/39/71/384343971.db2.gz LOHCYXOLSPQMPU-UWVGGRQHSA-N 2 2 240.738 1.490 10 0 BDAELP O=C(C[NH2+]C[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095072793 384345074 /nfs/dbraw/zinc/34/50/74/384345074.db2.gz QUDXSGYNKGRTJO-SNVBAGLBSA-N 2 2 222.288 1.052 10 0 BDAELP C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095074232 384351170 /nfs/dbraw/zinc/35/11/70/384351170.db2.gz MGWVTGRKKDEHIA-CABCVRRESA-N 2 2 248.370 1.431 10 0 BDAELP C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000095074232 384351177 /nfs/dbraw/zinc/35/11/77/384351177.db2.gz MGWVTGRKKDEHIA-CABCVRRESA-N 2 2 248.370 1.431 10 0 BDAELP CCc1cccc2c([C@@H]([NH3+])C[NH3+])c[nH]c21 ZINC000044474071 384333196 /nfs/dbraw/zinc/33/31/96/384333196.db2.gz RXBXSRFUIOJYKQ-NSHDSACASA-N 2 2 203.289 1.689 10 0 BDAELP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccn1 ZINC000335642586 384416323 /nfs/dbraw/zinc/41/63/23/384416323.db2.gz FXQCDWZSVHZABQ-ZYHUDNBSSA-N 2 2 205.305 1.312 10 0 BDAELP C[C@@H]([NH3+])[C@@H](c1ccsc1)n1cc[nH+]c1 ZINC000043124107 384495067 /nfs/dbraw/zinc/49/50/67/384495067.db2.gz QGTOEWALWLJAQS-SCZZXKLOSA-N 2 2 207.302 1.881 10 0 BDAELP C[C@@](C[NH3+])(c1ccccn1)[NH+]1CCCC1 ZINC000082639919 384512994 /nfs/dbraw/zinc/51/29/94/384512994.db2.gz QSFWIOCFYXNSEA-GFCCVEGCSA-N 2 2 205.305 1.351 10 0 BDAELP CC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000103473841 384777208 /nfs/dbraw/zinc/77/72/08/384777208.db2.gz JJHNSHRGVGEONN-ZDUSSCGKSA-N 2 2 247.342 1.795 10 0 BDAELP CC(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000103473841 384777219 /nfs/dbraw/zinc/77/72/19/384777219.db2.gz JJHNSHRGVGEONN-ZDUSSCGKSA-N 2 2 247.342 1.795 10 0 BDAELP [NH3+]Cc1nc(C[NH+]2CCSCC2)cs1 ZINC000052425632 384732669 /nfs/dbraw/zinc/73/26/69/384732669.db2.gz YFLOEHQVUQMWPJ-UHFFFAOYSA-N 2 2 229.374 1.151 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(OC(F)(F)F)ccc1F ZINC000044473154 384741119 /nfs/dbraw/zinc/74/11/19/384741119.db2.gz FMVZANJOPWWEPI-MRVPVSSYSA-N 2 2 238.184 1.683 10 0 BDAELP C[C@H]1C[C@H]([NH3+])Cn2c(Br)c[nH+]c21 ZINC000156231236 384834482 /nfs/dbraw/zinc/83/44/82/384834482.db2.gz YYTZYVHNURYVOH-WDSKDSINSA-N 2 2 230.109 1.480 10 0 BDAELP c1cnn(CC[N@H+](C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000310047526 384785427 /nfs/dbraw/zinc/78/54/27/384785427.db2.gz VSBONKBOKCEBHP-GFCCVEGCSA-N 2 2 234.347 1.100 10 0 BDAELP c1cnn(CC[N@@H+](C[C@H]2CCC[NH2+]2)C2CC2)c1 ZINC000310047526 384785434 /nfs/dbraw/zinc/78/54/34/384785434.db2.gz VSBONKBOKCEBHP-GFCCVEGCSA-N 2 2 234.347 1.100 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1cc(O)ccc1Br ZINC000072201258 384814962 /nfs/dbraw/zinc/81/49/62/384814962.db2.gz SFDUBLFNCTVTAI-QMMMGPOBSA-N 2 2 231.093 1.113 10 0 BDAELP c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000084238093 384851677 /nfs/dbraw/zinc/85/16/77/384851677.db2.gz IKSVZAZIOXSKBR-STQMWFEESA-N 2 2 202.301 1.480 10 0 BDAELP c1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000084238093 384851685 /nfs/dbraw/zinc/85/16/85/384851685.db2.gz IKSVZAZIOXSKBR-STQMWFEESA-N 2 2 202.301 1.480 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000120429816 385323331 /nfs/dbraw/zinc/32/33/31/385323331.db2.gz WZVYAPCNJKOEHA-UKRRQHHQSA-N 2 2 248.370 1.885 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000120429816 385323337 /nfs/dbraw/zinc/32/33/37/385323337.db2.gz WZVYAPCNJKOEHA-UKRRQHHQSA-N 2 2 248.370 1.885 10 0 BDAELP C[C@H]1C[C@@]2(CC[N@@H+]1C)[NH2+]CCCS2 ZINC000156984474 385479733 /nfs/dbraw/zinc/47/97/33/385479733.db2.gz JDOPQBNBZPLYHI-UWVGGRQHSA-N 2 2 200.351 1.523 10 0 BDAELP C[C@H]1C[C@@]2(CC[N@H+]1C)[NH2+]CCCS2 ZINC000156984474 385479738 /nfs/dbraw/zinc/47/97/38/385479738.db2.gz JDOPQBNBZPLYHI-UWVGGRQHSA-N 2 2 200.351 1.523 10 0 BDAELP CO[C@H](C)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182183282 385643326 /nfs/dbraw/zinc/64/33/26/385643326.db2.gz QCJBXJXAGBBHFX-CHWSQXEVSA-N 2 2 249.358 1.850 10 0 BDAELP CO[C@H](C)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000182183282 385643330 /nfs/dbraw/zinc/64/33/30/385643330.db2.gz QCJBXJXAGBBHFX-CHWSQXEVSA-N 2 2 249.358 1.850 10 0 BDAELP CC(C)n1cc[nH+]c1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000335789516 385864784 /nfs/dbraw/zinc/86/47/84/385864784.db2.gz LEACGRHTZYZQEK-TXEJJXNPSA-N 2 2 236.363 1.646 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1ccsc1Br ZINC000575583471 386261920 /nfs/dbraw/zinc/26/19/20/386261920.db2.gz LWMGBTGWWDHZTN-RXMQYKEDSA-N 2 2 221.123 1.469 10 0 BDAELP Nc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000246413052 386654025 /nfs/dbraw/zinc/65/40/25/386654025.db2.gz FKMGETJFAKNAER-ZDUSSCGKSA-N 2 2 246.358 1.334 10 0 BDAELP Nc1cc(CN2CC[N@H+]3CCCC[C@H]3C2)cc[nH+]1 ZINC000246413052 386654030 /nfs/dbraw/zinc/65/40/30/386654030.db2.gz FKMGETJFAKNAER-ZDUSSCGKSA-N 2 2 246.358 1.334 10 0 BDAELP Cn1c[nH+]cc1CN(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000328637226 386993826 /nfs/dbraw/zinc/99/38/26/386993826.db2.gz OMPHJIMPUBORTO-NSHDSACASA-N 2 2 234.347 1.137 10 0 BDAELP C[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC000575458648 387028791 /nfs/dbraw/zinc/02/87/91/387028791.db2.gz KMNKVEKMMUFWDN-CHWSQXEVSA-N 2 2 222.307 1.818 10 0 BDAELP C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC000575458648 387028796 /nfs/dbraw/zinc/02/87/96/387028796.db2.gz KMNKVEKMMUFWDN-CHWSQXEVSA-N 2 2 222.307 1.818 10 0 BDAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000228298724 387087180 /nfs/dbraw/zinc/08/71/80/387087180.db2.gz SVQIYOXFMGFNIH-WDEREUQCSA-N 2 2 222.336 1.228 10 0 BDAELP CC(C)[N@H+]1C[C@H](C)[C@H](NCc2[nH]cc[nH+]2)C1 ZINC000228298724 387087186 /nfs/dbraw/zinc/08/71/86/387087186.db2.gz SVQIYOXFMGFNIH-WDEREUQCSA-N 2 2 222.336 1.228 10 0 BDAELP CCc1nc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cs1 ZINC000400566401 387121179 /nfs/dbraw/zinc/12/11/79/387121179.db2.gz IXDTUPRWAXDFCZ-ZJUUUORDSA-N 2 2 239.388 1.793 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000035677034 387438174 /nfs/dbraw/zinc/43/81/74/387438174.db2.gz NQXWVAAAXWPKDX-ZETCQYMHSA-N 2 2 220.194 1.544 10 0 BDAELP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]2C[NH3+])CS1 ZINC000575514062 387386792 /nfs/dbraw/zinc/38/67/92/387386792.db2.gz IQXHJDBYPGVOKN-UTLUCORTSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]2C[NH3+])CS1 ZINC000575514062 387386797 /nfs/dbraw/zinc/38/67/97/387386797.db2.gz IQXHJDBYPGVOKN-UTLUCORTSA-N 2 2 200.351 1.304 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H]1CCO[C@H]1C ZINC000245940279 387996381 /nfs/dbraw/zinc/99/63/81/387996381.db2.gz MHGYYWKLRYONNM-XQQFMLRXSA-N 2 2 228.380 1.730 10 0 BDAELP CC(C)CSCC[NH2+][C@H]1CC[NH2+]C1 ZINC000397487984 388473592 /nfs/dbraw/zinc/47/35/92/388473592.db2.gz WZWHPARIZWBPKJ-JTQLQIEISA-N 2 2 202.367 1.327 10 0 BDAELP C[NH+](C)C1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000397874615 388507993 /nfs/dbraw/zinc/50/79/93/388507993.db2.gz LFUGYGLNFWVNHE-IJLUTSLNSA-N 2 2 238.375 1.484 10 0 BDAELP C[C@@H]1C[C@]2(CC[NH2+]1)[NH2+]CC[C@@H](C)S2 ZINC000575512594 389010835 /nfs/dbraw/zinc/01/08/35/389010835.db2.gz RCFVRQYTEYCYGZ-OPRDCNLKSA-N 2 2 200.351 1.570 10 0 BDAELP C([C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179569403 533374823 /nfs/dbraw/zinc/37/48/23/533374823.db2.gz FWYHJKLZJWJSKG-ZDUSSCGKSA-N 2 2 238.375 1.583 10 0 BDAELP C([C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179569403 533374826 /nfs/dbraw/zinc/37/48/26/533374826.db2.gz FWYHJKLZJWJSKG-ZDUSSCGKSA-N 2 2 238.375 1.583 10 0 BDAELP Cc1cc[nH+]c(N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000268283579 132191874 /nfs/dbraw/zinc/19/18/74/132191874.db2.gz BSZXCSGILALZGC-LBPRGKRZSA-N 2 2 217.316 1.674 10 0 BDAELP Cc1cc[nH+]c(N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000268283579 132191876 /nfs/dbraw/zinc/19/18/76/132191876.db2.gz BSZXCSGILALZGC-LBPRGKRZSA-N 2 2 217.316 1.674 10 0 BDAELP CC(C)CCNc1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000057330581 132300796 /nfs/dbraw/zinc/30/07/96/132300796.db2.gz KQRREQWYWWWHTP-UHFFFAOYSA-N 2 2 249.362 1.344 10 0 BDAELP CC(C)[C@@H](C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019271353 132324351 /nfs/dbraw/zinc/32/43/51/132324351.db2.gz PHCGPGKKHWUOBG-OAHLLOKOSA-N 2 2 247.386 1.792 10 0 BDAELP CC1(C)CN(c2cc[nH+]c(C[NH3+])c2)CCO1 ZINC000051397064 132360406 /nfs/dbraw/zinc/36/04/06/132360406.db2.gz BOYZFONSXOPPRY-UHFFFAOYSA-N 2 2 221.304 1.156 10 0 BDAELP NC(=[NH2+])c1ccccc1N1CCn2cc[nH+]c2C1 ZINC000062252606 132387642 /nfs/dbraw/zinc/38/76/42/132387642.db2.gz HWYORVGMXVAZCV-UHFFFAOYSA-N 2 2 241.298 1.187 10 0 BDAELP C([C@@H]1CC[N@@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179580106 134321897 /nfs/dbraw/zinc/32/18/97/134321897.db2.gz QKCHZJWJRJDTHH-LBPRGKRZSA-N 2 2 224.348 1.193 10 0 BDAELP C([C@@H]1CC[N@H+](C2CCC2)C1)[NH+]1CCOCC1 ZINC000179580106 134321898 /nfs/dbraw/zinc/32/18/98/134321898.db2.gz QKCHZJWJRJDTHH-LBPRGKRZSA-N 2 2 224.348 1.193 10 0 BDAELP c1cn(CCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000183162856 134349147 /nfs/dbraw/zinc/34/91/47/134349147.db2.gz QWCFHZPSLGMZAS-KBPBESRZSA-N 2 2 249.358 1.917 10 0 BDAELP Cc1nc(N(C)CC[C@H]([NH3+])C(C)C)cc[nH+]1 ZINC000227739114 134385502 /nfs/dbraw/zinc/38/55/02/134385502.db2.gz NOFFIVWPTSFGTM-NSHDSACASA-N 2 2 222.336 1.595 10 0 BDAELP CC[C@@H](COC)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000070656608 135005141 /nfs/dbraw/zinc/00/51/41/135005141.db2.gz LRZZIUWEBDLJHM-QWHCGFSZSA-N 2 2 230.396 1.977 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000250328419 135052015 /nfs/dbraw/zinc/05/20/15/135052015.db2.gz OCYMUQHSTWZVBH-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)C1 ZINC000250328419 135052016 /nfs/dbraw/zinc/05/20/16/135052016.db2.gz OCYMUQHSTWZVBH-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP C[C@H]1CC[N@H+](CCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000261536418 135172620 /nfs/dbraw/zinc/17/26/20/135172620.db2.gz RPTIFGVAPJKDJJ-IUCAKERBSA-N 2 2 224.270 1.998 10 0 BDAELP C[C@H]1CC[N@@H+](CCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000261536418 135172621 /nfs/dbraw/zinc/17/26/21/135172621.db2.gz RPTIFGVAPJKDJJ-IUCAKERBSA-N 2 2 224.270 1.998 10 0 BDAELP Cc1cnc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261674292 135245082 /nfs/dbraw/zinc/24/50/82/135245082.db2.gz JKDXNKLYVBUHOB-LBPRGKRZSA-N 2 2 234.347 1.344 10 0 BDAELP Cc1cnc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cn1 ZINC000261674292 135245083 /nfs/dbraw/zinc/24/50/83/135245083.db2.gz JKDXNKLYVBUHOB-LBPRGKRZSA-N 2 2 234.347 1.344 10 0 BDAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cscc1Cl ZINC000381583745 397761499 /nfs/dbraw/zinc/76/14/99/397761499.db2.gz GLDTWWPVILPBLV-XVKPBYJWSA-N 2 2 246.763 1.071 10 0 BDAELP CC(C)([NH3+])c1csc(C[NH+]2CCC2)n1 ZINC000307133211 397985234 /nfs/dbraw/zinc/98/52/34/397985234.db2.gz XFLPKSZSCSLKND-UHFFFAOYSA-N 2 2 211.334 1.543 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@H](CC[NH3+])C1 ZINC000128387625 410269863 /nfs/dbraw/zinc/26/98/63/410269863.db2.gz PXWSBRFGUSTXEI-LLVKDONJSA-N 2 2 235.331 1.655 10 0 BDAELP CC(C)C[NH2+]C[C@H]1CC[C@@H](Cn2cc[nH+]c2)O1 ZINC000052575512 167008393 /nfs/dbraw/zinc/00/83/93/167008393.db2.gz CIJZUAFYHCEXOE-OLZOCXBDSA-N 2 2 237.347 1.676 10 0 BDAELP CC(C)NC(=O)[C@@H](C)[N@H+](CC[NH3+])C1CCCC1 ZINC000070975499 167078620 /nfs/dbraw/zinc/07/86/20/167078620.db2.gz TUCBQVFBQUTCNK-LLVKDONJSA-N 2 2 241.379 1.103 10 0 BDAELP CC(C)NC(=O)[C@@H](C)[N@@H+](CC[NH3+])C1CCCC1 ZINC000070975499 167078623 /nfs/dbraw/zinc/07/86/23/167078623.db2.gz TUCBQVFBQUTCNK-LLVKDONJSA-N 2 2 241.379 1.103 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000309606184 167106143 /nfs/dbraw/zinc/10/61/43/167106143.db2.gz LIHCTRXDJNQWEV-ZDUSSCGKSA-N 2 2 228.380 1.325 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000309606184 167106144 /nfs/dbraw/zinc/10/61/44/167106144.db2.gz LIHCTRXDJNQWEV-ZDUSSCGKSA-N 2 2 228.380 1.325 10 0 BDAELP CC(C)[NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000309676645 167114928 /nfs/dbraw/zinc/11/49/28/167114928.db2.gz LXRPJUVZDHINDX-CHWSQXEVSA-N 2 2 226.364 1.485 10 0 BDAELP CC(C)[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049204014 167395661 /nfs/dbraw/zinc/39/56/61/167395661.db2.gz YNIQETIZJYZBCC-MJBXVCDLSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)[C@H]1C[NH2+]CCN1C1=[NH+]CCS1 ZINC000083347603 167492565 /nfs/dbraw/zinc/49/25/65/167492565.db2.gz ICYKYKGMHBIGGA-SECBINFHSA-N 2 2 213.350 1.019 10 0 BDAELP Cc1nc(NCC2([NH3+])CCCC2)cc[nH+]1 ZINC000656610744 411308863 /nfs/dbraw/zinc/30/88/63/411308863.db2.gz QWVRWYFPQPWOEO-UHFFFAOYSA-N 2 2 206.293 1.468 10 0 BDAELP CC1CC[NH+]([C@@H](C[NH3+])c2cnn(C)c2)CC1 ZINC000020075230 168186327 /nfs/dbraw/zinc/18/63/27/168186327.db2.gz QYDNIGDKLVLVLS-LBPRGKRZSA-N 2 2 222.336 1.152 10 0 BDAELP CCC(C)(C)NC(=O)C[N@H+](CCC[NH3+])C1CC1 ZINC000049281635 168289379 /nfs/dbraw/zinc/28/93/79/168289379.db2.gz BLWJROAEUMJAFP-UHFFFAOYSA-N 2 2 241.379 1.104 10 0 BDAELP CCC(C)(C)NC(=O)C[N@@H+](CCC[NH3+])C1CC1 ZINC000049281635 168289381 /nfs/dbraw/zinc/28/93/81/168289381.db2.gz BLWJROAEUMJAFP-UHFFFAOYSA-N 2 2 241.379 1.104 10 0 BDAELP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)n1C ZINC000657308811 411457912 /nfs/dbraw/zinc/45/79/12/411457912.db2.gz CCOOIACPKVODEQ-CABZTGNLSA-N 2 2 223.320 1.386 10 0 BDAELP Cc1[nH+]cc(C[NH2+][C@H]2CCCC[C@@H]2CO)n1C ZINC000657369902 411483464 /nfs/dbraw/zinc/48/34/64/411483464.db2.gz IPCYSOTURYEMKN-YPMHNXCESA-N 2 2 237.347 1.369 10 0 BDAELP CC[N@@H+]1CC[C@@H](C[NH+]2CCC([NH2+]C)CC2)C1 ZINC000037484423 170006958 /nfs/dbraw/zinc/00/69/58/170006958.db2.gz NMGVBDHJXRYQCF-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP CC[N@H+]1CC[C@@H](C[NH+]2CCC([NH2+]C)CC2)C1 ZINC000037484423 170006959 /nfs/dbraw/zinc/00/69/59/170006959.db2.gz NMGVBDHJXRYQCF-GFCCVEGCSA-N 3 2 225.380 1.012 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCOCC2)C1 ZINC000309031347 170030820 /nfs/dbraw/zinc/03/08/20/170030820.db2.gz DYPXRPRAHOHIJZ-PWSUYJOCSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCOCC2)C1 ZINC000309031347 170030821 /nfs/dbraw/zinc/03/08/21/170030821.db2.gz DYPXRPRAHOHIJZ-PWSUYJOCSA-N 2 2 212.337 1.095 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]CC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000309648563 170034675 /nfs/dbraw/zinc/03/46/75/170034675.db2.gz NFBHLOYJEYNESC-XQQFMLRXSA-N 2 2 226.364 1.343 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000339526792 170035904 /nfs/dbraw/zinc/03/59/04/170035904.db2.gz FDKYGFORJRDZEL-WCFLWFBJSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](OC)C2CC2)[C@@H](C)C1 ZINC000339526792 170035905 /nfs/dbraw/zinc/03/59/05/170035905.db2.gz FDKYGFORJRDZEL-WCFLWFBJSA-N 2 2 226.364 1.341 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCSC2)[C@@H](C)C1 ZINC000336761636 170037530 /nfs/dbraw/zinc/03/75/30/170037530.db2.gz MWAUFLFAXRKJJG-TUAOUCFPSA-N 2 2 228.405 1.669 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCSC2)[C@@H](C)C1 ZINC000336761636 170037532 /nfs/dbraw/zinc/03/75/32/170037532.db2.gz MWAUFLFAXRKJJG-TUAOUCFPSA-N 2 2 228.405 1.669 10 0 BDAELP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCOCC2)[C@@H](C)C1 ZINC000309950053 170037659 /nfs/dbraw/zinc/03/76/59/170037659.db2.gz FSCPLAQIWOMCEO-AVGNSLFASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCOCC2)[C@@H](C)C1 ZINC000309950053 170037660 /nfs/dbraw/zinc/03/76/60/170037660.db2.gz FSCPLAQIWOMCEO-AVGNSLFASA-N 2 2 226.364 1.485 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000309942304 170038500 /nfs/dbraw/zinc/03/85/00/170038500.db2.gz BZYRNICTPNMGTK-RWMBFGLXSA-N 2 2 228.380 1.467 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCCCO)C1 ZINC000309942304 170038502 /nfs/dbraw/zinc/03/85/02/170038502.db2.gz BZYRNICTPNMGTK-RWMBFGLXSA-N 2 2 228.380 1.467 10 0 BDAELP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000309942306 170040257 /nfs/dbraw/zinc/04/02/57/170040257.db2.gz BZYRNICTPNMGTK-YNEHKIRRSA-N 2 2 228.380 1.467 10 0 BDAELP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCCCO)C1 ZINC000309942306 170040258 /nfs/dbraw/zinc/04/02/58/170040258.db2.gz BZYRNICTPNMGTK-YNEHKIRRSA-N 2 2 228.380 1.467 10 0 BDAELP CCNC(=[NH2+])N1CCc2[nH+]c[nH]c2[C@H]1CC ZINC000045806337 170041962 /nfs/dbraw/zinc/04/19/62/170041962.db2.gz ADYLVPJKNVHFQR-SECBINFHSA-N 2 2 221.308 1.263 10 0 BDAELP CC[NH2+]C[C@H](C)[N@@H+]1CCCSCC1 ZINC000052370978 170121589 /nfs/dbraw/zinc/12/15/89/170121589.db2.gz WRQAJDRTZUPILZ-JTQLQIEISA-N 2 2 202.367 1.423 10 0 BDAELP CC[NH2+]C[C@H](C)[N@H+]1CCCSCC1 ZINC000052370978 170121591 /nfs/dbraw/zinc/12/15/91/170121591.db2.gz WRQAJDRTZUPILZ-JTQLQIEISA-N 2 2 202.367 1.423 10 0 BDAELP CC[NH2+][C@H]1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000049710896 170167100 /nfs/dbraw/zinc/16/71/00/170167100.db2.gz RMCOILBLNHRYKD-OLZOCXBDSA-N 3 2 239.407 1.543 10 0 BDAELP CC[NH2+][C@H]1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000049710896 170167101 /nfs/dbraw/zinc/16/71/01/170167101.db2.gz RMCOILBLNHRYKD-OLZOCXBDSA-N 3 2 239.407 1.543 10 0 BDAELP CCOC(=O)[C@H](C)[NH2+]CCCC[N@H+](C)C(C)C ZINC000045699486 170267760 /nfs/dbraw/zinc/26/77/60/170267760.db2.gz NUANRRXCYWKXBV-LBPRGKRZSA-N 2 2 244.379 1.648 10 0 BDAELP CCOC(=O)[C@H](C)[NH2+]CCCC[N@@H+](C)C(C)C ZINC000045699486 170267762 /nfs/dbraw/zinc/26/77/62/170267762.db2.gz NUANRRXCYWKXBV-LBPRGKRZSA-N 2 2 244.379 1.648 10 0 BDAELP CCOCCC[NH2+]CC[NH+](CC)CC ZINC000020054944 170380166 /nfs/dbraw/zinc/38/01/66/170380166.db2.gz UDKTVDGLUGCBFZ-UHFFFAOYSA-N 2 2 202.342 1.344 10 0 BDAELP CCOCC[N@H+](CC)Cc1cc(C[NH2+]C)no1 ZINC000104190904 170394637 /nfs/dbraw/zinc/39/46/37/170394637.db2.gz ZHUVHZPOYBIGAZ-UHFFFAOYSA-N 2 2 241.335 1.252 10 0 BDAELP CCOCC[N@@H+](CC)Cc1cc(C[NH2+]C)no1 ZINC000104190904 170394639 /nfs/dbraw/zinc/39/46/39/170394639.db2.gz ZHUVHZPOYBIGAZ-UHFFFAOYSA-N 2 2 241.335 1.252 10 0 BDAELP CC[N@@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616617284 411857389 /nfs/dbraw/zinc/85/73/89/411857389.db2.gz LRABSULKHBGHHO-NSHDSACASA-N 2 2 205.305 1.863 10 0 BDAELP CC[N@H+]1CCC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616617284 411857393 /nfs/dbraw/zinc/85/73/93/411857393.db2.gz LRABSULKHBGHHO-NSHDSACASA-N 2 2 205.305 1.863 10 0 BDAELP CC[N@@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616617176 411857683 /nfs/dbraw/zinc/85/76/83/411857683.db2.gz LRABSULKHBGHHO-LLVKDONJSA-N 2 2 205.305 1.863 10 0 BDAELP CC[N@H+]1CCC[C@@H](c2cc[nH+]c(N)c2)C1 ZINC000616617176 411857684 /nfs/dbraw/zinc/85/76/84/411857684.db2.gz LRABSULKHBGHHO-LLVKDONJSA-N 2 2 205.305 1.863 10 0 BDAELP CC(C)[N@@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616661485 411871556 /nfs/dbraw/zinc/87/15/56/411871556.db2.gz STGGLHWSECIQBX-GFCCVEGCSA-N 2 2 235.331 1.488 10 0 BDAELP CC(C)[N@H+]1CCOC[C@H](c2cc[nH+]c(N)c2)C1 ZINC000616661485 411871560 /nfs/dbraw/zinc/87/15/60/411871560.db2.gz STGGLHWSECIQBX-GFCCVEGCSA-N 2 2 235.331 1.488 10 0 BDAELP CC[C@@H]1CC[N@H+](Cc2ccncc2)CC[NH2+]1 ZINC000049662142 171011282 /nfs/dbraw/zinc/01/12/82/171011282.db2.gz ZKHICUMPPVFNTR-CYBMUJFWSA-N 2 2 219.332 1.656 10 0 BDAELP CC[C@@H]1CC[N@@H+](Cc2ccncc2)CC[NH2+]1 ZINC000049662142 171011285 /nfs/dbraw/zinc/01/12/85/171011285.db2.gz ZKHICUMPPVFNTR-CYBMUJFWSA-N 2 2 219.332 1.656 10 0 BDAELP CC[C@@H]1C[N@@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000036769514 171074923 /nfs/dbraw/zinc/07/49/23/171074923.db2.gz PBTCMNADYSRDOD-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@@H]1C[N@H+](C2(C[NH3+])CCCCC2)CCO1 ZINC000036769514 171074924 /nfs/dbraw/zinc/07/49/24/171074924.db2.gz PBTCMNADYSRDOD-GFCCVEGCSA-N 2 2 226.364 1.759 10 0 BDAELP CC[C@H]1CO[C@H](C)C[N@@H+]1C1(C[NH3+])CCCC1 ZINC000042450340 171674085 /nfs/dbraw/zinc/67/40/85/171674085.db2.gz NDSGXIZMGIADOD-NEPJUHHUSA-N 2 2 226.364 1.757 10 0 BDAELP CC[C@H]1CO[C@H](C)C[N@H+]1C1(C[NH3+])CCCC1 ZINC000042450340 171674086 /nfs/dbraw/zinc/67/40/86/171674086.db2.gz NDSGXIZMGIADOD-NEPJUHHUSA-N 2 2 226.364 1.757 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCO)C1 ZINC000105922544 172028666 /nfs/dbraw/zinc/02/86/66/172028666.db2.gz YEDPDGOLVVZFEZ-LBPRGKRZSA-N 2 2 237.347 1.465 10 0 BDAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCO)C1 ZINC000105922544 172028669 /nfs/dbraw/zinc/02/86/69/172028669.db2.gz YEDPDGOLVVZFEZ-LBPRGKRZSA-N 2 2 237.347 1.465 10 0 BDAELP CCn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000307972440 172244882 /nfs/dbraw/zinc/24/48/82/172244882.db2.gz KXENEMCXFJMKOE-YPMHNXCESA-N 2 2 236.363 1.441 10 0 BDAELP CCn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000307972440 172244886 /nfs/dbraw/zinc/24/48/86/172244886.db2.gz KXENEMCXFJMKOE-YPMHNXCESA-N 2 2 236.363 1.441 10 0 BDAELP C[N@@H+]1CC[C@@H](CNc2ccc(N)c[nH+]2)C1 ZINC000037484590 173117624 /nfs/dbraw/zinc/11/76/24/173117624.db2.gz SOLZWERKOLGXQP-VIFPVBQESA-N 2 2 206.293 1.027 10 0 BDAELP C[N@H+]1CC[C@@H](CNc2ccc(N)c[nH+]2)C1 ZINC000037484590 173117627 /nfs/dbraw/zinc/11/76/27/173117627.db2.gz SOLZWERKOLGXQP-VIFPVBQESA-N 2 2 206.293 1.027 10 0 BDAELP C[N@@H+]1C[C@H]([NH3+])C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000033986342 173193113 /nfs/dbraw/zinc/19/31/13/173193113.db2.gz KGUBZNRUCSWDAU-MPKXVKKWSA-N 2 2 241.338 1.839 10 0 BDAELP C[N@H+]1C[C@H]([NH3+])C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000033986342 173193115 /nfs/dbraw/zinc/19/31/15/173193115.db2.gz KGUBZNRUCSWDAU-MPKXVKKWSA-N 2 2 241.338 1.839 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000061934318 173319825 /nfs/dbraw/zinc/31/98/25/173319825.db2.gz AQHCDICTNAJHGN-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCCO[C@@H](C)C1 ZINC000061934318 173319826 /nfs/dbraw/zinc/31/98/26/173319826.db2.gz AQHCDICTNAJHGN-JTQLQIEISA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]C1(c2cccs2)CC[NH+](C)CC1 ZINC000071512331 173322082 /nfs/dbraw/zinc/32/20/82/173322082.db2.gz RVYSZLYZYBDQFZ-UHFFFAOYSA-N 2 2 210.346 1.888 10 0 BDAELP C[NH2+]C1CC[NH+]([C@H](C)c2ccc[nH]2)CC1 ZINC000095071523 173323633 /nfs/dbraw/zinc/32/36/33/173323633.db2.gz YMOIIXXKYXCATO-SNVBAGLBSA-N 2 2 207.321 1.760 10 0 BDAELP C[NH2+]CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000037013524 173333806 /nfs/dbraw/zinc/33/38/06/173333806.db2.gz IOBIVWPEKGPQSX-UHFFFAOYSA-N 2 2 230.271 1.030 10 0 BDAELP C[NH2+]CCC(=O)OCc1ccc2[nH]c(C)[nH+]c2c1 ZINC000077417145 173341850 /nfs/dbraw/zinc/34/18/50/173341850.db2.gz STXJYOYXROBKAX-UHFFFAOYSA-N 2 2 247.298 1.524 10 0 BDAELP C[NH2+]CCC(=O)OCc1ccc2[nH+]c(C)[nH]c2c1 ZINC000077417145 173341851 /nfs/dbraw/zinc/34/18/51/173341851.db2.gz STXJYOYXROBKAX-UHFFFAOYSA-N 2 2 247.298 1.524 10 0 BDAELP C[NH2+]CCOCCc1ccc2c(c1)[nH+]c(C)n2C ZINC000077418409 173356976 /nfs/dbraw/zinc/35/69/76/173356976.db2.gz XVDCNDPWXJUHCB-UHFFFAOYSA-N 2 2 247.342 1.660 10 0 BDAELP C[NH2+]Cc1cc(C[N@@H+]2CCCO[C@H](C)C2)on1 ZINC000061935415 173386490 /nfs/dbraw/zinc/38/64/90/173386490.db2.gz FRSDNNFEQGHZSH-SNVBAGLBSA-N 2 2 239.319 1.005 10 0 BDAELP C[NH2+]Cc1cc(C[N@H+]2CCCO[C@H](C)C2)on1 ZINC000061935415 173386493 /nfs/dbraw/zinc/38/64/93/173386493.db2.gz FRSDNNFEQGHZSH-SNVBAGLBSA-N 2 2 239.319 1.005 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@@H+]1CCO[C@H](C)C1 ZINC000052382329 173391068 /nfs/dbraw/zinc/39/10/68/173391068.db2.gz TZMZWVVNJDAUMH-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@H+]1CCO[C@H](C)C1 ZINC000052382329 173391070 /nfs/dbraw/zinc/39/10/70/173391070.db2.gz TZMZWVVNJDAUMH-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@@H+]1CCOC[C@H]1C ZINC000052475787 173391570 /nfs/dbraw/zinc/39/15/70/173391570.db2.gz CIOFPRCSEDKRLS-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP C[NH2+]Cc1ccoc1C[N@H+]1CCOC[C@H]1C ZINC000052475787 173391572 /nfs/dbraw/zinc/39/15/72/173391572.db2.gz CIOFPRCSEDKRLS-SNVBAGLBSA-N 2 2 224.304 1.220 10 0 BDAELP COC1CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000336773447 174018715 /nfs/dbraw/zinc/01/87/15/174018715.db2.gz WDFCKEDWUJVRGS-YWPUVAFDSA-N 2 2 226.364 1.482 10 0 BDAELP COC1CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000336773447 174018717 /nfs/dbraw/zinc/01/87/17/174018717.db2.gz WDFCKEDWUJVRGS-YWPUVAFDSA-N 2 2 226.364 1.482 10 0 BDAELP COCC[N@@H+]1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000062617284 174306471 /nfs/dbraw/zinc/30/64/71/174306471.db2.gz FEBOJKKIQXVMNP-AWEZNQCLSA-N 2 2 234.343 1.669 10 0 BDAELP COCC[N@H+]1CCC[NH2+][C@H](c2ccccc2)C1 ZINC000062617284 174306472 /nfs/dbraw/zinc/30/64/72/174306472.db2.gz FEBOJKKIQXVMNP-AWEZNQCLSA-N 2 2 234.343 1.669 10 0 BDAELP COCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860267 174318684 /nfs/dbraw/zinc/31/86/84/174318684.db2.gz SSGBFKLXTDSABO-ZDUSSCGKSA-N 2 2 220.316 1.018 10 0 BDAELP COCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000051860267 174318687 /nfs/dbraw/zinc/31/86/87/174318687.db2.gz SSGBFKLXTDSABO-ZDUSSCGKSA-N 2 2 220.316 1.018 10 0 BDAELP COCC[NH2+]CCC[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000053499724 174332356 /nfs/dbraw/zinc/33/23/56/174332356.db2.gz XQQULVRCVQMJMT-LBPRGKRZSA-N 2 2 244.379 1.112 10 0 BDAELP COCC[NH2+]CCC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000053499724 174332358 /nfs/dbraw/zinc/33/23/58/174332358.db2.gz XQQULVRCVQMJMT-LBPRGKRZSA-N 2 2 244.379 1.112 10 0 BDAELP COc1cc(OC)cc([C@@H]([NH3+])Cc2[nH]cc[nH+]2)c1 ZINC000036946820 175011634 /nfs/dbraw/zinc/01/16/34/175011634.db2.gz AJIIMJKSUJQUEN-LBPRGKRZSA-N 2 2 247.298 1.669 10 0 BDAELP COc1cc2cc[nH+]c(NCC[NH3+])c2cc1OC ZINC000082766263 175027000 /nfs/dbraw/zinc/02/70/00/175027000.db2.gz UPINWOQITBSGSB-UHFFFAOYSA-N 2 2 247.298 1.623 10 0 BDAELP COc1ccc(-c2[nH+]c(CC[NH3+])[nH]c2C)cc1 ZINC000036876315 175039626 /nfs/dbraw/zinc/03/96/26/175039626.db2.gz YOQGLBPQTREBLQ-UHFFFAOYSA-N 2 2 231.299 1.895 10 0 BDAELP COc1ccc(OC)c([C@@H]([NH3+])Cn2cc[nH+]c2)c1 ZINC000023066255 175168235 /nfs/dbraw/zinc/16/82/35/175168235.db2.gz HANMZKVTNOJNAX-LBPRGKRZSA-N 2 2 247.298 1.600 10 0 BDAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@H+](C)CCO)cc1 ZINC000042961307 175193963 /nfs/dbraw/zinc/19/39/63/175193963.db2.gz JBHBYZUFIHCFLC-MFKMUULPSA-N 2 2 238.331 1.008 10 0 BDAELP COc1ccc([C@H]([C@@H](C)[NH3+])[N@@H+](C)CCO)cc1 ZINC000042961307 175193964 /nfs/dbraw/zinc/19/39/64/175193964.db2.gz JBHBYZUFIHCFLC-MFKMUULPSA-N 2 2 238.331 1.008 10 0 BDAELP COc1ccccc1Cn1c[nH+]c(CC[NH3+])c1 ZINC000071535301 175334458 /nfs/dbraw/zinc/33/44/58/175334458.db2.gz KEGAYVALPOKUDI-UHFFFAOYSA-N 2 2 231.299 1.441 10 0 BDAELP COc1ccccc1[C@@H]([C@@H](C)[NH3+])n1cc[nH+]c1 ZINC000043098673 175348813 /nfs/dbraw/zinc/34/88/13/175348813.db2.gz NMGWJQUUZJCFQE-ZWNOBZJWSA-N 2 2 231.299 1.828 10 0 BDAELP COc1ccccc1[C@H](C[NH3+])n1cc[nH+]c1 ZINC000043098666 175353715 /nfs/dbraw/zinc/35/37/15/175353715.db2.gz QKXYJIMKKQVHTR-NSHDSACASA-N 2 2 217.272 1.440 10 0 BDAELP C[C@@H](c1cccnc1)[N@@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662165 176030619 /nfs/dbraw/zinc/03/06/19/176030619.db2.gz XOZHWJZTHLVLKU-NEPJUHHUSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@@H](c1cccnc1)[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000049662165 176030620 /nfs/dbraw/zinc/03/06/20/176030620.db2.gz XOZHWJZTHLVLKU-NEPJUHHUSA-N 2 2 219.332 1.826 10 0 BDAELP C[C@@H]1CC[C@H](C[NH3+])C[N@@H+]1CCC[NH+]1CCCC1 ZINC000042427525 176224276 /nfs/dbraw/zinc/22/42/76/176224276.db2.gz DZRMQCFSBVSNPN-ZIAGYGMSSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1CC[C@H](C[NH3+])C[N@H+]1CCC[NH+]1CCCC1 ZINC000042427525 176224277 /nfs/dbraw/zinc/22/42/77/176224277.db2.gz DZRMQCFSBVSNPN-ZIAGYGMSSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000309750806 176274339 /nfs/dbraw/zinc/27/43/39/176274339.db2.gz GQTDRISCAZHIJC-VOAKCMCISA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000309750806 176274341 /nfs/dbraw/zinc/27/43/41/176274341.db2.gz GQTDRISCAZHIJC-VOAKCMCISA-N 2 2 226.364 1.077 10 0 BDAELP C[C@@H]1C[N@H+](CC2([NH3+])CCCCC2)CCO1 ZINC000020072106 176284696 /nfs/dbraw/zinc/28/46/96/176284696.db2.gz MVOFCXAWLSRNOH-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C[C@@H]1C[N@@H+](CC2([NH3+])CCCCC2)CCO1 ZINC000020072106 176284699 /nfs/dbraw/zinc/28/46/99/176284699.db2.gz MVOFCXAWLSRNOH-LLVKDONJSA-N 2 2 212.337 1.369 10 0 BDAELP C[C@@H]1C[NH+](CC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000042171752 176293281 /nfs/dbraw/zinc/29/32/81/176293281.db2.gz XSFDNQKKICPKOA-UTUOFQBUSA-N 2 2 212.337 1.238 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccccc2C(N)=[NH2+])CCO1 ZINC000019513769 176307507 /nfs/dbraw/zinc/30/75/07/176307507.db2.gz IBJAHKSEKASHLD-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccccc2C(N)=[NH2+])CCO1 ZINC000019513769 176307508 /nfs/dbraw/zinc/30/75/08/176307508.db2.gz IBJAHKSEKASHLD-SNVBAGLBSA-N 2 2 233.315 1.191 10 0 BDAELP C[C@@H]1C[N@H+](Cc2ccoc2C[NH3+])[C@H](C)CO1 ZINC000052476465 176309569 /nfs/dbraw/zinc/30/95/69/176309569.db2.gz KSFRNFBUXFXWQW-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@@H]1C[N@@H+](Cc2ccoc2C[NH3+])[C@H](C)CO1 ZINC000052476465 176309571 /nfs/dbraw/zinc/30/95/71/176309571.db2.gz KSFRNFBUXFXWQW-NXEZZACHSA-N 2 2 224.304 1.348 10 0 BDAELP C[C@H]([NH3+])[C@@H](c1cnn(C)c1)[NH+]1CCCCC1 ZINC000043126535 176766604 /nfs/dbraw/zinc/76/66/04/176766604.db2.gz SKGVKELTWZNCHX-JQWIXIFHSA-N 2 2 222.336 1.294 10 0 BDAELP C[C@H](c1ccc(O)cc1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000041027763 177035037 /nfs/dbraw/zinc/03/50/37/177035037.db2.gz VPUDRMCLJBUJDG-PWSUYJOCSA-N 2 2 220.316 1.876 10 0 BDAELP C[C@H](c1ccc(O)cc1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC000041027763 177035039 /nfs/dbraw/zinc/03/50/39/177035039.db2.gz VPUDRMCLJBUJDG-PWSUYJOCSA-N 2 2 220.316 1.876 10 0 BDAELP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000026515225 177254232 /nfs/dbraw/zinc/25/42/32/177254232.db2.gz KQGUQLJEJBDBSF-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000026515225 177254234 /nfs/dbraw/zinc/25/42/34/177254234.db2.gz KQGUQLJEJBDBSF-FRRDWIJNSA-N 2 2 226.364 1.628 10 0 BDAELP C[C@H]1C[N@H+](C[C@](C)([NH3+])c2ccccc2)CCCO1 ZINC000061934612 177258964 /nfs/dbraw/zinc/25/89/64/177258964.db2.gz OZVYKRKNOXMUFZ-ZFWWWQNUSA-N 2 2 248.370 1.971 10 0 BDAELP C[C@H]1C[N@@H+](C[C@](C)([NH3+])c2ccccc2)CCCO1 ZINC000061934612 177258966 /nfs/dbraw/zinc/25/89/66/177258966.db2.gz OZVYKRKNOXMUFZ-ZFWWWQNUSA-N 2 2 248.370 1.971 10 0 BDAELP C[C@@H](C[NH2+]C(C)(C)C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000061935572 177274040 /nfs/dbraw/zinc/27/40/40/177274040.db2.gz HUARWSGPFGRQCR-RYUDHWBXSA-N 2 2 228.380 1.874 10 0 BDAELP C[C@@H](C[NH2+]C(C)(C)C)[N@H+]1CCCO[C@@H](C)C1 ZINC000061935572 177274042 /nfs/dbraw/zinc/27/40/42/177274042.db2.gz HUARWSGPFGRQCR-RYUDHWBXSA-N 2 2 228.380 1.874 10 0 BDAELP C[C@H]1C[NH2+]CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000049665944 177281488 /nfs/dbraw/zinc/28/14/88/177281488.db2.gz LMCRSDOOHNYSID-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@H]1C[NH2+]CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000049665944 177281489 /nfs/dbraw/zinc/28/14/89/177281489.db2.gz LMCRSDOOHNYSID-LBPRGKRZSA-N 3 2 225.380 1.012 10 0 BDAELP C[C@@H](c1ccccn1)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662173 177282786 /nfs/dbraw/zinc/28/27/86/177282786.db2.gz QIBUJFNHNLODDR-RYUDHWBXSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@@H](c1ccccn1)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000049662173 177282788 /nfs/dbraw/zinc/28/27/88/177282788.db2.gz QIBUJFNHNLODDR-RYUDHWBXSA-N 2 2 219.332 1.684 10 0 BDAELP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000400578350 226346629 /nfs/dbraw/zinc/34/66/29/226346629.db2.gz PRVYCXAZVJTPIO-GRYCIOLGSA-N 3 2 225.380 1.057 10 0 BDAELP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398764088 323192030 /nfs/dbraw/zinc/19/20/30/323192030.db2.gz INWRVLFAQLYPKP-MELADBBJSA-N 2 2 249.358 1.284 10 0 BDAELP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398764088 323192031 /nfs/dbraw/zinc/19/20/31/323192031.db2.gz INWRVLFAQLYPKP-MELADBBJSA-N 2 2 249.358 1.284 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000389540638 488100562 /nfs/dbraw/zinc/10/05/62/488100562.db2.gz KEAKUHDBLQQVFE-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](OC)C2)C1 ZINC000389540638 488100567 /nfs/dbraw/zinc/10/05/67/488100567.db2.gz KEAKUHDBLQQVFE-AVGNSLFASA-N 2 2 226.364 1.628 10 0 BDAELP CC[C@H](C)[N@H+](CC)Cc1noc(C[NH3+])n1 ZINC000300877039 487542915 /nfs/dbraw/zinc/54/29/15/487542915.db2.gz KXPISRWVHZTQRB-QMMMGPOBSA-N 2 2 212.297 1.149 10 0 BDAELP CC[C@H](C)[N@@H+](CC)Cc1noc(C[NH3+])n1 ZINC000300877039 487542922 /nfs/dbraw/zinc/54/29/22/487542922.db2.gz KXPISRWVHZTQRB-QMMMGPOBSA-N 2 2 212.297 1.149 10 0 BDAELP c1ccc2[nH+]c(NCC[NH2+]C3CC3)[nH]c2c1 ZINC000049773072 488329528 /nfs/dbraw/zinc/32/95/28/488329528.db2.gz AWPGESMRTDZPFQ-UHFFFAOYSA-N 2 2 216.288 1.727 10 0 BDAELP COCC[N@@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757132933 582508460 /nfs/dbraw/zinc/50/84/60/582508460.db2.gz SGDJKMGUCPYMEW-CYBMUJFWSA-N 2 2 224.348 1.193 10 0 BDAELP COCC[N@H+]1CCC[C@]12C[NH+]1CCC2CC1 ZINC000757132933 582508461 /nfs/dbraw/zinc/50/84/61/582508461.db2.gz SGDJKMGUCPYMEW-CYBMUJFWSA-N 2 2 224.348 1.193 10 0 BDAELP CCCn1ccnc1C[NH2+]CCCn1cc[nH+]c1 ZINC000022863732 521662988 /nfs/dbraw/zinc/66/29/88/521662988.db2.gz XXGGZJFDXUQPRF-UHFFFAOYSA-N 2 2 247.346 1.670 10 0 BDAELP Cc1ccc([C@H]([NH3+])c2noc(C[NH3+])n2)cc1F ZINC000095533052 525963297 /nfs/dbraw/zinc/96/32/97/525963297.db2.gz OYSQDSNFEKIKGU-JTQLQIEISA-N 2 2 236.250 1.024 10 0 BDAELP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC000175167426 535546959 /nfs/dbraw/zinc/54/69/59/535546959.db2.gz UYXIYQUJRQKJAL-GFCCVEGCSA-N 2 2 234.347 1.706 10 0 BDAELP CC[N@H+]1CCC[C@@H]1CN(C)c1cc[nH+]c(C)n1 ZINC000175167426 535546964 /nfs/dbraw/zinc/54/69/64/535546964.db2.gz UYXIYQUJRQKJAL-GFCCVEGCSA-N 2 2 234.347 1.706 10 0 BDAELP C[NH+](C)C[C@H]1C[N@H+](C[Si](C)(C)C)CCO1 ZINC000171746721 535969887 /nfs/dbraw/zinc/96/98/87/535969887.db2.gz CFJKABLSXUFDKH-NSHDSACASA-N 2 2 230.428 1.126 10 0 BDAELP C[NH+](C)C[C@H]1C[N@@H+](C[Si](C)(C)C)CCO1 ZINC000171746721 535969891 /nfs/dbraw/zinc/96/98/91/535969891.db2.gz CFJKABLSXUFDKH-NSHDSACASA-N 2 2 230.428 1.126 10 0 BDAELP COC[C@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757133835 582510706 /nfs/dbraw/zinc/51/07/06/582510706.db2.gz VDOZXUMQBILGKM-JSGCOSHPSA-N 2 2 238.375 1.582 10 0 BDAELP COC[C@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757133835 582510707 /nfs/dbraw/zinc/51/07/07/582510707.db2.gz VDOZXUMQBILGKM-JSGCOSHPSA-N 2 2 238.375 1.582 10 0 BDAELP CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@H]1c1c[nH+]c[nH]1 ZINC000757189445 582555949 /nfs/dbraw/zinc/55/59/49/582555949.db2.gz NOOKYKBOGJVRLT-RKDXNWHRSA-N 2 2 237.303 1.054 10 0 BDAELP CC(C)(C)[C@@H]1CCO[C@@]2(CCC[NH2+]C2)[NH2+]1 ZINC000757138951 586427366 /nfs/dbraw/zinc/42/73/66/586427366.db2.gz AEVAMCDCKKJHKY-CMPLNLGQSA-N 2 2 212.337 1.491 10 0 BDAELP CC(C)(C)OC(=O)[C@@H]1C[NH2+]C[C@@H]1c1[nH]cc[nH+]1 ZINC000757185834 586434065 /nfs/dbraw/zinc/43/40/65/586434065.db2.gz AXYWUFIVKNNREK-DTWKUNHWSA-N 2 2 237.303 1.054 10 0 BDAELP CC(=O)c1ccc([C@H]2[NH2+]CCC[C@@H]2[NH3+])cc1 ZINC000757211016 586437418 /nfs/dbraw/zinc/43/74/18/586437418.db2.gz FFSUSPLQSQMTOG-QWHCGFSZSA-N 2 2 218.300 1.641 10 0 BDAELP [NH3+]C[C@@H]1CC[C@@H](c2ccc(C=O)s2)C[NH2+]1 ZINC000757211644 586438932 /nfs/dbraw/zinc/43/89/32/586438932.db2.gz HZLOBHZNLCJRHN-BDAKNGLRSA-N 2 2 224.329 1.355 10 0 BDAELP CC(=O)c1cccc([C@@H]2CC[C@@H]([NH3+])C[NH2+]2)c1 ZINC000757217587 586441550 /nfs/dbraw/zinc/44/15/50/586441550.db2.gz SOSNSPIFZCNQKJ-OLZOCXBDSA-N 2 2 218.300 1.641 10 0 BDAELP C[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)[NH+]1CCCCC1 ZINC000129161313 591266770 /nfs/dbraw/zinc/26/67/70/591266770.db2.gz CWAMDSHSKZRHIR-ZIAGYGMSSA-N 3 2 239.407 1.593 10 0 BDAELP C[C@@H]([NH3+])CN(C)c1[nH+]c2ccccc2n1C ZINC000212220096 591323322 /nfs/dbraw/zinc/32/33/22/591323322.db2.gz RUKSYCVTQXJUJP-SECBINFHSA-N 2 2 218.304 1.357 10 0 BDAELP [NH3+][C@H]1CC[N@@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044677402 631819524 /nfs/dbraw/zinc/81/95/24/631819524.db2.gz RVVLAKYTNMYFKE-YNEHKIRRSA-N 2 2 202.301 1.576 10 0 BDAELP [NH3+][C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000044677402 631819526 /nfs/dbraw/zinc/81/95/26/631819526.db2.gz RVVLAKYTNMYFKE-YNEHKIRRSA-N 2 2 202.301 1.576 10 0 BDAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCO)C1 ZINC000252746117 644897188 /nfs/dbraw/zinc/89/71/88/644897188.db2.gz PVYFHORJYUIGRK-UTUOFQBUSA-N 2 2 214.353 1.076 10 0 BDAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CCO)C1 ZINC000252746117 644897192 /nfs/dbraw/zinc/89/71/92/644897192.db2.gz PVYFHORJYUIGRK-UTUOFQBUSA-N 2 2 214.353 1.076 10 0 BDAELP CC[NH+]1CCC([NH+]2CCC([NH3+])(CC)CC2)CC1 ZINC000714754831 712497928 /nfs/dbraw/zinc/49/79/28/712497928.db2.gz YBUVJYHZYYGPHB-UHFFFAOYSA-N 3 2 239.407 1.674 10 0 BDAELP FC1(F)CC[NH2+]C[C@@H]1CNc1cccc[nH+]1 ZINC000717008059 712604085 /nfs/dbraw/zinc/60/40/85/712604085.db2.gz AVYITBKRCXKOOU-SECBINFHSA-N 2 2 227.258 1.738 10 0 BDAELP Cc1cc(N[C@@H]2CC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000052093784 178182870 /nfs/dbraw/zinc/18/28/70/178182870.db2.gz NFNKKBHXKJCWHE-SNVBAGLBSA-N 2 2 220.320 1.682 10 0 BDAELP CC(C)n1cc[nH+]c1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000335625430 136240855 /nfs/dbraw/zinc/24/08/55/136240855.db2.gz VVCWFHLLZCPKAK-QWHCGFSZSA-N 2 2 248.374 1.648 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1F ZINC000072201030 343069547 /nfs/dbraw/zinc/06/95/47/343069547.db2.gz VTABJHFRRLQOTQ-QMMMGPOBSA-N 2 2 222.185 1.803 10 0 BDAELP Cn1cc[nH+]c1-c1ccc(C(=O)C[NH3+])cc1 ZINC000039109655 343384994 /nfs/dbraw/zinc/38/49/94/343384994.db2.gz URCMYNNBFFXXRM-UHFFFAOYSA-N 2 2 215.256 1.229 10 0 BDAELP [NH3+]CCN1c2ccccc2CC[C@@H]1c1[nH]cc[nH+]1 ZINC000616668929 343534375 /nfs/dbraw/zinc/53/43/75/343534375.db2.gz LAEBLYVKVKPHOK-CYBMUJFWSA-N 2 2 242.326 1.862 10 0 BDAELP CCc1nc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cs1 ZINC000400566394 529740659 /nfs/dbraw/zinc/74/06/59/529740659.db2.gz IXDTUPRWAXDFCZ-NXEZZACHSA-N 2 2 239.388 1.793 10 0 BDAELP [NH3+]C[C@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000108319931 343786113 /nfs/dbraw/zinc/78/61/13/343786113.db2.gz WQBXDWCSXGTIBZ-GFCCVEGCSA-N 2 2 208.280 1.559 10 0 BDAELP [NH3+]C[C@]1(F)CC[N@@H+](Cc2ccccc2)C1 ZINC000108319931 343786115 /nfs/dbraw/zinc/78/61/15/343786115.db2.gz WQBXDWCSXGTIBZ-GFCCVEGCSA-N 2 2 208.280 1.559 10 0 BDAELP C[C@@H]1SCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000220635697 344562022 /nfs/dbraw/zinc/56/20/22/344562022.db2.gz BTGXVPCMGZRSQM-GARJFASQSA-N 2 2 214.378 1.564 10 0 BDAELP C[C@@H]1SCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000220635697 344562025 /nfs/dbraw/zinc/56/20/25/344562025.db2.gz BTGXVPCMGZRSQM-GARJFASQSA-N 2 2 214.378 1.564 10 0 BDAELP COc1cc(C)[nH+]c(CN2C[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000634999010 345198986 /nfs/dbraw/zinc/19/89/86/345198986.db2.gz OOKBIERIPDMKPH-JQWIXIFHSA-N 2 2 249.358 1.425 10 0 BDAELP Cc1ccc([C@H](C[NH3+])n2cc[nH+]c2)cc1 ZINC000042906725 178905216 /nfs/dbraw/zinc/90/52/16/178905216.db2.gz SZPPFDDXWPDDFR-LBPRGKRZSA-N 2 2 201.273 1.740 10 0 BDAELP Cc1cccc(-n2c[nH+]cc2CC[NH3+])c1 ZINC000076638185 179001026 /nfs/dbraw/zinc/00/10/26/179001026.db2.gz IOWFQMWAYGWGIK-UHFFFAOYSA-N 2 2 201.273 1.682 10 0 BDAELP CCO[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000148534292 346302219 /nfs/dbraw/zinc/30/22/19/346302219.db2.gz YIWVMHCEGJARCH-OLZOCXBDSA-N 2 2 220.316 1.235 10 0 BDAELP CCO[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] ZINC000148534292 346302223 /nfs/dbraw/zinc/30/22/23/346302223.db2.gz YIWVMHCEGJARCH-OLZOCXBDSA-N 2 2 220.316 1.235 10 0 BDAELP Cc1[nH]c(CN2CC[C@@H]([NH+](C)C)C2)[nH+]c1C ZINC000628278395 346288254 /nfs/dbraw/zinc/28/82/54/346288254.db2.gz OWKMRXKXZIUGJJ-LLVKDONJSA-N 2 2 222.336 1.162 10 0 BDAELP CC(C)[NH+](C[C@@H]1C[NH2+]C[C@@H](C[NH3+])C1)C(C)C ZINC000669378798 537970337 /nfs/dbraw/zinc/97/03/37/537970337.db2.gz NVXJHVFTSYWIDC-OLZOCXBDSA-N 3 2 227.396 1.290 10 0 BDAELP Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](C[NH3+])C2)c1 ZINC000071544595 179081612 /nfs/dbraw/zinc/08/16/12/179081612.db2.gz LVYRFDIWWATGGD-TZMCWYRMSA-N 2 2 234.343 1.543 10 0 BDAELP Cc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](C[NH3+])C2)c1 ZINC000071544595 179081613 /nfs/dbraw/zinc/08/16/13/179081613.db2.gz LVYRFDIWWATGGD-TZMCWYRMSA-N 2 2 234.343 1.543 10 0 BDAELP c1cc2c(s1)CC[N@@H+](CC1C[NH2+]C1)C2 ZINC000164949215 346634366 /nfs/dbraw/zinc/63/43/66/346634366.db2.gz NOKZAZOSXNQFAV-UHFFFAOYSA-N 2 2 208.330 1.326 10 0 BDAELP c1cc2c(s1)CC[N@H+](CC1C[NH2+]C1)C2 ZINC000164949215 346634370 /nfs/dbraw/zinc/63/43/70/346634370.db2.gz NOKZAZOSXNQFAV-UHFFFAOYSA-N 2 2 208.330 1.326 10 0 BDAELP Cc1cccc(OCCC[NH2+]CC[NH+](C)C)c1 ZINC000041582441 179165624 /nfs/dbraw/zinc/16/56/24/179165624.db2.gz FOMSYEDYNWEPKX-UHFFFAOYSA-N 2 2 236.359 1.915 10 0 BDAELP Cc1cccc(OCC[N@H+](C)CC[NH3+])c1C ZINC000077334433 179167104 /nfs/dbraw/zinc/16/71/04/179167104.db2.gz AJIJWYGWEZXWNY-UHFFFAOYSA-N 2 2 222.332 1.573 10 0 BDAELP Cc1cccc(OCC[N@@H+](C)CC[NH3+])c1C ZINC000077334433 179167105 /nfs/dbraw/zinc/16/71/05/179167105.db2.gz AJIJWYGWEZXWNY-UHFFFAOYSA-N 2 2 222.332 1.573 10 0 BDAELP Cc1cccc([C@@H]([C@H](C)[NH3+])[NH+]2CCC(O)CC2)c1 ZINC000042965537 179187771 /nfs/dbraw/zinc/18/77/71/179187771.db2.gz ULPGOYGYUWCLID-SWLSCSKDSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@H+](CCO)C2CC2)c1 ZINC000042967508 179203893 /nfs/dbraw/zinc/20/38/93/179203893.db2.gz KMMNIXKRVIBONT-DOMZBBRYSA-N 2 2 248.370 1.840 10 0 BDAELP Cc1cccc([C@H]([C@@H](C)[NH3+])[N@@H+](CCO)C2CC2)c1 ZINC000042967508 179203895 /nfs/dbraw/zinc/20/38/95/179203895.db2.gz KMMNIXKRVIBONT-DOMZBBRYSA-N 2 2 248.370 1.840 10 0 BDAELP C[N@H+](CC(C)(C)C)[C@H]1COCC[C@H]1[NH3+] ZINC000250696529 362816555 /nfs/dbraw/zinc/81/65/55/362816555.db2.gz MBDZARHMJLBJAS-ZJUUUORDSA-N 2 2 200.326 1.081 10 0 BDAELP C[N@@H+](CC(C)(C)C)[C@H]1COCC[C@H]1[NH3+] ZINC000250696529 362816564 /nfs/dbraw/zinc/81/65/64/362816564.db2.gz MBDZARHMJLBJAS-ZJUUUORDSA-N 2 2 200.326 1.081 10 0 BDAELP C[C@H]1CSCC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC000251550907 362885952 /nfs/dbraw/zinc/88/59/52/362885952.db2.gz BFLJVLHHOCAMRQ-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP C[C@H]1CSCC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC000251550907 362885956 /nfs/dbraw/zinc/88/59/56/362885956.db2.gz BFLJVLHHOCAMRQ-UWVGGRQHSA-N 2 2 200.351 1.176 10 0 BDAELP Cc1ccc[nH+]c1N[C@@H]1CCC[N@@H+](C)C1 ZINC000051041045 179395869 /nfs/dbraw/zinc/39/58/69/179395869.db2.gz DXXBZRCNVPMTJW-LLVKDONJSA-N 2 2 205.305 1.896 10 0 BDAELP Cc1ccc[nH+]c1N[C@@H]1CCC[N@H+](C)C1 ZINC000051041045 179395871 /nfs/dbraw/zinc/39/58/71/179395871.db2.gz DXXBZRCNVPMTJW-LLVKDONJSA-N 2 2 205.305 1.896 10 0 BDAELP C[C@H]1CC[N@H+](Cc2ccsc2)C[C@H]1[NH3+] ZINC000251818537 362928228 /nfs/dbraw/zinc/92/82/28/362928228.db2.gz ZMXGYVVWJPVUBQ-GXSJLCMTSA-N 2 2 210.346 1.917 10 0 BDAELP C[C@H]1CC[N@@H+](Cc2ccsc2)C[C@H]1[NH3+] ZINC000251818537 362928230 /nfs/dbraw/zinc/92/82/30/362928230.db2.gz ZMXGYVVWJPVUBQ-GXSJLCMTSA-N 2 2 210.346 1.917 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC000251837154 362932416 /nfs/dbraw/zinc/93/24/16/362932416.db2.gz QBKGJVSBKYXGOS-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1CSCC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC000251837154 362932421 /nfs/dbraw/zinc/93/24/21/362932421.db2.gz QBKGJVSBKYXGOS-MNOVXSKESA-N 2 2 214.378 1.566 10 0 BDAELP COCCC[NH2+][C@@H]1C2CC[NH+](CC2)C12CC2 ZINC000616577842 349119566 /nfs/dbraw/zinc/11/95/66/349119566.db2.gz MZMZTWYZUOXUNI-GFCCVEGCSA-N 2 2 224.348 1.239 10 0 BDAELP Cc1[nH+]cnc(NC2CC[NH2+]CC2)c1C ZINC000045950813 180290882 /nfs/dbraw/zinc/29/08/82/180290882.db2.gz XEOGSAKQJBKPLN-UHFFFAOYSA-N 2 2 206.293 1.257 10 0 BDAELP Cc1[nH+]cn(-c2ncccc2C[NH3+])c1C ZINC000051925508 180286247 /nfs/dbraw/zinc/28/62/47/180286247.db2.gz BVCWTIFBCZCRFA-UHFFFAOYSA-N 2 2 202.261 1.343 10 0 BDAELP C/C(=C/Cl)C[N@H+]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000308115228 350529770 /nfs/dbraw/zinc/52/97/70/350529770.db2.gz WJWQHBJCNRSDNV-VAJAEUGUSA-N 2 2 202.729 1.798 10 0 BDAELP C/C(=C/Cl)C[N@@H+]1CC[C@H](C)[C@@H]([NH3+])C1 ZINC000308115228 350529774 /nfs/dbraw/zinc/52/97/74/350529774.db2.gz WJWQHBJCNRSDNV-VAJAEUGUSA-N 2 2 202.729 1.798 10 0 BDAELP OCC[N@@H+]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616600454 350780339 /nfs/dbraw/zinc/78/03/39/350780339.db2.gz FVANIKQBGFBRNL-GFCCVEGCSA-N 2 2 235.331 1.340 10 0 BDAELP OCC[N@H+]1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616600454 350780342 /nfs/dbraw/zinc/78/03/42/350780342.db2.gz FVANIKQBGFBRNL-GFCCVEGCSA-N 2 2 235.331 1.340 10 0 BDAELP Nc1cccc([C@H]2CCCCN2CC[NH3+])[nH+]1 ZINC000616614672 350837068 /nfs/dbraw/zinc/83/70/68/350837068.db2.gz IHCPGQNJEVTGRG-LLVKDONJSA-N 2 2 220.320 1.150 10 0 BDAELP Cc1sccc1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000306784423 351035405 /nfs/dbraw/zinc/03/54/05/351035405.db2.gz MBOATNWKHRXUMS-KCJUWKMLSA-N 2 2 210.346 1.978 10 0 BDAELP Cc1sccc1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000306784423 351035407 /nfs/dbraw/zinc/03/54/07/351035407.db2.gz MBOATNWKHRXUMS-KCJUWKMLSA-N 2 2 210.346 1.978 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccccc1CCO ZINC000616634675 351117955 /nfs/dbraw/zinc/11/79/55/351117955.db2.gz XDUARVFEOJYVBZ-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccccc1CCO ZINC000616634675 351117956 /nfs/dbraw/zinc/11/79/56/351117956.db2.gz XDUARVFEOJYVBZ-CQSZACIVSA-N 2 2 234.343 1.317 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2ccccc2F)C1 ZINC000616621691 351084125 /nfs/dbraw/zinc/08/41/25/351084125.db2.gz VWKCCCTTXDKXRE-LLVKDONJSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2ccccc2F)C1 ZINC000616621691 351084127 /nfs/dbraw/zinc/08/41/27/351084127.db2.gz VWKCCCTTXDKXRE-LLVKDONJSA-N 2 2 222.307 1.964 10 0 BDAELP [NH3+]CCN1CCCCC[C@@H]1c1c[nH+]c[nH]1 ZINC000616622944 351087458 /nfs/dbraw/zinc/08/74/58/351087458.db2.gz AOBIPJAHWMWRAO-LLVKDONJSA-N 2 2 208.309 1.286 10 0 BDAELP [NH3+]CCN1CCCCC[C@@H]1c1c[nH]c[nH+]1 ZINC000616622944 351087462 /nfs/dbraw/zinc/08/74/62/351087462.db2.gz AOBIPJAHWMWRAO-LLVKDONJSA-N 2 2 208.309 1.286 10 0 BDAELP Nc1ncccc1[C@@H]1CCCCC[N@@H+]1CC[NH3+] ZINC000616625105 351092855 /nfs/dbraw/zinc/09/28/55/351092855.db2.gz LGWGTDGXYGXDHA-LBPRGKRZSA-N 2 2 234.347 1.540 10 0 BDAELP Nc1ncccc1[C@@H]1CCCCC[N@H+]1CC[NH3+] ZINC000616625105 351092856 /nfs/dbraw/zinc/09/28/56/351092856.db2.gz LGWGTDGXYGXDHA-LBPRGKRZSA-N 2 2 234.347 1.540 10 0 BDAELP [NH3+]CC[N@@H+]1CCC[C@@H](c2cnoc2)CC1 ZINC000616627326 351094479 /nfs/dbraw/zinc/09/44/79/351094479.db2.gz IJBQEUHDCKNRTM-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP [NH3+]CC[N@H+]1CCC[C@@H](c2cnoc2)CC1 ZINC000616627326 351094481 /nfs/dbraw/zinc/09/44/81/351094481.db2.gz IJBQEUHDCKNRTM-SNVBAGLBSA-N 2 2 209.293 1.203 10 0 BDAELP CC(C)(C)[C@H]1C[N@H+](CC[NH3+])CCCO1 ZINC000616653493 351194008 /nfs/dbraw/zinc/19/40/08/351194008.db2.gz QKHSFIDSWYGYNS-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP CC(C)(C)[C@H]1C[N@@H+](CC[NH3+])CCCO1 ZINC000616653493 351194011 /nfs/dbraw/zinc/19/40/11/351194011.db2.gz QKHSFIDSWYGYNS-SNVBAGLBSA-N 2 2 200.326 1.082 10 0 BDAELP [NH3+]CCN1C[C@@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616672497 351237391 /nfs/dbraw/zinc/23/73/91/351237391.db2.gz POVIRDGAWXCHEZ-LBPRGKRZSA-N 2 2 242.326 1.515 10 0 BDAELP [NH3+]CCN1C[C@@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616672497 351237393 /nfs/dbraw/zinc/23/73/93/351237393.db2.gz POVIRDGAWXCHEZ-LBPRGKRZSA-N 2 2 242.326 1.515 10 0 BDAELP [NH3+]CCN1CCc2ccccc2[C@H]1c1c[nH+]c[nH]1 ZINC000616680909 351248221 /nfs/dbraw/zinc/24/82/21/351248221.db2.gz QZLXHYPXSGBAFP-AWEZNQCLSA-N 2 2 242.326 1.316 10 0 BDAELP [NH3+]CCN1CCc2ccccc2[C@H]1c1c[nH]c[nH+]1 ZINC000616680909 351248224 /nfs/dbraw/zinc/24/82/24/351248224.db2.gz QZLXHYPXSGBAFP-AWEZNQCLSA-N 2 2 242.326 1.316 10 0 BDAELP CC(C)[N@@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666572 351226376 /nfs/dbraw/zinc/22/63/76/351226376.db2.gz YXLKXSFHBVIBQA-CYBMUJFWSA-N 2 2 235.331 1.950 10 0 BDAELP CC(C)[N@H+]1CCO[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616666572 351226379 /nfs/dbraw/zinc/22/63/79/351226379.db2.gz YXLKXSFHBVIBQA-CYBMUJFWSA-N 2 2 235.331 1.950 10 0 BDAELP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CSCC[NH2+]2)C1 ZINC000129364637 351343724 /nfs/dbraw/zinc/34/37/24/351343724.db2.gz XMVATCYKQJRGSV-OUAUKWLOSA-N 2 2 214.378 1.470 10 0 BDAELP [NH3+]C[C@H]1CC[C@H]1[N@@H+]1CCC=C(Br)C1 ZINC000404537161 351498406 /nfs/dbraw/zinc/49/84/06/351498406.db2.gz HIYPDWFSUPBEAB-PSASIEDQSA-N 2 2 245.164 1.708 10 0 BDAELP [NH3+]C[C@H]1CC[C@H]1[N@H+]1CCC=C(Br)C1 ZINC000404537161 351498411 /nfs/dbraw/zinc/49/84/11/351498411.db2.gz HIYPDWFSUPBEAB-PSASIEDQSA-N 2 2 245.164 1.708 10 0 BDAELP CC[C@@H]1CS[C@]2(CCC[NH2+][C@@H]2C)[NH2+]1 ZINC000307201122 351602038 /nfs/dbraw/zinc/60/20/38/351602038.db2.gz ZMPJTPYBOBUCFU-BBBLOLIVSA-N 2 2 200.351 1.570 10 0 BDAELP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1C1CSC1 ZINC000307310882 351987471 /nfs/dbraw/zinc/98/74/71/351987471.db2.gz ZEZHPLJHHBFUHP-PSASIEDQSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1C1CSC1 ZINC000307310882 351987472 /nfs/dbraw/zinc/98/74/72/351987472.db2.gz ZEZHPLJHHBFUHP-PSASIEDQSA-N 2 2 200.351 1.304 10 0 BDAELP C[C@H]1C[C@@](C[NH3+])([NH+]2CC(C)(C)C2)CS1 ZINC000307322386 352016036 /nfs/dbraw/zinc/01/60/36/352016036.db2.gz YXLXFXZAMSEZAY-ONGXEEELSA-N 2 2 214.378 1.551 10 0 BDAELP C[C@H]1C[C@](C[NH3+])([NH+]2CC(C)(C)C2)CS1 ZINC000307322383 352016292 /nfs/dbraw/zinc/01/62/92/352016292.db2.gz YXLXFXZAMSEZAY-GXSJLCMTSA-N 2 2 214.378 1.551 10 0 BDAELP C[C@H]1C[N@H+](Cc2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630076888 363173498 /nfs/dbraw/zinc/17/34/98/363173498.db2.gz LMZDGLHJIDHRME-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP C[C@H]1C[N@@H+](Cc2ccncc2Cl)C[C@@H]1C[NH3+] ZINC000630076888 363173502 /nfs/dbraw/zinc/17/35/02/363173502.db2.gz LMZDGLHJIDHRME-ONGXEEELSA-N 2 2 239.750 1.762 10 0 BDAELP C[NH2+]C1CC[NH+](C/C(C)=C\Cl)CC1 ZINC000308106766 353885192 /nfs/dbraw/zinc/88/51/92/353885192.db2.gz HRTHSUFWDHCALF-CLFYSBASSA-N 2 2 202.729 1.813 10 0 BDAELP NC(=[NH2+])c1ccccc1OCCCn1cc[nH+]c1 ZINC000049328306 181196023 /nfs/dbraw/zinc/19/60/23/181196023.db2.gz SRNGDBPOZMZCEC-UHFFFAOYSA-N 2 2 244.298 1.636 10 0 BDAELP C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000117716326 356412952 /nfs/dbraw/zinc/41/29/52/356412952.db2.gz MGWVTGRKKDEHIA-LSDHHAIUSA-N 2 2 248.370 1.431 10 0 BDAELP C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000117716326 356412957 /nfs/dbraw/zinc/41/29/57/356412957.db2.gz MGWVTGRKKDEHIA-LSDHHAIUSA-N 2 2 248.370 1.431 10 0 BDAELP CCc1nc(N[C@H]2CC[N@@H+](CC)C2)cc(C)[nH+]1 ZINC000389405930 356490477 /nfs/dbraw/zinc/49/04/77/356490477.db2.gz LVGMUXPWTSDEQN-NSHDSACASA-N 2 2 234.347 1.275 10 0 BDAELP CCc1nc(N[C@H]2CC[N@H+](CC)C2)cc(C)[nH+]1 ZINC000389405930 356490480 /nfs/dbraw/zinc/49/04/80/356490480.db2.gz LVGMUXPWTSDEQN-NSHDSACASA-N 2 2 234.347 1.275 10 0 BDAELP C[C@@H]1[C@@H]2C[N@H+](Cc3ccccc3)C[C@]12[NH3+] ZINC000142001675 356466597 /nfs/dbraw/zinc/46/65/97/356466597.db2.gz HXQPSZLCWXFUED-WXHSDQCUSA-N 2 2 202.301 1.466 10 0 BDAELP C[C@@H]1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]12[NH3+] ZINC000142001675 356466601 /nfs/dbraw/zinc/46/66/01/356466601.db2.gz HXQPSZLCWXFUED-WXHSDQCUSA-N 2 2 202.301 1.466 10 0 BDAELP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCO)C2)C1 ZINC000384368500 356626917 /nfs/dbraw/zinc/62/69/17/356626917.db2.gz JKNRWHIXJQXKGQ-MGPQQGTHSA-N 2 2 240.391 1.611 10 0 BDAELP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCO)C2)C1 ZINC000384368500 356626920 /nfs/dbraw/zinc/62/69/20/356626920.db2.gz JKNRWHIXJQXKGQ-MGPQQGTHSA-N 2 2 240.391 1.611 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccc(Cl)s2)C[NH2+]C1 ZINC000675077582 538513622 /nfs/dbraw/zinc/51/36/22/538513622.db2.gz GHJJAAKOZKSDES-MRVPVSSYSA-N 2 2 228.748 1.801 10 0 BDAELP [NH3+][C@@H]1C=C(Cc2ccc(F)cc2)C[NH2+]C1 ZINC000675077585 538513629 /nfs/dbraw/zinc/51/36/29/538513629.db2.gz GIGKTJVXNFERRW-GFCCVEGCSA-N 2 2 206.264 1.225 10 0 BDAELP [NH3+][C@H]1C=C(Cc2ncccc2Cl)C[NH2+]C1 ZINC000675078076 538515458 /nfs/dbraw/zinc/51/54/58/538515458.db2.gz MBVAIFDURYJKCN-VIFPVBQESA-N 2 2 223.707 1.134 10 0 BDAELP [NH3+][C@@H]1C=C(c2ccsc2Cl)C[NH2+]C1 ZINC000675078069 538515514 /nfs/dbraw/zinc/51/55/14/538515514.db2.gz MAVKGNJXYKYZNP-SSDOTTSWSA-N 2 2 214.721 1.715 10 0 BDAELP COc1ccc(C2=C[C@H]([NH3+])C[NH2+]C2)s1 ZINC000675079389 538517965 /nfs/dbraw/zinc/51/79/65/538517965.db2.gz YFRYUBDZPHEIRE-QMMMGPOBSA-N 2 2 210.302 1.071 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000389537769 356982412 /nfs/dbraw/zinc/98/24/12/356982412.db2.gz JODBXVXWTFLSPK-AXFHLTTASA-N 2 2 200.326 1.094 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)C1 ZINC000389537769 356982416 /nfs/dbraw/zinc/98/24/16/356982416.db2.gz JODBXVXWTFLSPK-AXFHLTTASA-N 2 2 200.326 1.094 10 0 BDAELP C[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C[C@H]2F)C1 ZINC000685948406 538890792 /nfs/dbraw/zinc/89/07/92/538890792.db2.gz MPFYRNVGFNRMJT-MXWKQRLJSA-N 2 2 200.301 1.418 10 0 BDAELP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C[C@H]2F)C1 ZINC000685948406 538890794 /nfs/dbraw/zinc/89/07/94/538890794.db2.gz MPFYRNVGFNRMJT-MXWKQRLJSA-N 2 2 200.301 1.418 10 0 BDAELP Nc1cccc(C2=CC[C@@]3(C[C@@H]3[NH3+])CC2)[nH+]1 ZINC000685950788 538894567 /nfs/dbraw/zinc/89/45/67/538894567.db2.gz ZDSOYLCFSNJZPT-AAEUAGOBSA-N 2 2 215.300 1.949 10 0 BDAELP CCC[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000233307452 357711465 /nfs/dbraw/zinc/71/14/65/357711465.db2.gz FUSAFUDOXGIZRS-ZYHUDNBSSA-N 2 2 236.363 1.764 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000193446244 357928022 /nfs/dbraw/zinc/92/80/22/357928022.db2.gz GKMMHITZTDKXLL-LBPRGKRZSA-N 2 2 236.363 1.207 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000193446244 357928024 /nfs/dbraw/zinc/92/80/24/357928024.db2.gz GKMMHITZTDKXLL-LBPRGKRZSA-N 2 2 236.363 1.207 10 0 BDAELP O[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000045106979 358400368 /nfs/dbraw/zinc/40/03/68/358400368.db2.gz VVOQNHNLBYPIHE-CHWSQXEVSA-N 2 2 237.347 1.556 10 0 BDAELP COC[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247059834 359191959 /nfs/dbraw/zinc/19/19/59/359191959.db2.gz NZGREHVVVIILRS-YPMHNXCESA-N 2 2 237.347 1.691 10 0 BDAELP COC[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247059834 359191964 /nfs/dbraw/zinc/19/19/64/359191964.db2.gz NZGREHVVVIILRS-YPMHNXCESA-N 2 2 237.347 1.691 10 0 BDAELP COCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246896329 359173900 /nfs/dbraw/zinc/17/39/00/359173900.db2.gz BHXSVHOIAOIOTQ-VXGBXAGGSA-N 2 2 223.320 1.412 10 0 BDAELP COCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246896329 359173907 /nfs/dbraw/zinc/17/39/07/359173907.db2.gz BHXSVHOIAOIOTQ-VXGBXAGGSA-N 2 2 223.320 1.412 10 0 BDAELP CC[C@@H]1C[NH2+]C[C@H]1[NH+]1CCSCC1 ZINC000160963852 359592857 /nfs/dbraw/zinc/59/28/57/359592857.db2.gz AYCGXSBAZMWJPR-NXEZZACHSA-N 2 2 200.351 1.033 10 0 BDAELP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC000306520473 360344485 /nfs/dbraw/zinc/34/44/85/360344485.db2.gz DRDJZOFWVTXNDD-OPRDCNLKSA-N 2 2 200.351 1.080 10 0 BDAELP C[NH2+]C1(C[NH+]2CCSCC2)CCCC1 ZINC000306568525 360450308 /nfs/dbraw/zinc/45/03/08/360450308.db2.gz UYPKVQFMLVKGOH-UHFFFAOYSA-N 2 2 214.378 1.567 10 0 BDAELP C[C@H](C[NH2+]CC1CCOCC1)[N@H+](C)C1CC1 ZINC000155972238 201377794 /nfs/dbraw/zinc/37/77/94/201377794.db2.gz BNLNWAJFNFUMTC-LLVKDONJSA-N 2 2 226.364 1.485 10 0 BDAELP C[C@H](C[NH2+]CC1CCOCC1)[N@@H+](C)C1CC1 ZINC000155972238 201377797 /nfs/dbraw/zinc/37/77/97/201377797.db2.gz BNLNWAJFNFUMTC-LLVKDONJSA-N 2 2 226.364 1.485 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccc(C)cc2)[C@](C)(C[NH3+])C1 ZINC000630361484 364080943 /nfs/dbraw/zinc/08/09/43/364080943.db2.gz MHYGUMIHIJZWLZ-GJZGRUSLSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccc(C)cc2)[C@](C)(C[NH3+])C1 ZINC000630361484 364080947 /nfs/dbraw/zinc/08/09/47/364080947.db2.gz MHYGUMIHIJZWLZ-GJZGRUSLSA-N 2 2 248.370 1.933 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630364012 364081925 /nfs/dbraw/zinc/08/19/25/364081925.db2.gz OEPIVCKEFRZRDX-CHWSQXEVSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cccnc2)[C@@](C)(C[NH3+])C1 ZINC000630364012 364081926 /nfs/dbraw/zinc/08/19/26/364081926.db2.gz OEPIVCKEFRZRDX-CHWSQXEVSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccncc2)[C@](C)(C[NH3+])C1 ZINC000630367291 364084953 /nfs/dbraw/zinc/08/49/53/364084953.db2.gz NNAWHQBXHHSIPR-STQMWFEESA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccncc2)[C@](C)(C[NH3+])C1 ZINC000630367291 364084954 /nfs/dbraw/zinc/08/49/54/364084954.db2.gz NNAWHQBXHHSIPR-STQMWFEESA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@H]1C[N@H+](Cc2cncc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364083 364083403 /nfs/dbraw/zinc/08/34/03/364083403.db2.gz CMPMYPOVNQWSOC-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@H]1C[N@@H+](Cc2cncc(C)c2)[C@](C)(C[NH3+])C1 ZINC000630364083 364083406 /nfs/dbraw/zinc/08/34/06/364083406.db2.gz CMPMYPOVNQWSOC-KGLIPLIRSA-N 2 2 249.358 1.328 10 0 BDAELP CO[C@@H]1C[N@H+](Cc2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630367289 364085136 /nfs/dbraw/zinc/08/51/36/364085136.db2.gz NNAWHQBXHHSIPR-QWHCGFSZSA-N 2 2 235.331 1.020 10 0 BDAELP CO[C@@H]1C[N@@H+](Cc2ccncc2)[C@@](C)(C[NH3+])C1 ZINC000630367289 364085142 /nfs/dbraw/zinc/08/51/42/364085142.db2.gz NNAWHQBXHHSIPR-QWHCGFSZSA-N 2 2 235.331 1.020 10 0 BDAELP [NH3+]CCCOc1cc[nH+]c2ccccc21 ZINC000051870786 181384847 /nfs/dbraw/zinc/38/48/47/181384847.db2.gz JMIDYZHBGZLSKV-UHFFFAOYSA-N 2 2 202.257 1.962 10 0 BDAELP CCC[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000052422596 541514470 /nfs/dbraw/zinc/51/44/70/541514470.db2.gz XWQDYCFGKFLOBG-UHFFFAOYSA-N 2 2 213.350 1.704 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)C1CC1 ZINC000581005729 367231102 /nfs/dbraw/zinc/23/11/02/367231102.db2.gz DWBFIUFFKWRDOI-AVGNSLFASA-N 3 2 239.407 1.447 10 0 BDAELP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)C1CC1 ZINC000581005729 367231104 /nfs/dbraw/zinc/23/11/04/367231104.db2.gz DWBFIUFFKWRDOI-AVGNSLFASA-N 3 2 239.407 1.447 10 0 BDAELP C[C@H]([NH2+]C[C@H](O)C(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000386532602 367987225 /nfs/dbraw/zinc/98/72/25/367987225.db2.gz AXHSHZFOCOEUEI-CIUDSAMLSA-N 2 2 240.269 1.030 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253191736 368611387 /nfs/dbraw/zinc/61/13/87/368611387.db2.gz MLPUMLQFUMUQPZ-GHMZBOCLSA-N 2 2 235.331 1.511 10 0 BDAELP COc1cc(N2CCC([NH3+])CC2)ccc1[NH3+] ZINC000114003423 368915720 /nfs/dbraw/zinc/91/57/20/368915720.db2.gz CWFWLUUHMXCLOB-UHFFFAOYSA-N 2 2 221.304 1.205 10 0 BDAELP C[C@H](C[NH3+])[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000226413488 371663878 /nfs/dbraw/zinc/66/38/78/371663878.db2.gz MEAITSZDVAROOE-SECBINFHSA-N 2 2 200.326 1.223 10 0 BDAELP C[C@@H]1CSCC[N@@H+]1C[C@@]1(C)CCC[NH2+]1 ZINC000227088552 371781407 /nfs/dbraw/zinc/78/14/07/371781407.db2.gz AHRFEUPPIRJADD-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[C@@H]1CSCC[N@H+]1C[C@@]1(C)CCC[NH2+]1 ZINC000227088552 371781413 /nfs/dbraw/zinc/78/14/13/371781413.db2.gz AHRFEUPPIRJADD-GHMZBOCLSA-N 2 2 214.378 1.566 10 0 BDAELP C[NH2+]C(C)(C)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132490684 371837797 /nfs/dbraw/zinc/83/77/97/371837797.db2.gz JVDWBMOZCXWAAW-UWVGGRQHSA-N 2 2 216.394 1.810 10 0 BDAELP C[NH2+]C(C)(C)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000132490684 371837803 /nfs/dbraw/zinc/83/78/03/371837803.db2.gz JVDWBMOZCXWAAW-UWVGGRQHSA-N 2 2 216.394 1.810 10 0 BDAELP CC[C@@H]([NH3+])[C@@H](CO)[N@H+](C)Cc1ccccc1 ZINC000163211674 371952650 /nfs/dbraw/zinc/95/26/50/371952650.db2.gz RFVXHHBFPMCKHD-CHWSQXEVSA-N 2 2 222.332 1.217 10 0 BDAELP CC[C@@H]([NH3+])[C@@H](CO)[N@@H+](C)Cc1ccccc1 ZINC000163211674 371952658 /nfs/dbraw/zinc/95/26/58/371952658.db2.gz RFVXHHBFPMCKHD-CHWSQXEVSA-N 2 2 222.332 1.217 10 0 BDAELP Cc1ccc([C@H]([NH3+])Cn2cc[nH+]c2)s1 ZINC000059112831 372142830 /nfs/dbraw/zinc/14/28/30/372142830.db2.gz SXNDZYRHYUROJV-SECBINFHSA-N 2 2 207.302 1.953 10 0 BDAELP CCC[N@H+]([C@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043638430 169091339 /nfs/dbraw/zinc/09/13/39/169091339.db2.gz MKCDBKUKTKEKKW-LLVKDONJSA-N 2 2 242.363 1.402 10 0 BDAELP CCC[N@@H+]([C@H](C)C(=O)OCC)C1CC[NH2+]CC1 ZINC000043638430 169091340 /nfs/dbraw/zinc/09/13/40/169091340.db2.gz MKCDBKUKTKEKKW-LLVKDONJSA-N 2 2 242.363 1.402 10 0 BDAELP CCC[N@H+](CC(=O)NC)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042406218 169096209 /nfs/dbraw/zinc/09/62/09/169096209.db2.gz HOLHDTFFFTXTCI-RYUDHWBXSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[N@@H+](CC(=O)NC)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042406218 169096210 /nfs/dbraw/zinc/09/62/10/169096210.db2.gz HOLHDTFFFTXTCI-RYUDHWBXSA-N 2 2 241.379 1.104 10 0 BDAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906515 169166086 /nfs/dbraw/zinc/16/60/86/169166086.db2.gz OQCUGKSIUZGWBE-AWEZNQCLSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1ccc(C)cc1 ZINC000042906515 169166088 /nfs/dbraw/zinc/16/60/88/169166088.db2.gz OQCUGKSIUZGWBE-AWEZNQCLSA-N 2 2 236.359 1.699 10 0 BDAELP CCC[N@H+](CCO)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042915048 169167783 /nfs/dbraw/zinc/16/77/83/169167783.db2.gz KCVADMJZAZCKCY-ZDUSSCGKSA-N 2 2 240.322 1.530 10 0 BDAELP CCC[N@@H+](CCO)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042915048 169167785 /nfs/dbraw/zinc/16/77/85/169167785.db2.gz KCVADMJZAZCKCY-ZDUSSCGKSA-N 2 2 240.322 1.530 10 0 BDAELP CCC[NH2+]C[C@@H](C)C[N@H+](C)C1CC[NH+](C)CC1 ZINC000052419796 169261742 /nfs/dbraw/zinc/26/17/42/169261742.db2.gz UCTHEUQLNGRBCT-CYBMUJFWSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+]C[C@@H](C)C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000052419796 169261745 /nfs/dbraw/zinc/26/17/45/169261745.db2.gz UCTHEUQLNGRBCT-CYBMUJFWSA-N 3 2 241.423 1.648 10 0 BDAELP CCC[NH2+]C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000040398002 169264452 /nfs/dbraw/zinc/26/44/52/169264452.db2.gz ZJIDNSUMNZHBCH-CYBMUJFWSA-N 2 2 204.317 1.701 10 0 BDAELP Cc1nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc[nH+]1 ZINC000309452524 384089545 /nfs/dbraw/zinc/08/95/45/384089545.db2.gz RIVJNSRKEXRFEA-BXKDBHETSA-N 2 2 220.320 1.206 10 0 BDAELP CC[C@H]([NH3+])[C@@H](C)[N@@H+]1CCOC(C)(C)C1 ZINC000036232347 384186104 /nfs/dbraw/zinc/18/61/04/384186104.db2.gz FQGMQPPPSKRDOW-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP CC[C@H]([NH3+])[C@@H](C)[N@H+]1CCOC(C)(C)C1 ZINC000036232347 384186107 /nfs/dbraw/zinc/18/61/07/384186107.db2.gz FQGMQPPPSKRDOW-ZJUUUORDSA-N 2 2 200.326 1.223 10 0 BDAELP C[N@H+](Cc1ccnc(Cl)n1)C1CC[NH2+]CC1 ZINC000095070737 384338264 /nfs/dbraw/zinc/33/82/64/384338264.db2.gz VNOYTLFYPUOERL-UHFFFAOYSA-N 2 2 240.738 1.314 10 0 BDAELP C[N@@H+](Cc1ccnc(Cl)n1)C1CC[NH2+]CC1 ZINC000095070737 384338273 /nfs/dbraw/zinc/33/82/73/384338273.db2.gz VNOYTLFYPUOERL-UHFFFAOYSA-N 2 2 240.738 1.314 10 0 BDAELP CN(C[C@H]1CCC[NH2+]C1)c1[nH+]cccc1O ZINC000095071093 384339161 /nfs/dbraw/zinc/33/91/61/384339161.db2.gz VGKSLDGMLGMNIL-JTQLQIEISA-N 2 2 221.304 1.223 10 0 BDAELP C[N@@H+](Cc1ccc(Cl)nn1)C[C@@H]1CC[NH2+]C1 ZINC000095071290 384340384 /nfs/dbraw/zinc/34/03/84/384340384.db2.gz UHIIWMRDMSNLJG-SECBINFHSA-N 2 2 240.738 1.171 10 0 BDAELP C[N@H+](Cc1ccc(Cl)nn1)C[C@@H]1CC[NH2+]C1 ZINC000095071290 384340389 /nfs/dbraw/zinc/34/03/89/384340389.db2.gz UHIIWMRDMSNLJG-SECBINFHSA-N 2 2 240.738 1.171 10 0 BDAELP [NH3+][C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(Cl)n1 ZINC000095072303 384343461 /nfs/dbraw/zinc/34/34/61/384343461.db2.gz LOHCYXOLSPQMPU-VHSXEESVSA-N 2 2 240.738 1.490 10 0 BDAELP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000335644700 384417632 /nfs/dbraw/zinc/41/76/32/384417632.db2.gz YBJTUMQHUUOVKP-MFKMUULPSA-N 2 2 220.316 1.622 10 0 BDAELP Cc1c[nH+]ccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000121646031 384433440 /nfs/dbraw/zinc/43/34/40/384433440.db2.gz LIGLRWGLSQRCDO-NSHDSACASA-N 2 2 248.330 1.558 10 0 BDAELP COc1ccc[nH+]c1N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000164006978 384506414 /nfs/dbraw/zinc/50/64/14/384506414.db2.gz MLPUMLQFUMUQPZ-QWRGUYRKSA-N 2 2 235.331 1.511 10 0 BDAELP Cc1ccc([C@@H](C[NH3+])n2cc[nH+]c2)s1 ZINC000043243447 384672162 /nfs/dbraw/zinc/67/21/62/384672162.db2.gz JNPALXGWBJXQFR-SECBINFHSA-N 2 2 207.302 1.801 10 0 BDAELP CC(C)c1nc(N(C)CCC[NH3+])cc[nH+]1 ZINC000107207200 384780438 /nfs/dbraw/zinc/78/04/38/384780438.db2.gz CJIWRXSXQADMFK-UHFFFAOYSA-N 2 2 208.309 1.385 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cccc(Br)c1F ZINC000072201281 384815357 /nfs/dbraw/zinc/81/53/57/384815357.db2.gz RGFXAZBJMPYPQH-SSDOTTSWSA-N 2 2 233.084 1.547 10 0 BDAELP [NH3+]C[C@H]([NH3+])c1ccc(F)c(C(F)(F)F)c1 ZINC000072201038 384815589 /nfs/dbraw/zinc/81/55/89/384815589.db2.gz NQUIWOCACFTELF-QMMMGPOBSA-N 2 2 222.185 1.803 10 0 BDAELP [NH3+]C[C@@H]([NH3+])c1cc(F)cc(C(F)(F)F)c1 ZINC000072201033 384816434 /nfs/dbraw/zinc/81/64/34/384816434.db2.gz FWFMYGKUYQPYCO-MRVPVSSYSA-N 2 2 222.185 1.803 10 0 BDAELP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccncc1 ZINC000335644667 384803487 /nfs/dbraw/zinc/80/34/87/384803487.db2.gz WUJCIZDTKAMEHS-CMPLNLGQSA-N 2 2 205.305 1.312 10 0 BDAELP C([N@@H+]1CCO[C@@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992584 384896047 /nfs/dbraw/zinc/89/60/47/384896047.db2.gz USLSCUCRKJVHNE-YIFLHPOLSA-N 2 2 236.359 1.382 10 0 BDAELP C([N@H+]1CCO[C@@H]2CCCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634992584 384896054 /nfs/dbraw/zinc/89/60/54/384896054.db2.gz USLSCUCRKJVHNE-YIFLHPOLSA-N 2 2 236.359 1.382 10 0 BDAELP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC[NH+](C)C)C12CCC2 ZINC000365122941 384905298 /nfs/dbraw/zinc/90/52/98/384905298.db2.gz FLCYVJVGAYLYAV-GRYCIOLGSA-N 2 2 226.364 1.341 10 0 BDAELP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCCCCC2=O)C1 ZINC000062749586 385228856 /nfs/dbraw/zinc/22/88/56/385228856.db2.gz QRMRGCBVQQZYCM-WDEREUQCSA-N 2 2 210.321 1.311 10 0 BDAELP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCCCCC2=O)C1 ZINC000062749586 385228861 /nfs/dbraw/zinc/22/88/61/385228861.db2.gz QRMRGCBVQQZYCM-WDEREUQCSA-N 2 2 210.321 1.311 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000178473023 385285153 /nfs/dbraw/zinc/28/51/53/385285153.db2.gz GAIAFLNSZPSTFJ-STQMWFEESA-N 2 2 228.380 1.875 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCCOC)C1 ZINC000178473023 385285158 /nfs/dbraw/zinc/28/51/58/385285158.db2.gz GAIAFLNSZPSTFJ-STQMWFEESA-N 2 2 228.380 1.875 10 0 BDAELP CC[C@@H]([NH3+])C[N@@H+]1CCc2sccc2C1 ZINC000036871948 385588433 /nfs/dbraw/zinc/58/84/33/385588433.db2.gz RDDMNEMQUSSFMB-SNVBAGLBSA-N 2 2 210.346 1.844 10 0 BDAELP CC[C@@H]([NH3+])C[N@H+]1CCc2sccc2C1 ZINC000036871948 385588438 /nfs/dbraw/zinc/58/84/38/385588438.db2.gz RDDMNEMQUSSFMB-SNVBAGLBSA-N 2 2 210.346 1.844 10 0 BDAELP CC(C)([NH3+])C[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000211286761 385677457 /nfs/dbraw/zinc/67/74/57/385677457.db2.gz FBBTXKIBAJHVMA-NSHDSACASA-N 2 2 236.315 1.185 10 0 BDAELP Nc1ccc(SC[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000051891151 386629850 /nfs/dbraw/zinc/62/98/50/386629850.db2.gz AVLIUSHNRLCKBW-QMMMGPOBSA-N 2 2 209.318 1.365 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000230374605 134508054 /nfs/dbraw/zinc/50/80/54/134508054.db2.gz OXIFNQPBCJTWPT-LBPRGKRZSA-N 2 2 214.353 1.221 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000230374605 134508055 /nfs/dbraw/zinc/50/80/55/134508055.db2.gz OXIFNQPBCJTWPT-LBPRGKRZSA-N 2 2 214.353 1.221 10 0 BDAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341464260 386916130 /nfs/dbraw/zinc/91/61/30/386916130.db2.gz PUFVZFNIWRQZSR-HKUMRIAESA-N 2 2 240.391 1.730 10 0 BDAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341464260 386916135 /nfs/dbraw/zinc/91/61/35/386916135.db2.gz PUFVZFNIWRQZSR-HKUMRIAESA-N 2 2 240.391 1.730 10 0 BDAELP COC[C@@H](C)[N@H+](C)CC[NH2+]Cc1ccccc1 ZINC000053391984 387755745 /nfs/dbraw/zinc/75/57/45/387755745.db2.gz BVRCGWCVKJYMPN-CYBMUJFWSA-N 2 2 236.359 1.743 10 0 BDAELP COC[C@@H](C)[N@@H+](C)CC[NH2+]Cc1ccccc1 ZINC000053391984 387755748 /nfs/dbraw/zinc/75/57/48/387755748.db2.gz BVRCGWCVKJYMPN-CYBMUJFWSA-N 2 2 236.359 1.743 10 0 BDAELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cnn(C)c1 ZINC000396646515 387928211 /nfs/dbraw/zinc/92/82/11/387928211.db2.gz CGOSDLDIDVUVIE-UMNHJUIQSA-N 2 2 222.336 1.211 10 0 BDAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc[nH+]c1 ZINC000245590362 387963087 /nfs/dbraw/zinc/96/30/87/387963087.db2.gz GAJWMAFGAXZBOK-OLZOCXBDSA-N 2 2 234.347 1.052 10 0 BDAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CCn1cc[nH+]c1 ZINC000245590362 387963089 /nfs/dbraw/zinc/96/30/89/387963089.db2.gz GAJWMAFGAXZBOK-OLZOCXBDSA-N 2 2 234.347 1.052 10 0 BDAELP CC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)C1 ZINC000323022063 387991222 /nfs/dbraw/zinc/99/12/22/387991222.db2.gz JNOHBWVAXAADQY-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)C1 ZINC000323022063 387991226 /nfs/dbraw/zinc/99/12/26/387991226.db2.gz JNOHBWVAXAADQY-RYUDHWBXSA-N 2 2 214.353 1.485 10 0 BDAELP CCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000328459133 388643390 /nfs/dbraw/zinc/64/33/90/388643390.db2.gz GNSMTAFLVXGFIF-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP CCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000328459133 388643391 /nfs/dbraw/zinc/64/33/91/388643391.db2.gz GNSMTAFLVXGFIF-WDEREUQCSA-N 2 2 200.326 1.095 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000250694469 388700815 /nfs/dbraw/zinc/70/08/15/388700815.db2.gz AWKWXITXBWLLJK-ZYHUDNBSSA-N 2 2 222.336 1.022 10 0 BDAELP C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000250694469 388700819 /nfs/dbraw/zinc/70/08/19/388700819.db2.gz AWKWXITXBWLLJK-ZYHUDNBSSA-N 2 2 222.336 1.022 10 0 BDAELP CCc1nc(N2CCC([NH3+])CC2)c(CC)c(C)[nH+]1 ZINC000045951024 132299344 /nfs/dbraw/zinc/29/93/44/132299344.db2.gz IIUPOCDKNCWNHC-UHFFFAOYSA-N 2 2 248.374 1.837 10 0 BDAELP CC[C@](C)(C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019518496 132325999 /nfs/dbraw/zinc/32/59/99/132325999.db2.gz DADZMTYKIVAWEI-OAHLLOKOSA-N 2 2 247.386 1.936 10 0 BDAELP C[C@H]1C[NH2+]CCN1c1ccc([NH+](C)C)cc1 ZINC000041233456 132349827 /nfs/dbraw/zinc/34/98/27/132349827.db2.gz SAUUQIVPVXEAPX-NSHDSACASA-N 2 2 219.332 1.551 10 0 BDAELP C[C@@H]1CN(c2cc[nH+]c(C[NH3+])c2)[C@H](C)CO1 ZINC000051396869 132360436 /nfs/dbraw/zinc/36/04/36/132360436.db2.gz LRNORWMVPQNTDO-NXEZZACHSA-N 2 2 221.304 1.154 10 0 BDAELP C[NH2+]Cc1ccnc(N2CCn3cc[nH+]c3C2)c1 ZINC000062324356 132387683 /nfs/dbraw/zinc/38/76/83/132387683.db2.gz WFMGTWBMYMNWFR-UHFFFAOYSA-N 2 2 243.314 1.018 10 0 BDAELP C[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[NH+](C)C ZINC000251088064 135064271 /nfs/dbraw/zinc/06/42/71/135064271.db2.gz JOJXIZGFYNPMLN-WRWGMCAJSA-N 2 2 226.364 1.340 10 0 BDAELP Cn1c2ccccc2[nH+]c1N1CCC(C[NH3+])CC1 ZINC000079047940 135268281 /nfs/dbraw/zinc/26/82/81/135268281.db2.gz NIPHCPVGQXKUEP-UHFFFAOYSA-N 2 2 244.342 1.748 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCO[C@H](C)C1 ZINC000061916995 167105350 /nfs/dbraw/zinc/10/53/50/167105350.db2.gz LNBIVUIHJJGQFJ-LLVKDONJSA-N 2 2 200.326 1.095 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCO[C@H](C)C1 ZINC000061916995 167105352 /nfs/dbraw/zinc/10/53/52/167105352.db2.gz LNBIVUIHJJGQFJ-LLVKDONJSA-N 2 2 200.326 1.095 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@@H+]1CCOCc1ccccc1 ZINC000306345311 487608621 /nfs/dbraw/zinc/60/86/21/487608621.db2.gz OFBVQGTXDRJQHU-AWEZNQCLSA-N 2 2 234.343 1.626 10 0 BDAELP [NH3+]C[C@@H]1CCC[N@H+]1CCOCc1ccccc1 ZINC000306345311 487608627 /nfs/dbraw/zinc/60/86/27/487608627.db2.gz OFBVQGTXDRJQHU-AWEZNQCLSA-N 2 2 234.343 1.626 10 0 BDAELP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000394511248 410805510 /nfs/dbraw/zinc/80/55/10/410805510.db2.gz ZCLFSFWYGZBVQM-QWRGUYRKSA-N 2 2 248.317 1.471 10 0 BDAELP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000394511248 410805517 /nfs/dbraw/zinc/80/55/17/410805517.db2.gz ZCLFSFWYGZBVQM-QWRGUYRKSA-N 2 2 248.317 1.471 10 0 BDAELP CC(C)C[NH2+]C[C@H](C)C[N@@H+]1CCOC(C)(C)C1 ZINC000052481767 167006791 /nfs/dbraw/zinc/00/67/91/167006791.db2.gz VAXHHVJDRADTNO-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)C[NH2+]C[C@H](C)C[N@H+]1CCOC(C)(C)C1 ZINC000052481767 167006794 /nfs/dbraw/zinc/00/67/94/167006794.db2.gz VAXHHVJDRADTNO-ZDUSSCGKSA-N 2 2 242.407 1.979 10 0 BDAELP CC(C)[NH2+]CC[N@@H+]1CCCC[C@H](CO)C1 ZINC000309006053 167105078 /nfs/dbraw/zinc/10/50/78/167105078.db2.gz PVHISKPYFJUQBZ-LBPRGKRZSA-N 2 2 214.353 1.079 10 0 BDAELP CC(C)[NH2+]CC[N@H+]1CCCC[C@H](CO)C1 ZINC000309006053 167105079 /nfs/dbraw/zinc/10/50/79/167105079.db2.gz PVHISKPYFJUQBZ-LBPRGKRZSA-N 2 2 214.353 1.079 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000061935566 167113119 /nfs/dbraw/zinc/11/31/19/167113119.db2.gz FTINPIRRLXBJQF-NWDGAFQWSA-N 2 2 214.353 1.484 10 0 BDAELP CC(C)[NH2+]C[C@H](C)[N@H+]1CCCO[C@H](C)C1 ZINC000061935566 167113121 /nfs/dbraw/zinc/11/31/21/167113121.db2.gz FTINPIRRLXBJQF-NWDGAFQWSA-N 2 2 214.353 1.484 10 0 BDAELP CC(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)nn1 ZINC000051490140 167119653 /nfs/dbraw/zinc/11/96/53/167119653.db2.gz ICBFFQNMZITGFZ-UHFFFAOYSA-N 2 2 217.276 1.160 10 0 BDAELP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702117 411326601 /nfs/dbraw/zinc/32/66/01/411326601.db2.gz LPWBTDKHPDJALL-NWDGAFQWSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702117 411326603 /nfs/dbraw/zinc/32/66/03/411326603.db2.gz LPWBTDKHPDJALL-NWDGAFQWSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702119 411326740 /nfs/dbraw/zinc/32/67/40/411326740.db2.gz LPWBTDKHPDJALL-VXGBXAGGSA-N 2 2 242.407 1.856 10 0 BDAELP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702119 411326742 /nfs/dbraw/zinc/32/67/42/411326742.db2.gz LPWBTDKHPDJALL-VXGBXAGGSA-N 2 2 242.407 1.856 10 0 BDAELP CC1CC[NH+]([C@H](C[NH3+])c2ccccn2)CC1 ZINC000019398473 168188095 /nfs/dbraw/zinc/18/80/95/168188095.db2.gz AIAGOMVDVFDSBU-CYBMUJFWSA-N 2 2 219.332 1.813 10 0 BDAELP COc1ccc[nH+]c1N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000127497254 411492279 /nfs/dbraw/zinc/49/22/79/411492279.db2.gz MRSCMVSLXGKLCE-MNOVXSKESA-N 2 2 235.331 1.654 10 0 BDAELP CC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336891769 170010882 /nfs/dbraw/zinc/01/08/82/170010882.db2.gz IWPRGPALYUDKDD-VXGBXAGGSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336891769 170010884 /nfs/dbraw/zinc/01/08/84/170010884.db2.gz IWPRGPALYUDKDD-VXGBXAGGSA-N 2 2 212.337 1.097 10 0 BDAELP CC[N@@H+]1CC[C@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666736 170014329 /nfs/dbraw/zinc/01/43/29/170014329.db2.gz HPAHYAHOXKAVIE-ZDUSSCGKSA-N 3 2 225.380 1.014 10 0 BDAELP CC[N@H+]1CC[C@H](C[NH+]2CCC[NH2+]CCC2)C1 ZINC000049666736 170014330 /nfs/dbraw/zinc/01/43/30/170014330.db2.gz HPAHYAHOXKAVIE-ZDUSSCGKSA-N 3 2 225.380 1.014 10 0 BDAELP CC[NH2+]C(C)(C)C[N@@H+]1CCCOCC1 ZINC000061934724 170106974 /nfs/dbraw/zinc/10/69/74/170106974.db2.gz SOCGAWWQGZTVHO-UHFFFAOYSA-N 2 2 200.326 1.097 10 0 BDAELP CC[NH2+]C(C)(C)C[N@H+]1CCCOCC1 ZINC000061934724 170106975 /nfs/dbraw/zinc/10/69/75/170106975.db2.gz SOCGAWWQGZTVHO-UHFFFAOYSA-N 2 2 200.326 1.097 10 0 BDAELP CC[NH2+][C@@H]1CCC[C@H]1CN1CCn2cc[nH+]c2C1 ZINC000062322318 170151554 /nfs/dbraw/zinc/15/15/54/170151554.db2.gz PXZLFBHJJARYDS-QWHCGFSZSA-N 2 2 248.374 1.477 10 0 BDAELP CC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000049712913 170152304 /nfs/dbraw/zinc/15/23/04/170152304.db2.gz UMHZFZFGZRTFDO-BFHYXJOUSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CC[NH+](C)C2)C[C@@H]1C ZINC000049712913 170152305 /nfs/dbraw/zinc/15/23/05/170152305.db2.gz UMHZFZFGZRTFDO-BFHYXJOUSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@H+](C)C2)C[C@@H]1C ZINC000049712913 170152306 /nfs/dbraw/zinc/15/23/06/170152306.db2.gz UMHZFZFGZRTFDO-BFHYXJOUSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH2+][C@@H]1CC[NH+](C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1C ZINC000049712913 170152307 /nfs/dbraw/zinc/15/23/07/170152307.db2.gz UMHZFZFGZRTFDO-BFHYXJOUSA-N 3 2 239.407 1.258 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@H]1C[N@@H+]1CCOC[C@@H]1C ZINC000053858145 170165725 /nfs/dbraw/zinc/16/57/25/170165725.db2.gz ROELUMVACSOCBO-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCCC[C@H]1C[N@H+]1CCOC[C@@H]1C ZINC000053858145 170165726 /nfs/dbraw/zinc/16/57/26/170165726.db2.gz ROELUMVACSOCBO-IHRRRGAJSA-N 2 2 240.391 1.875 10 0 BDAELP CC[NH2+][C@H]1CCOC[C@@H]1[NH+]1CCC(C)CC1 ZINC000043806791 170168630 /nfs/dbraw/zinc/16/86/30/170168630.db2.gz KHGDMJWQGMWVNC-STQMWFEESA-N 2 2 226.364 1.485 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1Cc1occc1C[NH3+] ZINC000052481477 171107502 /nfs/dbraw/zinc/10/75/02/171107502.db2.gz QHFXQQWXZJQBSC-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1COCC[N@H+]1Cc1occc1C[NH3+] ZINC000052481477 171107504 /nfs/dbraw/zinc/10/75/04/171107504.db2.gz QHFXQQWXZJQBSC-LLVKDONJSA-N 2 2 224.304 1.349 10 0 BDAELP CC[C@@H]1COCC[N@@H+]1[C@@](C)(C[NH3+])C1CC1 ZINC000036325988 171108370 /nfs/dbraw/zinc/10/83/70/171108370.db2.gz HNFOPGWLHWQRFL-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@@H]1COCC[N@H+]1[C@@](C)(C[NH3+])C1CC1 ZINC000036325988 171108371 /nfs/dbraw/zinc/10/83/71/171108371.db2.gz HNFOPGWLHWQRFL-NEPJUHHUSA-N 2 2 212.337 1.225 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020071798 171396627 /nfs/dbraw/zinc/39/66/27/171396627.db2.gz AEOMCVPJECVQNP-NNYUYHANSA-N 2 2 214.353 1.469 10 0 BDAELP CC[C@H](C)[C@H]([NH3+])C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000020071798 171396629 /nfs/dbraw/zinc/39/66/29/171396629.db2.gz AEOMCVPJECVQNP-NNYUYHANSA-N 2 2 214.353 1.469 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCO)C1 ZINC000105922542 172028875 /nfs/dbraw/zinc/02/88/75/172028875.db2.gz YEDPDGOLVVZFEZ-GFCCVEGCSA-N 2 2 237.347 1.465 10 0 BDAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000105922542 172028876 /nfs/dbraw/zinc/02/88/76/172028876.db2.gz YEDPDGOLVVZFEZ-GFCCVEGCSA-N 2 2 237.347 1.465 10 0 BDAELP CCn1cc[nH+]c1N[C@@H](C)C[NH+]1CCOCC1 ZINC000050614219 172227708 /nfs/dbraw/zinc/22/77/08/172227708.db2.gz CJMZCPYSSOKOCW-NSHDSACASA-N 2 2 238.335 1.036 10 0 BDAELP C[N@@H+]1CCCC[C@@H]1CNc1ccc(N)[nH+]c1 ZINC000044563546 173005292 /nfs/dbraw/zinc/00/52/92/173005292.db2.gz YFEGZLGCPLKVQY-LLVKDONJSA-N 2 2 220.320 1.560 10 0 BDAELP C[N@H+]1CCCC[C@@H]1CNc1ccc(N)[nH+]c1 ZINC000044563546 173005294 /nfs/dbraw/zinc/00/52/94/173005294.db2.gz YFEGZLGCPLKVQY-LLVKDONJSA-N 2 2 220.320 1.560 10 0 BDAELP C[N@@H+]1CC[C@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000037655413 173146568 /nfs/dbraw/zinc/14/65/68/173146568.db2.gz ZTWBDINGNYCJAN-GFCCVEGCSA-N 2 2 244.342 1.376 10 0 BDAELP C[N@H+]1CC[C@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000037655413 173146570 /nfs/dbraw/zinc/14/65/70/173146570.db2.gz ZTWBDINGNYCJAN-GFCCVEGCSA-N 2 2 244.342 1.376 10 0 BDAELP C[NH+](C)c1ccc(N[C@H]2CC[N@H+](C)C2)cc1 ZINC000061984993 173154084 /nfs/dbraw/zinc/15/40/84/173154084.db2.gz QMHYHAQMNWMDRC-LBPRGKRZSA-N 2 2 219.332 1.869 10 0 BDAELP C[NH+](C)c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC000061984993 173154085 /nfs/dbraw/zinc/15/40/85/173154085.db2.gz QMHYHAQMNWMDRC-LBPRGKRZSA-N 2 2 219.332 1.869 10 0 BDAELP C[NH2+]C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000049328863 173367674 /nfs/dbraw/zinc/36/76/74/173367674.db2.gz QTMQGLHERVDOEL-ZDUSSCGKSA-N 3 2 236.363 1.205 10 0 BDAELP C[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000052419055 173376077 /nfs/dbraw/zinc/37/60/77/173376077.db2.gz GMGAUUKKGRUTJF-NSHDSACASA-N 2 2 204.317 1.653 10 0 BDAELP C[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000052419055 173376078 /nfs/dbraw/zinc/37/60/78/173376078.db2.gz GMGAUUKKGRUTJF-NSHDSACASA-N 2 2 204.317 1.653 10 0 BDAELP C[NH2+]C[C@H]1CCCN1Cc1cn2ccccc2[nH+]1 ZINC000042390294 173380820 /nfs/dbraw/zinc/38/08/20/173380820.db2.gz HZVVCVGPDSFNFD-CYBMUJFWSA-N 2 2 244.342 1.518 10 0 BDAELP C[NH2+]C[C@H]1C[N@H+](CCc2cccs2)CCO1 ZINC000071550247 173382789 /nfs/dbraw/zinc/38/27/89/173382789.db2.gz BMFWCHNBUYEHLE-NSHDSACASA-N 2 2 240.372 1.211 10 0 BDAELP C[NH2+]C[C@H]1C[N@@H+](CCc2cccs2)CCO1 ZINC000071550247 173382790 /nfs/dbraw/zinc/38/27/90/173382790.db2.gz BMFWCHNBUYEHLE-NSHDSACASA-N 2 2 240.372 1.211 10 0 BDAELP C[NH2+]Cc1cc(C[N@@H+]2CCOC[C@H]2C)oc1C ZINC000052475802 173387628 /nfs/dbraw/zinc/38/76/28/173387628.db2.gz FGCZMKXHDKOTKK-SNVBAGLBSA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1cc(C[N@H+]2CCOC[C@H]2C)oc1C ZINC000052475802 173387629 /nfs/dbraw/zinc/38/76/29/173387629.db2.gz FGCZMKXHDKOTKK-SNVBAGLBSA-N 2 2 238.331 1.528 10 0 BDAELP C[NH2+]Cc1nc(-n2cc[nH+]c2)ccc1Cl ZINC000051489924 173394328 /nfs/dbraw/zinc/39/43/28/173394328.db2.gz CHXILZLKSHKOKL-UHFFFAOYSA-N 2 2 222.679 1.640 10 0 BDAELP COC1CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000335596453 174018566 /nfs/dbraw/zinc/01/85/66/174018566.db2.gz AVRLNCFIJQBGNQ-XNWIYYODSA-N 2 2 221.304 1.034 10 0 BDAELP COC1CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000335596453 174018569 /nfs/dbraw/zinc/01/85/69/174018569.db2.gz AVRLNCFIJQBGNQ-XNWIYYODSA-N 2 2 221.304 1.034 10 0 BDAELP COCCC[N@H+](C)[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000062029363 174220176 /nfs/dbraw/zinc/22/01/76/174220176.db2.gz ZAMMLKNKEKZJGM-WCQYABFASA-N 2 2 237.347 1.438 10 0 BDAELP COCCC[N@@H+](C)[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000062029363 174220178 /nfs/dbraw/zinc/22/01/78/174220178.db2.gz ZAMMLKNKEKZJGM-WCQYABFASA-N 2 2 237.347 1.438 10 0 BDAELP COCCC[N@H+](CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042425408 174223609 /nfs/dbraw/zinc/22/36/09/174223609.db2.gz XLGIKNTZSWTQKB-ZDUSSCGKSA-N 2 2 244.379 1.113 10 0 BDAELP COCCC[N@@H+](CCOC)C[C@@H]1CCCC[NH2+]1 ZINC000042425408 174223610 /nfs/dbraw/zinc/22/36/10/174223610.db2.gz XLGIKNTZSWTQKB-ZDUSSCGKSA-N 2 2 244.379 1.113 10 0 BDAELP COCC[N@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042909049 174282415 /nfs/dbraw/zinc/28/24/15/174282415.db2.gz XKPMODRQQCTNOT-TZMCWYRMSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000042909049 174282417 /nfs/dbraw/zinc/28/24/17/174282417.db2.gz XKPMODRQQCTNOT-TZMCWYRMSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966994 174283100 /nfs/dbraw/zinc/28/31/00/174283100.db2.gz GSCQXZZOGRFDJA-TZMCWYRMSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042966994 174283101 /nfs/dbraw/zinc/28/31/01/174283101.db2.gz GSCQXZZOGRFDJA-TZMCWYRMSA-N 2 2 236.359 1.962 10 0 BDAELP COCC[N@H+](C[C@@H]1CCCC[NH2+]1)[C@H](C)COC ZINC000042610851 174297195 /nfs/dbraw/zinc/29/71/95/174297195.db2.gz PNIJBHBDNLGDQD-OLZOCXBDSA-N 2 2 244.379 1.112 10 0 BDAELP COCC[N@@H+](C[C@@H]1CCCC[NH2+]1)[C@H](C)COC ZINC000042610851 174297197 /nfs/dbraw/zinc/29/71/97/174297197.db2.gz PNIJBHBDNLGDQD-OLZOCXBDSA-N 2 2 244.379 1.112 10 0 BDAELP COCC[N@H+](C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518135 174297511 /nfs/dbraw/zinc/29/75/11/174297511.db2.gz XOTHLDJZGOXCLX-CQSZACIVSA-N 2 2 234.343 1.797 10 0 BDAELP COCC[N@@H+](C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000042518135 174297513 /nfs/dbraw/zinc/29/75/13/174297513.db2.gz XOTHLDJZGOXCLX-CQSZACIVSA-N 2 2 234.343 1.797 10 0 BDAELP COc1ccc(CC[N@H+](C)CC[NH3+])cc1F ZINC000077340137 175089765 /nfs/dbraw/zinc/08/97/65/175089765.db2.gz SEAZWSSDHHGRHF-UHFFFAOYSA-N 2 2 226.295 1.267 10 0 BDAELP COc1ccc(CC[N@@H+](C)CC[NH3+])cc1F ZINC000077340137 175089766 /nfs/dbraw/zinc/08/97/66/175089766.db2.gz SEAZWSSDHHGRHF-UHFFFAOYSA-N 2 2 226.295 1.267 10 0 BDAELP COc1ccc(OC)c(C[C@H](C[NH3+])[NH+](C)C)c1 ZINC000041280506 175166269 /nfs/dbraw/zinc/16/62/69/175166269.db2.gz QSIUVUUKTDZPDG-LLVKDONJSA-N 2 2 238.331 1.135 10 0 BDAELP COc1ccc([C@H]([NH3+])C[NH3+])cc1OC(F)F ZINC000035677047 175191723 /nfs/dbraw/zinc/19/17/23/175191723.db2.gz RSWKNDUBTXWMDG-SSDOTTSWSA-N 2 2 232.230 1.255 10 0 BDAELP C[C@@H]([NH3+])[C@H](c1ccccc1F)n1cc[nH+]c1 ZINC000043046103 175813758 /nfs/dbraw/zinc/81/37/58/175813758.db2.gz QVKUNSPSFRCSIT-BXKDBHETSA-N 2 2 219.263 1.959 10 0 BDAELP C[C@@H]1C[N@@H+](C2(C[NH3+])CCSCC2)[C@H](C)CO1 ZINC000042335056 176280767 /nfs/dbraw/zinc/28/07/67/176280767.db2.gz CLJIHOLECLOZOH-GHMZBOCLSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1C[N@H+](C2(C[NH3+])CCSCC2)[C@H](C)CO1 ZINC000042335056 176280769 /nfs/dbraw/zinc/28/07/69/176280769.db2.gz CLJIHOLECLOZOH-GHMZBOCLSA-N 2 2 244.404 1.320 10 0 BDAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000125384256 176282325 /nfs/dbraw/zinc/28/23/25/176282325.db2.gz QWDXHNGZDJWCBY-WFFHOREQSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C ZINC000125384256 176282326 /nfs/dbraw/zinc/28/23/26/176282326.db2.gz QWDXHNGZDJWCBY-WFFHOREQSA-N 2 2 224.348 1.236 10 0 BDAELP C[C@@H]1COC[C@@H](C)[NH+]1CCC[NH+]1CCCCC1 ZINC000125254619 176345761 /nfs/dbraw/zinc/34/57/61/176345761.db2.gz QZIRUEVQAUUNTG-ZIAGYGMSSA-N 2 2 240.391 1.972 10 0 BDAELP C[C@H]1CCCC[N@@H+]1CCC[NH+]1CC[C@H](C[NH3+])C1 ZINC000034651137 177075989 /nfs/dbraw/zinc/07/59/89/177075989.db2.gz MPYGIXBIYDOPJC-UONOGXRCSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@H]1CCCC[N@H+]1CCC[NH+]1CC[C@H](C[NH3+])C1 ZINC000034651137 177075991 /nfs/dbraw/zinc/07/59/91/177075991.db2.gz MPYGIXBIYDOPJC-UONOGXRCSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@H]1CCCC[NH+]1CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000034651137 177075992 /nfs/dbraw/zinc/07/59/92/177075992.db2.gz MPYGIXBIYDOPJC-UONOGXRCSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@H]1CCCC[NH+]1CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000034651137 177075994 /nfs/dbraw/zinc/07/59/94/177075994.db2.gz MPYGIXBIYDOPJC-UONOGXRCSA-N 3 2 239.407 1.532 10 0 BDAELP C[C@H]1C[NH+](CC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000020071888 177245272 /nfs/dbraw/zinc/24/52/72/177245272.db2.gz IIKXYVKYFVHGNA-RYUDHWBXSA-N 2 2 226.364 1.757 10 0 BDAELP C[C@H]1C[N@@H+]([C@@H](C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664374 177273872 /nfs/dbraw/zinc/27/38/72/177273872.db2.gz VXMHWHSBFAQJCS-ONGXEEELSA-N 2 2 212.337 1.223 10 0 BDAELP C[C@H]1C[N@H+]([C@@H](C[NH3+])C2CC2)CC(C)(C)O1 ZINC000045664374 177273874 /nfs/dbraw/zinc/27/38/74/177273874.db2.gz VXMHWHSBFAQJCS-ONGXEEELSA-N 2 2 212.337 1.223 10 0 BDAELP C[C@H]1CN(c2cc[nH+]c(C[NH3+])c2)CCCO1 ZINC000061912755 177277603 /nfs/dbraw/zinc/27/76/03/177277603.db2.gz DNYQCSFNVVAUHS-JTQLQIEISA-N 2 2 221.304 1.156 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH]c[nH+]1 ZINC000245766241 177280986 /nfs/dbraw/zinc/28/09/86/177280986.db2.gz QWCLIKYQQOGTGU-JQWIXIFHSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH]c[nH+]1 ZINC000245766241 177280987 /nfs/dbraw/zinc/28/09/87/177280987.db2.gz QWCLIKYQQOGTGU-JQWIXIFHSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c[nH]1 ZINC000245766241 177280988 /nfs/dbraw/zinc/28/09/88/177280988.db2.gz QWCLIKYQQOGTGU-JQWIXIFHSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c[nH]1 ZINC000245766241 177280989 /nfs/dbraw/zinc/28/09/89/177280989.db2.gz QWCLIKYQQOGTGU-JQWIXIFHSA-N 2 2 220.320 1.078 10 0 BDAELP C[C@H](Cn1cc[nH+]c1)NC1=[NH+]C[C@H](C)S1 ZINC000049236446 177281799 /nfs/dbraw/zinc/28/17/99/177281799.db2.gz JQODPKWKLICTJF-BDAKNGLRSA-N 2 2 224.333 1.353 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125251723 177298585 /nfs/dbraw/zinc/29/85/85/177298585.db2.gz HNZMBZMJZLAVPZ-XQQFMLRXSA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@H](C)[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125251723 177298586 /nfs/dbraw/zinc/29/85/86/177298586.db2.gz HNZMBZMJZLAVPZ-XQQFMLRXSA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@H](C)[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125251723 177298588 /nfs/dbraw/zinc/29/85/88/177298588.db2.gz HNZMBZMJZLAVPZ-XQQFMLRXSA-N 2 2 226.364 1.580 10 0 BDAELP C[C@@H]1COC[C@H](C)[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000125251723 177298590 /nfs/dbraw/zinc/29/85/90/177298590.db2.gz HNZMBZMJZLAVPZ-XQQFMLRXSA-N 2 2 226.364 1.580 10 0 BDAELP C[C@H]1C[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336768638 177386397 /nfs/dbraw/zinc/38/63/97/177386397.db2.gz UTUXAJCUFSQCQE-WCBMZHEXSA-N 2 2 225.361 1.703 10 0 BDAELP Cc1cc(CO)cc(N2CCn3cc[nH+]c3C2)[nH+]1 ZINC000228449421 487650046 /nfs/dbraw/zinc/65/00/46/487650046.db2.gz CCUIKCWKFCGSGI-UHFFFAOYSA-N 2 2 244.298 1.099 10 0 BDAELP Cc1cc(CO)cc(N2CC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000228449507 487650269 /nfs/dbraw/zinc/65/02/69/487650269.db2.gz SVYLKAFYJFLCKA-GFCCVEGCSA-N 2 2 235.331 1.023 10 0 BDAELP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCOC1 ZINC000111319920 487773187 /nfs/dbraw/zinc/77/31/87/487773187.db2.gz OOCFORYOATYXKD-UONOGXRCSA-N 2 2 242.407 1.979 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000121603956 324018345 /nfs/dbraw/zinc/01/83/45/324018345.db2.gz OQGDWLYINSQFEX-SRRSOLGSSA-N 2 2 224.348 1.379 10 0 BDAELP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000121603956 324018348 /nfs/dbraw/zinc/01/83/48/324018348.db2.gz OQGDWLYINSQFEX-SRRSOLGSSA-N 2 2 224.348 1.379 10 0 BDAELP COc1ccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)[nH+]c1 ZINC000234976163 487898635 /nfs/dbraw/zinc/89/86/35/487898635.db2.gz GQLMFIPLTBERCC-QWRGUYRKSA-N 2 2 235.331 1.890 10 0 BDAELP COC1(C[N@@H+]2CC[C@H]2C[NH3+])CCCCC1 ZINC000757143704 582523985 /nfs/dbraw/zinc/52/39/85/582523985.db2.gz HMXQPKOHSJUPNM-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP COC1(C[N@H+]2CC[C@H]2C[NH3+])CCCCC1 ZINC000757143704 582523988 /nfs/dbraw/zinc/52/39/88/582523988.db2.gz HMXQPKOHSJUPNM-NSHDSACASA-N 2 2 212.337 1.369 10 0 BDAELP CC(C)(CC(F)F)C[N@@H+]1CC[C@H]1C[NH3+] ZINC000757148429 582533254 /nfs/dbraw/zinc/53/32/54/582533254.db2.gz SUZYDUZIARNEFA-QMMMGPOBSA-N 2 2 206.280 1.701 10 0 BDAELP CC(C)(CC(F)F)C[N@H+]1CC[C@H]1C[NH3+] ZINC000757148429 582533256 /nfs/dbraw/zinc/53/32/56/582533256.db2.gz SUZYDUZIARNEFA-QMMMGPOBSA-N 2 2 206.280 1.701 10 0 BDAELP CC(C)[C@H](C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000019271355 534991640 /nfs/dbraw/zinc/99/16/40/534991640.db2.gz PHCGPGKKHWUOBG-HNNXBMFYSA-N 2 2 247.386 1.792 10 0 BDAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000087479300 535582192 /nfs/dbraw/zinc/58/21/92/535582192.db2.gz HPQQGLOZXNUSJJ-STQMWFEESA-N 2 2 228.380 1.731 10 0 BDAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000087479300 535582194 /nfs/dbraw/zinc/58/21/94/535582194.db2.gz HPQQGLOZXNUSJJ-STQMWFEESA-N 2 2 228.380 1.731 10 0 BDAELP CC[C@@](C)(C[NH3+])[NH+]1CCN(c2ccccn2)CC1 ZINC000019424053 535978535 /nfs/dbraw/zinc/97/85/35/535978535.db2.gz OTAPAWWSPXVAOY-AWEZNQCLSA-N 2 2 248.374 1.331 10 0 BDAELP CC(C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129366 582503808 /nfs/dbraw/zinc/50/38/08/582503808.db2.gz LGGHZIRGYBLZHZ-ZDUSSCGKSA-N 2 2 208.349 1.955 10 0 BDAELP CC(C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757129366 582503810 /nfs/dbraw/zinc/50/38/10/582503810.db2.gz LGGHZIRGYBLZHZ-ZDUSSCGKSA-N 2 2 208.349 1.955 10 0 BDAELP COC[C@@H](C)[N@@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757133838 582510460 /nfs/dbraw/zinc/51/04/60/582510460.db2.gz VDOZXUMQBILGKM-OCCSQVGLSA-N 2 2 238.375 1.582 10 0 BDAELP COC[C@@H](C)[N@H+]1CCC[C@@]12C[NH+]1CCC2CC1 ZINC000757133838 582510461 /nfs/dbraw/zinc/51/04/61/582510461.db2.gz VDOZXUMQBILGKM-OCCSQVGLSA-N 2 2 238.375 1.582 10 0 BDAELP [NH3+]C[C@@H]1CCNc2[nH+]c3ccccc3n21 ZINC000236228555 582642133 /nfs/dbraw/zinc/64/21/33/582642133.db2.gz YTPFGCOCLQMHQZ-QMMMGPOBSA-N 2 2 202.261 1.352 10 0 BDAELP [NH3+][C@H](CO)Cc1cn(C2CCCCC2)c[nH+]1 ZINC000757185253 586434054 /nfs/dbraw/zinc/43/40/54/586434054.db2.gz BYKYYRKTDCSNOU-JTQLQIEISA-N 2 2 223.320 1.250 10 0 BDAELP CC(=O)c1ccc([C@H]2CC[C@@H]([NH3+])C[NH2+]2)cc1 ZINC000757215034 586440299 /nfs/dbraw/zinc/44/02/99/586440299.db2.gz MGLLWJBADLJQJV-CHWSQXEVSA-N 2 2 218.300 1.641 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+]CC[C@H](C)[C@H]1[NH3+] ZINC000757230018 586442664 /nfs/dbraw/zinc/44/26/64/586442664.db2.gz FTXMMFJZSSNLLZ-BIMULSAOSA-N 2 2 219.332 1.575 10 0 BDAELP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000309918900 632679832 /nfs/dbraw/zinc/67/98/32/632679832.db2.gz QWKZUGXYGBNCKJ-SFXRXQKFSA-N 2 2 232.318 1.960 10 0 BDAELP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000309918900 632679836 /nfs/dbraw/zinc/67/98/36/632679836.db2.gz QWKZUGXYGBNCKJ-SFXRXQKFSA-N 2 2 232.318 1.960 10 0 BDAELP COc1ccc[nH+]c1NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000227647182 640842788 /nfs/dbraw/zinc/84/27/88/640842788.db2.gz UMIUHIXPOGVLMI-ZJUUUORDSA-N 2 2 221.304 1.630 10 0 BDAELP C[N@H+](C[C@@H]1CC[NH+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000071190951 643105420 /nfs/dbraw/zinc/10/54/20/643105420.db2.gz ZKNMXJOIOLOPBS-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP C[N@@H+](C[C@@H]1CC[NH+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000071190951 643105425 /nfs/dbraw/zinc/10/54/25/643105425.db2.gz ZKNMXJOIOLOPBS-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@@H]1CC[N@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000071190951 643105428 /nfs/dbraw/zinc/10/54/28/643105428.db2.gz ZKNMXJOIOLOPBS-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP C[NH+](C[C@@H]1CC[N@@H+](C)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000071190951 643105430 /nfs/dbraw/zinc/10/54/30/643105430.db2.gz ZKNMXJOIOLOPBS-ZIAGYGMSSA-N 3 2 239.407 1.260 10 0 BDAELP [NH3+]C[C@@H]1CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000757149113 643333945 /nfs/dbraw/zinc/33/39/45/643333945.db2.gz XKFTXZGWUPZNFT-ZJUUUORDSA-N 2 2 218.291 1.845 10 0 BDAELP [NH3+]C[C@@H]1CC[N@H+]1C[C@@H]1CCCC(F)(F)C1 ZINC000757149113 643333949 /nfs/dbraw/zinc/33/39/49/643333949.db2.gz XKFTXZGWUPZNFT-ZJUUUORDSA-N 2 2 218.291 1.845 10 0 BDAELP Cc1ccc(N)cc1[C@@H]1[NH2+]CCC[C@H]1[NH3+] ZINC000757236343 643373994 /nfs/dbraw/zinc/37/39/94/643373994.db2.gz OJEFIUCNHDUTLE-NEPJUHHUSA-N 2 2 205.305 1.329 10 0 BDAELP CC(C)(C)CC[N@@H+]1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378723445 712358020 /nfs/dbraw/zinc/35/80/20/712358020.db2.gz HLMKENBKIZEBSW-UWVGGRQHSA-N 2 2 202.317 1.794 10 0 BDAELP CC(C)(C)CC[N@H+]1C[C@@H](F)C[C@H]1C[NH3+] ZINC000378723445 712358022 /nfs/dbraw/zinc/35/80/22/712358022.db2.gz HLMKENBKIZEBSW-UWVGGRQHSA-N 2 2 202.317 1.794 10 0 BDAELP CC(C)c1cnc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000700758736 712004148 /nfs/dbraw/zinc/00/41/48/712004148.db2.gz CCEZRRRXRNWTOF-SDDRHHMPSA-N 2 2 249.358 1.967 10 0 BDAELP CC(C)c1cnc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000700758736 712004150 /nfs/dbraw/zinc/00/41/50/712004150.db2.gz CCEZRRRXRNWTOF-SDDRHHMPSA-N 2 2 249.358 1.967 10 0 BDAELP C[C@@H]1C[N@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000708341352 712188977 /nfs/dbraw/zinc/18/89/77/712188977.db2.gz RWNABHMWWQEAOI-MXWKQRLJSA-N 2 2 212.337 1.081 10 0 BDAELP C[C@@H]1C[N@@H+](C[C@H]2CC(C)(C)CO2)C[C@@H]1[NH3+] ZINC000708341352 712188978 /nfs/dbraw/zinc/18/89/78/712188978.db2.gz RWNABHMWWQEAOI-MXWKQRLJSA-N 2 2 212.337 1.081 10 0 BDAELP CCC1([NH3+])CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000714756671 712498023 /nfs/dbraw/zinc/49/80/23/712498023.db2.gz DVCYOSANCCTZEM-NSHDSACASA-N 2 2 234.347 1.741 10 0 BDAELP