smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@H](N)C12CCC(C(C)(C)C)CC2 ZINC000685953123 538897265 /nfs/dbraw/zinc/89/72/65/538897265.db2.gz GFWBJPCIVZVTBS-MBHSVXNSSA-N 1 3 224.392 2.624 10 0 BFAEHO C[N@H+]1CC[C@@H](N)C12CCC(C(C)(C)C)CC2 ZINC000685953123 538897267 /nfs/dbraw/zinc/89/72/67/538897267.db2.gz GFWBJPCIVZVTBS-MBHSVXNSSA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCC[C@H]1N)c1cccs1 ZINC000248024759 345015356 /nfs/dbraw/zinc/01/53/56/345015356.db2.gz KYTWHDVLBNFCRS-AXFHLTTASA-N 1 3 224.373 2.669 10 0 BFAEHO C[C@@H]1CN(Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000634999021 345199185 /nfs/dbraw/zinc/19/91/85/345199185.db2.gz OXEMMGOJBZQOGZ-WBMJQRKESA-N 1 3 244.382 2.591 10 0 BFAEHO CCN(CC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000137502869 345642488 /nfs/dbraw/zinc/64/24/88/345642488.db2.gz CCBRQAPNJYDIQY-OAHLLOKOSA-N 1 3 232.371 2.636 10 0 BFAEHO Cc1cccc([C@H]([C@H](C)[NH3+])N2CC[C@H](C)C2)c1 ZINC000042966810 179203782 /nfs/dbraw/zinc/20/37/82/179203782.db2.gz ZDNUGBYZIWRPSM-YDHLFZDLSA-N 1 3 232.371 2.725 10 0 BFAEHO Cc1ccccc1CN1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049666763 179275871 /nfs/dbraw/zinc/27/58/71/179275871.db2.gz OZFIJOXGQMYZEN-ZIAGYGMSSA-N 1 3 246.398 2.672 10 0 BFAEHO Cc1ccccc1[C@H](C)N1CCC[NH2+]C[C@H](C)C1 ZINC000049667719 179334768 /nfs/dbraw/zinc/33/47/68/179334768.db2.gz QHXCTDGYGCHMKU-ZFWWWQNUSA-N 1 3 246.398 2.987 10 0 BFAEHO Cc1ccccc1[C@H](C)[N@@H+]1CCCNC[C@H](C)C1 ZINC000049667719 179334769 /nfs/dbraw/zinc/33/47/69/179334769.db2.gz QHXCTDGYGCHMKU-ZFWWWQNUSA-N 1 3 246.398 2.987 10 0 BFAEHO Cc1ccccc1[C@H](C)[N@H+]1CCCNC[C@H](C)C1 ZINC000049667719 179334771 /nfs/dbraw/zinc/33/47/71/179334771.db2.gz QHXCTDGYGCHMKU-ZFWWWQNUSA-N 1 3 246.398 2.987 10 0 BFAEHO CCCC1CC[NH+]([C@H]2CCC[C@@H]2CN)CC1 ZINC000050893150 168607430 /nfs/dbraw/zinc/60/74/30/168607430.db2.gz RGWFKRFRXBZOLG-KGLIPLIRSA-N 1 3 224.392 2.626 10 0 BFAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000163037815 350496293 /nfs/dbraw/zinc/49/62/93/350496293.db2.gz SPQGVUIXAAMLHJ-ZIAGYGMSSA-N 1 3 248.370 2.901 10 0 BFAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000163037815 350496295 /nfs/dbraw/zinc/49/62/95/350496295.db2.gz SPQGVUIXAAMLHJ-ZIAGYGMSSA-N 1 3 248.370 2.901 10 0 BFAEHO CCC(F)(F)C(C)(C)CN[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000629531192 538107745 /nfs/dbraw/zinc/10/77/45/538107745.db2.gz CZJXSXUAHDILBA-QWRGUYRKSA-N 1 3 248.361 2.646 10 0 BFAEHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000583078290 357473689 /nfs/dbraw/zinc/47/36/89/357473689.db2.gz KGAMYDHMBPKMIY-YJNKXOJESA-N 1 3 238.419 2.933 10 0 BFAEHO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000168764959 134247557 /nfs/dbraw/zinc/24/75/57/134247557.db2.gz ADSZFYIKBJKCOW-RWMBFGLXSA-N 1 3 212.381 2.543 10 0 BFAEHO CC[C@@H]1CC[C@H](CCN2CCCC2)[N@H+](C)C1 ZINC000584652212 358307030 /nfs/dbraw/zinc/30/70/30/358307030.db2.gz QQUFBQNUZZCFGO-ZIAGYGMSSA-N 1 3 224.392 2.593 10 0 BFAEHO CC[C@@H]1CC[C@H](CCN2CCCC2)[N@@H+](C)C1 ZINC000584652212 358307033 /nfs/dbraw/zinc/30/70/33/358307033.db2.gz QQUFBQNUZZCFGO-ZIAGYGMSSA-N 1 3 224.392 2.593 10 0 BFAEHO CC[C@@H]1CC[C@H](CC[NH+]2CCCC2)N(C)C1 ZINC000584652212 358307034 /nfs/dbraw/zinc/30/70/34/358307034.db2.gz QQUFBQNUZZCFGO-ZIAGYGMSSA-N 1 3 224.392 2.593 10 0 BFAEHO C[C@H](C[C@H](C)[NH3+])Nc1ccnc2ccccc21 ZINC000228269962 358372073 /nfs/dbraw/zinc/37/20/73/358372073.db2.gz BMMKQPXRYQZOPO-WDEREUQCSA-N 1 3 229.327 2.773 10 0 BFAEHO CCN1CC[C@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576337 360027933 /nfs/dbraw/zinc/02/79/33/360027933.db2.gz FMVHKTRNCZBSAQ-YMAMQOFZSA-N 1 3 238.419 2.744 10 0 BFAEHO CC1CCC(CN[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004117 364692224 /nfs/dbraw/zinc/69/22/24/364692224.db2.gz VVRROPOTMAPNCY-YIOUJQMASA-N 1 3 224.392 2.543 10 0 BFAEHO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CCCC1 ZINC000574069925 364981425 /nfs/dbraw/zinc/98/14/25/364981425.db2.gz DDLDDJNPZZIDDJ-DYEKYZERSA-N 1 3 224.392 2.543 10 0 BFAEHO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CN(C)C ZINC000381327974 367380738 /nfs/dbraw/zinc/38/07/38/367380738.db2.gz RTJRINPTXLRMLF-MJBXVCDLSA-N 1 3 226.408 2.743 10 0 BFAEHO CC1([NH+]2CCC(N)CC2)CCCCCCC1 ZINC000059095935 368333870 /nfs/dbraw/zinc/33/38/70/368333870.db2.gz KXCMXFXMPKJLQV-UHFFFAOYSA-N 1 3 224.392 2.913 10 0 BFAEHO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1N ZINC000101417741 368383674 /nfs/dbraw/zinc/38/36/74/368383674.db2.gz VLNSZQNRDVTFLY-OSFYFWSMSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1N ZINC000101417741 368383683 /nfs/dbraw/zinc/38/36/83/368383683.db2.gz VLNSZQNRDVTFLY-OSFYFWSMSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1CN ZINC000631837197 369090462 /nfs/dbraw/zinc/09/04/62/369090462.db2.gz OMWZVWARNDIPFI-DOMZBBRYSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1CN ZINC000631837197 369090465 /nfs/dbraw/zinc/09/04/65/369090465.db2.gz OMWZVWARNDIPFI-DOMZBBRYSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@@H]1CN(Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000631837197 369090469 /nfs/dbraw/zinc/09/04/69/369090469.db2.gz OMWZVWARNDIPFI-DOMZBBRYSA-N 1 3 244.382 2.591 10 0 BFAEHO CC(C)[C@H](C)[N@H+](CCCN)Cc1ccccc1 ZINC000230004295 371632410 /nfs/dbraw/zinc/63/24/10/371632410.db2.gz NROWYBPWIHSGFJ-AWEZNQCLSA-N 1 3 234.387 2.882 10 0 BFAEHO CC(C)[C@H](C)[N@@H+](CCCN)Cc1ccccc1 ZINC000230004295 371632417 /nfs/dbraw/zinc/63/24/17/371632417.db2.gz NROWYBPWIHSGFJ-AWEZNQCLSA-N 1 3 234.387 2.882 10 0 BFAEHO CC(C)[C@H](C)N(CCC[NH3+])Cc1ccccc1 ZINC000230004295 371632423 /nfs/dbraw/zinc/63/24/23/371632423.db2.gz NROWYBPWIHSGFJ-AWEZNQCLSA-N 1 3 234.387 2.882 10 0 BFAEHO CCCN(CCC[NH3+])Cc1cc(C)cc(C)c1 ZINC000038076703 169156386 /nfs/dbraw/zinc/15/63/86/169156386.db2.gz ANKFJPLKEGAYRH-UHFFFAOYSA-N 1 3 234.387 2.864 10 0 BFAEHO c1cc(CNC2CC2)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543800 183349183 /nfs/dbraw/zinc/34/91/83/183349183.db2.gz LJJRPDOSYRYEJJ-SMDDNHRTSA-N 1 3 246.354 2.516 10 0 BFAEHO c1cc(CNC2CC2)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)o1 ZINC000052543800 183349185 /nfs/dbraw/zinc/34/91/85/183349185.db2.gz LJJRPDOSYRYEJJ-SMDDNHRTSA-N 1 3 246.354 2.516 10 0 BFAEHO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(C)(C)C ZINC000054627060 169256027 /nfs/dbraw/zinc/25/60/27/169256027.db2.gz YHVUVYBEVLECFV-YHWZYXNKSA-N 1 3 224.392 2.780 10 0 BFAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)C ZINC000054627060 169256028 /nfs/dbraw/zinc/25/60/28/169256028.db2.gz YHVUVYBEVLECFV-YHWZYXNKSA-N 1 3 224.392 2.780 10 0 BFAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)C ZINC000054627060 169256031 /nfs/dbraw/zinc/25/60/31/169256031.db2.gz YHVUVYBEVLECFV-YHWZYXNKSA-N 1 3 224.392 2.780 10 0 BFAEHO c1ccc(CN2CCC[C@@H]2C[C@@H]2CCC[NH2+]2)cc1 ZINC000096895234 183398564 /nfs/dbraw/zinc/39/85/64/183398564.db2.gz NDIHTTASYQLTEA-JKSUJKDBSA-N 1 3 244.382 2.793 10 0 BFAEHO CCC[C@@H](C)C[C@@H](CN)[C@@H]1CCCC[NH2+]1 ZINC000068591082 169361738 /nfs/dbraw/zinc/36/17/38/169361738.db2.gz PLFOILFTHVSCAK-AGIUHOORSA-N 1 3 212.381 2.530 10 0 BFAEHO C[C@H](C[C@H](CN)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591129 384001919 /nfs/dbraw/zinc/00/19/19/384001919.db2.gz XPOCUETWGWPYKX-BMFZPTHFSA-N 1 3 246.398 2.897 10 0 BFAEHO Cc1csc(CN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000518513971 383972545 /nfs/dbraw/zinc/97/25/45/383972545.db2.gz AENGBGBWDVJCTL-NWDGAFQWSA-N 1 3 238.400 2.534 10 0 BFAEHO C[C@@H]1C[C@H]([NH3+])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000068592739 384001611 /nfs/dbraw/zinc/00/16/11/384001611.db2.gz ZJJABKUGECYXQM-CXTNEJHOSA-N 1 3 232.371 2.633 10 0 BFAEHO CC(C)(CC[NH3+])NCc1ccc(Cl)cc1 ZINC000258691744 384931631 /nfs/dbraw/zinc/93/16/31/384931631.db2.gz BOLYGRNLOONSSV-UHFFFAOYSA-N 1 3 226.751 2.557 10 0 BFAEHO NC[C@@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625254 385175373 /nfs/dbraw/zinc/17/53/73/385175373.db2.gz AFHIMDPHXZNRAO-CVEARBPZSA-N 1 3 244.382 2.638 10 0 BFAEHO NC[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625254 385175377 /nfs/dbraw/zinc/17/53/77/385175377.db2.gz AFHIMDPHXZNRAO-CVEARBPZSA-N 1 3 244.382 2.638 10 0 BFAEHO FC1(F)CCC[C@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000335020871 385980152 /nfs/dbraw/zinc/98/01/52/385980152.db2.gz CIJFTFMJVUZWKA-NWDGAFQWSA-N 1 3 246.345 2.544 10 0 BFAEHO C[C@@H](CC1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414820623 386666936 /nfs/dbraw/zinc/66/69/36/386666936.db2.gz AMRQLVZOMBZQCG-YXQSOJMXSA-N 1 3 236.403 2.828 10 0 BFAEHO CC(C)CC1(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000391798270 386657486 /nfs/dbraw/zinc/65/74/86/386657486.db2.gz DZRIEGSKIRSQKZ-CYBMUJFWSA-N 1 3 224.392 2.544 10 0 BFAEHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)[C@@H]1C[C@H]1C ZINC000322211006 388032151 /nfs/dbraw/zinc/03/21/51/388032151.db2.gz UJTPFBMQFJGJJM-BARDWOONSA-N 1 3 238.419 2.741 10 0 BFAEHO C[C@H]([NH2+]CC(C)(C)C1CCC1)[C@H]1CCCNC1 ZINC000643492779 388091191 /nfs/dbraw/zinc/09/11/91/388091191.db2.gz CYKDVBXPNMBJSU-STQMWFEESA-N 1 3 238.419 2.790 10 0 BFAEHO Cc1cc(NC[C@@H](C)C[NH3+])c2ccccc2n1 ZINC000086634466 388105578 /nfs/dbraw/zinc/10/55/78/388105578.db2.gz SBPNSNKBBFWEAH-JTQLQIEISA-N 1 3 229.327 2.550 10 0 BFAEHO CCc1cc(N[C@@H]2CCCN(CC)C2)cc[nH+]1 ZINC000307774105 388425590 /nfs/dbraw/zinc/42/55/90/388425590.db2.gz RAPJGTIVTZGVAW-CQSZACIVSA-N 1 3 233.359 2.540 10 0 BFAEHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@@H]1CC1(C)C ZINC000397797545 388500415 /nfs/dbraw/zinc/50/04/15/388500415.db2.gz MAJNVRFHTABSIL-AVGNSLFASA-N 1 3 226.408 2.598 10 0 BFAEHO CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000530219909 388632050 /nfs/dbraw/zinc/63/20/50/388632050.db2.gz SAGVTNLUIJIKEX-NSHDSACASA-N 1 3 248.361 2.790 10 0 BFAEHO CCC(F)(F)C(C)(C)CN[C@H]1CCC[NH2+]CC1 ZINC000530219909 388632053 /nfs/dbraw/zinc/63/20/53/388632053.db2.gz SAGVTNLUIJIKEX-NSHDSACASA-N 1 3 248.361 2.790 10 0 BFAEHO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000168764778 134248031 /nfs/dbraw/zinc/24/80/31/134248031.db2.gz ADSZFYIKBJKCOW-YNEHKIRRSA-N 1 3 212.381 2.543 10 0 BFAEHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000251439864 135069767 /nfs/dbraw/zinc/06/97/67/135069767.db2.gz VDGSGEPMAXDCKA-IHRRRGAJSA-N 1 3 226.408 2.918 10 0 BFAEHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C)N)s1 ZINC000261566879 135208370 /nfs/dbraw/zinc/20/83/70/135208370.db2.gz DRKXFBJWCKEANS-KOLCDFICSA-N 1 3 224.373 2.541 10 0 BFAEHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](C)N)s1 ZINC000261566879 135208372 /nfs/dbraw/zinc/20/83/72/135208372.db2.gz DRKXFBJWCKEANS-KOLCDFICSA-N 1 3 224.373 2.541 10 0 BFAEHO C[C@H](C[N@@H+]1CC[C@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568837 135210276 /nfs/dbraw/zinc/21/02/76/135210276.db2.gz JMCRWYANAIOYDP-HIFRSBDPSA-N 1 3 246.398 2.849 10 0 BFAEHO C[C@H](C[N@H+]1CC[C@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568837 135210278 /nfs/dbraw/zinc/21/02/78/135210278.db2.gz JMCRWYANAIOYDP-HIFRSBDPSA-N 1 3 246.398 2.849 10 0 BFAEHO C[C@H](Cc1cccc(Cl)c1)N[C@H](C)[C@H](C)[NH3+] ZINC000261568746 135210410 /nfs/dbraw/zinc/21/04/10/135210410.db2.gz FVAJGIBVOIOGBB-OUAUKWLOSA-N 1 3 240.778 2.596 10 0 BFAEHO C[C@H](Cc1cccc(Cl)c1)N[C@@H](C)[C@H](C)[NH3+] ZINC000261568747 135210502 /nfs/dbraw/zinc/21/05/02/135210502.db2.gz FVAJGIBVOIOGBB-VWYCJHECSA-N 1 3 240.778 2.596 10 0 BFAEHO CC[C@H]1CC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000164423012 135252169 /nfs/dbraw/zinc/25/21/69/135252169.db2.gz RDDJMNYHPYIXGR-KBPBESRZSA-N 1 3 226.408 2.885 10 0 BFAEHO CC[C@@H]1CC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000164422899 135252175 /nfs/dbraw/zinc/25/21/75/135252175.db2.gz RDDJMNYHPYIXGR-KGLIPLIRSA-N 1 3 226.408 2.885 10 0 BFAEHO c1ccc2c(c1)cccc2CNC[C@H]1CC[NH2+]C1 ZINC000259014817 322880866 /nfs/dbraw/zinc/88/08/66/322880866.db2.gz YCQCKSBARUXKKQ-ZDUSSCGKSA-N 1 3 240.350 2.539 10 0 BFAEHO CC(C)[NH2+]C1CCN([C@H]2CC[C@@H](C)C2)CC1 ZINC000309718023 167094425 /nfs/dbraw/zinc/09/44/25/167094425.db2.gz ZOSOOVRICXWRLH-OCCSQVGLSA-N 1 3 224.392 2.637 10 0 BFAEHO C[C@@H]1CNC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000401884592 411168330 /nfs/dbraw/zinc/16/83/30/411168330.db2.gz SHCYALFQCHZXNI-DUVNUKRYSA-N 1 3 244.382 2.652 10 0 BFAEHO CC1([NH3+])C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000076677762 168054745 /nfs/dbraw/zinc/05/47/45/168054745.db2.gz VBIARUJUBIWNKJ-YIONKMFJSA-N 1 3 230.355 2.531 10 0 BFAEHO CC1CCC(C[N@H+]2[C@@H]3CC[C@H]2CC(N)C3)CC1 ZINC000063146969 168152885 /nfs/dbraw/zinc/15/28/85/168152885.db2.gz MSEZZIGIMGVYKT-NIRLBGDNSA-N 1 3 236.403 2.767 10 0 BFAEHO CC1CCC(C[N@@H+]2[C@@H]3CC[C@H]2CC(N)C3)CC1 ZINC000063146969 168152887 /nfs/dbraw/zinc/15/28/87/168152887.db2.gz MSEZZIGIMGVYKT-NIRLBGDNSA-N 1 3 236.403 2.767 10 0 BFAEHO CC[NH2+]CC[C@H](C)N1CCCc2ccccc2C1 ZINC000062945581 170117229 /nfs/dbraw/zinc/11/72/29/170117229.db2.gz VBKWZLWZNQCHIM-AWEZNQCLSA-N 1 3 246.398 2.823 10 0 BFAEHO CCNC[C@](C)(CC)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051207071 170123841 /nfs/dbraw/zinc/12/38/41/170123841.db2.gz FNEFGVNCAUYSTC-ZNMIVQPWSA-N 1 3 240.435 2.990 10 0 BFAEHO CCNC[C@](C)(CC)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000051207071 170123842 /nfs/dbraw/zinc/12/38/42/170123842.db2.gz FNEFGVNCAUYSTC-ZNMIVQPWSA-N 1 3 240.435 2.990 10 0 BFAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1CN1CCCC1 ZINC000053861129 170150987 /nfs/dbraw/zinc/15/09/87/170150987.db2.gz YHNSNKMJJBLACO-ZIAGYGMSSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[NH2+][C@@H]1CCN(CC2CCCC2)[C@H](C)C1 ZINC000049710696 170151663 /nfs/dbraw/zinc/15/16/63/170151663.db2.gz UAUVMZBHXCDWCA-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@@H]1CC[N@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710696 170151664 /nfs/dbraw/zinc/15/16/64/170151664.db2.gz UAUVMZBHXCDWCA-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC000049710696 170151665 /nfs/dbraw/zinc/15/16/65/170151665.db2.gz UAUVMZBHXCDWCA-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1CN(C)CC(C)C ZINC000053865785 170153731 /nfs/dbraw/zinc/15/37/31/170153731.db2.gz QZVNIKRUZZBBNN-RRFJBIMHSA-N 1 3 240.435 2.989 10 0 BFAEHO CC[NH2+][C@H]1CCCC[C@H]1CN1CCCCC1 ZINC000060743297 170165576 /nfs/dbraw/zinc/16/55/76/170165576.db2.gz ARWVMIXJKNEVSG-KBPBESRZSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[C@@H]1CC[N@@H+](C2CCCC2)CC[C@H](C)N1 ZINC000049664887 171009393 /nfs/dbraw/zinc/00/93/93/171009393.db2.gz YIXLHKBLEJBPKN-QWHCGFSZSA-N 1 3 224.392 2.782 10 0 BFAEHO CC[C@@H]1CC[N@H+](C2CCCC2)CC[C@H](C)N1 ZINC000049664887 171009397 /nfs/dbraw/zinc/00/93/97/171009397.db2.gz YIXLHKBLEJBPKN-QWHCGFSZSA-N 1 3 224.392 2.782 10 0 BFAEHO CC[C@@](C)(CN)C[N@@H+]1CCCc2ccccc2C1 ZINC000062945393 171166137 /nfs/dbraw/zinc/16/61/37/171166137.db2.gz CKQOKCXQLVWNQV-INIZCTEOSA-N 1 3 246.398 2.810 10 0 BFAEHO CC[C@@](C)(CN)C[N@H+]1CCCc2ccccc2C1 ZINC000062945393 171166139 /nfs/dbraw/zinc/16/61/39/171166139.db2.gz CKQOKCXQLVWNQV-INIZCTEOSA-N 1 3 246.398 2.810 10 0 BFAEHO CC[C@H](C)N(C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055022737 171310290 /nfs/dbraw/zinc/31/02/90/171310290.db2.gz NEQMEYUVOODION-AAEUAGOBSA-N 1 3 233.359 2.784 10 0 BFAEHO CN1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(F)cc1)C2 ZINC000020523909 173207442 /nfs/dbraw/zinc/20/74/42/173207442.db2.gz SPBSIYGGSWEJOW-GOOCMWNKSA-N 1 3 248.345 2.541 10 0 BFAEHO CNCC(C)(C)C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000051252325 173336279 /nfs/dbraw/zinc/33/62/79/173336279.db2.gz UTNYYDWOFDCUHR-CQSZACIVSA-N 1 3 238.419 2.887 10 0 BFAEHO CNCC(C)(C)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000051252325 173336280 /nfs/dbraw/zinc/33/62/80/173336280.db2.gz UTNYYDWOFDCUHR-CQSZACIVSA-N 1 3 238.419 2.887 10 0 BFAEHO C[NH2+]C[C@H]1CCN([C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000071142322 173381290 /nfs/dbraw/zinc/38/12/90/173381290.db2.gz VHGSTFZMNMBZHA-LSDHHAIUSA-N 1 3 246.398 2.906 10 0 BFAEHO C[C@@H]1CCC[N@H+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053861946 176099967 /nfs/dbraw/zinc/09/99/67/176099967.db2.gz JGQZZMHHCGQKGJ-RDBSUJKOSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053861946 176099969 /nfs/dbraw/zinc/09/99/69/176099969.db2.gz JGQZZMHHCGQKGJ-RDBSUJKOSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1CC[C@@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000042427272 176202131 /nfs/dbraw/zinc/20/21/31/176202131.db2.gz VGYIESKFFVSTQD-OCCSQVGLSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1CC[C@@H](CN)C[N@H+]1CC1CCCCC1 ZINC000042427272 176202132 /nfs/dbraw/zinc/20/21/32/176202132.db2.gz VGYIESKFFVSTQD-OCCSQVGLSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC000104366318 176228509 /nfs/dbraw/zinc/22/85/09/176228509.db2.gz ZOKVYBMKGARNSD-SNPRPXQTSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC000104366318 176228510 /nfs/dbraw/zinc/22/85/10/176228510.db2.gz ZOKVYBMKGARNSD-SNPRPXQTSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H](C[NH+]2CCCCCC2)C1 ZINC000053861971 176228875 /nfs/dbraw/zinc/22/88/75/176228875.db2.gz RHNUUHVJBZJUPA-RDBSUJKOSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@H](CCC[NH2+]C1CC1)N1Cc2ccccc2C1 ZINC000052374460 176620995 /nfs/dbraw/zinc/62/09/95/176620995.db2.gz JISDMQIIHOGMTE-CYBMUJFWSA-N 1 3 244.382 2.923 10 0 BFAEHO C[C@@H]1CC[N@@H+](CC2CCCC2)CC[C@H](C)N1 ZINC000049666010 177159265 /nfs/dbraw/zinc/15/92/65/177159265.db2.gz MYEKSRQOIYZYQY-BETUJISGSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@@H]1CC[N@H+](CC2CCCC2)CC[C@H](C)N1 ZINC000049666010 177159267 /nfs/dbraw/zinc/15/92/67/177159267.db2.gz MYEKSRQOIYZYQY-BETUJISGSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@@H]1CCN(CCc2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049664771 177160948 /nfs/dbraw/zinc/16/09/48/177160948.db2.gz UQNDWBQOBDKTOU-GASCZTMLSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@@H]1CC[N@@H+](CCc2ccccc2)CC[C@H](C)N1 ZINC000049664771 177160950 /nfs/dbraw/zinc/16/09/50/177160950.db2.gz UQNDWBQOBDKTOU-GASCZTMLSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@@H]1CC[N@H+](CCc2ccccc2)CC[C@H](C)N1 ZINC000049664771 177160951 /nfs/dbraw/zinc/16/09/51/177160951.db2.gz UQNDWBQOBDKTOU-GASCZTMLSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@H]1CC[C@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000042427271 177200586 /nfs/dbraw/zinc/20/05/86/177200586.db2.gz VGYIESKFFVSTQD-GXTWGEPZSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@H]1CC[C@H](CN)C[N@H+]1CC1CCCCC1 ZINC000042427271 177200588 /nfs/dbraw/zinc/20/05/88/177200588.db2.gz VGYIESKFFVSTQD-GXTWGEPZSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1N ZINC000049694206 177241144 /nfs/dbraw/zinc/24/11/44/177241144.db2.gz DESKPCIAGUFNCR-KORRQRHVSA-N 1 3 248.414 2.624 10 0 BFAEHO C[C@H]1C[N@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1N ZINC000049694206 177241146 /nfs/dbraw/zinc/24/11/46/177241146.db2.gz DESKPCIAGUFNCR-KORRQRHVSA-N 1 3 248.414 2.624 10 0 BFAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1(C)CCCCC1 ZINC000045046052 177327073 /nfs/dbraw/zinc/32/70/73/177327073.db2.gz NFVQOJBLOINVDM-RYUDHWBXSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1(C)CCCCC1 ZINC000045046052 177327075 /nfs/dbraw/zinc/32/70/75/177327075.db2.gz NFVQOJBLOINVDM-RYUDHWBXSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@@H]1[C@@H](C)C[C@H](N)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592868 177364916 /nfs/dbraw/zinc/36/49/16/177364916.db2.gz UKWBVZXKIFQVBE-XFMPKHEZSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1[C@@H](C)C[C@H](N)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592868 177364918 /nfs/dbraw/zinc/36/49/18/177364918.db2.gz UKWBVZXKIFQVBE-XFMPKHEZSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H](N[C@@H](c1ccccc1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400508160 226345228 /nfs/dbraw/zinc/34/52/28/226345228.db2.gz KRMZLOFBGYVVQL-RCBQFDQVSA-N 1 3 244.382 2.725 10 0 BFAEHO C[C@H](N[C@H]1CCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400525882 226345716 /nfs/dbraw/zinc/34/57/16/226345716.db2.gz QAKZFCQBGLXXRQ-BJJXKVORSA-N 1 3 244.382 2.652 10 0 BFAEHO Cc1ccccc1C[C@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400758926 226351503 /nfs/dbraw/zinc/35/15/03/226351503.db2.gz XSHXOVHESPVLDU-DZKIICNBSA-N 1 3 246.398 2.514 10 0 BFAEHO CCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CCC1 ZINC000570077142 323049402 /nfs/dbraw/zinc/04/94/02/323049402.db2.gz FBMXLLKMNWPSAA-OLZOCXBDSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCNC1 ZINC000567645927 326237913 /nfs/dbraw/zinc/23/79/13/326237913.db2.gz JCVLDVWWLHWNNY-STQMWFEESA-N 1 3 226.408 2.790 10 0 BFAEHO c1ccc2c(c1)nccc2NC[C@H]1CCCC[NH2+]1 ZINC000044493388 487820173 /nfs/dbraw/zinc/82/01/73/487820173.db2.gz AFCSQKCPFUZMPJ-GFCCVEGCSA-N 1 3 241.338 2.789 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757127733 582503093 /nfs/dbraw/zinc/50/30/93/582503093.db2.gz HVQYEKMDVJKYES-KBPBESRZSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757127733 582503095 /nfs/dbraw/zinc/50/30/95/582503095.db2.gz HVQYEKMDVJKYES-KBPBESRZSA-N 1 3 224.392 2.783 10 0 BFAEHO CC(C)CCN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757128314 582503270 /nfs/dbraw/zinc/50/32/70/582503270.db2.gz KLJCPSIQLQSELS-KGLIPLIRSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CCN1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757135071 582513595 /nfs/dbraw/zinc/51/35/95/582513595.db2.gz YEBXIPMPCHLBBV-KGLIPLIRSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757135071 582513597 /nfs/dbraw/zinc/51/35/97/582513597.db2.gz YEBXIPMPCHLBBV-KGLIPLIRSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757135071 582513598 /nfs/dbraw/zinc/51/35/98/582513598.db2.gz YEBXIPMPCHLBBV-KGLIPLIRSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@H](C[C@@H](CN)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238856901 524616506 /nfs/dbraw/zinc/61/65/06/524616506.db2.gz XPOCUETWGWPYKX-VNQPRFMTSA-N 1 3 246.398 2.897 10 0 BFAEHO C[C@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1N ZINC000238860509 525082370 /nfs/dbraw/zinc/08/23/70/525082370.db2.gz ZOZDGKPSUAGAMX-WORYOXIGSA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1N ZINC000238860509 525082380 /nfs/dbraw/zinc/08/23/80/525082380.db2.gz ZOZDGKPSUAGAMX-WORYOXIGSA-N 1 3 246.398 2.879 10 0 BFAEHO CC(C)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000070585015 535291214 /nfs/dbraw/zinc/29/12/14/535291214.db2.gz YGJFQVPMSZKXRM-ZDUSSCGKSA-N 1 3 224.392 2.782 10 0 BFAEHO CC(C)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000070585015 535291215 /nfs/dbraw/zinc/29/12/15/535291215.db2.gz YGJFQVPMSZKXRM-ZDUSSCGKSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H]1C[NH2+]C[C@]2(CCCN2CCC2CCC2)C1 ZINC000757126920 582501235 /nfs/dbraw/zinc/50/12/35/582501235.db2.gz HRRSUWBCXJKVMU-HIFRSBDPSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@H]1CNC[C@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126920 582501237 /nfs/dbraw/zinc/50/12/37/582501237.db2.gz HRRSUWBCXJKVMU-HIFRSBDPSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@H]1CNC[C@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126920 582501239 /nfs/dbraw/zinc/50/12/39/582501239.db2.gz HRRSUWBCXJKVMU-HIFRSBDPSA-N 1 3 236.403 2.641 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757128314 582503266 /nfs/dbraw/zinc/50/32/66/582503266.db2.gz KLJCPSIQLQSELS-KGLIPLIRSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757128314 582503269 /nfs/dbraw/zinc/50/32/69/582503269.db2.gz KLJCPSIQLQSELS-KGLIPLIRSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757128320 582503452 /nfs/dbraw/zinc/50/34/52/582503452.db2.gz KLJCPSIQLQSELS-UONOGXRCSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757128320 582503453 /nfs/dbraw/zinc/50/34/53/582503453.db2.gz KLJCPSIQLQSELS-UONOGXRCSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CCN1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757128320 582503455 /nfs/dbraw/zinc/50/34/55/582503455.db2.gz KLJCPSIQLQSELS-UONOGXRCSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757127969 582503481 /nfs/dbraw/zinc/50/34/81/582503481.db2.gz IHQYRYLFBZHNDC-YDHLFZDLSA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@@H](C1CCC1)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757127969 582503482 /nfs/dbraw/zinc/50/34/82/582503482.db2.gz IHQYRYLFBZHNDC-YDHLFZDLSA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@@H](C1CCC1)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127969 582503486 /nfs/dbraw/zinc/50/34/86/582503486.db2.gz IHQYRYLFBZHNDC-YDHLFZDLSA-N 1 3 236.403 2.639 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757133888 582510520 /nfs/dbraw/zinc/51/05/20/582510520.db2.gz VKNRTEAEGVXWMX-ZIAGYGMSSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757133888 582510522 /nfs/dbraw/zinc/51/05/22/582510522.db2.gz VKNRTEAEGVXWMX-ZIAGYGMSSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCCN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757133888 582510524 /nfs/dbraw/zinc/51/05/24/582510524.db2.gz VKNRTEAEGVXWMX-ZIAGYGMSSA-N 1 3 224.392 2.783 10 0 BFAEHO CC1(c2ccc([C@H]3CCN[C@@H](C[NH3+])C3)cc2)CC1 ZINC000757212730 582560799 /nfs/dbraw/zinc/56/07/99/582560799.db2.gz JSKXHJXLJIBRNF-DZGCQCFKSA-N 1 3 244.382 2.532 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757129072 586426644 /nfs/dbraw/zinc/42/66/44/586426644.db2.gz KRMQIKXXINFVDR-MELADBBJSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757129072 586426646 /nfs/dbraw/zinc/42/66/46/586426646.db2.gz KRMQIKXXINFVDR-MELADBBJSA-N 1 3 224.392 2.782 10 0 BFAEHO [NH3+]C[C@H]1CCN[C@H](c2cscc2C(F)F)C1 ZINC000757235804 586443615 /nfs/dbraw/zinc/44/36/15/586443615.db2.gz MTWKHYKKFNEAAE-XVKPBYJWSA-N 1 3 246.326 2.685 10 0 BFAEHO CCCCN1CC[C@@H]([NH2+]CC(C)C)C[C@@H]1C ZINC000073656110 187329553 /nfs/dbraw/zinc/32/95/53/187329553.db2.gz DONJKILCTURYAC-UONOGXRCSA-N 1 3 226.408 2.885 10 0 BFAEHO CCC(CC)N(C)Cc1ccccc1C(N)=[NH2+] ZINC000036789184 168368435 /nfs/dbraw/zinc/36/84/35/168368435.db2.gz JWQKVXGTUBDAKC-UHFFFAOYSA-N 1 3 233.359 2.591 10 0 BFAEHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@@H]1CCCCC1(F)F ZINC000381480619 398259238 /nfs/dbraw/zinc/25/92/38/398259238.db2.gz AHIJFDPTHPEJMD-GRYCIOLGSA-N 1 3 246.345 2.624 10 0 BFAEHO C([NH2+][C@H]1CCCNCC1)[C@@H]1CC2CCC1CC2 ZINC000400021662 344228601 /nfs/dbraw/zinc/22/86/01/344228601.db2.gz NCZQFPUMVBXXCY-WUCCLRPBSA-N 1 3 236.403 2.544 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000220407580 344286346 /nfs/dbraw/zinc/28/63/46/344286346.db2.gz SZOWQRCSACAHRQ-YUELXQCFSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000220407580 344286348 /nfs/dbraw/zinc/28/63/48/344286348.db2.gz SZOWQRCSACAHRQ-YUELXQCFSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@H](CC[N@@H+]1C[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998186 345197625 /nfs/dbraw/zinc/19/76/25/345197625.db2.gz BZPYPQUNPPUBBJ-FMKPAKJESA-N 1 3 246.398 2.707 10 0 BFAEHO C[C@H](CC[N@H+]1C[C@@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998186 345197628 /nfs/dbraw/zinc/19/76/28/345197628.db2.gz BZPYPQUNPPUBBJ-FMKPAKJESA-N 1 3 246.398 2.707 10 0 BFAEHO C[C@@H]([NH2+]CC1(C)CCCC1)[C@H]1CCCNC1 ZINC000580181417 346616800 /nfs/dbraw/zinc/61/68/00/346616800.db2.gz RIIJJNXZRCIWNZ-OLZOCXBDSA-N 1 3 224.392 2.544 10 0 BFAEHO Cc1cccc([C@@H]([C@H](C)[NH3+])N2CCC[C@@H]2C)c1 ZINC000042966737 179187882 /nfs/dbraw/zinc/18/78/82/179187882.db2.gz VNVCALLKXBGHTB-KCQAQPDRSA-N 1 3 232.371 2.868 10 0 BFAEHO Cc1cccc([C@@H]2[C@@H](CN)CCCC[N@H+]2C)c1 ZINC000070278059 179192158 /nfs/dbraw/zinc/19/21/58/179192158.db2.gz HQKRKZXJFPUZPV-HUUCEWRRSA-N 1 3 232.371 2.727 10 0 BFAEHO Cc1cccc([C@@H]2[C@@H](CN)CCCC[N@@H+]2C)c1 ZINC000070278059 179192159 /nfs/dbraw/zinc/19/21/59/179192159.db2.gz HQKRKZXJFPUZPV-HUUCEWRRSA-N 1 3 232.371 2.727 10 0 BFAEHO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C)c1 ZINC000042966735 179203740 /nfs/dbraw/zinc/20/37/40/179203740.db2.gz VNVCALLKXBGHTB-GUTXKFCHSA-N 1 3 232.371 2.868 10 0 BFAEHO Cc1ccccc1CN(C)[C@H]1CCC[C@@H]1C[NH3+] ZINC000036127818 179269063 /nfs/dbraw/zinc/26/90/63/179269063.db2.gz UEAKVEKHHFPDMH-HIFRSBDPSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@@H+](C)[C@H]1CCC[C@@H]1CN ZINC000036127818 179269064 /nfs/dbraw/zinc/26/90/64/179269064.db2.gz UEAKVEKHHFPDMH-HIFRSBDPSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1CN ZINC000036127818 179269065 /nfs/dbraw/zinc/26/90/65/179269065.db2.gz UEAKVEKHHFPDMH-HIFRSBDPSA-N 1 3 232.371 2.554 10 0 BFAEHO CC1CCC(C[NH2+]CCCNC2CC2)CC1 ZINC000163429263 350521883 /nfs/dbraw/zinc/52/18/83/350521883.db2.gz PNPGUYICZLPZCK-UHFFFAOYSA-N 1 3 224.392 2.544 10 0 BFAEHO CCC(F)(F)C(C)(C)CN[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000629531193 538107783 /nfs/dbraw/zinc/10/77/83/538107783.db2.gz CZJXSXUAHDILBA-WDEREUQCSA-N 1 3 248.361 2.646 10 0 BFAEHO CC(C)([NH3+])CCN(Cc1ccccc1)C1CC1 ZINC000307726593 353097381 /nfs/dbraw/zinc/09/73/81/353097381.db2.gz DKFYNKLFCDGOGZ-UHFFFAOYSA-N 1 3 232.371 2.778 10 0 BFAEHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000414804848 191576028 /nfs/dbraw/zinc/57/60/28/191576028.db2.gz PDPCOSHNRAVDNW-KWCYVHTRSA-N 1 3 224.392 2.672 10 0 BFAEHO CC[C@H]1CC[C@@H](CCN2CCCCC2)[N@H+](C)C1 ZINC000584652399 358307560 /nfs/dbraw/zinc/30/75/60/358307560.db2.gz JOLHHPBOZQCLKE-GJZGRUSLSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@H]1CC[C@@H](CCN2CCCCC2)[N@@H+](C)C1 ZINC000584652399 358307562 /nfs/dbraw/zinc/30/75/62/358307562.db2.gz JOLHHPBOZQCLKE-GJZGRUSLSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@H]1CC[C@@H](CC[NH+]2CCCCC2)N(C)C1 ZINC000584652399 358307565 /nfs/dbraw/zinc/30/75/65/358307565.db2.gz JOLHHPBOZQCLKE-GJZGRUSLSA-N 1 3 238.419 2.983 10 0 BFAEHO C[C@@H]([NH3+])C[C@H](C)Nc1ccnc2ccccc21 ZINC000228269972 358372319 /nfs/dbraw/zinc/37/23/19/358372319.db2.gz BMMKQPXRYQZOPO-MNOVXSKESA-N 1 3 229.327 2.773 10 0 BFAEHO CCN1CC[C@@H](C[NH2+]CC2CCC(C)CC2)C1 ZINC000089576338 360027893 /nfs/dbraw/zinc/02/78/93/360027893.db2.gz FMVHKTRNCZBSAQ-NRXISQOPSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@H]1CCCNC1 ZINC000629555336 361446158 /nfs/dbraw/zinc/44/61/58/361446158.db2.gz UZHWAXDTTAWGCE-MELADBBJSA-N 1 3 236.403 2.544 10 0 BFAEHO CC1CCC(CN[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000399004114 364692209 /nfs/dbraw/zinc/69/22/09/364692209.db2.gz VVRROPOTMAPNCY-GNRIBBGQSA-N 1 3 224.392 2.543 10 0 BFAEHO CN(C)CC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000006371979 369046246 /nfs/dbraw/zinc/04/62/46/369046246.db2.gz OKILUWJRJYUHTO-OAHLLOKOSA-N 1 3 228.339 2.791 10 0 BFAEHO C[NH+](C)CC[C@@H](N)c1cccc2ccccc21 ZINC000006371979 369046251 /nfs/dbraw/zinc/04/62/51/369046251.db2.gz OKILUWJRJYUHTO-OAHLLOKOSA-N 1 3 228.339 2.791 10 0 BFAEHO CCCC[NH+](CCCC)Cc1cccnc1CN ZINC000061656497 168806567 /nfs/dbraw/zinc/80/65/67/168806567.db2.gz MOJJMXDSKKRWBC-UHFFFAOYSA-N 1 3 249.402 2.943 10 0 BFAEHO CCC[NH+](CCC)C[C@@H]1C[C@H](C)CC[C@@H]1N ZINC000053862561 169149118 /nfs/dbraw/zinc/14/91/18/169149118.db2.gz LJJJZRVAEYFBQZ-RDBSUJKOSA-N 1 3 226.408 2.872 10 0 BFAEHO CCC[NH+](CCC)CC[C@H](N)C(C)(C)C ZINC000054027122 169147825 /nfs/dbraw/zinc/14/78/25/169147825.db2.gz IULHEALVYRKWPM-LBPRGKRZSA-N 1 3 214.397 2.872 10 0 BFAEHO CCC[NH+](CCC)C[C@H]1C[C@@H](C)CC[C@@H]1N ZINC000053862565 169148621 /nfs/dbraw/zinc/14/86/21/169148621.db2.gz LJJJZRVAEYFBQZ-MJBXVCDLSA-N 1 3 226.408 2.872 10 0 BFAEHO c1cc(CN2CCCC2)c(C[NH2+]C2CC2)s1 ZINC000045205674 183340485 /nfs/dbraw/zinc/34/04/85/183340485.db2.gz OCGUPXPQWWJLFR-UHFFFAOYSA-N 1 3 236.384 2.596 10 0 BFAEHO CCCN1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073654099 169209221 /nfs/dbraw/zinc/20/92/21/169209221.db2.gz OIENUARUPLILPL-ZBFHGGJFSA-N 1 3 246.398 2.897 10 0 BFAEHO c1ccc(CC[NH2+]CCCN2CCCCC2)cc1 ZINC000020128726 183393685 /nfs/dbraw/zinc/39/36/85/183393685.db2.gz LPBCGKLXVLPNJA-UHFFFAOYSA-N 1 3 246.398 2.695 10 0 BFAEHO c1ccc(CCNCCC[NH+]2CCCCC2)cc1 ZINC000020128726 183393687 /nfs/dbraw/zinc/39/36/87/183393687.db2.gz LPBCGKLXVLPNJA-UHFFFAOYSA-N 1 3 246.398 2.695 10 0 BFAEHO CCC[NH2+]Cc1ccc(CN(C)C2CC2)cc1 ZINC000052445506 169267095 /nfs/dbraw/zinc/26/70/95/169267095.db2.gz LZUNYHFHQCRFSX-UHFFFAOYSA-N 1 3 232.371 2.780 10 0 BFAEHO c1ccc(CN2CCC[C@@H]3CC[NH2+]CC[C@H]32)cc1 ZINC000096984992 183398873 /nfs/dbraw/zinc/39/88/73/183398873.db2.gz IGDDBRCILDMGLA-HZPDHXFCSA-N 1 3 244.382 2.651 10 0 BFAEHO C[C@H]1C[C@H]([NH3+])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000068592741 384003159 /nfs/dbraw/zinc/00/31/59/384003159.db2.gz ZJJABKUGECYXQM-XFMPKHEZSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H]([NH2+]CC1(C)CCCCC1)[C@H]1CCCNC1 ZINC000569566617 384255819 /nfs/dbraw/zinc/25/58/19/384255819.db2.gz DVKSAJXOFNJQOJ-KBPBESRZSA-N 1 3 238.419 2.935 10 0 BFAEHO FC1(F)CCCC[C@@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000335662745 384470152 /nfs/dbraw/zinc/47/01/52/384470152.db2.gz LWXODADFTCPMCF-VXGBXAGGSA-N 1 3 246.345 2.544 10 0 BFAEHO FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000335662745 384470157 /nfs/dbraw/zinc/47/01/57/384470157.db2.gz LWXODADFTCPMCF-VXGBXAGGSA-N 1 3 246.345 2.544 10 0 BFAEHO C(CN1CCC2(CCCC2)C1)C[NH+]1CCCC1 ZINC000162078129 384549200 /nfs/dbraw/zinc/54/92/00/384549200.db2.gz WSRQWWGYACDHTC-UHFFFAOYSA-N 1 3 236.403 2.738 10 0 BFAEHO CC[C@H]([NH3+])CNc1cc(C)nc2ccccc21 ZINC000104210945 384675290 /nfs/dbraw/zinc/67/52/90/384675290.db2.gz KNABQOSQENQNPW-NSHDSACASA-N 1 3 229.327 2.692 10 0 BFAEHO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)CN ZINC000336677706 385610982 /nfs/dbraw/zinc/61/09/82/385610982.db2.gz QGRCNIRMWNJFIE-RFQIPJPRSA-N 1 3 226.408 2.632 10 0 BFAEHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CCCNC1 ZINC000519596622 386497177 /nfs/dbraw/zinc/49/71/77/386497177.db2.gz UBEPZBHOXNXTIL-AAVRWANBSA-N 1 3 224.392 2.543 10 0 BFAEHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CCCNC1 ZINC000520394172 386661332 /nfs/dbraw/zinc/66/13/32/386661332.db2.gz PNJHIKNDYISGSL-TUVASFSCSA-N 1 3 238.419 2.933 10 0 BFAEHO N[C@H](CCCC[NH3+])c1c(F)cccc1Cl ZINC000575439104 387122406 /nfs/dbraw/zinc/12/24/06/387122406.db2.gz SNVHSIDVUYRFHK-SNVBAGLBSA-N 1 3 230.714 2.608 10 0 BFAEHO C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCNC1 ZINC000516450394 387509430 /nfs/dbraw/zinc/50/94/30/387509430.db2.gz KQFGGHFRCDDPCV-DZGCQCFKSA-N 1 3 236.403 2.855 10 0 BFAEHO C[C@@H]([NH2+]CCC(C)(C)C1CC1)[C@H]1CCCNC1 ZINC000643491134 387578843 /nfs/dbraw/zinc/57/88/43/387578843.db2.gz AIAFBPNMOFWKBY-OLZOCXBDSA-N 1 3 238.419 2.790 10 0 BFAEHO C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CCCNC1 ZINC000643492776 388091625 /nfs/dbraw/zinc/09/16/25/388091625.db2.gz CYKDVBXPNMBJSU-CHWSQXEVSA-N 1 3 238.419 2.790 10 0 BFAEHO CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000164423135 135252104 /nfs/dbraw/zinc/25/21/04/135252104.db2.gz RDDJMNYHPYIXGR-ZIAGYGMSSA-N 1 3 226.408 2.885 10 0 BFAEHO CC(C)[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517504 398118807 /nfs/dbraw/zinc/11/88/07/398118807.db2.gz GNQXTUZAQKUBIC-KBMXLJTQSA-N 1 3 246.398 2.971 10 0 BFAEHO CC(C)[NH2+]CCC[C@H](C)N(C)Cc1ccoc1 ZINC000052545644 167103188 /nfs/dbraw/zinc/10/31/88/167103188.db2.gz ZKMDVLSWHTXOKK-ZDUSSCGKSA-N 1 3 238.375 2.878 10 0 BFAEHO CC(C)NC[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012604 167114401 /nfs/dbraw/zinc/11/44/01/167114401.db2.gz TZNNXASWEMWYDQ-CYBMUJFWSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)NC[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012604 167114402 /nfs/dbraw/zinc/11/44/02/167114402.db2.gz TZNNXASWEMWYDQ-CYBMUJFWSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)[NH2+]C[C@H]1CCN(C2CCCCC2)C1 ZINC000053012604 167114404 /nfs/dbraw/zinc/11/44/04/167114404.db2.gz TZNNXASWEMWYDQ-CYBMUJFWSA-N 1 3 224.392 2.639 10 0 BFAEHO Cc1ccc(C)c(CNC(C)(C)CC[NH3+])c1 ZINC000258862040 322879328 /nfs/dbraw/zinc/87/93/28/322879328.db2.gz OMTCNWMOAVXYHE-UHFFFAOYSA-N 1 3 220.360 2.520 10 0 BFAEHO CC(C)C[NH2+]CC(C)(C)CN(C)CC1CCC1 ZINC000061484404 167002482 /nfs/dbraw/zinc/00/24/82/167002482.db2.gz SWSPBNWEIGQQKA-UHFFFAOYSA-N 1 3 240.435 2.990 10 0 BFAEHO CC(C)[NH2+]CC1(CN(C)CC2CC2)CCCC1 ZINC000051249718 167100587 /nfs/dbraw/zinc/10/05/87/167100587.db2.gz KCOPVUVIWJJKHO-UHFFFAOYSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN(CC)C[C@@H](C[NH3+])c1ccc(C)c(C)c1 ZINC000041264667 169785377 /nfs/dbraw/zinc/78/53/77/169785377.db2.gz HQVFGIBJASENNG-OAHLLOKOSA-N 1 3 234.387 2.688 10 0 BFAEHO Cc1cc(NCC[NH2+]C2CC2)c2ccccc2n1 ZINC000054267793 411263784 /nfs/dbraw/zinc/26/37/84/411263784.db2.gz ISAYYOLLOCENDW-UHFFFAOYSA-N 1 3 241.338 2.707 10 0 BFAEHO CC1CCC([N@H+](C)[C@H]2CCC[C@@H]2CN)CC1 ZINC000042472700 168159787 /nfs/dbraw/zinc/15/97/87/168159787.db2.gz ISLXJSLKCACDDK-HHTDUIENSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC([N@@H+](C)[C@H]2CCC[C@@H]2CN)CC1 ZINC000042472700 168159789 /nfs/dbraw/zinc/15/97/89/168159789.db2.gz ISLXJSLKCACDDK-HHTDUIENSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC([N@H+](C)[C@@H]2CCC[C@@H]2CN)CC1 ZINC000042472698 168160033 /nfs/dbraw/zinc/16/00/33/168160033.db2.gz ISLXJSLKCACDDK-FKZOYECMSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC([N@@H+](C)[C@@H]2CCC[C@@H]2CN)CC1 ZINC000042472698 168160035 /nfs/dbraw/zinc/16/00/35/168160035.db2.gz ISLXJSLKCACDDK-FKZOYECMSA-N 1 3 224.392 2.624 10 0 BFAEHO CCNC[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000053030883 170122622 /nfs/dbraw/zinc/12/26/22/170122622.db2.gz VNZHRFLZNCJGKE-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNC[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000053030883 170122624 /nfs/dbraw/zinc/12/26/24/170122624.db2.gz VNZHRFLZNCJGKE-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNCc1cc(C[N@H+](C)[C@@H](C)CC)c(C)o1 ZINC000052444287 170125187 /nfs/dbraw/zinc/12/51/87/170125187.db2.gz QRYKOTKCCXCCMX-NSHDSACASA-N 1 3 238.375 2.928 10 0 BFAEHO CCNCc1cc(C[N@@H+](C)[C@@H](C)CC)c(C)o1 ZINC000052444287 170125188 /nfs/dbraw/zinc/12/51/88/170125188.db2.gz QRYKOTKCCXCCMX-NSHDSACASA-N 1 3 238.375 2.928 10 0 BFAEHO CC[NH2+]Cc1ccoc1CN1CCC(C)CC1 ZINC000052376935 170129709 /nfs/dbraw/zinc/12/97/09/170129709.db2.gz GAYLNORECMZQPM-UHFFFAOYSA-N 1 3 236.359 2.621 10 0 BFAEHO CC[NH2+][C@@H](C)CCCN1Cc2ccccc2C1 ZINC000050910825 170139456 /nfs/dbraw/zinc/13/94/56/170139456.db2.gz WAPSZLZZSXADAR-ZDUSSCGKSA-N 1 3 232.371 2.780 10 0 BFAEHO CC[NH2+][C@@H]1CCCCC[C@@H]1CN(C)CC1CC1 ZINC000053870079 170150157 /nfs/dbraw/zinc/15/01/57/170150157.db2.gz AVFICXIWBNALKF-HUUCEWRRSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+][C@@H]1CCC[C@H]1CN1CCC(C)(C)CC1 ZINC000061822432 170151696 /nfs/dbraw/zinc/15/16/96/170151696.db2.gz ORVNDACZASEICM-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@H](CC(F)F)C[N@H+](C)[C@H]1CCCNCC1 ZINC000662266520 412057868 /nfs/dbraw/zinc/05/78/68/412057868.db2.gz ICIXVXLQVCYBIC-NEPJUHHUSA-N 1 3 248.361 2.742 10 0 BFAEHO CC[C@H](CC(F)F)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000662266520 412057872 /nfs/dbraw/zinc/05/78/72/412057872.db2.gz ICIXVXLQVCYBIC-NEPJUHHUSA-N 1 3 248.361 2.742 10 0 BFAEHO CC[C@@H]1CC[C@H](NC)[C@H](C[N@@H+]2CC[C@H](C)C2)C1 ZINC000053870368 171055824 /nfs/dbraw/zinc/05/58/24/171055824.db2.gz OSNBMIBPGXVMSR-XGUBFFRZSA-N 1 3 238.419 2.743 10 0 BFAEHO CC[C@@H]1CC[C@H](NC)[C@H](C[N@H+]2CC[C@H](C)C2)C1 ZINC000053870368 171055828 /nfs/dbraw/zinc/05/58/28/171055828.db2.gz OSNBMIBPGXVMSR-XGUBFFRZSA-N 1 3 238.419 2.743 10 0 BFAEHO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000665236369 412176553 /nfs/dbraw/zinc/17/65/53/412176553.db2.gz LKLBYPVRIXMUOL-AVGNSLFASA-N 1 3 226.408 2.789 10 0 BFAEHO CN1CCCC[C@@H]1CC[NH2+]CCc1ccccc1 ZINC000049633302 173005847 /nfs/dbraw/zinc/00/58/47/173005847.db2.gz FWJZNYXNHXMROY-MRXNPFEDSA-N 1 3 246.398 2.693 10 0 BFAEHO C[N@@H+]1CCCC[C@@H]1CCNCCc1ccccc1 ZINC000049633302 173005848 /nfs/dbraw/zinc/00/58/48/173005848.db2.gz FWJZNYXNHXMROY-MRXNPFEDSA-N 1 3 246.398 2.693 10 0 BFAEHO C[N@H+]1CCCC[C@@H]1CCNCCc1ccccc1 ZINC000049633302 173005850 /nfs/dbraw/zinc/00/58/50/173005850.db2.gz FWJZNYXNHXMROY-MRXNPFEDSA-N 1 3 246.398 2.693 10 0 BFAEHO CNCC1(C[NH+]2CCCCCC2)CCCC1 ZINC000051210338 173337995 /nfs/dbraw/zinc/33/79/95/173337995.db2.gz QCMSUUMATARAFD-UHFFFAOYSA-N 1 3 224.392 2.642 10 0 BFAEHO C[NH2+]CCCCN(C)[C@@H](C)c1ccccc1F ZINC000062019094 173345485 /nfs/dbraw/zinc/34/54/85/173345485.db2.gz VJOHSPAYGURODN-LBPRGKRZSA-N 1 3 238.350 2.818 10 0 BFAEHO CNC[C@@](C)(C[N@H+](C)C(C)C)c1ccccc1 ZINC000051210950 173372292 /nfs/dbraw/zinc/37/22/92/173372292.db2.gz CLYAKPMPHUTPGK-HNNXBMFYSA-N 1 3 234.387 2.504 10 0 BFAEHO CNC[C@@](C)(C[N@@H+](C)C(C)C)c1ccccc1 ZINC000051210950 173372294 /nfs/dbraw/zinc/37/22/94/173372294.db2.gz CLYAKPMPHUTPGK-HNNXBMFYSA-N 1 3 234.387 2.504 10 0 BFAEHO CNCc1cc(C[N@H+](C)C2CCCC2)oc1C ZINC000052444733 173386813 /nfs/dbraw/zinc/38/68/13/173386813.db2.gz LEPKXCLYPMGMNY-UHFFFAOYSA-N 1 3 236.359 2.682 10 0 BFAEHO CNCc1cc(C[N@@H+](C)C2CCCC2)oc1C ZINC000052444733 173386814 /nfs/dbraw/zinc/38/68/14/173386814.db2.gz LEPKXCLYPMGMNY-UHFFFAOYSA-N 1 3 236.359 2.682 10 0 BFAEHO C[C@@H]1CCCCN1C[C@@H](C[NH3+])c1ccccc1 ZINC000035731273 176073728 /nfs/dbraw/zinc/07/37/28/176073728.db2.gz SRTRUOKCHVSCLA-UKRRQHHQSA-N 1 3 232.371 2.603 10 0 BFAEHO C[C@@H]1CCCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071249777 176102386 /nfs/dbraw/zinc/10/23/86/176102386.db2.gz IPMLGEPMODIPTO-LLVKDONJSA-N 1 3 236.334 2.516 10 0 BFAEHO C[C@@H]1CCC[N@@H+]1[C@@H](CCN)c1ccccc1 ZINC000055016246 176109745 /nfs/dbraw/zinc/10/97/45/176109745.db2.gz HOMLBWUTRBVTEF-OCCSQVGLSA-N 1 3 218.344 2.561 10 0 BFAEHO C[C@@H]1CCC[N@H+]1[C@@H](CCN)c1ccccc1 ZINC000055016246 176109748 /nfs/dbraw/zinc/10/97/48/176109748.db2.gz HOMLBWUTRBVTEF-OCCSQVGLSA-N 1 3 218.344 2.561 10 0 BFAEHO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H]1CCCC[C@@H]1N ZINC000058081513 176116616 /nfs/dbraw/zinc/11/66/16/176116616.db2.gz YHOBHJWFYLLUOD-MQYQWHSLSA-N 1 3 224.392 2.767 10 0 BFAEHO C[C@@H]1CC[N@@H+](C2CCCCCC2)CCCN1 ZINC000049665827 176167047 /nfs/dbraw/zinc/16/70/47/176167047.db2.gz YSGHAIMAJLCPOL-CYBMUJFWSA-N 1 3 224.392 2.783 10 0 BFAEHO C[C@@H]1CC[N@H+](C2CCCCCC2)CCCN1 ZINC000049665827 176167049 /nfs/dbraw/zinc/16/70/49/176167049.db2.gz YSGHAIMAJLCPOL-CYBMUJFWSA-N 1 3 224.392 2.783 10 0 BFAEHO C[C@@H]1CC[N@H+](CC2(CNC3CC3)CCCC2)C1 ZINC000051249952 176167855 /nfs/dbraw/zinc/16/78/55/176167855.db2.gz RKLNLZUCRAXDDA-CYBMUJFWSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@@H]1CC[N@@H+](CC2(CNC3CC3)CCCC2)C1 ZINC000051249952 176167857 /nfs/dbraw/zinc/16/78/57/176167857.db2.gz RKLNLZUCRAXDDA-CYBMUJFWSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@@H]1C(N)[C@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592753 177060594 /nfs/dbraw/zinc/06/05/94/177060594.db2.gz ZOZDGKPSUAGAMX-HZWJRBNISA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@@H]1C(N)[C@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592753 177060596 /nfs/dbraw/zinc/06/05/96/177060596.db2.gz ZOZDGKPSUAGAMX-HZWJRBNISA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@H]1CCC[C@H](C)[NH+]1CC[C@@H]1CCCCN1 ZINC000034972519 177131494 /nfs/dbraw/zinc/13/14/94/177131494.db2.gz RRFNQQSPWKMWKZ-IHRRRGAJSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H]1CCC[C@H](C)N1CC[C@@H]1CCCC[NH2+]1 ZINC000034972519 177131495 /nfs/dbraw/zinc/13/14/95/177131495.db2.gz RRFNQQSPWKMWKZ-IHRRRGAJSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H]1CC[C@@H](N)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000034781424 177192190 /nfs/dbraw/zinc/19/21/90/177192190.db2.gz LTPYDUURZCTDIC-APHBMKBZSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@H]1CC[C@@H](N)[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000034781424 177192192 /nfs/dbraw/zinc/19/21/92/177192192.db2.gz LTPYDUURZCTDIC-APHBMKBZSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](CCC2CCCC2)C1 ZINC000049666902 177285800 /nfs/dbraw/zinc/28/58/00/177285800.db2.gz DANFFYROHFOVGT-OKILXGFUSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@@H]1CNC[C@H](C)C[N@H+](CCC2CCCC2)C1 ZINC000049666902 177285801 /nfs/dbraw/zinc/28/58/01/177285801.db2.gz DANFFYROHFOVGT-OKILXGFUSA-N 1 3 238.419 2.744 10 0 BFAEHO Cc1ccccc1C[C@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400758932 226351611 /nfs/dbraw/zinc/35/16/11/226351611.db2.gz XSHXOVHESPVLDU-LZWOXQAQSA-N 1 3 246.398 2.514 10 0 BFAEHO CC1CCC(C[N@@H+]2CC[C@H](N)C[C@H]2C)CC1 ZINC000251962803 487808976 /nfs/dbraw/zinc/80/89/76/487808976.db2.gz XSAGVPKPGGNXRG-HHTDUIENSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC(C[N@H+]2CC[C@H](N)C[C@H]2C)CC1 ZINC000251962803 487808979 /nfs/dbraw/zinc/80/89/79/487808979.db2.gz XSAGVPKPGGNXRG-HHTDUIENSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC(CN2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000251962803 487808983 /nfs/dbraw/zinc/80/89/83/487808983.db2.gz XSAGVPKPGGNXRG-HHTDUIENSA-N 1 3 224.392 2.624 10 0 BFAEHO CC(C)CC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000565827695 325961064 /nfs/dbraw/zinc/96/10/64/325961064.db2.gz AWYJYXFBCYJUGD-KBPBESRZSA-N 1 3 238.419 2.790 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@@H]1CCCNC1 ZINC000568988897 326383759 /nfs/dbraw/zinc/38/37/59/326383759.db2.gz ZBBRYUMDAJSCOQ-TUAOUCFPSA-N 1 3 246.345 2.542 10 0 BFAEHO C[C@H](N[C@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000568988897 326383761 /nfs/dbraw/zinc/38/37/61/326383761.db2.gz ZBBRYUMDAJSCOQ-TUAOUCFPSA-N 1 3 246.345 2.542 10 0 BFAEHO CC[NH2+]C[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000053012244 488071947 /nfs/dbraw/zinc/07/19/47/488071947.db2.gz VMWSQEZYGAZBKQ-UONOGXRCSA-N 1 3 232.371 2.679 10 0 BFAEHO CCCCCC[N@@H+]1CCCC12CCNCC2 ZINC000757129093 582504690 /nfs/dbraw/zinc/50/46/90/582504690.db2.gz KRUQOKVZCCLUGV-UHFFFAOYSA-N 1 3 224.392 2.785 10 0 BFAEHO CCCCCC[N@H+]1CCCC12CCNCC2 ZINC000757129093 582504692 /nfs/dbraw/zinc/50/46/92/582504692.db2.gz KRUQOKVZCCLUGV-UHFFFAOYSA-N 1 3 224.392 2.785 10 0 BFAEHO CCCCN1CC[C@H]([NH2+]C(C)C)C[C@H]1C ZINC000252475373 520595648 /nfs/dbraw/zinc/59/56/48/520595648.db2.gz ZDXRLQUXCNOFTA-OLZOCXBDSA-N 1 3 212.381 2.637 10 0 BFAEHO C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[C@H](C)N1Cc1ccccc1 ZINC000247859924 525247617 /nfs/dbraw/zinc/24/76/17/525247617.db2.gz ZJJABKUGECYXQM-UKTARXLSSA-N 1 3 232.371 2.633 10 0 BFAEHO CCC1CCC([NH2+][C@@H](C)[C@@H]2CCCN2)CC1 ZINC000400749754 527859980 /nfs/dbraw/zinc/85/99/80/527859980.db2.gz VHAHFEGIPKCAIT-ABXWRUBCSA-N 1 3 224.392 2.685 10 0 BFAEHO C[C@@H](C1CCC1)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757127986 582503563 /nfs/dbraw/zinc/50/35/63/582503563.db2.gz ILBDTSFFOUFXBO-VNHYZAJKSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H](C1CCC1)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757127986 582503564 /nfs/dbraw/zinc/50/35/64/582503564.db2.gz ILBDTSFFOUFXBO-VNHYZAJKSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H](C1CCC1)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127986 582503566 /nfs/dbraw/zinc/50/35/66/582503566.db2.gz ILBDTSFFOUFXBO-VNHYZAJKSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H](C1CCC1)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757127967 582503625 /nfs/dbraw/zinc/50/36/25/582503625.db2.gz IHQYRYLFBZHNDC-KCQAQPDRSA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@@H](C1CCC1)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757127967 582503627 /nfs/dbraw/zinc/50/36/27/582503627.db2.gz IHQYRYLFBZHNDC-KCQAQPDRSA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@@H](C1CCC1)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127967 582503629 /nfs/dbraw/zinc/50/36/29/582503629.db2.gz IHQYRYLFBZHNDC-KCQAQPDRSA-N 1 3 236.403 2.639 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757133885 582510236 /nfs/dbraw/zinc/51/02/36/582510236.db2.gz VKNRTEAEGVXWMX-UONOGXRCSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757133885 582510237 /nfs/dbraw/zinc/51/02/37/582510237.db2.gz VKNRTEAEGVXWMX-UONOGXRCSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCCN1CCC[C@@]12CCC[NH2+][C@H]2C ZINC000757133885 582510238 /nfs/dbraw/zinc/51/02/38/582510238.db2.gz VKNRTEAEGVXWMX-UONOGXRCSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757133880 582510633 /nfs/dbraw/zinc/51/06/33/582510633.db2.gz VKNRTEAEGVXWMX-KBPBESRZSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757133880 582510636 /nfs/dbraw/zinc/51/06/36/582510636.db2.gz VKNRTEAEGVXWMX-KBPBESRZSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCCN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757133880 582510638 /nfs/dbraw/zinc/51/06/38/582510638.db2.gz VKNRTEAEGVXWMX-KBPBESRZSA-N 1 3 224.392 2.783 10 0 BFAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757129183 586425983 /nfs/dbraw/zinc/42/59/83/586425983.db2.gz KVPVSJYEQRWNOB-MGPQQGTHSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757129183 586425985 /nfs/dbraw/zinc/42/59/85/586425985.db2.gz KVPVSJYEQRWNOB-MGPQQGTHSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@@H](C)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129183 586425986 /nfs/dbraw/zinc/42/59/86/586425986.db2.gz KVPVSJYEQRWNOB-MGPQQGTHSA-N 1 3 224.392 2.637 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757131115 586426534 /nfs/dbraw/zinc/42/65/34/586426534.db2.gz PILGFWBOIHHMLK-GXTWGEPZSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757131115 586426536 /nfs/dbraw/zinc/42/65/36/586426536.db2.gz PILGFWBOIHHMLK-GXTWGEPZSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)N1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757131115 586426537 /nfs/dbraw/zinc/42/65/37/586426537.db2.gz PILGFWBOIHHMLK-GXTWGEPZSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757135280 586426877 /nfs/dbraw/zinc/42/68/77/586426877.db2.gz ZGVKGVINJVNHKC-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757135280 586426880 /nfs/dbraw/zinc/42/68/80/586426880.db2.gz ZGVKGVINJVNHKC-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)N1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757135280 586426883 /nfs/dbraw/zinc/42/68/83/586426883.db2.gz ZGVKGVINJVNHKC-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1(c2ccc([C@@H]3CC[C@@H](C[NH3+])NC3)cc2)CC1 ZINC000757206759 586437275 /nfs/dbraw/zinc/43/72/75/586437275.db2.gz AMZXPDIZXMPEAZ-HIFRSBDPSA-N 1 3 244.382 2.532 10 0 BFAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@H](c2cccc3cc[nH]c32)N1 ZINC000757219265 586442104 /nfs/dbraw/zinc/44/21/04/586442104.db2.gz WHJBCEFAIRGYGD-IFUGULHKSA-N 1 3 243.354 2.556 10 0 BFAEHO [NH3+][C@@H]1CC[C@H](CNc2ccnc3ccccc32)C1 ZINC000227642461 635452753 /nfs/dbraw/zinc/45/27/53/635452753.db2.gz NYDGUOYKHOMAAF-NWDGAFQWSA-N 1 3 241.338 2.774 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757132629 643258802 /nfs/dbraw/zinc/25/88/02/643258802.db2.gz ROJXGNDTUUGSQA-RDBSUJKOSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757132629 643258811 /nfs/dbraw/zinc/25/88/11/643258811.db2.gz ROJXGNDTUUGSQA-RDBSUJKOSA-N 1 3 224.392 2.639 10 0 BFAEHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000084217550 644421039 /nfs/dbraw/zinc/42/10/39/644421039.db2.gz RVXBCNOONLEFSA-GXTWGEPZSA-N 1 3 224.392 2.816 10 0 BFAEHO C[C@H](C[N@@H+]1C[C@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC000709178899 712203694 /nfs/dbraw/zinc/20/36/94/712203694.db2.gz RKJPNLLNGRJTLA-AVGNSLFASA-N 1 3 226.408 2.585 10 0 BFAEHO C[C@H](C[N@H+]1C[C@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC000709178899 712203696 /nfs/dbraw/zinc/20/36/96/712203696.db2.gz RKJPNLLNGRJTLA-AVGNSLFASA-N 1 3 226.408 2.585 10 0 BFAEHO C[C@H]([NH2+]CCCC1CCCC1)[C@H]1CCCNC1 ZINC000576528155 365619280 /nfs/dbraw/zinc/61/92/80/365619280.db2.gz DTRUQMREIWDPFO-ZFWWWQNUSA-N 1 3 238.419 2.935 10 0 BFAEHO CN(C[C@H]1CCCCC1(F)F)CC(C)(C)C[NH3+] ZINC000381584113 398254339 /nfs/dbraw/zinc/25/43/39/398254339.db2.gz CGKPNIOZJVKERC-LLVKDONJSA-N 1 3 248.361 2.729 10 0 BFAEHO C[N@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)CN ZINC000381584113 398254341 /nfs/dbraw/zinc/25/43/41/398254341.db2.gz CGKPNIOZJVKERC-LLVKDONJSA-N 1 3 248.361 2.729 10 0 BFAEHO C[N@@H+](C[C@H]1CCCCC1(F)F)CC(C)(C)CN ZINC000381584113 398254343 /nfs/dbraw/zinc/25/43/43/398254343.db2.gz CGKPNIOZJVKERC-LLVKDONJSA-N 1 3 248.361 2.729 10 0 BFAEHO CC(C)N(C)[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000019486591 187252921 /nfs/dbraw/zinc/25/29/21/187252921.db2.gz JLDYRUCFYLBGFR-OAHLLOKOSA-N 1 3 232.371 2.517 10 0 BFAEHO CCc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400726854 529721874 /nfs/dbraw/zinc/72/18/74/529721874.db2.gz PPHOIMLLAUIIRC-XEZPLFJOSA-N 1 3 246.398 2.898 10 0 BFAEHO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](CN2CCCCC2)C1 ZINC000054559595 187271925 /nfs/dbraw/zinc/27/19/25/187271925.db2.gz PHLZTWSNPRSJAF-ILXRZTDVSA-N 1 3 238.419 2.872 10 0 BFAEHO CC1(C)CCC[C@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000335637383 345432383 /nfs/dbraw/zinc/43/23/83/345432383.db2.gz ZYYOPVLILCRTTI-QWHCGFSZSA-N 1 3 224.392 2.544 10 0 BFAEHO CC[C@@H]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@H]2C)C1 ZINC000394516013 346541844 /nfs/dbraw/zinc/54/18/44/346541844.db2.gz MFIKHFIXWPWQBD-YIYPIFLZSA-N 1 3 224.392 2.624 10 0 BFAEHO Cc1ccccc1CN1CCC[NH2+][C@H](C)CC1 ZINC000049666744 179273459 /nfs/dbraw/zinc/27/34/59/179273459.db2.gz SEQYFZJMHWAFCQ-CQSZACIVSA-N 1 3 232.371 2.569 10 0 BFAEHO Cc1ccccc1CN1CC[C@@H](C)[NH2+]C[C@H](C)C1 ZINC000049666756 179275122 /nfs/dbraw/zinc/27/51/22/179275122.db2.gz HTQMNEZYOWEPOD-DZGCQCFKSA-N 1 3 246.398 2.815 10 0 BFAEHO CCCC1CC[NH+]([C@H]2CCC[C@H]2CN)CC1 ZINC000050893152 168608037 /nfs/dbraw/zinc/60/80/37/168608037.db2.gz RGWFKRFRXBZOLG-KBPBESRZSA-N 1 3 224.392 2.626 10 0 BFAEHO CC(C)C[C@H](C)CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000304248761 188250449 /nfs/dbraw/zinc/25/04/49/188250449.db2.gz GMOBSCZTLMWLKL-STQMWFEESA-N 1 3 226.408 2.728 10 0 BFAEHO CC(C)[C@H](N)C[N@H+](Cc1ccccc1)C(C)C ZINC000039141066 188291159 /nfs/dbraw/zinc/29/11/59/188291159.db2.gz LUFYXZPJFMFWCR-OAHLLOKOSA-N 1 3 234.387 2.880 10 0 BFAEHO CC(C)[C@H](N)C[N@@H+](Cc1ccccc1)C(C)C ZINC000039141066 188291161 /nfs/dbraw/zinc/29/11/61/188291161.db2.gz LUFYXZPJFMFWCR-OAHLLOKOSA-N 1 3 234.387 2.880 10 0 BFAEHO C[C@@H]1CN[C@H](C)CC[N@H+](CCC2CCCC2)C1 ZINC000049666895 188299060 /nfs/dbraw/zinc/29/90/60/188299060.db2.gz MIJJOZILIUEPIL-ZIAGYGMSSA-N 1 3 238.419 2.887 10 0 BFAEHO C[C@@H]1CN[C@H](C)CC[N@@H+](CCC2CCCC2)C1 ZINC000049666895 188299061 /nfs/dbraw/zinc/29/90/61/188299061.db2.gz MIJJOZILIUEPIL-ZIAGYGMSSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@H]1CC[C@H](CCN2CCCC2)[N@H+](C)C1 ZINC000584652211 358306799 /nfs/dbraw/zinc/30/67/99/358306799.db2.gz QQUFBQNUZZCFGO-UONOGXRCSA-N 1 3 224.392 2.593 10 0 BFAEHO CC[C@H]1CC[C@H](CCN2CCCC2)[N@@H+](C)C1 ZINC000584652211 358306803 /nfs/dbraw/zinc/30/68/03/358306803.db2.gz QQUFBQNUZZCFGO-UONOGXRCSA-N 1 3 224.392 2.593 10 0 BFAEHO CC[C@H]1CC[C@H](CC[NH+]2CCCC2)N(C)C1 ZINC000584652211 358306808 /nfs/dbraw/zinc/30/68/08/358306808.db2.gz QQUFBQNUZZCFGO-UONOGXRCSA-N 1 3 224.392 2.593 10 0 BFAEHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000089147811 359994338 /nfs/dbraw/zinc/99/43/38/359994338.db2.gz ZNLYQHCRJXKHBZ-BMFZPTHFSA-N 1 3 246.398 2.725 10 0 BFAEHO CC(C)(C)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000093683868 360269501 /nfs/dbraw/zinc/26/95/01/360269501.db2.gz DHOMAVAMWADMAX-CQSZACIVSA-N 1 3 238.419 2.840 10 0 BFAEHO CC(C)(C)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000093683868 360269506 /nfs/dbraw/zinc/26/95/06/360269506.db2.gz DHOMAVAMWADMAX-CQSZACIVSA-N 1 3 238.419 2.840 10 0 BFAEHO CC(C)(C)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683868 360269509 /nfs/dbraw/zinc/26/95/09/360269509.db2.gz DHOMAVAMWADMAX-CQSZACIVSA-N 1 3 238.419 2.840 10 0 BFAEHO CC1CCC(CN[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004112 364692520 /nfs/dbraw/zinc/69/25/20/364692520.db2.gz VVRROPOTMAPNCY-FKZOYECMSA-N 1 3 224.392 2.543 10 0 BFAEHO CCc1ccccc1CN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581536064 367554026 /nfs/dbraw/zinc/55/40/26/367554026.db2.gz GAOTYIYSNAKBQN-UKRRQHHQSA-N 1 3 246.398 2.727 10 0 BFAEHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000386199711 367927457 /nfs/dbraw/zinc/92/74/57/367927457.db2.gz FMHQZWZMWOQWJM-JHJVBQTASA-N 1 3 226.408 2.918 10 0 BFAEHO NC[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625255 368374979 /nfs/dbraw/zinc/37/49/79/368374979.db2.gz AFHIMDPHXZNRAO-JKSUJKDBSA-N 1 3 244.382 2.638 10 0 BFAEHO NC[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625255 368374982 /nfs/dbraw/zinc/37/49/82/368374982.db2.gz AFHIMDPHXZNRAO-JKSUJKDBSA-N 1 3 244.382 2.638 10 0 BFAEHO Cc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631839318 372636413 /nfs/dbraw/zinc/63/64/13/372636413.db2.gz DNPUNODYVKHHBJ-YDHLFZDLSA-N 1 3 232.371 2.583 10 0 BFAEHO Cc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@@H](CN)C2)c1 ZINC000631839318 372636417 /nfs/dbraw/zinc/63/64/17/372636417.db2.gz DNPUNODYVKHHBJ-YDHLFZDLSA-N 1 3 232.371 2.583 10 0 BFAEHO CCCN(C[C@H](C[NH3+])c1ccccc1)C1CC1 ZINC000035731425 169172322 /nfs/dbraw/zinc/17/23/22/169172322.db2.gz OBVLIUDPCISDAY-AWEZNQCLSA-N 1 3 232.371 2.603 10 0 BFAEHO CCCN(C[C@](C)(C[NH3+])c1ccccc1)C1CC1 ZINC000051215865 169173185 /nfs/dbraw/zinc/17/31/85/169173185.db2.gz OHPKSIRQNWMETD-INIZCTEOSA-N 1 3 246.398 2.777 10 0 BFAEHO CCC[N@@H+]1CCC[C@H](CN)[C@H]1c1ccccc1 ZINC000082343942 169198690 /nfs/dbraw/zinc/19/86/90/169198690.db2.gz VDAFWCDMGOBUOX-HUUCEWRRSA-N 1 3 232.371 2.808 10 0 BFAEHO CCC[N@H+]1CCC[C@H](CN)[C@H]1c1ccccc1 ZINC000082343942 169198691 /nfs/dbraw/zinc/19/86/91/169198691.db2.gz VDAFWCDMGOBUOX-HUUCEWRRSA-N 1 3 232.371 2.808 10 0 BFAEHO c1cc(CN2CCCC2)sc1C[NH2+]C1CC1 ZINC000045206498 183340467 /nfs/dbraw/zinc/34/04/67/183340467.db2.gz BSNVWFSZUGPOMH-UHFFFAOYSA-N 1 3 236.384 2.596 10 0 BFAEHO CCC[NH2+]Cc1coc(CN2C[C@H]3CC[C@@H]2C3)c1 ZINC000052543871 169268999 /nfs/dbraw/zinc/26/89/99/169268999.db2.gz GNERBUWHHRNYJT-GXTWGEPZSA-N 1 3 248.370 2.764 10 0 BFAEHO c1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCNC2)cc1 ZINC000096985037 183399755 /nfs/dbraw/zinc/39/97/55/183399755.db2.gz CSSSWROORKPTQD-CVEARBPZSA-N 1 3 244.382 2.651 10 0 BFAEHO c1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCNC2)cc1 ZINC000096985037 183399756 /nfs/dbraw/zinc/39/97/56/183399756.db2.gz CSSSWROORKPTQD-CVEARBPZSA-N 1 3 244.382 2.651 10 0 BFAEHO c1ccc(CN2CCC[C@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096985037 183399757 /nfs/dbraw/zinc/39/97/57/183399757.db2.gz CSSSWROORKPTQD-CVEARBPZSA-N 1 3 244.382 2.651 10 0 BFAEHO CCC[C@H](C)C[C@H](CN)[C@@H]1CCCC[NH2+]1 ZINC000068591090 384001453 /nfs/dbraw/zinc/00/14/53/384001453.db2.gz PLFOILFTHVSCAK-XQQFMLRXSA-N 1 3 212.381 2.530 10 0 BFAEHO Cc1csc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000518513973 383972789 /nfs/dbraw/zinc/97/27/89/383972789.db2.gz AENGBGBWDVJCTL-VXGBXAGGSA-N 1 3 238.400 2.534 10 0 BFAEHO C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCCNC1 ZINC000580827668 384452798 /nfs/dbraw/zinc/45/27/98/384452798.db2.gz BYCGEUQXGZIRFF-GOEBONIOSA-N 1 3 246.398 2.597 10 0 BFAEHO C[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)CN(C)C ZINC000310122340 384852639 /nfs/dbraw/zinc/85/26/39/384852639.db2.gz IIGUKRRLRFGKSX-MCIONIFRSA-N 1 3 240.435 2.989 10 0 BFAEHO C[C@H]1C[C@H]1c1ccc(CNC2CCC([NH3+])CC2)o1 ZINC000051692969 385260165 /nfs/dbraw/zinc/26/01/65/385260165.db2.gz JHODYCOSGAHIPX-DLOFLVKXSA-N 1 3 248.370 2.763 10 0 BFAEHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000309319422 385532077 /nfs/dbraw/zinc/53/20/77/385532077.db2.gz GUMFHLACNOYZBK-FRRDWIJNSA-N 1 3 226.408 2.776 10 0 BFAEHO C[C@@H]([NH2+]CC1CCC(C)CC1)[C@@H]1CCCNC1 ZINC000414865255 385769191 /nfs/dbraw/zinc/76/91/91/385769191.db2.gz ZFSBRRSUBTVNGI-HXSCFSKGSA-N 1 3 238.419 2.790 10 0 BFAEHO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CCCNC1 ZINC000519596636 386498510 /nfs/dbraw/zinc/49/85/10/386498510.db2.gz UBEPZBHOXNXTIL-YIYPIFLZSA-N 1 3 224.392 2.543 10 0 BFAEHO CCCC1(C[NH2+][C@H]2CCCNCC2)CCC1 ZINC000391883759 386691805 /nfs/dbraw/zinc/69/18/05/386691805.db2.gz WENUHRUIXIKYME-ZDUSSCGKSA-N 1 3 224.392 2.689 10 0 BFAEHO C[C@@H](NC1CC(c2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422970197 387818770 /nfs/dbraw/zinc/81/87/70/387818770.db2.gz VTAFTXFBEFAEMI-YUCHNRCRSA-N 1 3 244.382 2.520 10 0 BFAEHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)[C@@H]1C[C@@H]1C ZINC000322211008 388032623 /nfs/dbraw/zinc/03/26/23/388032623.db2.gz UJTPFBMQFJGJJM-XQLPTFJDSA-N 1 3 238.419 2.741 10 0 BFAEHO Cc1cccc([C@H](C)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000160208730 388053533 /nfs/dbraw/zinc/05/35/33/388053533.db2.gz YUBODFUCQAKYAY-NWANDNLSSA-N 1 3 232.371 2.773 10 0 BFAEHO C[C@@H]1CN([C@H]2CCCc3occc32)C[C@@]1(C)C[NH3+] ZINC000311056135 388492046 /nfs/dbraw/zinc/49/20/46/388492046.db2.gz VXUJFIPHMLGAEV-OSAQELSMSA-N 1 3 248.370 2.574 10 0 BFAEHO C[C@@H]1C[N@@H+]([C@H]2CCCc3occc32)C[C@@]1(C)CN ZINC000311056135 388492048 /nfs/dbraw/zinc/49/20/48/388492048.db2.gz VXUJFIPHMLGAEV-OSAQELSMSA-N 1 3 248.370 2.574 10 0 BFAEHO C[C@@H]1C[N@H+]([C@H]2CCCc3occc32)C[C@@]1(C)CN ZINC000311056135 388492052 /nfs/dbraw/zinc/49/20/52/388492052.db2.gz VXUJFIPHMLGAEV-OSAQELSMSA-N 1 3 248.370 2.574 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@H]1CCCNC1 ZINC000516642930 388512901 /nfs/dbraw/zinc/51/29/01/388512901.db2.gz FFBNNZOOHFHRBZ-AVGNSLFASA-N 1 3 224.392 2.543 10 0 BFAEHO C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCCNC1 ZINC000521858960 388634461 /nfs/dbraw/zinc/63/44/61/388634461.db2.gz HNRGZVBGJFKMSQ-GHMZBOCLSA-N 1 3 246.345 2.542 10 0 BFAEHO C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCCNC1 ZINC000521858963 388634792 /nfs/dbraw/zinc/63/47/92/388634792.db2.gz HNRGZVBGJFKMSQ-WDEREUQCSA-N 1 3 246.345 2.542 10 0 BFAEHO CC(C)(C)[NH2+]C[C@@H]1CCCN(c2ccncc2)C1 ZINC000053702686 132363070 /nfs/dbraw/zinc/36/30/70/132363070.db2.gz SBTRTDNBCYKAFH-ZDUSSCGKSA-N 1 3 247.386 2.686 10 0 BFAEHO C(C[NH2+][C@H]1CCCNCC1)CC1CCCC1 ZINC000225016196 134353024 /nfs/dbraw/zinc/35/30/24/134353024.db2.gz AFKSYDBJNSAOFO-AWEZNQCLSA-N 1 3 224.392 2.689 10 0 BFAEHO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@H]1CN ZINC000251159225 135065208 /nfs/dbraw/zinc/06/52/08/135065208.db2.gz ZNLYQHCRJXKHBZ-KBMXLJTQSA-N 1 3 246.398 2.725 10 0 BFAEHO CC[C@H](C)C[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000252751358 135107456 /nfs/dbraw/zinc/10/74/56/135107456.db2.gz ADSZFYIKBJKCOW-AVGNSLFASA-N 1 3 212.381 2.543 10 0 BFAEHO CC(C)C[NH2+][C@@H]1CCN(CC(C)C)[C@H](C)C1 ZINC000073656329 167012441 /nfs/dbraw/zinc/01/24/41/167012441.db2.gz NKTOUSHHUKBFNH-ZIAGYGMSSA-N 1 3 226.408 2.741 10 0 BFAEHO CC(C)C[NH2+]CCCCN(C)Cc1ccncc1 ZINC000052480863 167002990 /nfs/dbraw/zinc/00/29/90/167002990.db2.gz MHEBZWZFZCHGBK-UHFFFAOYSA-N 1 3 249.402 2.539 10 0 BFAEHO CC(C)C[NH2+]CC[C@H](C)N1C[C@H](C)C[C@@H](C)C1 ZINC000052420953 167004210 /nfs/dbraw/zinc/00/42/10/167004210.db2.gz BNUXTBRAKNBPAZ-KFWWJZLASA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)C[NH2+][C@@H]1CCN(CC(C)C)[C@@H](C)C1 ZINC000073656330 167012653 /nfs/dbraw/zinc/01/26/53/167012653.db2.gz NKTOUSHHUKBFNH-UONOGXRCSA-N 1 3 226.408 2.741 10 0 BFAEHO CC(C)C[NH2+][C@H]1CCN(CC(C)C)[C@@H](C)C1 ZINC000073656336 167014727 /nfs/dbraw/zinc/01/47/27/167014727.db2.gz NKTOUSHHUKBFNH-KBPBESRZSA-N 1 3 226.408 2.741 10 0 BFAEHO CC(C)C[NH2+][C@H]1CCN(CC(C)C)C[C@H]1C ZINC000073654331 167015379 /nfs/dbraw/zinc/01/53/79/167015379.db2.gz RPYGRNVBGBBXJN-KGLIPLIRSA-N 1 3 226.408 2.598 10 0 BFAEHO CC(C)NCc1occc1C[N@@H+]1CC[C@@H](C)C1 ZINC000052484436 167124076 /nfs/dbraw/zinc/12/40/76/167124076.db2.gz FBWIUEOETHYBPM-GFCCVEGCSA-N 1 3 236.359 2.619 10 0 BFAEHO CC(C)NCc1occc1C[N@H+]1CC[C@@H](C)C1 ZINC000052484436 167124078 /nfs/dbraw/zinc/12/40/78/167124078.db2.gz FBWIUEOETHYBPM-GFCCVEGCSA-N 1 3 236.359 2.619 10 0 BFAEHO C[C@H](C[N@H+](C)[C@H]1CCCNCC1)C(C)(C)C ZINC000304362911 411361114 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C[C@H](N[C@@H]1CCCc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000400525884 226345660 /nfs/dbraw/zinc/34/56/60/226345660.db2.gz QAKZFCQBGLXXRQ-DUVNUKRYSA-N 1 3 244.382 2.652 10 0 BFAEHO C[C@H](CCc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400697340 226349543 /nfs/dbraw/zinc/34/95/43/226349543.db2.gz JJJKEXMCMACSEV-IJEWVQPXSA-N 1 3 246.398 2.595 10 0 BFAEHO CC1CCC(C[N@@H+]2CC[C@@H](N)C[C@H]2C)CC1 ZINC000251962799 487808942 /nfs/dbraw/zinc/80/89/42/487808942.db2.gz XSAGVPKPGGNXRG-FKZOYECMSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC(C[N@H+]2CC[C@@H](N)C[C@H]2C)CC1 ZINC000251962799 487808947 /nfs/dbraw/zinc/80/89/47/487808947.db2.gz XSAGVPKPGGNXRG-FKZOYECMSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC(CN2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000251962799 487808951 /nfs/dbraw/zinc/80/89/51/487808951.db2.gz XSAGVPKPGGNXRG-FKZOYECMSA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@H](CCN[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500092 533942507 /nfs/dbraw/zinc/94/25/07/533942507.db2.gz BSYUZXFYYZBQET-IJEWVQPXSA-N 1 3 246.398 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358307093 /nfs/dbraw/zinc/30/70/93/358307093.db2.gz QQUFBQNUZZCFGO-KBPBESRZSA-N 1 3 224.392 2.593 10 0 BFAEHO C[N@@H+]1CCC[C@H]2CN(Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258173 /nfs/dbraw/zinc/25/81/73/359258173.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 1 3 244.382 2.603 10 0 BFAEHO C[N@H+]1CCC[C@H]2CN(Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258175 /nfs/dbraw/zinc/25/81/75/359258175.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 1 3 244.382 2.603 10 0 BFAEHO CN1CCC[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258178 /nfs/dbraw/zinc/25/81/78/359258178.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 1 3 244.382 2.603 10 0 BFAEHO CN1CCC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000248178698 359258183 /nfs/dbraw/zinc/25/81/83/359258183.db2.gz WBCFNLZEPUZFPB-JKSUJKDBSA-N 1 3 244.382 2.603 10 0 BFAEHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccccc3)CC[C@H]21 ZINC000248178696 359258239 /nfs/dbraw/zinc/25/82/39/359258239.db2.gz WBCFNLZEPUZFPB-HZPDHXFCSA-N 1 3 244.382 2.603 10 0 BFAEHO C[N@H+]1CCC[C@@H]2CN(Cc3ccccc3)CC[C@H]21 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NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCc2ccccc21 ZINC000040749085 181344334 /nfs/dbraw/zinc/34/43/34/181344334.db2.gz XGAPODSQPJDDHI-NQKGRLOXSA-N 1 3 242.366 2.628 10 0 BFAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2ccccc21 ZINC000040749085 181344337 /nfs/dbraw/zinc/34/43/37/181344337.db2.gz XGAPODSQPJDDHI-NQKGRLOXSA-N 1 3 242.366 2.628 10 0 BFAEHO [NH3+]CCCCN[C@H](c1ccco1)c1ccccc1 ZINC000037715003 181377834 /nfs/dbraw/zinc/37/78/34/181377834.db2.gz SYZCBDICRSSUJG-HNNXBMFYSA-N 1 3 244.338 2.698 10 0 BFAEHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000581661299 367662512 /nfs/dbraw/zinc/66/25/12/367662512.db2.gz KOVZJDLXWJDAPW-CRWXNKLISA-N 1 3 224.392 2.543 10 0 BFAEHO C[C@H]([NH2+]CC1C(C)(C)C1(C)C)[C@H]1CCCNC1 ZINC000567639654 326236874 /nfs/dbraw/zinc/23/68/74/326236874.db2.gz GIMJQMBYOPRKKV-RYUDHWBXSA-N 1 3 238.419 2.646 10 0 BFAEHO C[C@@H]1C[N@@H+]([C@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000631841730 372638321 /nfs/dbraw/zinc/63/83/21/372638321.db2.gz OZCRFCQTTIBOSD-INWMFGNUSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000631841730 372638324 /nfs/dbraw/zinc/63/83/24/372638324.db2.gz OZCRFCQTTIBOSD-INWMFGNUSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000631841731 372638505 /nfs/dbraw/zinc/63/85/05/372638505.db2.gz OZCRFCQTTIBOSD-IVMMDQJWSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)C[C@@H]1CN ZINC000631841731 372638510 /nfs/dbraw/zinc/63/85/10/372638510.db2.gz OZCRFCQTTIBOSD-IVMMDQJWSA-N 1 3 244.382 2.591 10 0 BFAEHO CCC[NH+](CCC)C[C@H]1C[C@H](C)CC[C@@H]1N ZINC000053862562 169148799 /nfs/dbraw/zinc/14/87/99/169148799.db2.gz LJJJZRVAEYFBQZ-MCIONIFRSA-N 1 3 226.408 2.872 10 0 BFAEHO CCC[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000053012506 169264431 /nfs/dbraw/zinc/26/44/31/169264431.db2.gz XZKHUBRRZKDNTC-MRXNPFEDSA-N 1 3 246.398 2.551 10 0 BFAEHO CCC[NH2+]Cc1c2ccccc2oc1CN(C)C ZINC000052422804 169265745 /nfs/dbraw/zinc/26/57/45/169265745.db2.gz CONZVIMGPBBDFT-UHFFFAOYSA-N 1 3 246.354 2.994 10 0 BFAEHO CCCN[C@@H](CC[NH+](C)C)c1ccccc1C ZINC000054016627 169278560 /nfs/dbraw/zinc/27/85/60/169278560.db2.gz JZHYGYWWEVKNOH-HNNXBMFYSA-N 1 3 234.387 2.987 10 0 BFAEHO C[C@H]([NH2+][C@H]1CC[C@@H](N(C)C)C1)C1CCCC1 ZINC000222736305 134334075 /nfs/dbraw/zinc/33/40/75/134334075.db2.gz CDSUHGFSBQAMBX-FPMFFAJLSA-N 1 3 224.392 2.637 10 0 BFAEHO Cc1ccccc1[C@@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361177 384206249 /nfs/dbraw/zinc/20/62/49/384206249.db2.gz NRANVGGGAFHGAX-BFHYXJOUSA-N 1 3 232.371 2.644 10 0 BFAEHO C(CNC[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000398342426 385146777 /nfs/dbraw/zinc/14/67/77/385146777.db2.gz HIHMJPARMBFCNR-CQSZACIVSA-N 1 3 224.392 2.546 10 0 BFAEHO FC1(F)CCC[C@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000335020873 385980434 /nfs/dbraw/zinc/98/04/34/385980434.db2.gz CIJFTFMJVUZWKA-RYUDHWBXSA-N 1 3 246.345 2.544 10 0 BFAEHO FC1(F)CCC[C@@H](C[NH2+][C@@H]2CCCNCC2)C1 ZINC000335020875 385981362 /nfs/dbraw/zinc/98/13/62/385981362.db2.gz CIJFTFMJVUZWKA-VXGBXAGGSA-N 1 3 246.345 2.544 10 0 BFAEHO CC1(C[NH2+]C2CCNCC2)CCCCCC1 ZINC000335275691 386334827 /nfs/dbraw/zinc/33/48/27/386334827.db2.gz CAZUAZZPDFZLGK-UHFFFAOYSA-N 1 3 224.392 2.689 10 0 BFAEHO Cc1ccc(F)c([C@@H](N)CCCC[NH3+])c1Cl ZINC000575439764 387126276 /nfs/dbraw/zinc/12/62/76/387126276.db2.gz YDBSLNBPHMTUPY-JTQLQIEISA-N 1 3 244.741 2.916 10 0 BFAEHO N[C@@H](CCCC[NH3+])c1c(F)ccc(F)c1Cl ZINC000575438500 387129098 /nfs/dbraw/zinc/12/90/98/387129098.db2.gz JNWHEJRNWVNHEO-VIFPVBQESA-N 1 3 248.704 2.747 10 0 BFAEHO C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCNC1 ZINC000516450396 387509823 /nfs/dbraw/zinc/50/98/23/387509823.db2.gz KQFGGHFRCDDPCV-UKRRQHHQSA-N 1 3 236.403 2.855 10 0 BFAEHO CCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400726847 256712511 /nfs/dbraw/zinc/71/25/11/256712511.db2.gz PPHOIMLLAUIIRC-HEHGZKQESA-N 1 3 246.398 2.898 10 0 BFAEHO Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000311162361 388493315 /nfs/dbraw/zinc/49/33/15/388493315.db2.gz PWBJYLMFUSEHPD-IJEWVQPXSA-N 1 3 246.398 2.973 10 0 BFAEHO Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)c1 ZINC000311162361 388493316 /nfs/dbraw/zinc/49/33/16/388493316.db2.gz PWBJYLMFUSEHPD-IJEWVQPXSA-N 1 3 246.398 2.973 10 0 BFAEHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@H]1CC1(C)C ZINC000397797546 388499652 /nfs/dbraw/zinc/49/96/52/388499652.db2.gz MAJNVRFHTABSIL-UPJWGTAASA-N 1 3 226.408 2.598 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCC1(C)C)[C@@H]1CCCNC1 ZINC000516642932 388512199 /nfs/dbraw/zinc/51/21/99/388512199.db2.gz FFBNNZOOHFHRBZ-XQQFMLRXSA-N 1 3 224.392 2.543 10 0 BFAEHO N[C@H](CCCC[NH3+])c1c(F)ccc(Cl)c1F ZINC000575438552 388623922 /nfs/dbraw/zinc/62/39/22/388623922.db2.gz KQOLOGIKRDZZAY-SECBINFHSA-N 1 3 248.704 2.747 10 0 BFAEHO C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCCNC1 ZINC000521858962 388634225 /nfs/dbraw/zinc/63/42/25/388634225.db2.gz HNRGZVBGJFKMSQ-QWRGUYRKSA-N 1 3 246.345 2.542 10 0 BFAEHO CC(C)C[NH2+]C[C@@H]1CCCCN1c1ccncc1 ZINC000053700657 132363087 /nfs/dbraw/zinc/36/30/87/132363087.db2.gz ANEMETBMFAXJOZ-HNNXBMFYSA-N 1 3 247.386 2.686 10 0 BFAEHO Cc1ccccc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000258664633 135102351 /nfs/dbraw/zinc/10/23/51/135102351.db2.gz DZOPCOFKOSRINW-AWEZNQCLSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1cccc(C)c1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261590067 135231001 /nfs/dbraw/zinc/23/10/01/135231001.db2.gz WSFVWVBPUDRQMZ-HNNXBMFYSA-N 1 3 246.398 2.863 10 0 BFAEHO Cc1cccc(C)c1C[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261590067 135231002 /nfs/dbraw/zinc/23/10/02/135231002.db2.gz WSFVWVBPUDRQMZ-HNNXBMFYSA-N 1 3 246.398 2.863 10 0 BFAEHO Cc1cccc(C)c1C[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000261590067 135231003 /nfs/dbraw/zinc/23/10/03/135231003.db2.gz WSFVWVBPUDRQMZ-HNNXBMFYSA-N 1 3 246.398 2.863 10 0 BFAEHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084218033 135468393 /nfs/dbraw/zinc/46/83/93/135468393.db2.gz WDPMWJIGVIMLKT-YNEHKIRRSA-N 1 3 212.381 2.528 10 0 BFAEHO Cc1ccc(CNC(C)(C)CC[NH3+])cc1C ZINC000258803764 322876157 /nfs/dbraw/zinc/87/61/57/322876157.db2.gz KHSPMJSUYBHKFP-UHFFFAOYSA-N 1 3 220.360 2.520 10 0 BFAEHO C[C@@H]([NH3+])CCNCc1csc2ccccc12 ZINC000258844307 322878923 /nfs/dbraw/zinc/87/89/23/322878923.db2.gz WOIPDYLVHKZDKF-SNVBAGLBSA-N 1 3 234.368 2.728 10 0 BFAEHO CC(C)[C@@H](C)N(C)Cc1cc(C[NH3+])ccc1F ZINC000036786641 167369253 /nfs/dbraw/zinc/36/92/53/167369253.db2.gz BVJMXVLBLGWGKE-LLVKDONJSA-N 1 3 238.350 2.761 10 0 BFAEHO CC1CCC([N@@H+]2CCCN[C@H](C)CC2)CC1 ZINC000049665428 168159555 /nfs/dbraw/zinc/15/95/55/168159555.db2.gz WAMPAMMDIIWPJJ-ROKHWSDSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1CCC([N@H+]2CCCN[C@H](C)CC2)CC1 ZINC000049665428 168159558 /nfs/dbraw/zinc/15/95/58/168159558.db2.gz WAMPAMMDIIWPJJ-ROKHWSDSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1CC[NH+](C[C@H]2CCCCC[C@H]2N)CC1 ZINC000053860982 168182241 /nfs/dbraw/zinc/18/22/41/168182241.db2.gz ZLYFDOGJDHERQH-ZIAGYGMSSA-N 1 3 224.392 2.626 10 0 BFAEHO CC1CC[NH+](C[C@H]2CCCCC[C@@H]2N)CC1 ZINC000053860978 168182723 /nfs/dbraw/zinc/18/27/23/168182723.db2.gz ZLYFDOGJDHERQH-KGLIPLIRSA-N 1 3 224.392 2.626 10 0 BFAEHO CC1CCN(Cc2ccc(C[NH3+])cc2F)CC1 ZINC000019265196 168185067 /nfs/dbraw/zinc/18/50/67/168185067.db2.gz UQLAJSYCZOMCLB-UHFFFAOYSA-N 1 3 236.334 2.516 10 0 BFAEHO CC[NH2+]C1CCN(C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000042864254 170108689 /nfs/dbraw/zinc/10/86/89/170108689.db2.gz YSKAKQWYOXXQLK-KBPBESRZSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]CC[C@H](C)N(CC)Cc1ccccc1 ZINC000052443831 170117128 /nfs/dbraw/zinc/11/71/28/170117128.db2.gz FYXBIKDXMRGDPO-AWEZNQCLSA-N 1 3 234.387 2.897 10 0 BFAEHO CCNCc1occc1C[N@H+](CC)CC(C)C ZINC000052449651 170132933 /nfs/dbraw/zinc/13/29/33/170132933.db2.gz ZUUOFIOVEKCAAV-UHFFFAOYSA-N 1 3 238.375 2.867 10 0 BFAEHO CCNCc1occc1C[N@@H+](CC)CC(C)C ZINC000052449651 170132935 /nfs/dbraw/zinc/13/29/35/170132935.db2.gz ZUUOFIOVEKCAAV-UHFFFAOYSA-N 1 3 238.375 2.867 10 0 BFAEHO CC[NH2+][C@@H]1CCN(CCC2CCCC2)C[C@@H]1C ZINC000049713037 170151253 /nfs/dbraw/zinc/15/12/53/170151253.db2.gz BMYWZCWOHXONCX-DZGCQCFKSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@H]1CC[N@@H+](C(C)(C)CC)CCCN1 ZINC000049664976 171010049 /nfs/dbraw/zinc/01/00/49/171010049.db2.gz GNFQJSCRROUCCL-GFCCVEGCSA-N 1 3 212.381 2.639 10 0 BFAEHO CC[C@@H]1CC[N@H+](C(C)(C)CC)CCCN1 ZINC000049664976 171010050 /nfs/dbraw/zinc/01/00/50/171010050.db2.gz GNFQJSCRROUCCL-GFCCVEGCSA-N 1 3 212.381 2.639 10 0 BFAEHO CC[C@@H]1CC[N@H+](CCCc2ccccc2)CCN1 ZINC000049662209 171011908 /nfs/dbraw/zinc/01/19/08/171011908.db2.gz WFLOWVKTILMXBD-MRXNPFEDSA-N 1 3 246.398 2.693 10 0 BFAEHO CC[C@@H]1CC[N@@H+](CCCc2ccccc2)CCN1 ZINC000049662209 171011910 /nfs/dbraw/zinc/01/19/10/171011910.db2.gz WFLOWVKTILMXBD-MRXNPFEDSA-N 1 3 246.398 2.693 10 0 BFAEHO CC[C@@H]1CC[C@@H](N)[C@H](C[N@H+](C)CC2CCC2)C1 ZINC000061484556 171040387 /nfs/dbraw/zinc/04/03/87/171040387.db2.gz PKYQSFBRIZGQBO-VHDGCEQUSA-N 1 3 238.419 2.872 10 0 BFAEHO CC[C@@H]1CC[C@@H](N)[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC000061484556 171040389 /nfs/dbraw/zinc/04/03/89/171040389.db2.gz PKYQSFBRIZGQBO-VHDGCEQUSA-N 1 3 238.419 2.872 10 0 BFAEHO CCn1ccnc1Nc1ccccc1[C@@H](C)[NH3+] ZINC000104314096 172227683 /nfs/dbraw/zinc/22/76/83/172227683.db2.gz JRQBSKBBSDJHNS-SNVBAGLBSA-N 1 3 230.315 2.666 10 0 BFAEHO CNCC1(C[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000051208786 173337528 /nfs/dbraw/zinc/33/75/28/173337528.db2.gz HPJLEFFIOZNVSL-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCC1(C[N@H+]2CCCC[C@@H]2C)CCCC1 ZINC000051208786 173337529 /nfs/dbraw/zinc/33/75/29/173337529.db2.gz HPJLEFFIOZNVSL-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[NH2+]CC1(CN2CCCC[C@@H]2C)CCCC1 ZINC000051208786 173337530 /nfs/dbraw/zinc/33/75/30/173337530.db2.gz HPJLEFFIOZNVSL-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCC1(C[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205711 173337693 /nfs/dbraw/zinc/33/76/93/173337693.db2.gz FYYXVEBYUNMCQD-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCC1(C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC000051205711 173337695 /nfs/dbraw/zinc/33/76/95/173337695.db2.gz FYYXVEBYUNMCQD-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCc1ccoc1C[N@H+](C)[C@H](C)CC(C)C ZINC000052571830 173391450 /nfs/dbraw/zinc/39/14/50/173391450.db2.gz OQNUOCZCKZEQKV-GFCCVEGCSA-N 1 3 238.375 2.865 10 0 BFAEHO CNCc1ccoc1C[N@@H+](C)[C@H](C)CC(C)C ZINC000052571830 173391451 /nfs/dbraw/zinc/39/14/51/173391451.db2.gz OQNUOCZCKZEQKV-GFCCVEGCSA-N 1 3 238.375 2.865 10 0 BFAEHO CNCc1coc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000052373394 173392836 /nfs/dbraw/zinc/39/28/36/173392836.db2.gz IJCASFJPIXDDGG-VXGBXAGGSA-N 1 3 236.359 2.619 10 0 BFAEHO CNCc1coc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000052373394 173392837 /nfs/dbraw/zinc/39/28/37/173392837.db2.gz IJCASFJPIXDDGG-VXGBXAGGSA-N 1 3 236.359 2.619 10 0 BFAEHO CNCc1coc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000052373395 173393292 /nfs/dbraw/zinc/39/32/92/173393292.db2.gz IJCASFJPIXDDGG-NWDGAFQWSA-N 1 3 236.359 2.619 10 0 BFAEHO CNCc1coc(C[N@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000052373395 173393294 /nfs/dbraw/zinc/39/32/94/173393294.db2.gz IJCASFJPIXDDGG-NWDGAFQWSA-N 1 3 236.359 2.619 10 0 BFAEHO C[C@@H](N[C@H](C)C1CC[NH+](C)CC1)c1ccco1 ZINC000035738483 175919797 /nfs/dbraw/zinc/91/97/97/175919797.db2.gz RNBZEZCQOOTZKV-VXGBXAGGSA-N 1 3 236.359 2.661 10 0 BFAEHO C[C@@H]1CCCCN1Cc1ccc(F)cc1C[NH3+] ZINC000071249712 176074193 /nfs/dbraw/zinc/07/41/93/176074193.db2.gz BUGAYSCQMNAACJ-LLVKDONJSA-N 1 3 236.334 2.659 10 0 BFAEHO C[C@@H]1CCN(CCc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000049664774 176169559 /nfs/dbraw/zinc/16/95/59/176169559.db2.gz UQNDWBQOBDKTOU-HUUCEWRRSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@@H]1CC[NH+](CCc2ccccc2)CC[C@@H](C)N1 ZINC000049664774 176169561 /nfs/dbraw/zinc/16/95/61/176169561.db2.gz UQNDWBQOBDKTOU-HUUCEWRRSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000037116210 176208670 /nfs/dbraw/zinc/20/86/70/176208670.db2.gz SZOWQRCSACAHRQ-BPLDGKMQSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000037116210 176208671 /nfs/dbraw/zinc/20/86/71/176208671.db2.gz SZOWQRCSACAHRQ-BPLDGKMQSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@@H]1C[N@@H+](C(C)(C)CC(C)(C)C)CC[C@@H]1N ZINC000043435724 176265895 /nfs/dbraw/zinc/26/58/95/176265895.db2.gz ADGOZHBCRBUDEY-NEPJUHHUSA-N 1 3 226.408 2.870 10 0 BFAEHO C[C@@H]1C[N@H+](C(C)(C)CC(C)(C)C)CC[C@@H]1N ZINC000043435724 176265896 /nfs/dbraw/zinc/26/58/96/176265896.db2.gz ADGOZHBCRBUDEY-NEPJUHHUSA-N 1 3 226.408 2.870 10 0 BFAEHO C[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)CN(C)C ZINC000310122341 176375996 /nfs/dbraw/zinc/37/59/96/176375996.db2.gz IIGUKRRLRFGKSX-MGPQQGTHSA-N 1 3 240.435 2.989 10 0 BFAEHO C[C@H](CN1CCC2(CCCCC2)CC1)C(N)=[NH2+] ZINC000061820315 176664902 /nfs/dbraw/zinc/66/49/02/176664902.db2.gz FQWAKRPFTRIEBB-GFCCVEGCSA-N 1 3 237.391 2.605 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000053861446 177077560 /nfs/dbraw/zinc/07/75/60/177077560.db2.gz MMNJNWUUQLPXFZ-RFGFWPKPSA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000053861446 177077563 /nfs/dbraw/zinc/07/75/63/177077563.db2.gz MMNJNWUUQLPXFZ-RFGFWPKPSA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@H]1CCCN(Cc2ccc(F)cc2C[NH3+])C1 ZINC000071249785 177101277 /nfs/dbraw/zinc/10/12/77/177101277.db2.gz IPMLGEPMODIPTO-NSHDSACASA-N 1 3 236.334 2.516 10 0 BFAEHO C[C@H]1CCC[C@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000050910667 177143693 /nfs/dbraw/zinc/14/36/93/177143693.db2.gz GKJFGKSYIVOKJJ-BBRMVZONSA-N 1 3 244.382 2.910 10 0 BFAEHO C[C@@H]1CC[N@H+](C(C2CC2)C2CC2)CC[C@H](C)N1 ZINC000049668076 177157694 /nfs/dbraw/zinc/15/76/94/177157694.db2.gz VRCDSKMPWBGALP-TXEJJXNPSA-N 1 3 236.403 2.637 10 0 BFAEHO C[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)CC[C@H](C)N1 ZINC000049668076 177157695 /nfs/dbraw/zinc/15/76/95/177157695.db2.gz VRCDSKMPWBGALP-TXEJJXNPSA-N 1 3 236.403 2.637 10 0 BFAEHO C[C@H]1CC[C@H](N)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000034781420 177204252 /nfs/dbraw/zinc/20/42/52/177204252.db2.gz LTPYDUURZCTDIC-VBNZEHGJSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@H]1CC[C@H](N)[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000034781420 177204254 /nfs/dbraw/zinc/20/42/54/177204254.db2.gz LTPYDUURZCTDIC-VBNZEHGJSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1CCCCCC1 ZINC000049710533 177326484 /nfs/dbraw/zinc/32/64/84/177326484.db2.gz FJLRFTXDJJRATC-RYUDHWBXSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1CCCCCC1 ZINC000049710533 177326485 /nfs/dbraw/zinc/32/64/85/177326485.db2.gz FJLRFTXDJJRATC-RYUDHWBXSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@H]1C[C@H](C)C[NH+](CC(C)(C)CNC2CC2)C1 ZINC000051206926 177358153 /nfs/dbraw/zinc/35/81/53/177358153.db2.gz QPWCQXGAIUHYMJ-STQMWFEESA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@H]1C[C@H](C)CN(CC(C)(C)C[NH2+]C2CC2)C1 ZINC000051206926 177358155 /nfs/dbraw/zinc/35/81/55/177358155.db2.gz QPWCQXGAIUHYMJ-STQMWFEESA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@H]1C[C@H]([NH+]2CCC(N)CC2)CC(C)(C)C1 ZINC000026515073 177365092 /nfs/dbraw/zinc/36/50/92/177365092.db2.gz HOBDBQWSECHTPC-AAEUAGOBSA-N 1 3 224.392 2.624 10 0 BFAEHO Cc1cccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400362453 226341686 /nfs/dbraw/zinc/34/16/86/226341686.db2.gz OAMWURFYXLXZOW-GUTXKFCHSA-N 1 3 232.371 2.644 10 0 BFAEHO Cc1ccccc1C[C@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400758934 226351609 /nfs/dbraw/zinc/35/16/09/226351609.db2.gz XSHXOVHESPVLDU-OFQRWUPVSA-N 1 3 246.398 2.514 10 0 BFAEHO CCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CCC1 ZINC000570077144 323049490 /nfs/dbraw/zinc/04/94/90/323049490.db2.gz FBMXLLKMNWPSAA-QWHCGFSZSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)[C@H]1CCCNC1 ZINC000530217501 324533597 /nfs/dbraw/zinc/53/35/97/324533597.db2.gz BSQCNNAUEJJUPB-ZNMIVQPWSA-N 1 3 236.403 2.711 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@@H]1CCCNC1 ZINC000568988894 326385006 /nfs/dbraw/zinc/38/50/06/326385006.db2.gz ZBBRYUMDAJSCOQ-QJPTWQEYSA-N 1 3 246.345 2.542 10 0 BFAEHO C[C@H](N[C@@H]1CCCC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC000568988894 326385008 /nfs/dbraw/zinc/38/50/08/326385008.db2.gz ZBBRYUMDAJSCOQ-QJPTWQEYSA-N 1 3 246.345 2.542 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757127756 582503409 /nfs/dbraw/zinc/50/34/09/582503409.db2.gz HVQYEKMDVJKYES-KGLIPLIRSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757127756 582503410 /nfs/dbraw/zinc/50/34/10/582503410.db2.gz HVQYEKMDVJKYES-KGLIPLIRSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCN1CC[C@@H]([NH2+]C(C)C)C[C@H]1C ZINC000252475372 520596734 /nfs/dbraw/zinc/59/67/34/520596734.db2.gz ZDXRLQUXCNOFTA-CHWSQXEVSA-N 1 3 212.381 2.637 10 0 BFAEHO CCCCN1CC[C@H]([NH2+]CCC)C[C@H]1C ZINC000249884471 520597357 /nfs/dbraw/zinc/59/73/57/520597357.db2.gz PGZZLYMYRMVGRO-OLZOCXBDSA-N 1 3 212.381 2.639 10 0 BFAEHO C[C@H]1CC[C@@]2(CCC[N@@H+]2CCC2CCC2)CN1 ZINC000757125658 582500077 /nfs/dbraw/zinc/50/00/77/582500077.db2.gz FHBWYPUBNAREIU-ZFWWWQNUSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@H]1CC[C@@]2(CCC[N@H+]2CCC2CCC2)CN1 ZINC000757125658 582500078 /nfs/dbraw/zinc/50/00/78/582500078.db2.gz FHBWYPUBNAREIU-ZFWWWQNUSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@@H]1C[C@H](N)C[NH2+][C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208120 586437987 /nfs/dbraw/zinc/43/79/87/586437987.db2.gz CFTFRUVPICSANY-BYCMXARLSA-N 1 3 244.382 2.736 10 0 BFAEHO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2cccc3cc[nH]c32)N1 ZINC000757219262 586442201 /nfs/dbraw/zinc/44/22/01/586442201.db2.gz WHJBCEFAIRGYGD-GMXABZIVSA-N 1 3 243.354 2.556 10 0 BFAEHO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084219052 643550019 /nfs/dbraw/zinc/55/00/19/643550019.db2.gz RDSPOQIQFFAZKA-XQQFMLRXSA-N 1 3 212.381 2.672 10 0 BFAEHO CC[C@@H](C1CCC1)[NH+]1CCC(N)(CC)CC1 ZINC000714754458 712497845 /nfs/dbraw/zinc/49/78/45/712497845.db2.gz UPZAZFBDOLLYJL-ZDUSSCGKSA-N 1 3 224.392 2.768 10 0 BFAEHO CC(C)C(C[NH2+][C@H](C)[C@H]1CCCNC1)C(C)C ZINC000576338140 365569541 /nfs/dbraw/zinc/56/95/41/365569541.db2.gz ROXIWVSUAWALEN-KGLIPLIRSA-N 1 3 240.435 2.892 10 0 BFAEHO C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCCNC1 ZINC000576528152 365619519 /nfs/dbraw/zinc/61/95/19/365619519.db2.gz DTRUQMREIWDPFO-HIFRSBDPSA-N 1 3 238.419 2.935 10 0 BFAEHO CCC(CC)C[C@@H](CN)[C@@H]1CCCC[NH2+]1 ZINC000068591033 168367366 /nfs/dbraw/zinc/36/73/66/168367366.db2.gz ZTIWCHDIIPTXKU-STQMWFEESA-N 1 3 212.381 2.530 10 0 BFAEHO CCCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CCC1 ZINC000584047296 343306309 /nfs/dbraw/zinc/30/63/09/343306309.db2.gz GZVZSTUFPSXRHY-KBPBESRZSA-N 1 3 238.419 2.935 10 0 BFAEHO CC[C@H](CCN)[N@@H+]1CCCc2ccccc2C1 ZINC000062944372 187274085 /nfs/dbraw/zinc/27/40/85/187274085.db2.gz YIJNMBSWSMHNIL-OAHLLOKOSA-N 1 3 232.371 2.562 10 0 BFAEHO CC[C@H](CCN)[N@H+]1CCCc2ccccc2C1 ZINC000062944372 187274087 /nfs/dbraw/zinc/27/40/87/187274087.db2.gz YIJNMBSWSMHNIL-OAHLLOKOSA-N 1 3 232.371 2.562 10 0 BFAEHO C([NH2+][C@@H]1CCCNCC1)[C@@H]1CC2CCC1CC2 ZINC000400021661 344228631 /nfs/dbraw/zinc/22/86/31/344228631.db2.gz NCZQFPUMVBXXCY-PFSRBDOWSA-N 1 3 236.403 2.544 10 0 BFAEHO CC[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CCN1 ZINC000224401042 344915535 /nfs/dbraw/zinc/91/55/35/344915535.db2.gz DCKBAZAOUYNTDR-ZFWWWQNUSA-N 1 3 232.371 2.649 10 0 BFAEHO CC[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CCN1 ZINC000224401042 344915536 /nfs/dbraw/zinc/91/55/36/344915536.db2.gz DCKBAZAOUYNTDR-ZFWWWQNUSA-N 1 3 232.371 2.649 10 0 BFAEHO CC1(C)CCC[C@@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000335637378 345432474 /nfs/dbraw/zinc/43/24/74/345432474.db2.gz ZYYOPVLILCRTTI-CHWSQXEVSA-N 1 3 224.392 2.544 10 0 BFAEHO Cc1cccc(CN(C)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000053859844 179065313 /nfs/dbraw/zinc/06/53/13/179065313.db2.gz KEZCQOLMLFWKRB-HOTGVXAUSA-N 1 3 246.398 2.944 10 0 BFAEHO C[C@@H]([NH2+]CC1(C)CCCC1)[C@@H]1CCCNC1 ZINC000580181416 346616780 /nfs/dbraw/zinc/61/67/80/346616780.db2.gz RIIJJNXZRCIWNZ-CHWSQXEVSA-N 1 3 224.392 2.544 10 0 BFAEHO C[N@H+](Cc1ccccc1)[C@@H]1CCCCC[C@H]1N ZINC000250243691 362797452 /nfs/dbraw/zinc/79/74/52/362797452.db2.gz SANRUCVRFWGRNN-HUUCEWRRSA-N 1 3 232.371 2.778 10 0 BFAEHO C[N@@H+](Cc1ccccc1)[C@@H]1CCCCC[C@H]1N ZINC000250243691 362797458 /nfs/dbraw/zinc/79/74/58/362797458.db2.gz SANRUCVRFWGRNN-HUUCEWRRSA-N 1 3 232.371 2.778 10 0 BFAEHO Cc1ccccc1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC000042427388 179277211 /nfs/dbraw/zinc/27/72/11/179277211.db2.gz QUOVWIVIWQLLMZ-KBPBESRZSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@H+]1C[C@H](CN)CC[C@@H]1C ZINC000042427388 179277214 /nfs/dbraw/zinc/27/72/14/179277214.db2.gz QUOVWIVIWQLLMZ-KBPBESRZSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@@H+]1C[C@H](CN)CC[C@@H]1C ZINC000042427388 179277215 /nfs/dbraw/zinc/27/72/15/179277215.db2.gz QUOVWIVIWQLLMZ-KBPBESRZSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1[C@@H](C)N1CCC[NH2+]CCC1 ZINC000049667727 179317121 /nfs/dbraw/zinc/31/71/21/179317121.db2.gz LPUMJZXDRIZKLV-CQSZACIVSA-N 1 3 232.371 2.741 10 0 BFAEHO Cc1ccccc1[C@@H](C)[NH+]1CCCNCCC1 ZINC000049667727 179317124 /nfs/dbraw/zinc/31/71/24/179317124.db2.gz LPUMJZXDRIZKLV-CQSZACIVSA-N 1 3 232.371 2.741 10 0 BFAEHO CC(C)(N)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000083332007 188270291 /nfs/dbraw/zinc/27/02/91/188270291.db2.gz VSUNLWHIVHLOIO-AWEZNQCLSA-N 1 3 232.371 2.778 10 0 BFAEHO CC(C)(N)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000083332007 188270293 /nfs/dbraw/zinc/27/02/93/188270293.db2.gz VSUNLWHIVHLOIO-AWEZNQCLSA-N 1 3 232.371 2.778 10 0 BFAEHO C[C@H](NC1CC(c2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000422970191 192529819 /nfs/dbraw/zinc/52/98/19/192529819.db2.gz VTAFTXFBEFAEMI-IQAUEXFUSA-N 1 3 244.382 2.520 10 0 BFAEHO CCC(C)(C)CCN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261608937 535350509 /nfs/dbraw/zinc/35/05/09/535350509.db2.gz BPOYKZWLESOYHI-LBPRGKRZSA-N 1 3 226.408 2.872 10 0 BFAEHO Cc1cnccc1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000192714868 357848897 /nfs/dbraw/zinc/84/88/97/357848897.db2.gz FGGQXICCEYIIRY-CQSZACIVSA-N 1 3 247.386 2.922 10 0 BFAEHO Cc1cnccc1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000192714868 357848900 /nfs/dbraw/zinc/84/89/00/357848900.db2.gz FGGQXICCEYIIRY-CQSZACIVSA-N 1 3 247.386 2.922 10 0 BFAEHO C[C@H](CCc1ccccc1)N[C@H]1CCC[NH2+][C@@H]1C ZINC000396626273 358450394 /nfs/dbraw/zinc/45/03/94/358450394.db2.gz ITNPJGFZEDAXCL-FMKPAKJESA-N 1 3 246.398 2.738 10 0 BFAEHO Cc1cc(NC[C@@H]([NH3+])C(C)C)c2ccccc2n1 ZINC000070463579 359056447 /nfs/dbraw/zinc/05/64/47/359056447.db2.gz YZWBSKHEFMAIOR-CYBMUJFWSA-N 1 3 243.354 2.938 10 0 BFAEHO CCCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000578497630 366580467 /nfs/dbraw/zinc/58/04/67/366580467.db2.gz PRFMLRCJXMKYIP-OLZOCXBDSA-N 1 3 224.392 2.544 10 0 BFAEHO CC1CCC(CN[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000399004115 364692907 /nfs/dbraw/zinc/69/29/07/364692907.db2.gz VVRROPOTMAPNCY-HHTDUIENSA-N 1 3 224.392 2.543 10 0 BFAEHO CC(C)[C@@H](C)[N@H+](CCCN)Cc1ccccc1 ZINC000230004291 371632814 /nfs/dbraw/zinc/63/28/14/371632814.db2.gz NROWYBPWIHSGFJ-CQSZACIVSA-N 1 3 234.387 2.882 10 0 BFAEHO CC(C)[C@@H](C)[N@@H+](CCCN)Cc1ccccc1 ZINC000230004291 371632819 /nfs/dbraw/zinc/63/28/19/371632819.db2.gz NROWYBPWIHSGFJ-CQSZACIVSA-N 1 3 234.387 2.882 10 0 BFAEHO CC(C)[C@@H](C)N(CCC[NH3+])Cc1ccccc1 ZINC000230004291 371632822 /nfs/dbraw/zinc/63/28/22/371632822.db2.gz NROWYBPWIHSGFJ-CQSZACIVSA-N 1 3 234.387 2.882 10 0 BFAEHO CCC[N@H+](CC1CC1)[C@@H]1C[C@H](C)CC[C@@H]1CN ZINC000035452117 169137387 /nfs/dbraw/zinc/13/73/87/169137387.db2.gz WAKYUZDGGNXHKM-BPLDGKMQSA-N 1 3 238.419 2.872 10 0 BFAEHO CCC[N@@H+](CC1CC1)[C@@H]1C[C@H](C)CC[C@@H]1CN ZINC000035452117 169137389 /nfs/dbraw/zinc/13/73/89/169137389.db2.gz WAKYUZDGGNXHKM-BPLDGKMQSA-N 1 3 238.419 2.872 10 0 BFAEHO CCCN(Cc1ccc(C[NH3+])cc1F)C(C)C ZINC000037095666 169174372 /nfs/dbraw/zinc/17/43/72/169174372.db2.gz JQKFXFFPRDDEMF-UHFFFAOYSA-N 1 3 238.350 2.905 10 0 BFAEHO CCCN(CCC[NH3+])Cc1ccc(C)c(C)c1 ZINC000049668657 169155804 /nfs/dbraw/zinc/15/58/04/169155804.db2.gz CSVGQEGPTATMJE-UHFFFAOYSA-N 1 3 234.387 2.864 10 0 BFAEHO CCC[N@H+](CCCN)Cc1ccc(C)c(C)c1 ZINC000049668657 169155805 /nfs/dbraw/zinc/15/58/05/169155805.db2.gz CSVGQEGPTATMJE-UHFFFAOYSA-N 1 3 234.387 2.864 10 0 BFAEHO CCC[N@@H+](CCCN)Cc1ccc(C)c(C)c1 ZINC000049668657 169155807 /nfs/dbraw/zinc/15/58/07/169155807.db2.gz CSVGQEGPTATMJE-UHFFFAOYSA-N 1 3 234.387 2.864 10 0 BFAEHO CCC[NH2+]Cc1coc(CN(C)CC(C)C)c1 ZINC000052452722 169268969 /nfs/dbraw/zinc/26/89/69/169268969.db2.gz LRTRWUHOCFGLDV-UHFFFAOYSA-N 1 3 238.375 2.867 10 0 BFAEHO CCC[NH2+][C@@H](C)[C@H]1CCCN(CC(C)C)C1 ZINC000082646686 169275630 /nfs/dbraw/zinc/27/56/30/169275630.db2.gz RDANJHDVDQPYMF-KBPBESRZSA-N 1 3 226.408 2.743 10 0 BFAEHO Cc1ccccc1[C@@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361188 384206168 /nfs/dbraw/zinc/20/61/68/384206168.db2.gz NRANVGGGAFHGAX-MGPQQGTHSA-N 1 3 232.371 2.644 10 0 BFAEHO C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCCNC1 ZINC000580827670 384452326 /nfs/dbraw/zinc/45/23/26/384452326.db2.gz BYCGEUQXGZIRFF-ZBFHGGJFSA-N 1 3 246.398 2.597 10 0 BFAEHO CC(C)(C[NH2+]C1CCNCC1)C1CCCC1 ZINC000259262574 384960066 /nfs/dbraw/zinc/96/00/66/384960066.db2.gz ZHJBENPMOHXRPL-UHFFFAOYSA-N 1 3 224.392 2.544 10 0 BFAEHO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)C(C)(C)C ZINC000336770242 386010617 /nfs/dbraw/zinc/01/06/17/386010617.db2.gz VLHPIZVLMXEMFG-NWDGAFQWSA-N 1 3 214.397 2.598 10 0 BFAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CN)CC(C)(C)C1 ZINC000414790943 386544886 /nfs/dbraw/zinc/54/48/86/386544886.db2.gz AUYAQJDTMNOARF-MQYQWHSLSA-N 1 3 238.419 2.918 10 0 BFAEHO CC(C)CC1(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000391798272 386658556 /nfs/dbraw/zinc/65/85/56/386658556.db2.gz DZRIEGSKIRSQKZ-ZDUSSCGKSA-N 1 3 224.392 2.544 10 0 BFAEHO N[C@@H](CCCC[NH3+])c1c(F)ccc(Cl)c1F ZINC000575438538 387131729 /nfs/dbraw/zinc/13/17/29/387131729.db2.gz KQOLOGIKRDZZAY-VIFPVBQESA-N 1 3 248.704 2.747 10 0 BFAEHO C[C@@H](NC1CC(c2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422970196 387819374 /nfs/dbraw/zinc/81/93/74/387819374.db2.gz VTAFTXFBEFAEMI-WHPGWMBPSA-N 1 3 244.382 2.520 10 0 BFAEHO Cc1cccc([C@H](C)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000160208852 388052822 /nfs/dbraw/zinc/05/28/22/388052822.db2.gz YUBODFUCQAKYAY-CFVMTHIKSA-N 1 3 232.371 2.773 10 0 BFAEHO Cc1ccc2nccc(N[C@H]3CCC[NH2+]C3)c2c1 ZINC000073738647 388461935 /nfs/dbraw/zinc/46/19/35/388461935.db2.gz MSYZKRYEDMCIHZ-LBPRGKRZSA-N 1 3 241.338 2.707 10 0 BFAEHO C([NH2+]C1CCNCC1)C(C1CCC1)C1CCC1 ZINC000530210985 388627965 /nfs/dbraw/zinc/62/79/65/388627965.db2.gz KVMHAWIHMQIBCP-UHFFFAOYSA-N 1 3 236.403 2.544 10 0 BFAEHO CC(C)(C)[NH2+]C[C@H]1CCCN(c2ccncc2)C1 ZINC000053702688 132363248 /nfs/dbraw/zinc/36/32/48/132363248.db2.gz SBTRTDNBCYKAFH-CYBMUJFWSA-N 1 3 247.386 2.686 10 0 BFAEHO CCCC[N@@H+]1CC[C@H](N2CCCCC2)[C@@H](C)C1 ZINC000226858781 134370301 /nfs/dbraw/zinc/37/03/01/134370301.db2.gz SPNCBOUPTILNOT-GJZGRUSLSA-N 1 3 238.419 2.983 10 0 BFAEHO CCCC[N@H+]1CC[C@H](N2CCCCC2)[C@@H](C)C1 ZINC000226858781 134370302 /nfs/dbraw/zinc/37/03/02/134370302.db2.gz SPNCBOUPTILNOT-GJZGRUSLSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000252512905 135091843 /nfs/dbraw/zinc/09/18/43/135091843.db2.gz DLHNMUKHODWIRF-BARDWOONSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](c1ccccc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259354015 135142677 /nfs/dbraw/zinc/14/26/77/135142677.db2.gz UAHOWZBUNOIXKT-OCCSQVGLSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000259354015 135142678 /nfs/dbraw/zinc/14/26/78/135142678.db2.gz UAHOWZBUNOIXKT-OCCSQVGLSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000259354015 135142679 /nfs/dbraw/zinc/14/26/79/135142679.db2.gz UAHOWZBUNOIXKT-OCCSQVGLSA-N 1 3 232.371 2.807 10 0 BFAEHO CC(C)NCc1occc1C[N@@H+]1CC[C@H](C)C1 ZINC000052484437 167123573 /nfs/dbraw/zinc/12/35/73/167123573.db2.gz FBWIUEOETHYBPM-LBPRGKRZSA-N 1 3 236.359 2.619 10 0 BFAEHO CC(C)NCc1occc1C[N@H+]1CC[C@H](C)C1 ZINC000052484437 167123578 /nfs/dbraw/zinc/12/35/78/167123578.db2.gz FBWIUEOETHYBPM-LBPRGKRZSA-N 1 3 236.359 2.619 10 0 BFAEHO CCC(C)(C)[NH+]1CC[C@@H](C)N[C@H](C)CC1 ZINC000049664992 168288457 /nfs/dbraw/zinc/28/84/57/168288457.db2.gz JSKUMFPFCSZXFU-VXGBXAGGSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[NH2+]CC1(CN(C)C[C@@H]2C[C@@H]2C)CCCC1 ZINC000104410728 170110187 /nfs/dbraw/zinc/11/01/87/170110187.db2.gz LORUVOLBWFUQOC-KBPBESRZSA-N 1 3 238.419 2.744 10 0 BFAEHO CCNC[C@@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034217 170120052 /nfs/dbraw/zinc/12/00/52/170120052.db2.gz DIKRLGBJPANRPI-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNC[C@@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000053034217 170120054 /nfs/dbraw/zinc/12/00/54/170120054.db2.gz DIKRLGBJPANRPI-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNCc1ccoc1C[NH+]1CCCCCC1 ZINC000052381843 170129573 /nfs/dbraw/zinc/12/95/73/170129573.db2.gz FOJIFRHXXKBQGL-UHFFFAOYSA-N 1 3 236.359 2.765 10 0 BFAEHO CCNCc1coc(C[N@H+](CC)CC(C)C)c1 ZINC000052449780 170130093 /nfs/dbraw/zinc/13/00/93/170130093.db2.gz BRGPQROGJBJQES-UHFFFAOYSA-N 1 3 238.375 2.867 10 0 BFAEHO CCNCc1coc(C[N@@H+](CC)CC(C)C)c1 ZINC000052449780 170130095 /nfs/dbraw/zinc/13/00/95/170130095.db2.gz BRGPQROGJBJQES-UHFFFAOYSA-N 1 3 238.375 2.867 10 0 BFAEHO CC[NH2+][C@@H]1CCCC[C@@H]1CN1CCCCC1 ZINC000060743291 170150202 /nfs/dbraw/zinc/15/02/02/170150202.db2.gz ARWVMIXJKNEVSG-ZIAGYGMSSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[NH2+][C@@H]1CCN(C2CCCCC2)C[C@@H]1C ZINC000049709171 170151955 /nfs/dbraw/zinc/15/19/55/170151955.db2.gz CQFBLJSZURUHLC-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1C ZINC000049709171 170151956 /nfs/dbraw/zinc/15/19/56/170151956.db2.gz CQFBLJSZURUHLC-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@@H]1CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000049709171 170151958 /nfs/dbraw/zinc/15/19/58/170151958.db2.gz CQFBLJSZURUHLC-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[NH2+][C@H](C)CCCN1Cc2ccccc2C1 ZINC000050910826 170157120 /nfs/dbraw/zinc/15/71/20/170157120.db2.gz WAPSZLZZSXADAR-CYBMUJFWSA-N 1 3 232.371 2.780 10 0 BFAEHO CC[NH2+][C@H]1CCN(C2CCC(C)CC2)C[C@@H]1C ZINC000049709740 170166464 /nfs/dbraw/zinc/16/64/64/170166464.db2.gz CWWWIQYQLUGTSW-SHWKFHJASA-N 1 3 238.419 2.885 10 0 BFAEHO CCN[C@H]1CC[N@@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709740 170166466 /nfs/dbraw/zinc/16/64/66/170166466.db2.gz CWWWIQYQLUGTSW-SHWKFHJASA-N 1 3 238.419 2.885 10 0 BFAEHO CCN[C@H]1CC[N@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709740 170166467 /nfs/dbraw/zinc/16/64/67/170166467.db2.gz CWWWIQYQLUGTSW-SHWKFHJASA-N 1 3 238.419 2.885 10 0 BFAEHO CC[NH2+][C@H]1CCN(C2CCCCC2)C[C@@H]1C ZINC000049709173 170166542 /nfs/dbraw/zinc/16/65/42/170166542.db2.gz CQFBLJSZURUHLC-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@H]1CC[N@@H+](C2CCCCC2)C[C@@H]1C ZINC000049709173 170166544 /nfs/dbraw/zinc/16/65/44/170166544.db2.gz CQFBLJSZURUHLC-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@H]1CC[N@H+](C2CCCCC2)C[C@@H]1C ZINC000049709173 170166546 /nfs/dbraw/zinc/16/65/46/170166546.db2.gz CQFBLJSZURUHLC-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[C@@H]1CCN(CCc2ccccc2)CCC[NH2+]1 ZINC000049664758 171012563 /nfs/dbraw/zinc/01/25/63/171012563.db2.gz ZDPWTLYBLVUTHV-MRXNPFEDSA-N 1 3 246.398 2.693 10 0 BFAEHO CC[C@@H]1C[N@@H+](C2C[C@H](C)C[C@H](C)C2)CC[C@@H]1N ZINC000134101549 171077332 /nfs/dbraw/zinc/07/73/32/171077332.db2.gz PUWCTUFLCVJQFI-LJIAPDMLSA-N 1 3 238.419 2.870 10 0 BFAEHO CC[C@@H]1C[N@H+](C2C[C@H](C)C[C@H](C)C2)CC[C@@H]1N ZINC000134101549 171077334 /nfs/dbraw/zinc/07/73/34/171077334.db2.gz PUWCTUFLCVJQFI-LJIAPDMLSA-N 1 3 238.419 2.870 10 0 BFAEHO CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000665236370 412175641 /nfs/dbraw/zinc/17/56/41/412175641.db2.gz LKLBYPVRIXMUOL-FRRDWIJNSA-N 1 3 226.408 2.789 10 0 BFAEHO C[C@H]1CC(C[NH2+][C@@H]2CCCNCC2)C[C@H](C)C1 ZINC000665239700 412179210 /nfs/dbraw/zinc/17/92/10/412179210.db2.gz XSGGDZGFSXEQNY-UMVBOHGHSA-N 1 3 238.419 2.790 10 0 BFAEHO CNC(C)(C)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000061319618 173318951 /nfs/dbraw/zinc/31/89/51/173318951.db2.gz SEIZPBYAWQZKKZ-STQMWFEESA-N 1 3 224.392 2.639 10 0 BFAEHO C[NH2+]C(C)(C)CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000061319618 173318952 /nfs/dbraw/zinc/31/89/52/173318952.db2.gz SEIZPBYAWQZKKZ-STQMWFEESA-N 1 3 224.392 2.639 10 0 BFAEHO CNC(C)(C)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000061319618 173318949 /nfs/dbraw/zinc/31/89/49/173318949.db2.gz SEIZPBYAWQZKKZ-STQMWFEESA-N 1 3 224.392 2.639 10 0 BFAEHO CNCC1(C[N@H+](C)CC2CCCC2)CCCC1 ZINC000104350997 173337500 /nfs/dbraw/zinc/33/75/00/173337500.db2.gz MCFHKNRVHNRKFO-UHFFFAOYSA-N 1 3 238.419 2.888 10 0 BFAEHO CNCC1(C[N@@H+](C)CC2CCCC2)CCCC1 ZINC000104350997 173337501 /nfs/dbraw/zinc/33/75/01/173337501.db2.gz MCFHKNRVHNRKFO-UHFFFAOYSA-N 1 3 238.419 2.888 10 0 BFAEHO C[NH2+]CCC[C@@H](C)N(C)Cc1ccccc1F ZINC000052541439 173349752 /nfs/dbraw/zinc/34/97/52/173349752.db2.gz UYJKJHWIOXYNBB-GFCCVEGCSA-N 1 3 238.350 2.646 10 0 BFAEHO C[C@@H]1CC[NH+](CC2CCCC2)CC[C@@H](C)N1 ZINC000049666014 176168328 /nfs/dbraw/zinc/16/83/28/176168328.db2.gz MYEKSRQOIYZYQY-CHWSQXEVSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000034781422 176208988 /nfs/dbraw/zinc/20/89/88/176208988.db2.gz LTPYDUURZCTDIC-DAXOMENPSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000034781422 176208990 /nfs/dbraw/zinc/20/89/90/176208990.db2.gz LTPYDUURZCTDIC-DAXOMENPSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694217 176370621 /nfs/dbraw/zinc/37/06/21/176370621.db2.gz WNZWNQXTGGXDPC-OMBAJQCTSA-N 1 3 248.414 2.767 10 0 BFAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694217 176370622 /nfs/dbraw/zinc/37/06/22/176370622.db2.gz WNZWNQXTGGXDPC-OMBAJQCTSA-N 1 3 248.414 2.767 10 0 BFAEHO C[C@@H]1C[C@@H](N)CC[N@@H+]1C1(C)CCCCC1 ZINC000045046050 176371866 /nfs/dbraw/zinc/37/18/66/176371866.db2.gz NFVQOJBLOINVDM-NEPJUHHUSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@@H]1C[C@@H](N)CC[N@H+]1C1(C)CCCCC1 ZINC000045046050 176371868 /nfs/dbraw/zinc/37/18/68/176371868.db2.gz NFVQOJBLOINVDM-NEPJUHHUSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@@H]1C[C@@H]1CN(C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000104417811 176392200 /nfs/dbraw/zinc/39/22/00/176392200.db2.gz UEVKXXZCYBCXEP-BNOWGMLFSA-N 1 3 245.370 2.642 10 0 BFAEHO C[C@@H]1C(N)[C@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592758 177060451 /nfs/dbraw/zinc/06/04/51/177060451.db2.gz ZOZDGKPSUAGAMX-RQPOKHFESA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@@H]1C(N)[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592758 177060453 /nfs/dbraw/zinc/06/04/53/177060453.db2.gz ZOZDGKPSUAGAMX-RQPOKHFESA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@H]1CCCC[N@@H+]1[C@@H](CCN)c1ccccc1 ZINC000055015011 177078531 /nfs/dbraw/zinc/07/85/31/177078531.db2.gz MLPTVOIZOMULKB-ZFWWWQNUSA-N 1 3 232.371 2.951 10 0 BFAEHO C[C@H]1CCCC[N@H+]1[C@@H](CCN)c1ccccc1 ZINC000055015011 177078532 /nfs/dbraw/zinc/07/85/32/177078532.db2.gz MLPTVOIZOMULKB-ZFWWWQNUSA-N 1 3 232.371 2.951 10 0 BFAEHO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(C)(C)CNC1CC1 ZINC000051249267 177096083 /nfs/dbraw/zinc/09/60/83/177096083.db2.gz WEXXZBMUUIEPBA-QWHCGFSZSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(C)(C)CNC1CC1 ZINC000051249267 177096085 /nfs/dbraw/zinc/09/60/85/177096085.db2.gz WEXXZBMUUIEPBA-QWHCGFSZSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1[C@@H](C)CCCN1CC(C)(C)C[NH2+]C1CC1 ZINC000051249267 177096087 /nfs/dbraw/zinc/09/60/87/177096087.db2.gz WEXXZBMUUIEPBA-QWHCGFSZSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCCN1CCCC1 ZINC000049332354 177136837 /nfs/dbraw/zinc/13/68/37/177136837.db2.gz UYXJWOLVFHYYHK-ZNMIVQPWSA-N 1 3 238.419 2.887 10 0 BFAEHO C[C@@H]1CN[C@@H](C)CC[N@H+](CCC2CCCC2)C1 ZINC000049666897 177158125 /nfs/dbraw/zinc/15/81/25/177158125.db2.gz MIJJOZILIUEPIL-KGLIPLIRSA-N 1 3 238.419 2.887 10 0 BFAEHO C[C@@H]1CN[C@@H](C)CC[N@@H+](CCC2CCCC2)C1 ZINC000049666897 177158126 /nfs/dbraw/zinc/15/81/26/177158126.db2.gz MIJJOZILIUEPIL-KGLIPLIRSA-N 1 3 238.419 2.887 10 0 BFAEHO C[C@H]1CC[NH+](CC2CCCC2)CC[C@H](C)N1 ZINC000049666012 177158664 /nfs/dbraw/zinc/15/86/64/177158664.db2.gz MYEKSRQOIYZYQY-STQMWFEESA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@@H](Cc1ccccc1)N1CCC[NH2+][C@@H](C)CC1 ZINC000062191237 177169831 /nfs/dbraw/zinc/16/98/31/177169831.db2.gz KKMRPBAAJBMJES-GJZGRUSLSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@@H](Cc1ccccc1)[N@@H+]1CCCN[C@@H](C)CC1 ZINC000062191237 177169832 /nfs/dbraw/zinc/16/98/32/177169832.db2.gz KKMRPBAAJBMJES-GJZGRUSLSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@@H](Cc1ccccc1)[N@H+]1CCCN[C@@H](C)CC1 ZINC000062191237 177169834 /nfs/dbraw/zinc/16/98/34/177169834.db2.gz KKMRPBAAJBMJES-GJZGRUSLSA-N 1 3 246.398 2.692 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000053860444 177312607 /nfs/dbraw/zinc/31/26/07/177312607.db2.gz MZLBPGBUVJYJDG-MRLBHPIUSA-N 1 3 238.419 2.728 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H](C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000053860444 177312608 /nfs/dbraw/zinc/31/26/08/177312608.db2.gz MZLBPGBUVJYJDG-MRLBHPIUSA-N 1 3 238.419 2.728 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@@H+](CC(C)(C)CNC2CC2)C1 ZINC000051206923 177313409 /nfs/dbraw/zinc/31/34/09/177313409.db2.gz QPWCQXGAIUHYMJ-BETUJISGSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@H+](CC(C)(C)CNC2CC2)C1 ZINC000051206923 177313411 /nfs/dbraw/zinc/31/34/11/177313411.db2.gz QPWCQXGAIUHYMJ-BETUJISGSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@@H]1C[C@H](C)CN(CC(C)(C)C[NH2+]C2CC2)C1 ZINC000051206923 177313412 /nfs/dbraw/zinc/31/34/12/177313412.db2.gz QPWCQXGAIUHYMJ-BETUJISGSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053860475 177313861 /nfs/dbraw/zinc/31/38/61/177313861.db2.gz LOSRMQWHKDCOES-XGUBFFRZSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053860475 177313863 /nfs/dbraw/zinc/31/38/63/177313863.db2.gz LOSRMQWHKDCOES-XGUBFFRZSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(CN)c2)C1 ZINC000021951951 177314214 /nfs/dbraw/zinc/31/42/14/177314214.db2.gz QDIVFRZYKVUFLA-BETUJISGSA-N 1 3 232.371 2.623 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc(CN)c2)C1 ZINC000021951951 177314216 /nfs/dbraw/zinc/31/42/16/177314216.db2.gz QDIVFRZYKVUFLA-BETUJISGSA-N 1 3 232.371 2.623 10 0 BFAEHO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1N ZINC000169616743 177323328 /nfs/dbraw/zinc/32/33/28/177323328.db2.gz VLNSZQNRDVTFLY-UKTARXLSSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1N ZINC000169616743 177323329 /nfs/dbraw/zinc/32/33/29/177323329.db2.gz VLNSZQNRDVTFLY-UKTARXLSSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1CCCCCCC1 ZINC000049707700 177364002 /nfs/dbraw/zinc/36/40/02/177364002.db2.gz BAOHBKTZUAJWCP-QWHCGFSZSA-N 1 3 224.392 2.911 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1CCCCCCC1 ZINC000049707700 177364003 /nfs/dbraw/zinc/36/40/03/177364003.db2.gz BAOHBKTZUAJWCP-QWHCGFSZSA-N 1 3 224.392 2.911 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1(C)CCCCC1 ZINC000045046048 177364694 /nfs/dbraw/zinc/36/46/94/177364694.db2.gz NFVQOJBLOINVDM-NWDGAFQWSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1(C)CCCCC1 ZINC000045046048 177364695 /nfs/dbraw/zinc/36/46/95/177364695.db2.gz NFVQOJBLOINVDM-NWDGAFQWSA-N 1 3 210.365 2.521 10 0 BFAEHO Cc1cccc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000400362462 225099221 /nfs/dbraw/zinc/09/92/21/225099221.db2.gz OAMWURFYXLXZOW-YDHLFZDLSA-N 1 3 232.371 2.644 10 0 BFAEHO C[C@H](N[C@@H](c1ccccc1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400508159 226345287 /nfs/dbraw/zinc/34/52/87/226345287.db2.gz KRMZLOFBGYVVQL-MAZHCROVSA-N 1 3 244.382 2.725 10 0 BFAEHO C[C@H](NCC(C)(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400517274 226345512 /nfs/dbraw/zinc/34/55/12/226345512.db2.gz GLZSQALILQXJRR-UONOGXRCSA-N 1 3 246.398 2.552 10 0 BFAEHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000400737866 226350688 /nfs/dbraw/zinc/35/06/88/226350688.db2.gz SBDXLEAJGRTQNP-QLFBSQMISA-N 1 3 246.398 2.952 10 0 BFAEHO Cc1ccc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000400737867 226350721 /nfs/dbraw/zinc/35/07/21/226350721.db2.gz SBDXLEAJGRTQNP-SOUVJXGZSA-N 1 3 246.398 2.952 10 0 BFAEHO C[C@H]([NH2+]CC1(C)CCCCC1)[C@@H]1CCCNC1 ZINC000569566619 322970448 /nfs/dbraw/zinc/97/04/48/322970448.db2.gz DVKSAJXOFNJQOJ-UONOGXRCSA-N 1 3 238.419 2.935 10 0 BFAEHO C[C@@H]([NH2+]CC1(C)CCCCC1)[C@H]1CCCNC1 ZINC000569566618 322970504 /nfs/dbraw/zinc/97/05/04/322970504.db2.gz DVKSAJXOFNJQOJ-KGLIPLIRSA-N 1 3 238.419 2.935 10 0 BFAEHO C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCNC1 ZINC000567645925 326238027 /nfs/dbraw/zinc/23/80/27/326238027.db2.gz JCVLDVWWLHWNNY-QWHCGFSZSA-N 1 3 226.408 2.790 10 0 BFAEHO CC(C)[C@@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000319545637 488058508 /nfs/dbraw/zinc/05/85/08/488058508.db2.gz NZHJOEAQYWRAGX-BMFZPTHFSA-N 1 3 246.398 2.705 10 0 BFAEHO CC(C)[C@@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000319545637 488058511 /nfs/dbraw/zinc/05/85/11/488058511.db2.gz NZHJOEAQYWRAGX-BMFZPTHFSA-N 1 3 246.398 2.705 10 0 BFAEHO C[N@H+](CCC(C)(C)C1CC1)[C@@H]1CCCNCC1 ZINC000406069676 487498888 /nfs/dbraw/zinc/49/88/88/487498888.db2.gz QQIKGOBKZSMEOK-CQSZACIVSA-N 1 3 238.419 2.887 10 0 BFAEHO C[N@@H+](CCC(C)(C)C1CC1)[C@@H]1CCCNCC1 ZINC000406069676 487498894 /nfs/dbraw/zinc/49/88/94/487498894.db2.gz QQIKGOBKZSMEOK-CQSZACIVSA-N 1 3 238.419 2.887 10 0 BFAEHO C1CC(C2CCC([NH2+]C3CCNCC3)CC2)C1 ZINC000665282802 491107883 /nfs/dbraw/zinc/10/78/83/491107883.db2.gz CCOMOLKNTGYNHL-UHFFFAOYSA-N 1 3 236.403 2.687 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757131126 582506007 /nfs/dbraw/zinc/50/60/07/582506007.db2.gz PILGFWBOIHHMLK-OCCSQVGLSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757131126 582506008 /nfs/dbraw/zinc/50/60/08/582506008.db2.gz PILGFWBOIHHMLK-OCCSQVGLSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757131126 582506009 /nfs/dbraw/zinc/50/60/09/582506009.db2.gz PILGFWBOIHHMLK-OCCSQVGLSA-N 1 3 224.392 2.782 10 0 BFAEHO CC(C)CN1CC[C@@H]([NH2+]C(C)(C)C)[C@H](C)C1 ZINC000242620170 519731264 /nfs/dbraw/zinc/73/12/64/519731264.db2.gz PWEIUIPUEISWCC-CHWSQXEVSA-N 1 3 226.408 2.741 10 0 BFAEHO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1N ZINC000247954484 525101516 /nfs/dbraw/zinc/10/15/16/525101516.db2.gz ZOZDGKPSUAGAMX-LRDNVRMFSA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H](C)[C@@H]1N ZINC000247954484 525101518 /nfs/dbraw/zinc/10/15/18/525101518.db2.gz ZOZDGKPSUAGAMX-LRDNVRMFSA-N 1 3 246.398 2.879 10 0 BFAEHO CC(C)(C[NH2+][C@@H]1CCCNCC1)C1=CCCC1 ZINC000308758934 527176406 /nfs/dbraw/zinc/17/64/06/527176406.db2.gz SPBYXBPROYUFLE-CQSZACIVSA-N 1 3 236.403 2.855 10 0 BFAEHO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000252512909 535824724 /nfs/dbraw/zinc/82/47/24/535824724.db2.gz DLHNMUKHODWIRF-QPSCCSFWSA-N 1 3 236.403 2.782 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757132608 582507581 /nfs/dbraw/zinc/50/75/81/582507581.db2.gz ROJXGNDTUUGSQA-IHRRRGAJSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757132608 582507583 /nfs/dbraw/zinc/50/75/83/582507583.db2.gz ROJXGNDTUUGSQA-IHRRRGAJSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@H](C)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757132608 582507584 /nfs/dbraw/zinc/50/75/84/582507584.db2.gz ROJXGNDTUUGSQA-IHRRRGAJSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1(c2ccc([C@H]3CC[C@H](C[NH3+])NC3)cc2)CC1 ZINC000757206753 586437283 /nfs/dbraw/zinc/43/72/83/586437283.db2.gz AMZXPDIZXMPEAZ-DZGCQCFKSA-N 1 3 244.382 2.532 10 0 BFAEHO CC1(c2ccc([C@H]3CC[C@H](C[NH3+])CN3)cc2)CC1 ZINC000757217686 586441504 /nfs/dbraw/zinc/44/15/04/586441504.db2.gz RYBQVXCYEXUUBU-IUODEOHRSA-N 1 3 244.382 2.738 10 0 BFAEHO C[C@H](C[N@@H+]1C[C@H](C)[C@H](CN)C1)CC(C)(C)C ZINC000709178902 712203504 /nfs/dbraw/zinc/20/35/04/712203504.db2.gz RKJPNLLNGRJTLA-RWMBFGLXSA-N 1 3 226.408 2.585 10 0 BFAEHO C[C@H](C[N@H+]1C[C@H](C)[C@H](CN)C1)CC(C)(C)C ZINC000709178902 712203506 /nfs/dbraw/zinc/20/35/06/712203506.db2.gz RKJPNLLNGRJTLA-RWMBFGLXSA-N 1 3 226.408 2.585 10 0 BFAEHO CC[C@H](C1CCC1)[NH+]1CCC(N)(CC)CC1 ZINC000714754457 712497795 /nfs/dbraw/zinc/49/77/95/712497795.db2.gz UPZAZFBDOLLYJL-CYBMUJFWSA-N 1 3 224.392 2.768 10 0 BFAEHO CCC(CC)(C[NH3+])CN1CCc2ccccc2C1 ZINC000051212953 168323138 /nfs/dbraw/zinc/32/31/38/168323138.db2.gz WPTIKOAZQLDYRC-UHFFFAOYSA-N 1 3 246.398 2.810 10 0 BFAEHO CCC(CC)(CN)C[N@@H+]1CCc2ccccc2C1 ZINC000051212953 168323141 /nfs/dbraw/zinc/32/31/41/168323141.db2.gz WPTIKOAZQLDYRC-UHFFFAOYSA-N 1 3 246.398 2.810 10 0 BFAEHO CCC(CC)(CN)C[N@H+]1CCc2ccccc2C1 ZINC000051212953 168323142 /nfs/dbraw/zinc/32/31/42/168323142.db2.gz WPTIKOAZQLDYRC-UHFFFAOYSA-N 1 3 246.398 2.810 10 0 BFAEHO C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCNC1 ZINC000576528154 365619218 /nfs/dbraw/zinc/61/92/18/365619218.db2.gz DTRUQMREIWDPFO-UKRRQHHQSA-N 1 3 238.419 2.935 10 0 BFAEHO CCC(CC)[N@@H+]1CCCN[C@@H](CC)CC1 ZINC000049664914 168375631 /nfs/dbraw/zinc/37/56/31/168375631.db2.gz MSMOFWLEYAADAE-LBPRGKRZSA-N 1 3 212.381 2.639 10 0 BFAEHO CCC(CC)[N@H+]1CCCN[C@@H](CC)CC1 ZINC000049664914 168375633 /nfs/dbraw/zinc/37/56/33/168375633.db2.gz MSMOFWLEYAADAE-LBPRGKRZSA-N 1 3 212.381 2.639 10 0 BFAEHO CCc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400726852 529722104 /nfs/dbraw/zinc/72/21/04/529722104.db2.gz PPHOIMLLAUIIRC-WOSRLPQWSA-N 1 3 246.398 2.898 10 0 BFAEHO CC(C)[C@H](c1cccs1)N1CCC([NH3+])CC1 ZINC000042323122 187266071 /nfs/dbraw/zinc/26/60/71/187266071.db2.gz PYCAGBQFHCDUIC-CYBMUJFWSA-N 1 3 238.400 2.868 10 0 BFAEHO CCN(Cc1ccccc1)C[C@@H]1CCC[C@H]1[NH3+] ZINC000249705319 362276959 /nfs/dbraw/zinc/27/69/59/362276959.db2.gz HTTARJQCGFRWMQ-LSDHHAIUSA-N 1 3 232.371 2.636 10 0 BFAEHO C[C@H](CC[N@@H+]1C[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998189 345197216 /nfs/dbraw/zinc/19/72/16/345197216.db2.gz BZPYPQUNPPUBBJ-YCPHGPKFSA-N 1 3 246.398 2.707 10 0 BFAEHO C[C@H](CC[N@H+]1C[C@H](C)[C@@H](CN)C1)c1ccccc1 ZINC000634998189 345197220 /nfs/dbraw/zinc/19/72/20/345197220.db2.gz BZPYPQUNPPUBBJ-YCPHGPKFSA-N 1 3 246.398 2.707 10 0 BFAEHO CC[C@@H]1CCC[C@H](CN2CC[C@@H]([NH3+])[C@@H]2C)C1 ZINC000394515851 346542670 /nfs/dbraw/zinc/54/26/70/346542670.db2.gz MFIKHFIXWPWQBD-RFQIPJPRSA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@H](c1cccs1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380777445 347304428 /nfs/dbraw/zinc/30/44/28/347304428.db2.gz AYGZCOMOHOGKBF-NQBHXWOUSA-N 1 3 238.400 2.726 10 0 BFAEHO C[C@H](c1cccs1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000380777445 347304429 /nfs/dbraw/zinc/30/44/29/347304429.db2.gz AYGZCOMOHOGKBF-NQBHXWOUSA-N 1 3 238.400 2.726 10 0 BFAEHO C[C@H](c1cccs1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000380777445 347304432 /nfs/dbraw/zinc/30/44/32/347304432.db2.gz AYGZCOMOHOGKBF-NQBHXWOUSA-N 1 3 238.400 2.726 10 0 BFAEHO Cc1ccccc1C[N@@H+]1CCCNC(C)(C)C1 ZINC000062615840 179273171 /nfs/dbraw/zinc/27/31/71/179273171.db2.gz RWAYRNMCHVWRBH-UHFFFAOYSA-N 1 3 232.371 2.569 10 0 BFAEHO Cc1ccccc1C[N@H+]1CCCNC(C)(C)C1 ZINC000062615840 179273174 /nfs/dbraw/zinc/27/31/74/179273174.db2.gz RWAYRNMCHVWRBH-UHFFFAOYSA-N 1 3 232.371 2.569 10 0 BFAEHO Cc1ccccc1CN1C[C@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666760 179275825 /nfs/dbraw/zinc/27/58/25/179275825.db2.gz OZFIJOXGQMYZEN-OKILXGFUSA-N 1 3 246.398 2.672 10 0 BFAEHO Cc1ccccc1[C@H](C)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049713916 179336027 /nfs/dbraw/zinc/33/60/27/179336027.db2.gz LAYJFHCECWNEIF-IHRRRGAJSA-N 1 3 232.371 2.868 10 0 BFAEHO CC(C)C[NH+](CCCNC1CC1)CC(C)C ZINC000042375177 538106635 /nfs/dbraw/zinc/10/66/35/538106635.db2.gz ODGBCOZIHFIIPS-UHFFFAOYSA-N 1 3 226.408 2.743 10 0 BFAEHO CCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CCCC1 ZINC000582779544 357390692 /nfs/dbraw/zinc/39/06/92/357390692.db2.gz SPIAHDYBAORNQG-KBPBESRZSA-N 1 3 238.419 2.935 10 0 BFAEHO Cc1cc(NCC[C@H](C)[NH3+])c2ccccc2n1 ZINC000063171617 357552527 /nfs/dbraw/zinc/55/25/27/357552527.db2.gz BKMQHBPYCIVIBG-JTQLQIEISA-N 1 3 229.327 2.692 10 0 BFAEHO CC(C)=CCNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000192319646 357830067 /nfs/dbraw/zinc/83/00/67/357830067.db2.gz NHOSBJCOSZRPJF-AGUYFDCRSA-N 1 3 222.376 2.558 10 0 BFAEHO CC(C)=CCNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000192319646 357830070 /nfs/dbraw/zinc/83/00/70/357830070.db2.gz NHOSBJCOSZRPJF-AGUYFDCRSA-N 1 3 222.376 2.558 10 0 BFAEHO CC[C@H]1CC[C@H](CCN2CCCCC2)[NH2+]C1 ZINC000584651783 358307259 /nfs/dbraw/zinc/30/72/59/358307259.db2.gz HKFNEEYBHYYRTG-UONOGXRCSA-N 1 3 224.392 2.641 10 0 BFAEHO CCN(Cc1ccccc1)C[C@H]1CCC[C@@H]1[NH3+] ZINC000053864841 358430907 /nfs/dbraw/zinc/43/09/07/358430907.db2.gz HTTARJQCGFRWMQ-CABCVRRESA-N 1 3 232.371 2.636 10 0 BFAEHO CCCC1(C[NH2+][C@@H](C)[C@H]2CCCNC2)CC1 ZINC000578497632 366580439 /nfs/dbraw/zinc/58/04/39/366580439.db2.gz PRFMLRCJXMKYIP-STQMWFEESA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000089147809 359993912 /nfs/dbraw/zinc/99/39/12/359993912.db2.gz ZNLYQHCRJXKHBZ-FVQBIDKESA-N 1 3 246.398 2.725 10 0 BFAEHO [NH3+]CC1(CNCc2ccccc2)CCCCC1 ZINC000138113687 360047984 /nfs/dbraw/zinc/04/79/84/360047984.db2.gz CCUNSBGHKZAEHE-UHFFFAOYSA-N 1 3 232.371 2.685 10 0 BFAEHO NCC1(C[NH2+]Cc2ccccc2)CCCCC1 ZINC000138113687 360047989 /nfs/dbraw/zinc/04/79/89/360047989.db2.gz CCUNSBGHKZAEHE-UHFFFAOYSA-N 1 3 232.371 2.685 10 0 BFAEHO CC(=[NH2+])N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000306603861 360531868 /nfs/dbraw/zinc/53/18/68/360531868.db2.gz XXDDAPSXPJJOQQ-SWLSCSKDSA-N 1 3 245.370 2.626 10 0 BFAEHO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C1CCCC1 ZINC000579461687 366813628 /nfs/dbraw/zinc/81/36/28/366813628.db2.gz QIZUZAXINAOLOP-YUELXQCFSA-N 1 3 238.419 2.933 10 0 BFAEHO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)[C@@H]1CCCNC1 ZINC000573711430 364899093 /nfs/dbraw/zinc/89/90/93/364899093.db2.gz SKSXINQMEGSOKH-BFHYXJOUSA-N 1 3 238.419 2.790 10 0 BFAEHO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCCC1 ZINC000574069926 364980038 /nfs/dbraw/zinc/98/00/38/364980038.db2.gz DDLDDJNPZZIDDJ-MBNYWOFBSA-N 1 3 224.392 2.543 10 0 BFAEHO CC(C)(C[NH2+][C@H]1CCCNCC1)C1CCC1 ZINC000384987621 367769827 /nfs/dbraw/zinc/76/98/27/367769827.db2.gz SGVRQUNZKUWFBR-ZDUSSCGKSA-N 1 3 224.392 2.544 10 0 BFAEHO NC1CC[NH+](CC2CCCCCCC2)CC1 ZINC000039186847 368329322 /nfs/dbraw/zinc/32/93/22/368329322.db2.gz FWCYCEJJKSJDCV-UHFFFAOYSA-N 1 3 224.392 2.770 10 0 BFAEHO [NH3+]C1CCN(CC2CCCCCCC2)CC1 ZINC000039186847 368329326 /nfs/dbraw/zinc/32/93/26/368329326.db2.gz FWCYCEJJKSJDCV-UHFFFAOYSA-N 1 3 224.392 2.770 10 0 BFAEHO CCCC[C@H](N)C[N@@H+]1CCCc2ccccc2C1 ZINC000062946173 169008610 /nfs/dbraw/zinc/00/86/10/169008610.db2.gz GXUWUHBFKULQCT-INIZCTEOSA-N 1 3 246.398 2.952 10 0 BFAEHO CCCC[C@H](N)C[N@H+]1CCCc2ccccc2C1 ZINC000062946173 169008612 /nfs/dbraw/zinc/00/86/12/169008612.db2.gz GXUWUHBFKULQCT-INIZCTEOSA-N 1 3 246.398 2.952 10 0 BFAEHO CCCN(CCC)Cc1ccc(C[NH3+])cc1F ZINC000019278508 169149104 /nfs/dbraw/zinc/14/91/04/169149104.db2.gz BYPLZWCLMJGSCX-UHFFFAOYSA-N 1 3 238.350 2.906 10 0 BFAEHO CCC[NH+](CCC)C[C@@H]1C[C@@H](C)CC[C@@H]1N ZINC000053862564 169149191 /nfs/dbraw/zinc/14/91/91/169149191.db2.gz LJJJZRVAEYFBQZ-IHRRRGAJSA-N 1 3 226.408 2.872 10 0 BFAEHO CCCN(CCC[NH3+])Cc1cc(C)ccc1C ZINC000049256645 169155672 /nfs/dbraw/zinc/15/56/72/169155672.db2.gz BCOKRQFFBLUQIN-UHFFFAOYSA-N 1 3 234.387 2.864 10 0 BFAEHO CCC[N@H+](CCCN)Cc1cc(C)ccc1C ZINC000049256645 169155674 /nfs/dbraw/zinc/15/56/74/169155674.db2.gz BCOKRQFFBLUQIN-UHFFFAOYSA-N 1 3 234.387 2.864 10 0 BFAEHO CCC[N@@H+](CCCN)Cc1cc(C)ccc1C ZINC000049256645 169155675 /nfs/dbraw/zinc/15/56/75/169155675.db2.gz BCOKRQFFBLUQIN-UHFFFAOYSA-N 1 3 234.387 2.864 10 0 BFAEHO CCCN1CC[C@H](C[NH2+]C2CCCCC2)C1 ZINC000076453346 169207484 /nfs/dbraw/zinc/20/74/84/169207484.db2.gz ZWYXTXUOOXQSAM-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CCC[NH2+]Cc1ccoc1CN1CCC[C@H]1C ZINC000052375692 169267979 /nfs/dbraw/zinc/26/79/79/169267979.db2.gz CXJYEYNZGFLFNR-GFCCVEGCSA-N 1 3 236.359 2.764 10 0 BFAEHO C[C@@H]1C[C@@H]([NH3+])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000068592744 384002678 /nfs/dbraw/zinc/00/26/78/384002678.db2.gz ZJJABKUGECYXQM-GUIRCDHDSA-N 1 3 232.371 2.633 10 0 BFAEHO Cc1ccccc1[C@@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361190 384205593 /nfs/dbraw/zinc/20/55/93/384205593.db2.gz NRANVGGGAFHGAX-MJBXVCDLSA-N 1 3 232.371 2.644 10 0 BFAEHO FC1(F)CCCC[C@@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000335662739 384470138 /nfs/dbraw/zinc/47/01/38/384470138.db2.gz LWXODADFTCPMCF-NEPJUHHUSA-N 1 3 246.345 2.544 10 0 BFAEHO FC1(F)CCCC[C@@H]1C[NH2+][C@H]1CCCNCC1 ZINC000335662739 384470143 /nfs/dbraw/zinc/47/01/43/384470143.db2.gz LWXODADFTCPMCF-NEPJUHHUSA-N 1 3 246.345 2.544 10 0 BFAEHO CC(C)c1ccc(CNCC[C@H](C)[NH3+])cc1 ZINC000258829023 384940129 /nfs/dbraw/zinc/94/01/29/384940129.db2.gz UZMDOAUCFUPFNY-LBPRGKRZSA-N 1 3 220.360 2.637 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000169616731 385415951 /nfs/dbraw/zinc/41/59/51/385415951.db2.gz UKWBVZXKIFQVBE-BHPKHCPMSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000169616731 385415955 /nfs/dbraw/zinc/41/59/55/385415955.db2.gz UKWBVZXKIFQVBE-BHPKHCPMSA-N 1 3 232.371 2.633 10 0 BFAEHO CC1([NH3+])CCN(c2ccnc3ccccc32)CC1 ZINC000643029209 385524038 /nfs/dbraw/zinc/52/40/38/385524038.db2.gz LWQYENDKRHHALO-UHFFFAOYSA-N 1 3 241.338 2.552 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@@H]1CCCNC1 ZINC000520394169 386662409 /nfs/dbraw/zinc/66/24/09/386662409.db2.gz PNJHIKNDYISGSL-BARDWOONSA-N 1 3 238.419 2.933 10 0 BFAEHO N[C@H](CCCC[NH3+])c1c(F)cc(Cl)cc1F ZINC000575438430 387128986 /nfs/dbraw/zinc/12/89/86/387128986.db2.gz IWHHFKYSSHNNOI-SNVBAGLBSA-N 1 3 248.704 2.747 10 0 BFAEHO C[C@@H]1C[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000120408567 387242552 /nfs/dbraw/zinc/24/25/52/387242552.db2.gz NFXFRXRNQRIEBD-IUODEOHRSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H]1C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000120408567 387242555 /nfs/dbraw/zinc/24/25/55/387242555.db2.gz NFXFRXRNQRIEBD-IUODEOHRSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCNC1 ZINC000516450395 387510090 /nfs/dbraw/zinc/51/00/90/387510090.db2.gz KQFGGHFRCDDPCV-HIFRSBDPSA-N 1 3 236.403 2.855 10 0 BFAEHO C[C@H]([NH2+]CCC(C)(C)C1CC1)[C@@H]1CCCNC1 ZINC000643491135 387579883 /nfs/dbraw/zinc/57/98/83/387579883.db2.gz AIAFBPNMOFWKBY-QWHCGFSZSA-N 1 3 238.419 2.790 10 0 BFAEHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)[C@H]1C[C@H]1C ZINC000322211007 388032170 /nfs/dbraw/zinc/03/21/70/388032170.db2.gz UJTPFBMQFJGJJM-QPSCCSFWSA-N 1 3 238.419 2.741 10 0 BFAEHO CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084218131 388075324 /nfs/dbraw/zinc/07/53/24/388075324.db2.gz VDGSGEPMAXDCKA-MJBXVCDLSA-N 1 3 226.408 2.918 10 0 BFAEHO CC(C)(C)[NH2+]C[C@H]1CCCCN1c1ccncc1 ZINC000053700310 132363107 /nfs/dbraw/zinc/36/31/07/132363107.db2.gz JXRPQFVMHFVBSJ-CQSZACIVSA-N 1 3 247.386 2.829 10 0 BFAEHO C[C@H](c1ccccc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259354023 135142363 /nfs/dbraw/zinc/14/23/63/135142363.db2.gz UAHOWZBUNOIXKT-TZMCWYRMSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000259354023 135142364 /nfs/dbraw/zinc/14/23/64/135142364.db2.gz UAHOWZBUNOIXKT-TZMCWYRMSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000259354023 135142366 /nfs/dbraw/zinc/14/23/66/135142366.db2.gz UAHOWZBUNOIXKT-TZMCWYRMSA-N 1 3 232.371 2.807 10 0 BFAEHO CC1CCC(CN2CC[C@H]([NH3+])C(C)(C)C2)CC1 ZINC000261541254 135181357 /nfs/dbraw/zinc/18/13/57/135181357.db2.gz BALARCRLYAZVPC-RUXDESIVSA-N 1 3 238.419 2.872 10 0 BFAEHO Cc1cccc(CN2CC[C@H]([NH3+])C(C)(C)C2)c1C ZINC000261560315 135201483 /nfs/dbraw/zinc/20/14/83/135201483.db2.gz FGWWQTGMBMYWOQ-HNNXBMFYSA-N 1 3 246.398 2.863 10 0 BFAEHO C[C@H](Cc1cccc(Cl)c1)NCC(C)(C)[NH3+] ZINC000261598548 135236680 /nfs/dbraw/zinc/23/66/80/135236680.db2.gz ZPZIFGKNBPKPQK-SNVBAGLBSA-N 1 3 240.778 2.598 10 0 BFAEHO Cc1ccc(CC[N@@H+]2CC[C@H](N)C(C)(C)C2)cc1 ZINC000261695754 135246674 /nfs/dbraw/zinc/24/66/74/135246674.db2.gz KXRGFHLWRUSAKD-HNNXBMFYSA-N 1 3 246.398 2.597 10 0 BFAEHO Cc1ccc(CC[N@H+]2CC[C@H](N)C(C)(C)C2)cc1 ZINC000261695754 135246675 /nfs/dbraw/zinc/24/66/75/135246675.db2.gz KXRGFHLWRUSAKD-HNNXBMFYSA-N 1 3 246.398 2.597 10 0 BFAEHO CC(C)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000564826352 398045703 /nfs/dbraw/zinc/04/57/03/398045703.db2.gz OKSCECXOFCQAAX-QWHCGFSZSA-N 1 3 226.408 2.646 10 0 BFAEHO CC(C)C(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000564826456 398045782 /nfs/dbraw/zinc/04/57/82/398045782.db2.gz OKSCECXOFCQAAX-STQMWFEESA-N 1 3 226.408 2.646 10 0 BFAEHO CC(C)C[NH2+]CC[C@H](C)N1C[C@@H](C)C[C@H](C)C1 ZINC000052420952 167005455 /nfs/dbraw/zinc/00/54/55/167005455.db2.gz BNUXTBRAKNBPAZ-KKUMJFAQSA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)C[NH2+]C[C@H](C)CN1CCC[C@H](C)[C@H]1C ZINC000052373249 167007186 /nfs/dbraw/zinc/00/71/86/167007186.db2.gz CKTZOVZSTKSEAH-SOUVJXGZSA-N 1 3 240.435 2.989 10 0 BFAEHO c1ccc2c(c1)cccc2CNC[C@@H]1CC[NH2+]C1 ZINC000259014816 322881190 /nfs/dbraw/zinc/88/11/90/322881190.db2.gz YCQCKSBARUXKKQ-CYBMUJFWSA-N 1 3 240.350 2.539 10 0 BFAEHO CC(C)[NH2+]C1CCN([C@@H]2CC[C@H](C)C2)CC1 ZINC000309718021 167095935 /nfs/dbraw/zinc/09/59/35/167095935.db2.gz ZOSOOVRICXWRLH-GXTWGEPZSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1CN ZINC000071250449 167369058 /nfs/dbraw/zinc/36/90/58/167369058.db2.gz RZLGWTXLJAEZLD-LLVKDONJSA-N 1 3 238.350 2.761 10 0 BFAEHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1CN ZINC000071250449 167369061 /nfs/dbraw/zinc/36/90/61/167369061.db2.gz RZLGWTXLJAEZLD-LLVKDONJSA-N 1 3 238.350 2.761 10 0 BFAEHO C[C@@H](C[N@H+](C)[C@H]1CCCNCC1)C(C)(C)C ZINC000304362915 411360908 /nfs/dbraw/zinc/36/09/08/411360908.db2.gz YWASRZWMGFHSGW-STQMWFEESA-N 1 3 226.408 2.743 10 0 BFAEHO C[C@@H](C[N@@H+](C)[C@H]1CCCNCC1)C(C)(C)C ZINC000304362915 411360911 /nfs/dbraw/zinc/36/09/11/411360911.db2.gz YWASRZWMGFHSGW-STQMWFEESA-N 1 3 226.408 2.743 10 0 BFAEHO CC1CCC(C)([NH2+]C[C@@H]2CCCNC2)CC1 ZINC000336409292 168150243 /nfs/dbraw/zinc/15/02/43/168150243.db2.gz GCCQYGPXAZYUAA-ROKHWSDSSA-N 1 3 224.392 2.544 10 0 BFAEHO CC1CC[NH+](C[C@@H]2CCCCC[C@@H]2N)CC1 ZINC000053860975 168183061 /nfs/dbraw/zinc/18/30/61/168183061.db2.gz ZLYFDOGJDHERQH-KBPBESRZSA-N 1 3 224.392 2.626 10 0 BFAEHO CCNC(C)(C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061299707 170107420 /nfs/dbraw/zinc/10/74/20/170107420.db2.gz INONEGAKAOLZCQ-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC(C)(C)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000061299707 170107422 /nfs/dbraw/zinc/10/74/22/170107422.db2.gz INONEGAKAOLZCQ-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(C)(C)C ZINC000054628703 170109900 /nfs/dbraw/zinc/10/99/00/170109900.db2.gz WTKKEOJVSZABQZ-YHWZYXNKSA-N 1 3 224.392 2.637 10 0 BFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000054628703 170109901 /nfs/dbraw/zinc/10/99/01/170109901.db2.gz WTKKEOJVSZABQZ-YHWZYXNKSA-N 1 3 224.392 2.637 10 0 BFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054628703 170109903 /nfs/dbraw/zinc/10/99/03/170109903.db2.gz WTKKEOJVSZABQZ-YHWZYXNKSA-N 1 3 224.392 2.637 10 0 BFAEHO CCNC[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000053030882 170120062 /nfs/dbraw/zinc/12/00/62/170120062.db2.gz VNZHRFLZNCJGKE-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNC[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000053030882 170120063 /nfs/dbraw/zinc/12/00/63/170120063.db2.gz VNZHRFLZNCJGKE-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNCc1cc(C[N@H+](C)[C@H](C)CC)c(C)o1 ZINC000052444286 170125227 /nfs/dbraw/zinc/12/52/27/170125227.db2.gz QRYKOTKCCXCCMX-LLVKDONJSA-N 1 3 238.375 2.928 10 0 BFAEHO CCNCc1cc(C[N@@H+](C)[C@H](C)CC)c(C)o1 ZINC000052444286 170125228 /nfs/dbraw/zinc/12/52/28/170125228.db2.gz QRYKOTKCCXCCMX-LLVKDONJSA-N 1 3 238.375 2.928 10 0 BFAEHO CC[NH2+]Cc1ccc(CN2CCCCC2)s1 ZINC000045206493 170126129 /nfs/dbraw/zinc/12/61/29/170126129.db2.gz UUMQRSHELXIOMG-UHFFFAOYSA-N 1 3 238.400 2.844 10 0 BFAEHO CCN[C@@H]1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000053861962 170152292 /nfs/dbraw/zinc/15/22/92/170152292.db2.gz FGPLVNFIIRPPHQ-UONOGXRCSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[NH2+][C@H]1CCCC[C@@H]1CN1CCCCC1 ZINC000060743293 170165624 /nfs/dbraw/zinc/16/56/24/170165624.db2.gz ARWVMIXJKNEVSG-KGLIPLIRSA-N 1 3 224.392 2.641 10 0 BFAEHO CCN[C@H]1CCC[C@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860438 170167255 /nfs/dbraw/zinc/16/72/55/170167255.db2.gz XUIBGGRSSRYAHN-XGUBFFRZSA-N 1 3 238.419 2.743 10 0 BFAEHO CCN[C@H]1CCC[C@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860438 170167256 /nfs/dbraw/zinc/16/72/56/170167256.db2.gz XUIBGGRSSRYAHN-XGUBFFRZSA-N 1 3 238.419 2.743 10 0 BFAEHO CC[C@@H]1CC[N@H+](CCC(C)C)C[C@H](C)CN1 ZINC000049663258 171008483 /nfs/dbraw/zinc/00/84/83/171008483.db2.gz QHJZEQYIWXTZTP-ZIAGYGMSSA-N 1 3 226.408 2.743 10 0 BFAEHO CC[C@@H]1CC[N@@H+](CCC(C)C)C[C@H](C)CN1 ZINC000049663258 171008487 /nfs/dbraw/zinc/00/84/87/171008487.db2.gz QHJZEQYIWXTZTP-ZIAGYGMSSA-N 1 3 226.408 2.743 10 0 BFAEHO CNC1CC[NH+](C2CCCCCCC2)CC1 ZINC000037240718 173323241 /nfs/dbraw/zinc/32/32/41/173323241.db2.gz LXDIFWPGBBNZHT-UHFFFAOYSA-N 1 3 224.392 2.783 10 0 BFAEHO C[NH2+]C1CCN(C2CCCCCCC2)CC1 ZINC000037240718 173323244 /nfs/dbraw/zinc/32/32/44/173323244.db2.gz LXDIFWPGBBNZHT-UHFFFAOYSA-N 1 3 224.392 2.783 10 0 BFAEHO CNC1CC[NH+]([C@@H](C)C2CCCCC2)CC1 ZINC000052340262 173323771 /nfs/dbraw/zinc/32/37/71/173323771.db2.gz NBXZNNMNEDLYRT-LBPRGKRZSA-N 1 3 224.392 2.639 10 0 BFAEHO C[NH2+]C1CCN([C@@H](C)C2CCCCC2)CC1 ZINC000052340262 173323773 /nfs/dbraw/zinc/32/37/73/173323773.db2.gz NBXZNNMNEDLYRT-LBPRGKRZSA-N 1 3 224.392 2.639 10 0 BFAEHO C[NH2+]CCC[C@H](C)N(C)Cc1ccccc1F ZINC000052541438 173350797 /nfs/dbraw/zinc/35/07/97/173350797.db2.gz UYJKJHWIOXYNBB-LBPRGKRZSA-N 1 3 238.350 2.646 10 0 BFAEHO C[NH2+]C[C@H]1CCN([C@H](C)c2ccc(C)c(C)c2)C1 ZINC000071142319 173382280 /nfs/dbraw/zinc/38/22/80/173382280.db2.gz VHGSTFZMNMBZHA-HUUCEWRRSA-N 1 3 246.398 2.906 10 0 BFAEHO CNCc1cc(C[N@H+](C)CC(C)(C)C)c(C)o1 ZINC000052570198 173387047 /nfs/dbraw/zinc/38/70/47/173387047.db2.gz QIIGGDTUKRIGAK-UHFFFAOYSA-N 1 3 238.375 2.785 10 0 BFAEHO CNCc1cc(C[N@@H+](C)CC(C)(C)C)c(C)o1 ZINC000052570198 173387048 /nfs/dbraw/zinc/38/70/48/173387048.db2.gz QIIGGDTUKRIGAK-UHFFFAOYSA-N 1 3 238.375 2.785 10 0 BFAEHO COc1ccc([C@@H](C)[NH3+])cc1CN1CCC[C@@H]1C ZINC000037910702 175176396 /nfs/dbraw/zinc/17/63/96/175176396.db2.gz BGXYCGMTHLSBGY-NWDGAFQWSA-N 1 3 248.370 2.699 10 0 BFAEHO COc1ccc([C@H]([NH3+])CCN2CCCCC2)cc1 ZINC000040542555 175191667 /nfs/dbraw/zinc/19/16/67/175191667.db2.gz ZQKQMDNUZMVIFL-OAHLLOKOSA-N 1 3 248.370 2.571 10 0 BFAEHO C[C@@H]1CCCC[N@@H+]1[C@@H](CCN)c1ccccc1 ZINC000055015008 176074920 /nfs/dbraw/zinc/07/49/20/176074920.db2.gz MLPTVOIZOMULKB-HIFRSBDPSA-N 1 3 232.371 2.951 10 0 BFAEHO C[C@@H]1CCCC[N@H+]1[C@@H](CCN)c1ccccc1 ZINC000055015008 176074922 /nfs/dbraw/zinc/07/49/22/176074922.db2.gz MLPTVOIZOMULKB-HIFRSBDPSA-N 1 3 232.371 2.951 10 0 BFAEHO C[C@@H]1CCC[N@H+](CC(C)(C)CNC2CC2)[C@@H]1C ZINC000051249266 176096820 /nfs/dbraw/zinc/09/68/20/176096820.db2.gz WEXXZBMUUIEPBA-CHWSQXEVSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1CCC[N@@H+](CC(C)(C)CNC2CC2)[C@@H]1C ZINC000051249266 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BFAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132809 582508464 /nfs/dbraw/zinc/50/84/64/582508464.db2.gz RWCBVGMURFHJIT-BFHYXJOUSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757132809 582508465 /nfs/dbraw/zinc/50/84/65/582508465.db2.gz RWCBVGMURFHJIT-BFHYXJOUSA-N 1 3 224.392 2.637 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000238855982 525418891 /nfs/dbraw/zinc/41/88/91/525418891.db2.gz UKWBVZXKIFQVBE-OSFYFWSMSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238855982 525418898 /nfs/dbraw/zinc/41/88/98/525418898.db2.gz UKWBVZXKIFQVBE-OSFYFWSMSA-N 1 3 232.371 2.633 10 0 BFAEHO [NH3+]C[C@@H]1CCCN(CC/C=C\c2ccccc2)C1 ZINC000301055131 527212641 /nfs/dbraw/zinc/21/26/41/527212641.db2.gz WDEPYOVOHZGLFB-SGNXQUTQSA-N 1 3 244.382 2.761 10 0 BFAEHO NC[C@@H]1CCC[N@H+](CC/C=C\c2ccccc2)C1 ZINC000301055131 527212645 /nfs/dbraw/zinc/21/26/45/527212645.db2.gz 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/nfs/dbraw/zinc/50/34/94/582503494.db2.gz ILBDTSFFOUFXBO-UMVBOHGHSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757127984 582503496 /nfs/dbraw/zinc/50/34/96/582503496.db2.gz ILBDTSFFOUFXBO-UMVBOHGHSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H]1NCCC[C@]12CCC[N@@H+]2CCC1CCC1 ZINC000757129416 582503699 /nfs/dbraw/zinc/50/36/99/582503699.db2.gz LGKZCQLUWQUAMC-ZFWWWQNUSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@@H]1NCCC[C@]12CCC[N@H+]2CCC1CCC1 ZINC000757129416 582503700 /nfs/dbraw/zinc/50/37/00/582503700.db2.gz LGKZCQLUWQUAMC-ZFWWWQNUSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@@H]1[NH2+]CCC[C@]12CCCN2CCC1CCC1 ZINC000757129416 582503702 /nfs/dbraw/zinc/50/37/02/582503702.db2.gz LGKZCQLUWQUAMC-ZFWWWQNUSA-N 1 3 236.403 2.783 10 0 BFAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132812 582508217 /nfs/dbraw/zinc/50/82/17/582508217.db2.gz RWCBVGMURFHJIT-IHRRRGAJSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@H](C)[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757132812 582508218 /nfs/dbraw/zinc/50/82/18/582508218.db2.gz RWCBVGMURFHJIT-IHRRRGAJSA-N 1 3 224.392 2.637 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757135274 586427227 /nfs/dbraw/zinc/42/72/27/586427227.db2.gz ZGVKGVINJVNHKC-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757135274 586427228 /nfs/dbraw/zinc/42/72/28/586427228.db2.gz ZGVKGVINJVNHKC-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757135274 586427230 /nfs/dbraw/zinc/42/72/30/586427230.db2.gz ZGVKGVINJVNHKC-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@@H]1C[C@H](N)C[NH2+][C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208180 586437706 /nfs/dbraw/zinc/43/77/06/586437706.db2.gz CFTFRUVPICSANY-UGFHNGPFSA-N 1 3 244.382 2.736 10 0 BFAEHO C[C@H](C[N@@H+]1C[C@@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC000709178904 712203439 /nfs/dbraw/zinc/20/34/39/712203439.db2.gz RKJPNLLNGRJTLA-XQQFMLRXSA-N 1 3 226.408 2.585 10 0 BFAEHO C[C@H](C[N@H+]1C[C@@H](C)[C@@H](CN)C1)CC(C)(C)C ZINC000709178904 712203440 /nfs/dbraw/zinc/20/34/40/712203440.db2.gz RKJPNLLNGRJTLA-XQQFMLRXSA-N 1 3 226.408 2.585 10 0 BFAEHO CN(C)[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000715492579 712523401 /nfs/dbraw/zinc/52/34/01/712523401.db2.gz VPPGVEKUIMMIPA-CVEARBPZSA-N 1 3 246.398 2.692 10 0 BFAEHO Cc1cc(NC2CC[NH2+]CC2)c2ccccc2n1 ZINC000035697595 398161532 /nfs/dbraw/zinc/16/15/32/398161532.db2.gz OAMSYTHXEMYQTQ-UHFFFAOYSA-N 1 3 241.338 2.707 10 0 BFAEHO CCC(CC)C[C@@H](CN)[C@H]1CCCC[NH2+]1 ZINC000068591039 168367271 /nfs/dbraw/zinc/36/72/71/168367271.db2.gz ZTIWCHDIIPTXKU-QWHCGFSZSA-N 1 3 212.381 2.530 10 0 BFAEHO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]CCCN1CCCCC1 ZINC000035015355 342699296 /nfs/dbraw/zinc/69/92/96/342699296.db2.gz HDVMVIPSKDPXFA-OWCLPIDISA-N 1 3 248.414 2.664 10 0 BFAEHO CC(C)CN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC000036093165 342837064 /nfs/dbraw/zinc/83/70/64/342837064.db2.gz LDELVNUHOAVIQP-UHFFFAOYSA-N 1 3 246.398 2.897 10 0 in-vivo BFAEHO CCCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CCC1 ZINC000584047298 343306365 /nfs/dbraw/zinc/30/63/65/343306365.db2.gz GZVZSTUFPSXRHY-UONOGXRCSA-N 1 3 238.419 2.935 10 0 BFAEHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)C(C)(C)C ZINC000336770241 187316505 /nfs/dbraw/zinc/31/65/05/187316505.db2.gz VLHPIZVLMXEMFG-NEPJUHHUSA-N 1 3 214.397 2.598 10 0 BFAEHO Cc1cccc(CN2C[C@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049666841 179080966 /nfs/dbraw/zinc/08/09/66/179080966.db2.gz SDLGIUUZUKNGPW-GASCZTMLSA-N 1 3 246.398 2.672 10 0 BFAEHO Cc1cccc(CN2C[C@@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427379 179081295 /nfs/dbraw/zinc/08/12/95/179081295.db2.gz FIOZEQNAYRCAIX-DZGCQCFKSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1CN1CC[C@@H](C)[NH2+][C@@H](C)CC1 ZINC000049666751 179275454 /nfs/dbraw/zinc/27/54/54/179275454.db2.gz AAVJGIVBNYAAKF-GASCZTMLSA-N 1 3 246.398 2.957 10 0 BFAEHO CC[C@@H]1CCN(Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219630975 350134526 /nfs/dbraw/zinc/13/45/26/350134526.db2.gz HEJXHUKSKYTQRB-GOEBONIOSA-N 1 3 246.398 2.897 10 0 BFAEHO CC(C)C[C@H](C)N(C)Cc1ccccc1C(N)=[NH2+] ZINC000042584041 188294105 /nfs/dbraw/zinc/29/41/05/188294105.db2.gz CDJNIHSXHNJPQG-LBPRGKRZSA-N 1 3 247.386 2.837 10 0 BFAEHO CN[C@@H]1CC[N@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000049710742 188298976 /nfs/dbraw/zinc/29/89/76/188298976.db2.gz URPUGKVVLVXPLK-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CN[C@@H]1CC[N@@H+](CC2CCCCC2)[C@@H](C)C1 ZINC000049710742 188298978 /nfs/dbraw/zinc/29/89/78/188298978.db2.gz URPUGKVVLVXPLK-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO C[NH2+][C@@H]1CCN(CC2CCCCC2)[C@@H](C)C1 ZINC000049710742 188298980 /nfs/dbraw/zinc/29/89/80/188298980.db2.gz URPUGKVVLVXPLK-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCCC[N@@H+]1CC[C@@H](N2CCCCC2)[C@H](C)C1 ZINC000073654169 188368263 /nfs/dbraw/zinc/36/82/63/188368263.db2.gz SPNCBOUPTILNOT-HUUCEWRRSA-N 1 3 238.419 2.983 10 0 BFAEHO CCCC[N@H+]1CC[C@@H](N2CCCCC2)[C@H](C)C1 ZINC000073654169 188368264 /nfs/dbraw/zinc/36/82/64/188368264.db2.gz SPNCBOUPTILNOT-HUUCEWRRSA-N 1 3 238.419 2.983 10 0 BFAEHO C[C@H](CCc1ccccc1)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000396626277 358450382 /nfs/dbraw/zinc/45/03/82/358450382.db2.gz ITNPJGFZEDAXCL-IIAWOOMASA-N 1 3 246.398 2.738 10 0 BFAEHO Cc1cc(N[C@@H](C)CC[NH3+])c2ccccc2n1 ZINC000134274655 358785623 /nfs/dbraw/zinc/78/56/23/358785623.db2.gz QFZKGPCKZBRQAS-JTQLQIEISA-N 1 3 229.327 2.692 10 0 BFAEHO [NH3+]C1CCC(CN(Cc2ccco2)C2CC2)CC1 ZINC000042693336 181341775 /nfs/dbraw/zinc/34/17/75/181341775.db2.gz KYPZSPXZCZAORP-UHFFFAOYSA-N 1 3 248.370 2.762 10 0 BFAEHO C[C@H]1C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1CN ZINC000631837200 369090216 /nfs/dbraw/zinc/09/02/16/369090216.db2.gz OMWZVWARNDIPFI-WFASDCNBSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1CN ZINC000631837200 369090221 /nfs/dbraw/zinc/09/02/21/369090221.db2.gz OMWZVWARNDIPFI-WFASDCNBSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@H]1CN(Cc2ccccc2C2CC2)C[C@@H]1C[NH3+] ZINC000631837200 369090228 /nfs/dbraw/zinc/09/02/28/369090228.db2.gz OMWZVWARNDIPFI-WFASDCNBSA-N 1 3 244.382 2.591 10 0 BFAEHO CC(C)(C)CCC[NH2+][C@H]1CCCNCC1 ZINC000313299086 370578029 /nfs/dbraw/zinc/57/80/29/370578029.db2.gz NDTGVWNEBWMKAB-LBPRGKRZSA-N 1 3 212.381 2.544 10 0 BFAEHO C[N@H+](Cc1ccccc1)[C@H]1CCNCC1(C)C ZINC000306566375 372037041 /nfs/dbraw/zinc/03/70/41/372037041.db2.gz ZLRSLXGSAZTYMF-AWEZNQCLSA-N 1 3 232.371 2.507 10 0 BFAEHO C[N@@H+](Cc1ccccc1)[C@H]1CCNCC1(C)C ZINC000306566375 372037044 /nfs/dbraw/zinc/03/70/44/372037044.db2.gz ZLRSLXGSAZTYMF-AWEZNQCLSA-N 1 3 232.371 2.507 10 0 BFAEHO CCC[NH+](CCC)Cc1ccc(F)cc1CN ZINC000071249823 169148988 /nfs/dbraw/zinc/14/89/88/169148988.db2.gz XRCYPRIRHYTWJD-UHFFFAOYSA-N 1 3 238.350 2.906 10 0 BFAEHO CCCN(CCC)[C@@H](C[NH3+])c1ccccc1 ZINC000038916554 169150904 /nfs/dbraw/zinc/15/09/04/169150904.db2.gz WCDPWMDVGAGTFD-AWEZNQCLSA-N 1 3 220.360 2.808 10 0 BFAEHO CCC[NH+](CCC)CC[C@@H](N)C(C)(C)C ZINC000054027123 169147765 /nfs/dbraw/zinc/14/77/65/169147765.db2.gz IULHEALVYRKWPM-GFCCVEGCSA-N 1 3 214.397 2.872 10 0 BFAEHO CCCN1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)C2CC2)C1 ZINC000035732771 169198122 /nfs/dbraw/zinc/19/81/22/169198122.db2.gz XLUWSAUPXIBCAU-GUTXKFCHSA-N 1 3 238.419 2.885 10 0 BFAEHO CCC[NH2+]Cc1ccoc1CN1CCC[C@@H]1C ZINC000052375690 169267479 /nfs/dbraw/zinc/26/74/79/169267479.db2.gz CXJYEYNZGFLFNR-LBPRGKRZSA-N 1 3 236.359 2.764 10 0 BFAEHO CCC[NH2+][C@@H]1CCN(C2CCCC2)[C@H](C)C1 ZINC000049709073 169282401 /nfs/dbraw/zinc/28/24/01/169282401.db2.gz RBFDYLAROWNTTC-CHWSQXEVSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@@H](C[C@H](CN)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591126 384002820 /nfs/dbraw/zinc/00/28/20/384002820.db2.gz XPOCUETWGWPYKX-IMJJTQAJSA-N 1 3 246.398 2.897 10 0 BFAEHO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1N)c1cccs1 ZINC000095068313 384329520 /nfs/dbraw/zinc/32/95/20/384329520.db2.gz KYTWHDVLBNFCRS-OUAUKWLOSA-N 1 3 224.373 2.669 10 0 BFAEHO C[C@@H]1C[C@@H]1c1ccc(CNC2CCC([NH3+])CC2)o1 ZINC000051692963 385259839 /nfs/dbraw/zinc/25/98/39/385259839.db2.gz JHODYCOSGAHIPX-NPZBDFSRSA-N 1 3 248.370 2.763 10 0 BFAEHO CC(C)=CC[NH2+]C1CC(N2CCCCC2)C1 ZINC000309612411 385746047 /nfs/dbraw/zinc/74/60/47/385746047.db2.gz MYRZTTCDWIOVJI-UHFFFAOYSA-N 1 3 222.376 2.559 10 0 BFAEHO FC1(F)CCC(C[NH2+][C@@H]2CCCNCC2)CC1 ZINC000335023541 385984895 /nfs/dbraw/zinc/98/48/95/385984895.db2.gz QYMBRDHQGUPDHO-GFCCVEGCSA-N 1 3 246.345 2.544 10 0 BFAEHO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CN)CC(C)(C)C1 ZINC000414790944 386547029 /nfs/dbraw/zinc/54/70/29/386547029.db2.gz AUYAQJDTMNOARF-RFGFWPKPSA-N 1 3 238.419 2.918 10 0 BFAEHO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CCCNC1 ZINC000520394170 386662550 /nfs/dbraw/zinc/66/25/50/386662550.db2.gz PNJHIKNDYISGSL-KBXIAJHMSA-N 1 3 238.419 2.933 10 0 BFAEHO c1ccc(C2CC(N[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000334855551 386907007 /nfs/dbraw/zinc/90/70/07/386907007.db2.gz ILINPVLOAYYJMP-PCKAHOCUSA-N 1 3 244.382 2.664 10 0 BFAEHO c1ccc(C2CC([NH2+][C@H]3CCCNCC3)C2)cc1 ZINC000334855551 386907011 /nfs/dbraw/zinc/90/70/11/386907011.db2.gz ILINPVLOAYYJMP-PCKAHOCUSA-N 1 3 244.382 2.664 10 0 BFAEHO CC(C)(C)C1CC([NH2+][C@@H]2CCCNCC2)C1 ZINC000335003695 387096883 /nfs/dbraw/zinc/09/68/83/387096883.db2.gz CYBZMDNLKMEADE-OTTFEQOBSA-N 1 3 224.392 2.543 10 0 BFAEHO Cc1ccc(F)c([C@H](N)CCC[NH3+])c1Cl ZINC000575438206 387108794 /nfs/dbraw/zinc/10/87/94/387108794.db2.gz DWNKNMGKUDVBMG-SECBINFHSA-N 1 3 230.714 2.526 10 0 BFAEHO N[C@@H](CCCC[NH3+])c1c(F)cccc1Cl ZINC000575440402 387132983 /nfs/dbraw/zinc/13/29/83/387132983.db2.gz SNVHSIDVUYRFHK-JTQLQIEISA-N 1 3 230.714 2.608 10 0 BFAEHO C[C@@H]1C[C@@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000120408251 387243425 /nfs/dbraw/zinc/24/34/25/387243425.db2.gz NFXFRXRNQRIEBD-DOMZBBRYSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H]1C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000120408251 387243429 /nfs/dbraw/zinc/24/34/29/387243429.db2.gz NFXFRXRNQRIEBD-DOMZBBRYSA-N 1 3 236.403 2.782 10 0 BFAEHO CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000251444551 135069563 /nfs/dbraw/zinc/06/95/63/135069563.db2.gz WDPMWJIGVIMLKT-RWMBFGLXSA-N 1 3 212.381 2.528 10 0 BFAEHO CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000251787899 135077669 /nfs/dbraw/zinc/07/76/69/135077669.db2.gz XFZWWWCMOYVRJC-ZNMIVQPWSA-N 1 3 238.419 2.887 10 0 BFAEHO Cc1ccc(CC[N@@H+]2CC[C@@H](N)C(C)(C)C2)cc1 ZINC000261695756 135247005 /nfs/dbraw/zinc/24/70/05/135247005.db2.gz KXRGFHLWRUSAKD-OAHLLOKOSA-N 1 3 246.398 2.597 10 0 BFAEHO Cc1ccc(CC[N@H+]2CC[C@@H](N)C(C)(C)C2)cc1 ZINC000261695756 135247007 /nfs/dbraw/zinc/24/70/07/135247007.db2.gz KXRGFHLWRUSAKD-OAHLLOKOSA-N 1 3 246.398 2.597 10 0 BFAEHO CC(C)CNC[C@H](C)C[N@H+](CC1CC1)C(C)C ZINC000052345724 167006002 /nfs/dbraw/zinc/00/60/02/167006002.db2.gz SKNBETLMPXMMTG-AWEZNQCLSA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)CNC[C@H](C)C[N@@H+](CC1CC1)C(C)C ZINC000052345724 167006004 /nfs/dbraw/zinc/00/60/04/167006004.db2.gz SKNBETLMPXMMTG-AWEZNQCLSA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)[NH2+]C1CCN([C@H]2CC[C@H](C)C2)CC1 ZINC000309718022 167095034 /nfs/dbraw/zinc/09/50/34/167095034.db2.gz ZOSOOVRICXWRLH-JSGCOSHPSA-N 1 3 224.392 2.637 10 0 BFAEHO CC1CCC([NH+]2C[C@H](C)CNC[C@@H](C)C2)CC1 ZINC000049665450 168159126 /nfs/dbraw/zinc/15/91/26/168159126.db2.gz CVTKLSOOZUKGMU-PIOWNMBXSA-N 1 3 238.419 2.743 10 0 BFAEHO CC1CCC([N@H+](C)Cc2cc(CN)co2)CC1 ZINC000052345415 168160681 /nfs/dbraw/zinc/16/06/81/168160681.db2.gz RVHIDYQQMBXHJC-UHFFFAOYSA-N 1 3 236.359 2.749 10 0 BFAEHO CC1CCC([N@@H+](C)Cc2cc(CN)co2)CC1 ZINC000052345415 168160685 /nfs/dbraw/zinc/16/06/85/168160685.db2.gz RVHIDYQQMBXHJC-UHFFFAOYSA-N 1 3 236.359 2.749 10 0 BFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C1CC1)C1CC1 ZINC000054629707 170109405 /nfs/dbraw/zinc/10/94/05/170109405.db2.gz QYQFOHAUARFHJD-GOOCMWNKSA-N 1 3 248.414 2.780 10 0 BFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C1CC1)C1CC1 ZINC000054629707 170109407 /nfs/dbraw/zinc/10/94/07/170109407.db2.gz QYQFOHAUARFHJD-GOOCMWNKSA-N 1 3 248.414 2.780 10 0 BFAEHO CCNC[C@H](CC)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482220 170121990 /nfs/dbraw/zinc/12/19/90/170121990.db2.gz IQDAHEDMGIWYSN-ZNMIVQPWSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC[C@H](CC)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482220 170121992 /nfs/dbraw/zinc/12/19/92/170121992.db2.gz IQDAHEDMGIWYSN-ZNMIVQPWSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNCc1cc(C[N@H+](CC)C(C)C)c(C)o1 ZINC000052447043 170125635 /nfs/dbraw/zinc/12/56/35/170125635.db2.gz HJNKOZGZQXRNBI-UHFFFAOYSA-N 1 3 238.375 2.928 10 0 BFAEHO CCNCc1cc(C[N@@H+](CC)C(C)C)c(C)o1 ZINC000052447043 170125637 /nfs/dbraw/zinc/12/56/37/170125637.db2.gz HJNKOZGZQXRNBI-UHFFFAOYSA-N 1 3 238.375 2.928 10 0 BFAEHO CC[NH2+][C@@H]1CCCC[C@H]1CN1CCCCC1 ZINC000060743295 170150702 /nfs/dbraw/zinc/15/07/02/170150702.db2.gz ARWVMIXJKNEVSG-UONOGXRCSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CN(C)C ZINC000053864623 170152594 /nfs/dbraw/zinc/15/25/94/170152594.db2.gz PSYZYOURVHJHFB-MGPQQGTHSA-N 1 3 240.435 2.989 10 0 BFAEHO CCN[C@H]1CC[N@@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709158 170167263 /nfs/dbraw/zinc/16/72/63/170167263.db2.gz KSRQTBOKLHOSTC-RYUDHWBXSA-N 1 3 212.381 2.637 10 0 BFAEHO CCN[C@H]1CC[N@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709158 170167264 /nfs/dbraw/zinc/16/72/64/170167264.db2.gz KSRQTBOKLHOSTC-RYUDHWBXSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[NH2+][C@H]1CCN(C(C)(C)CC)[C@@H](C)C1 ZINC000049709158 170167266 /nfs/dbraw/zinc/16/72/66/170167266.db2.gz KSRQTBOKLHOSTC-RYUDHWBXSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[C@@H](CC(F)F)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000662266521 412057439 /nfs/dbraw/zinc/05/74/39/412057439.db2.gz ICIXVXLQVCYBIC-NWDGAFQWSA-N 1 3 248.361 2.742 10 0 BFAEHO CC[C@@H](CC(F)F)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000662266521 412057442 /nfs/dbraw/zinc/05/74/42/412057442.db2.gz ICIXVXLQVCYBIC-NWDGAFQWSA-N 1 3 248.361 2.742 10 0 BFAEHO CC[C@@H]1CC[N@H+](CC2CCCC2)C[C@H](C)CN1 ZINC000049666007 171009490 /nfs/dbraw/zinc/00/94/90/171009490.db2.gz AUBLUUPSGAJCQF-UKRRQHHQSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H](C)CN1 ZINC000049666007 171009495 /nfs/dbraw/zinc/00/94/95/171009495.db2.gz AUBLUUPSGAJCQF-UKRRQHHQSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@H]1CC[N@H+](CCC2CCCC2)CCN1 ZINC000049662254 171011119 /nfs/dbraw/zinc/01/11/19/171011119.db2.gz FBFRMQLXJVFIJT-CQSZACIVSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[C@@H]1CC[N@@H+](CCC2CCCC2)CCN1 ZINC000049662254 171011121 /nfs/dbraw/zinc/01/11/21/171011121.db2.gz FBFRMQLXJVFIJT-CQSZACIVSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[C@@H]1CCN(CCC2CCCC2)CC[NH2+]1 ZINC000049662254 171011124 /nfs/dbraw/zinc/01/11/24/171011124.db2.gz FBFRMQLXJVFIJT-CQSZACIVSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[C@@H]1CC[N@@H+]([C@@H](C)CC(C)C)CCCN1 ZINC000049666029 171014420 /nfs/dbraw/zinc/01/44/20/171014420.db2.gz XRZQWNVCKQPMGJ-UONOGXRCSA-N 1 3 226.408 2.885 10 0 BFAEHO CC[C@@H]1CC[N@H+]([C@@H](C)CC(C)C)CCCN1 ZINC000049666029 171014426 /nfs/dbraw/zinc/01/44/26/171014426.db2.gz XRZQWNVCKQPMGJ-UONOGXRCSA-N 1 3 226.408 2.885 10 0 BFAEHO CC[C@@]1(C[N@@H+]2CCC[C@H](C)CC2)CCCNC1 ZINC000104347650 171211681 /nfs/dbraw/zinc/21/16/81/171211681.db2.gz RXPVZGOMWBJCNY-LSDHHAIUSA-N 1 3 238.419 2.888 10 0 BFAEHO CC[C@@]1(C[N@H+]2CCC[C@H](C)CC2)CCCNC1 ZINC000104347650 171211683 /nfs/dbraw/zinc/21/16/83/171211683.db2.gz RXPVZGOMWBJCNY-LSDHHAIUSA-N 1 3 238.419 2.888 10 0 BFAEHO CCn1ccnc1Nc1ccccc1[C@H](C)[NH3+] ZINC000104314098 172228258 /nfs/dbraw/zinc/22/82/58/172228258.db2.gz JRQBSKBBSDJHNS-JTQLQIEISA-N 1 3 230.315 2.666 10 0 BFAEHO CNCC1(C[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000051208782 173337585 /nfs/dbraw/zinc/33/75/85/173337585.db2.gz HPJLEFFIOZNVSL-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCC1(C[N@H+]2CCCC[C@H]2C)CCCC1 ZINC000051208782 173337586 /nfs/dbraw/zinc/33/75/86/173337586.db2.gz HPJLEFFIOZNVSL-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[NH2+]CC1(CN2CCCC[C@H]2C)CCCC1 ZINC000051208782 173337587 /nfs/dbraw/zinc/33/75/87/173337587.db2.gz HPJLEFFIOZNVSL-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CNC[C@H]1CC[N@@H+](C2CCCCCCC2)C1 ZINC000053011167 173380986 /nfs/dbraw/zinc/38/09/86/173380986.db2.gz GERPPESXPQPPEZ-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CNC[C@H]1CC[N@H+](C2CCCCCCC2)C1 ZINC000053011167 173380987 /nfs/dbraw/zinc/38/09/87/173380987.db2.gz GERPPESXPQPPEZ-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCc1ccoc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052504329 173391329 /nfs/dbraw/zinc/39/13/29/173391329.db2.gz KOAKSURYJWUHJT-LLVKDONJSA-N 1 3 238.375 2.865 10 0 BFAEHO CNCc1ccoc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000052504329 173391330 /nfs/dbraw/zinc/39/13/30/173391330.db2.gz KOAKSURYJWUHJT-LLVKDONJSA-N 1 3 238.375 2.865 10 0 BFAEHO COc1ccc([C@@H](C)[NH3+])cc1CN1CCC[C@H]1C ZINC000037910701 175176418 /nfs/dbraw/zinc/17/64/18/175176418.db2.gz BGXYCGMTHLSBGY-VXGBXAGGSA-N 1 3 248.370 2.699 10 0 BFAEHO COc1ccc([C@@H]([NH3+])CCN2CCCCC2)cc1 ZINC000040542558 175179501 /nfs/dbraw/zinc/17/95/01/175179501.db2.gz ZQKQMDNUZMVIFL-HNNXBMFYSA-N 1 3 248.370 2.571 10 0 BFAEHO C[C@@H](c1ccccc1)N1C[C@H](C)C[NH2+]C[C@@H](C)C1 ZINC000049664313 176022007 /nfs/dbraw/zinc/02/20/07/176022007.db2.gz DSZMQSMVWBQXQJ-KFWWJZLASA-N 1 3 246.398 2.925 10 0 BFAEHO C[C@@H](c1ccccc1)[NH+]1C[C@H](C)CNC[C@@H](C)C1 ZINC000049664313 176022009 /nfs/dbraw/zinc/02/20/09/176022009.db2.gz DSZMQSMVWBQXQJ-KFWWJZLASA-N 1 3 246.398 2.925 10 0 BFAEHO C[C@@H]1CCCCN1CC[C@H]([NH3+])c1ccccc1 ZINC000037115948 176071913 /nfs/dbraw/zinc/07/19/13/176071913.db2.gz UKXKRYBHWCXACG-HIFRSBDPSA-N 1 3 232.371 2.951 10 0 BFAEHO C[C@@H]1CCCCN1Cc1cc(C[NH3+])ccc1F ZINC000019264377 176072978 /nfs/dbraw/zinc/07/29/78/176072978.db2.gz MVEOLZRCIOUBAP-LLVKDONJSA-N 1 3 236.334 2.659 10 0 BFAEHO C[C@@H]1CCC[C@@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000050910664 176133514 /nfs/dbraw/zinc/13/35/14/176133514.db2.gz GKJFGKSYIVOKJJ-CZUORRHYSA-N 1 3 244.382 2.910 10 0 BFAEHO C[C@@H]1CC[N@H+](CC2CCCCC2)CCCN1 ZINC000049666061 176168252 /nfs/dbraw/zinc/16/82/52/176168252.db2.gz BBCGJURSAZMECQ-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1CC[N@@H+](CC2CCCCC2)CCCN1 ZINC000049666061 176168254 /nfs/dbraw/zinc/16/82/54/176168254.db2.gz BBCGJURSAZMECQ-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@H](c1ccccc1)[N@@H+]1CCCNC(C)(C)C1 ZINC000062615849 177039122 /nfs/dbraw/zinc/03/91/22/177039122.db2.gz KIEUHGIACHLULJ-CYBMUJFWSA-N 1 3 232.371 2.822 10 0 BFAEHO C[C@H](c1ccccc1)[N@H+]1CCCNC(C)(C)C1 ZINC000062615849 177039124 /nfs/dbraw/zinc/03/91/24/177039124.db2.gz KIEUHGIACHLULJ-CYBMUJFWSA-N 1 3 232.371 2.822 10 0 BFAEHO C[C@H]1CCCN(Cc2cc(C[NH3+])ccc2F)C1 ZINC000019273873 177100006 /nfs/dbraw/zinc/10/00/06/177100006.db2.gz QUKUPNJEHXMGNN-NSHDSACASA-N 1 3 236.334 2.516 10 0 BFAEHO C[C@H]1CCCN([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055022339 177104155 /nfs/dbraw/zinc/10/41/55/177104155.db2.gz WBVLRGQANXTGQY-JSGCOSHPSA-N 1 3 245.370 2.786 10 0 BFAEHO C[C@H]1CC[N@@H+](C2(C)CCCCC2)CCCN1 ZINC000045046677 177156848 /nfs/dbraw/zinc/15/68/48/177156848.db2.gz RTEYGXDEADWAGZ-ZDUSSCGKSA-N 1 3 224.392 2.783 10 0 BFAEHO C[C@H]1CC[N@H+](C2(C)CCCCC2)CCCN1 ZINC000045046677 177156850 /nfs/dbraw/zinc/15/68/50/177156850.db2.gz RTEYGXDEADWAGZ-ZDUSSCGKSA-N 1 3 224.392 2.783 10 0 BFAEHO C[C@@H]1CC[N@H+](C2CCCCC2)CC[C@H](C)N1 ZINC000049665022 177157514 /nfs/dbraw/zinc/15/75/14/177157514.db2.gz MEBRLIDXNKXWCU-BETUJISGSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@@H]1CC[N@@H+](C2CCCCC2)CC[C@H](C)N1 ZINC000049665022 177157516 /nfs/dbraw/zinc/15/75/16/177157516.db2.gz MEBRLIDXNKXWCU-BETUJISGSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H]1CNCCC[N@H+](CCC2CCCCC2)C1 ZINC000049666933 177281918 /nfs/dbraw/zinc/28/19/18/177281918.db2.gz HKWXWNPYUKZITA-AWEZNQCLSA-N 1 3 238.419 2.888 10 0 BFAEHO C[C@H]1CNCCC[N@@H+](CCC2CCCCC2)C1 ZINC000049666933 177281919 /nfs/dbraw/zinc/28/19/19/177281919.db2.gz HKWXWNPYUKZITA-AWEZNQCLSA-N 1 3 238.419 2.888 10 0 BFAEHO C[C@H]1CNC[C@H](C)C[NH+](CCC2CCCC2)C1 ZINC000049666903 177285518 /nfs/dbraw/zinc/28/55/18/177285518.db2.gz DANFFYROHFOVGT-KBPBESRZSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CCCNC1 ZINC000571038375 323104339 /nfs/dbraw/zinc/10/43/39/323104339.db2.gz QEZBYLSMOGIXMX-STQMWFEESA-N 1 3 236.403 2.544 10 0 BFAEHO CC[C@H](C)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000567647055 326237868 /nfs/dbraw/zinc/23/78/68/326237868.db2.gz OXBRRSFJWIXVPX-IGQOVBAYSA-N 1 3 226.408 2.789 10 0 BFAEHO C[N@H+](CCC(C)(C)C1CC1)[C@H]1CCCNCC1 ZINC000406069675 487498835 /nfs/dbraw/zinc/49/88/35/487498835.db2.gz QQIKGOBKZSMEOK-AWEZNQCLSA-N 1 3 238.419 2.887 10 0 BFAEHO C[N@@H+](CCC(C)(C)C1CC1)[C@H]1CCCNCC1 ZINC000406069675 487498841 /nfs/dbraw/zinc/49/88/41/487498841.db2.gz QQIKGOBKZSMEOK-AWEZNQCLSA-N 1 3 238.419 2.887 10 0 BFAEHO C[N@H+](CCCC1CCC1)[C@H]1CCCNCC1 ZINC000662266944 487505177 /nfs/dbraw/zinc/50/51/77/487505177.db2.gz OLUZGHFIDSKKTN-AWEZNQCLSA-N 1 3 224.392 2.641 10 0 BFAEHO C[N@@H+](CCCC1CCC1)[C@H]1CCCNCC1 ZINC000662266944 487505181 /nfs/dbraw/zinc/50/51/81/487505181.db2.gz OLUZGHFIDSKKTN-AWEZNQCLSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCCN1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757123297 582498109 /nfs/dbraw/zinc/49/81/09/582498109.db2.gz ACXDYQKKBMQOMG-KBPBESRZSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757123297 582498112 /nfs/dbraw/zinc/49/81/12/582498112.db2.gz ACXDYQKKBMQOMG-KBPBESRZSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757123297 582498114 /nfs/dbraw/zinc/49/81/14/582498114.db2.gz ACXDYQKKBMQOMG-KBPBESRZSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000238855980 525418424 /nfs/dbraw/zinc/41/84/24/525418424.db2.gz UKWBVZXKIFQVBE-COMQUAJESA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238855980 525418432 /nfs/dbraw/zinc/41/84/32/525418432.db2.gz UKWBVZXKIFQVBE-COMQUAJESA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1[C@H]([NH3+])C[C@H](C)N(Cc2ccccc2)[C@H]1C ZINC000247859921 525703217 /nfs/dbraw/zinc/70/32/17/525703217.db2.gz ZJJABKUGECYXQM-PWNZVWSESA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H]1CCCCN1CC[C@@H]([NH3+])c1ccccc1 ZINC000020071579 526250229 /nfs/dbraw/zinc/25/02/29/526250229.db2.gz UKXKRYBHWCXACG-DZGCQCFKSA-N 1 3 232.371 2.951 10 0 BFAEHO CCc1ccccc1CN1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261591642 535936780 /nfs/dbraw/zinc/93/67/80/535936780.db2.gz XXIDEYNPIHUASX-HNNXBMFYSA-N 1 3 246.398 2.808 10 0 BFAEHO C[C@H]1C[NH2+]C[C@@]2(CCCN2CCC2CCC2)C1 ZINC000757126921 582501249 /nfs/dbraw/zinc/50/12/49/582501249.db2.gz HRRSUWBCXJKVMU-UKRRQHHQSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@H]1CNC[C@@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126921 582501251 /nfs/dbraw/zinc/50/12/51/582501251.db2.gz HRRSUWBCXJKVMU-UKRRQHHQSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@H]1CNC[C@@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126921 582501252 /nfs/dbraw/zinc/50/12/52/582501252.db2.gz HRRSUWBCXJKVMU-UKRRQHHQSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@@H](C1CCC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757127979 582503366 /nfs/dbraw/zinc/50/33/66/582503366.db2.gz ILBDTSFFOUFXBO-IPYPFGDCSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H](C1CCC1)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757127979 582503367 /nfs/dbraw/zinc/50/33/67/582503367.db2.gz ILBDTSFFOUFXBO-IPYPFGDCSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@@H](C1CCC1)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127979 582503369 /nfs/dbraw/zinc/50/33/69/582503369.db2.gz ILBDTSFFOUFXBO-IPYPFGDCSA-N 1 3 236.403 2.782 10 0 BFAEHO CC1(c2ccc([C@@H]3NCCC[C@H]3C[NH3+])cc2)CC1 ZINC000757217809 582561891 /nfs/dbraw/zinc/56/18/91/582561891.db2.gz SNPNOHNYQUHECQ-ZFWWWQNUSA-N 1 3 244.382 2.738 10 0 BFAEHO CC1(c2ccc([C@H]3CC[C@@H](C[NH3+])NC3)cc2)CC1 ZINC000757206766 586437571 /nfs/dbraw/zinc/43/75/71/586437571.db2.gz AMZXPDIZXMPEAZ-ZFWWWQNUSA-N 1 3 244.382 2.532 10 0 BFAEHO NC[C@H]1CCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000084217546 632637711 /nfs/dbraw/zinc/63/77/11/632637711.db2.gz RVXBCNOONLEFSA-TZMCWYRMSA-N 1 3 224.392 2.816 10 0 BFAEHO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084219041 643550298 /nfs/dbraw/zinc/55/02/98/643550298.db2.gz RDSPOQIQFFAZKA-YNEHKIRRSA-N 1 3 212.381 2.672 10 0 BFAEHO CCC1([NH3+])CCN([C@H]2CCC23CCCC3)CC1 ZINC000714758319 712497554 /nfs/dbraw/zinc/49/75/54/712497554.db2.gz FDFSUNGZDPOZKT-ZDUSSCGKSA-N 1 3 236.403 2.913 10 0 BFAEHO CC[C@@H]1CCC[C@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753664 712497994 /nfs/dbraw/zinc/49/79/94/712497994.db2.gz MYIOMZBFJGBKPS-CHWSQXEVSA-N 1 3 224.392 2.768 10 0 BFAEHO CCC1(N)CC[NH+]([C@H](C2CC2)C2CCC2)CC1 ZINC000714760175 712498647 /nfs/dbraw/zinc/49/86/47/712498647.db2.gz WEJOUAVEVVYOJN-AWEZNQCLSA-N 1 3 236.403 2.768 10 0 BFAEHO CCC(CC)(C[NH2+][C@H]1CCCNCC1)SC ZINC000232951472 168326891 /nfs/dbraw/zinc/32/68/91/168326891.db2.gz MXWDALPADOAPNC-LBPRGKRZSA-N 1 3 244.448 2.640 10 0 BFAEHO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](N2CCC[C@@H](C)C2)C1 ZINC000054554640 187272536 /nfs/dbraw/zinc/27/25/36/187272536.db2.gz NOSMDOVEVMYAGZ-APIJFGDWSA-N 1 3 238.419 2.870 10 0 BFAEHO CCCN1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226858495 534957261 /nfs/dbraw/zinc/95/72/61/534957261.db2.gz OIENUARUPLILPL-HOCLYGCPSA-N 1 3 246.398 2.897 10 0 BFAEHO C[C@H](CC[N@@H+]1C[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000634998188 345197508 /nfs/dbraw/zinc/19/75/08/345197508.db2.gz BZPYPQUNPPUBBJ-IJEWVQPXSA-N 1 3 246.398 2.707 10 0 BFAEHO C[C@H](CC[N@H+]1C[C@H](C)[C@H](CN)C1)c1ccccc1 ZINC000634998188 345197510 /nfs/dbraw/zinc/19/75/10/345197510.db2.gz BZPYPQUNPPUBBJ-IJEWVQPXSA-N 1 3 246.398 2.707 10 0 BFAEHO C[C@H]1CN(Cc2cccc(C3CC3)c2)C[C@H]1C[NH3+] ZINC000634999018 345199663 /nfs/dbraw/zinc/19/96/63/345199663.db2.gz OXEMMGOJBZQOGZ-BLLLJJGKSA-N 1 3 244.382 2.591 10 0 BFAEHO Cc1cccc(CN(C)C[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000053881031 179066313 /nfs/dbraw/zinc/06/63/13/179066313.db2.gz DSLPWEXLQZQVAO-GJZGRUSLSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1cccc(CN2C[C@H](C)C[NH2+]C[C@@H](C)C2)c1 ZINC000049666844 179085111 /nfs/dbraw/zinc/08/51/11/179085111.db2.gz SDLGIUUZUKNGPW-HUUCEWRRSA-N 1 3 246.398 2.672 10 0 BFAEHO Cc1cccc([C@H](C)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000193598514 179194676 /nfs/dbraw/zinc/19/46/76/179194676.db2.gz ITFATMKLVXPUOW-CWRNSKLLSA-N 1 3 244.382 2.549 10 0 BFAEHO Cc1cccc([C@H](C)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000193598514 179194679 /nfs/dbraw/zinc/19/46/79/179194679.db2.gz ITFATMKLVXPUOW-CWRNSKLLSA-N 1 3 244.382 2.549 10 0 BFAEHO C[C@H]1C[NH2+][C@@H](C)CCN(Cc2ccccc2)C1 ZINC000219631126 350134756 /nfs/dbraw/zinc/13/47/56/350134756.db2.gz GABDHTSDPPJYAT-KBPBESRZSA-N 1 3 232.371 2.507 10 0 BFAEHO CCN(CC)C1(c2ccccc2)CC[NH2+]CC1 ZINC000725267039 538096757 /nfs/dbraw/zinc/09/67/57/538096757.db2.gz BWGYJITYZJJLEN-UHFFFAOYSA-N 1 3 232.371 2.607 10 0 BFAEHO CN(C)[C@@H]1CCCCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304172 351562023 /nfs/dbraw/zinc/56/20/23/351562023.db2.gz QXYNAXVCGREYHQ-MELADBBJSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(F)(F)C(C)(C)CN[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000629531190 538107695 /nfs/dbraw/zinc/10/76/95/538107695.db2.gz CZJXSXUAHDILBA-GHMZBOCLSA-N 1 3 248.361 2.646 10 0 BFAEHO CC1CCC(C[NH2+]C2(C)CCNCC2)CC1 ZINC000335172120 354936541 /nfs/dbraw/zinc/93/65/41/354936541.db2.gz LRHNXDTTYXMZJL-UHFFFAOYSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@@H]([NH2+]CC1CCC(C)CC1)[C@H]1CCCNC1 ZINC000414865256 191606070 /nfs/dbraw/zinc/60/60/70/191606070.db2.gz ZFSBRRSUBTVNGI-JYVUQVBGSA-N 1 3 238.419 2.790 10 0 BFAEHO CC(C)(C)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564169 360256853 /nfs/dbraw/zinc/25/68/53/360256853.db2.gz BNOXOMPUBDSIEG-AWEZNQCLSA-N 1 3 238.419 2.983 10 0 BFAEHO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@@H]1CCCNC1 ZINC000629555337 361446114 /nfs/dbraw/zinc/44/61/14/361446114.db2.gz UZHWAXDTTAWGCE-MJBXVCDLSA-N 1 3 236.403 2.544 10 0 BFAEHO Cc1cccc(CC[NH2+][C@@H](C)[C@H]2CCCNC2)c1 ZINC000574544102 365087611 /nfs/dbraw/zinc/08/76/11/365087611.db2.gz IJJMSAVRSOCNKD-HOCLYGCPSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1cccc(CCN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000574544102 365087617 /nfs/dbraw/zinc/08/76/17/365087617.db2.gz IJJMSAVRSOCNKD-HOCLYGCPSA-N 1 3 246.398 2.515 10 0 BFAEHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H]1CN ZINC000386199706 367927203 /nfs/dbraw/zinc/92/72/03/367927203.db2.gz FMHQZWZMWOQWJM-AGIUHOORSA-N 1 3 226.408 2.918 10 0 BFAEHO CCC[N@@H+]1CC[C@H](N2CCCCC2)C[C@@H]1C ZINC000073655921 169209089 /nfs/dbraw/zinc/20/90/89/169209089.db2.gz VAUFFIPHKXVWES-KBPBESRZSA-N 1 3 224.392 2.735 10 0 BFAEHO CCC[N@H+]1CC[C@H](N2CCCCC2)C[C@@H]1C ZINC000073655921 169209090 /nfs/dbraw/zinc/20/90/90/169209090.db2.gz VAUFFIPHKXVWES-KBPBESRZSA-N 1 3 224.392 2.735 10 0 BFAEHO CCC[NH2+]C[C@@](C)(CC)CN(C)C[C@@H]1C[C@@H]1C ZINC000104409514 169263266 /nfs/dbraw/zinc/26/32/66/169263266.db2.gz YYUQJSYKJZVJBX-SOUVJXGZSA-N 1 3 240.435 2.990 10 0 BFAEHO CCC[NH2+]Cc1cc(CN(C)CCC)oc1C ZINC000052444454 169265863 /nfs/dbraw/zinc/26/58/63/169265863.db2.gz WNLLYOXBGUACMW-UHFFFAOYSA-N 1 3 238.375 2.929 10 0 BFAEHO c1ccc(CN2CCC[C@H]2C[C@@H]2CCC[NH2+]2)cc1 ZINC000096895235 183398975 /nfs/dbraw/zinc/39/89/75/183398975.db2.gz NDIHTTASYQLTEA-HOTGVXAUSA-N 1 3 244.382 2.793 10 0 BFAEHO CCC[NH2+][C@@H]1CCN(C2CCCC2)C[C@@H]1C ZINC000049709048 169281565 /nfs/dbraw/zinc/28/15/65/169281565.db2.gz NALICZQFXQLFQR-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[NH2+][C@H]1CCN(C2CCCC2)C[C@@H]1C ZINC000049709050 169291934 /nfs/dbraw/zinc/29/19/34/169291934.db2.gz NALICZQFXQLFQR-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@@H](C)C[C@H](CN)[C@@H]1CCCC[NH2+]1 ZINC000068591086 169361390 /nfs/dbraw/zinc/36/13/90/169361390.db2.gz PLFOILFTHVSCAK-UPJWGTAASA-N 1 3 212.381 2.530 10 0 BFAEHO CCCCN1CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858849 134370582 /nfs/dbraw/zinc/37/05/82/134370582.db2.gz WNEWJZZFUPXPLD-UONOGXRCSA-N 1 3 226.408 2.743 10 0 BFAEHO C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCCNC1 ZINC000580827669 384452753 /nfs/dbraw/zinc/45/27/53/384452753.db2.gz BYCGEUQXGZIRFF-HOCLYGCPSA-N 1 3 246.398 2.597 10 0 BFAEHO C[C@@H]1C[C@H]1c1ccc(CNC2CCC([NH3+])CC2)o1 ZINC000051692967 385259720 /nfs/dbraw/zinc/25/97/20/385259720.db2.gz JHODYCOSGAHIPX-MLCFOIATSA-N 1 3 248.370 2.763 10 0 BFAEHO C[C@H](CN)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000309319424 385532126 /nfs/dbraw/zinc/53/21/26/385532126.db2.gz GUMFHLACNOYZBK-JHJVBQTASA-N 1 3 226.408 2.776 10 0 BFAEHO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)CN ZINC000336677707 385611481 /nfs/dbraw/zinc/61/14/81/385611481.db2.gz QGRCNIRMWNJFIE-YIYPIFLZSA-N 1 3 226.408 2.632 10 0 BFAEHO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000414804850 386608523 /nfs/dbraw/zinc/60/85/23/386608523.db2.gz PDPCOSHNRAVDNW-MRVWCRGKSA-N 1 3 224.392 2.672 10 0 BFAEHO C[C@H](CC1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414820621 386667186 /nfs/dbraw/zinc/66/71/86/386667186.db2.gz AMRQLVZOMBZQCG-SQPSOYEMSA-N 1 3 236.403 2.828 10 0 BFAEHO CC(C)[C@@]1(N)CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575561934 387702260 /nfs/dbraw/zinc/70/22/60/387702260.db2.gz XBTFVRGKTNACEL-HIFRSBDPSA-N 1 3 232.371 2.634 10 0 BFAEHO CC(C)[C@@]1(N)CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575561934 387702267 /nfs/dbraw/zinc/70/22/67/387702267.db2.gz XBTFVRGKTNACEL-HIFRSBDPSA-N 1 3 232.371 2.634 10 0 BFAEHO CC(C)[C@@]1(N)CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575561939 387702859 /nfs/dbraw/zinc/70/28/59/387702859.db2.gz XBTFVRGKTNACEL-ZFWWWQNUSA-N 1 3 232.371 2.634 10 0 BFAEHO CC(C)[C@@]1(N)CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575561939 387702864 /nfs/dbraw/zinc/70/28/64/387702864.db2.gz XBTFVRGKTNACEL-ZFWWWQNUSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@@H]([NH2+]CC(C)(C)C1CCC1)[C@H]1CCCNC1 ZINC000643492777 388091315 /nfs/dbraw/zinc/09/13/15/388091315.db2.gz CYKDVBXPNMBJSU-OLZOCXBDSA-N 1 3 238.419 2.790 10 0 BFAEHO Cc1ccc([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000310865040 388489487 /nfs/dbraw/zinc/48/94/87/388489487.db2.gz DLAAMJIRXSZHNH-IJEWVQPXSA-N 1 3 246.398 2.973 10 0 BFAEHO Cc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CN)C2)cc1 ZINC000310865040 388489491 /nfs/dbraw/zinc/48/94/91/388489491.db2.gz DLAAMJIRXSZHNH-IJEWVQPXSA-N 1 3 246.398 2.973 10 0 BFAEHO Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311224662 388493974 /nfs/dbraw/zinc/49/39/74/388493974.db2.gz WLDDBJVXTMMBAB-IJEWVQPXSA-N 1 3 246.398 2.973 10 0 BFAEHO Cc1ccccc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000311224662 388493977 /nfs/dbraw/zinc/49/39/77/388493977.db2.gz WLDDBJVXTMMBAB-IJEWVQPXSA-N 1 3 246.398 2.973 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@@H]1CCCNC1 ZINC000516642933 388512356 /nfs/dbraw/zinc/51/23/56/388512356.db2.gz FFBNNZOOHFHRBZ-YNEHKIRRSA-N 1 3 224.392 2.543 10 0 BFAEHO CC(C)CC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CC1 ZINC000565827696 388971426 /nfs/dbraw/zinc/97/14/26/388971426.db2.gz AWYJYXFBCYJUGD-KGLIPLIRSA-N 1 3 238.419 2.790 10 0 BFAEHO CC(C)CC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000565827697 388971584 /nfs/dbraw/zinc/97/15/84/388971584.db2.gz AWYJYXFBCYJUGD-UONOGXRCSA-N 1 3 238.419 2.790 10 0 BFAEHO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000251444547 135069946 /nfs/dbraw/zinc/06/99/46/135069946.db2.gz WDPMWJIGVIMLKT-AVGNSLFASA-N 1 3 212.381 2.528 10 0 BFAEHO C[C@@H](c1ccccc1)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000259354008 135142609 /nfs/dbraw/zinc/14/26/09/135142609.db2.gz UAHOWZBUNOIXKT-JSGCOSHPSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N)C(C)(C)C1 ZINC000259354008 135142610 /nfs/dbraw/zinc/14/26/10/135142610.db2.gz UAHOWZBUNOIXKT-JSGCOSHPSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N)C(C)(C)C1 ZINC000259354008 135142611 /nfs/dbraw/zinc/14/26/11/135142611.db2.gz UAHOWZBUNOIXKT-JSGCOSHPSA-N 1 3 232.371 2.807 10 0 BFAEHO Cc1cccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)c1C ZINC000261560316 135201407 /nfs/dbraw/zinc/20/14/07/135201407.db2.gz FGWWQTGMBMYWOQ-OAHLLOKOSA-N 1 3 246.398 2.863 10 0 BFAEHO C[C@@H]([NH3+])[C@@H](C)N[C@H](C)Cc1cccc(Cl)c1 ZINC000261568744 135210834 /nfs/dbraw/zinc/21/08/34/135210834.db2.gz FVAJGIBVOIOGBB-GMTAPVOTSA-N 1 3 240.778 2.596 10 0 BFAEHO C[C@@H](C[N@@H+]1CC[C@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568839 135210955 /nfs/dbraw/zinc/21/09/55/135210955.db2.gz JMCRWYANAIOYDP-ZFWWWQNUSA-N 1 3 246.398 2.849 10 0 BFAEHO C[C@@H](C[N@H+]1CC[C@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568839 135210956 /nfs/dbraw/zinc/21/09/56/135210956.db2.gz JMCRWYANAIOYDP-ZFWWWQNUSA-N 1 3 246.398 2.849 10 0 BFAEHO C[C@H](C[N@@H+]1CC[C@@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568838 135211775 /nfs/dbraw/zinc/21/17/75/135211775.db2.gz JMCRWYANAIOYDP-UKRRQHHQSA-N 1 3 246.398 2.849 10 0 BFAEHO C[C@H](C[N@H+]1CC[C@@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568838 135211776 /nfs/dbraw/zinc/21/17/76/135211776.db2.gz JMCRWYANAIOYDP-UKRRQHHQSA-N 1 3 246.398 2.849 10 0 BFAEHO C[C@@H](Cc1cccc(Cl)c1)NCC(C)(C)[NH3+] ZINC000261598545 135237109 /nfs/dbraw/zinc/23/71/09/135237109.db2.gz ZPZIFGKNBPKPQK-JTQLQIEISA-N 1 3 240.778 2.598 10 0 BFAEHO CC(C)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000053649053 167114990 /nfs/dbraw/zinc/11/49/90/167114990.db2.gz ZSXDFRBXMOTWMS-CQSZACIVSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC000053649053 167114991 /nfs/dbraw/zinc/11/49/91/167114991.db2.gz ZSXDFRBXMOTWMS-CQSZACIVSA-N 1 3 224.392 2.639 10 0 BFAEHO Cc1cc(N(C)CC(C)(C)[NH3+])c2ccccc2n1 ZINC000656609545 411308884 /nfs/dbraw/zinc/30/88/84/411308884.db2.gz PSMIBUXAECXYKZ-UHFFFAOYSA-N 1 3 243.354 2.717 10 0 BFAEHO CC1CCC(C)([NH2+]C[C@H]2CCCNC2)CC1 ZINC000336409291 168150636 /nfs/dbraw/zinc/15/06/36/168150636.db2.gz GCCQYGPXAZYUAA-MOKVOYLWSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@@H](C[NH2+]CC1CCC(C)CC1)CN(C)C ZINC000336694453 168155073 /nfs/dbraw/zinc/15/50/73/168155073.db2.gz YBWPVSGMCHAHMR-MOKVOYLWSA-N 1 3 226.408 2.600 10 0 BFAEHO CC1CCC([NH+]2C[C@@H](C)CNC[C@H](C)C2)CC1 ZINC000049665448 168159113 /nfs/dbraw/zinc/15/91/13/168159113.db2.gz CVTKLSOOZUKGMU-GQKFXUNGSA-N 1 3 238.419 2.743 10 0 BFAEHO CCC(C)(C)[N@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000049664990 168287592 /nfs/dbraw/zinc/28/75/92/168287592.db2.gz JSKUMFPFCSZXFU-TXEJJXNPSA-N 1 3 212.381 2.637 10 0 BFAEHO CCC(C)(C)[N@@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000049664990 168287595 /nfs/dbraw/zinc/28/75/95/168287595.db2.gz JSKUMFPFCSZXFU-TXEJJXNPSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[NH2+]C1CCN(C2CCCCCC2)CC1 ZINC000037242446 170108277 /nfs/dbraw/zinc/10/82/77/170108277.db2.gz BCCLRDJMSSPQDK-UHFFFAOYSA-N 1 3 224.392 2.783 10 0 BFAEHO CCNC1CC[NH+](C2CCCCCC2)CC1 ZINC000037242446 170108278 /nfs/dbraw/zinc/10/82/78/170108278.db2.gz BCCLRDJMSSPQDK-UHFFFAOYSA-N 1 3 224.392 2.783 10 0 BFAEHO CC[NH2+]CCCN(Cc1ccccc1)C(C)C ZINC000042409383 170112446 /nfs/dbraw/zinc/11/24/46/170112446.db2.gz KSRYJUWUXASBKQ-UHFFFAOYSA-N 1 3 234.387 2.897 10 0 BFAEHO CC[NH2+]CC[C@@H](C)N(CC)Cc1ccccc1 ZINC000052443830 170116659 /nfs/dbraw/zinc/11/66/59/170116659.db2.gz FYXBIKDXMRGDPO-CQSZACIVSA-N 1 3 234.387 2.897 10 0 BFAEHO CC[NH2+][C@@H]1CCCCC[C@H]1CN(C)CC1CC1 ZINC000053870083 170150888 /nfs/dbraw/zinc/15/08/88/170150888.db2.gz AVFICXIWBNALKF-LSDHHAIUSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+][C@H]1CCCCC[C@H]1CN1CCCC1 ZINC000053861132 170165587 /nfs/dbraw/zinc/16/55/87/170165587.db2.gz YHNSNKMJJBLACO-KBPBESRZSA-N 1 3 224.392 2.641 10 0 BFAEHO CCN[C@H]1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000053861964 170166881 /nfs/dbraw/zinc/16/68/81/170166881.db2.gz FGPLVNFIIRPPHQ-KBPBESRZSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1CN(C)CC(C)C ZINC000053865786 170168813 /nfs/dbraw/zinc/16/88/13/170168813.db2.gz QZVNIKRUZZBBNN-ZNMIVQPWSA-N 1 3 240.435 2.989 10 0 BFAEHO CC[C@@H]1CC[N@@H+](C2CCCC2)C[C@H](C)CN1 ZINC000049664891 171009945 /nfs/dbraw/zinc/00/99/45/171009945.db2.gz DXOQOSUVVXPWPI-CHWSQXEVSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[C@@H]1CC[N@H+](C2CCCC2)C[C@H](C)CN1 ZINC000049664891 171009948 /nfs/dbraw/zinc/00/99/48/171009948.db2.gz DXOQOSUVVXPWPI-CHWSQXEVSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](CN(C)CC2CC2)C1 ZINC000053869993 171040258 /nfs/dbraw/zinc/04/02/58/171040258.db2.gz PBBOMSOPFMUFQX-VHDGCEQUSA-N 1 3 238.419 2.743 10 0 BFAEHO CC[C@@H]1CC[C@@H]([NH2+]C)[C@H](CN2CCCCC2)C1 ZINC000053862470 171040348 /nfs/dbraw/zinc/04/03/48/171040348.db2.gz JOHHGKRFYOLAML-QLFBSQMISA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@H]1CC[C@H](N)[C@H](C[N@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104406842 171055671 /nfs/dbraw/zinc/05/56/71/171055671.db2.gz NEGJNHYUXLQWIJ-AICCOOGYSA-N 1 3 238.419 2.728 10 0 BFAEHO CC[C@@H]1CC[C@H](N)[C@H](C[N@@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104406842 171055673 /nfs/dbraw/zinc/05/56/73/171055673.db2.gz NEGJNHYUXLQWIJ-AICCOOGYSA-N 1 3 238.419 2.728 10 0 BFAEHO CC[C@@H]1CC[C@H]([NH2+]C)[C@H](CN(C)CC2CC2)C1 ZINC000053869989 171056111 /nfs/dbraw/zinc/05/61/11/171056111.db2.gz PBBOMSOPFMUFQX-SNPRPXQTSA-N 1 3 238.419 2.743 10 0 BFAEHO CC[C@@](C)(CNC1CC1)C[N@H+](C)[C@@H](C)C1CC1 ZINC000051217608 171167284 /nfs/dbraw/zinc/16/72/84/171167284.db2.gz XNWKIPZUSUDGED-WFASDCNBSA-N 1 3 238.419 2.885 10 0 BFAEHO CC[C@@](C)(CNC1CC1)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000051217608 171167285 /nfs/dbraw/zinc/16/72/85/171167285.db2.gz XNWKIPZUSUDGED-WFASDCNBSA-N 1 3 238.419 2.885 10 0 BFAEHO C[NH2+]CC1(CN2CCCCC2)CCCCC1 ZINC000051211113 173337388 /nfs/dbraw/zinc/33/73/88/173337388.db2.gz HDYCBOKQBXRXOT-UHFFFAOYSA-N 1 3 224.392 2.642 10 0 BFAEHO CNC[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000040591855 173368285 /nfs/dbraw/zinc/36/82/85/173368285.db2.gz QUDLDGUZKITGTH-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CNC[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000040591855 173368286 /nfs/dbraw/zinc/36/82/86/173368286.db2.gz QUDLDGUZKITGTH-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CNC[C@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000040591858 173379358 /nfs/dbraw/zinc/37/93/58/173379358.db2.gz QUDLDGUZKITGTH-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CNC[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000040591858 173379360 /nfs/dbraw/zinc/37/93/60/173379360.db2.gz QUDLDGUZKITGTH-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[NH2+]Cc1c2ccccc2oc1CN1CCCC1 ZINC000052377502 173385072 /nfs/dbraw/zinc/38/50/72/173385072.db2.gz HVHBGPMHXMUXMB-UHFFFAOYSA-N 1 3 244.338 2.748 10 0 BFAEHO CNCc1ccoc1C[N@H+](CC(C)C)C(C)C ZINC000052572548 173391492 /nfs/dbraw/zinc/39/14/92/173391492.db2.gz JMIAEIHVBQEMAL-UHFFFAOYSA-N 1 3 238.375 2.865 10 0 BFAEHO CNCc1ccoc1C[N@@H+](CC(C)C)C(C)C ZINC000052572548 173391493 /nfs/dbraw/zinc/39/14/93/173391493.db2.gz JMIAEIHVBQEMAL-UHFFFAOYSA-N 1 3 238.375 2.865 10 0 BFAEHO COc1ccc([C@@H](C)[NH3+])cc1CN(C)C(C)C ZINC000037642142 175176331 /nfs/dbraw/zinc/17/63/31/175176331.db2.gz POPBHILPBBEJNJ-LLVKDONJSA-N 1 3 236.359 2.555 10 0 BFAEHO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCC[C@@H]1N ZINC000053861509 176073202 /nfs/dbraw/zinc/07/32/02/176073202.db2.gz SHZMGOOGBKOOAC-RDBSUJKOSA-N 1 3 224.392 2.768 10 0 BFAEHO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCC[C@@H]1N ZINC000053861509 176073204 /nfs/dbraw/zinc/07/32/04/176073204.db2.gz SHZMGOOGBKOOAC-RDBSUJKOSA-N 1 3 224.392 2.768 10 0 BFAEHO C[C@@H]1CC[NH+](C2CCCCC2)CC[C@@H](C)N1 ZINC000049665025 176167685 /nfs/dbraw/zinc/16/76/85/176167685.db2.gz MEBRLIDXNKXWCU-CHWSQXEVSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@@H]1CC[N@H+](CC(C)(C)CNC2CC2)[C@H](C)C1 ZINC000051748533 176169142 /nfs/dbraw/zinc/16/91/42/176169142.db2.gz GQYXHHVUFOXRHA-CHWSQXEVSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1CC[N@@H+](CC(C)(C)CNC2CC2)[C@H](C)C1 ZINC000051748533 176169143 /nfs/dbraw/zinc/16/91/43/176169143.db2.gz GQYXHHVUFOXRHA-CHWSQXEVSA-N 1 3 238.419 2.885 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/nfs/dbraw/zinc/91/57/13/344915713.db2.gz DCKBAZAOUYNTDR-DZGCQCFKSA-N 1 3 232.371 2.649 10 0 BFAEHO CCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000635020832 345223253 /nfs/dbraw/zinc/22/32/53/345223253.db2.gz MKRYVSONZKWAMX-STQMWFEESA-N 1 3 226.408 2.790 10 0 BFAEHO CC1(C)CCC[C@H]1C[NH2+][C@H]1CCCNCC1 ZINC000335637385 345432059 /nfs/dbraw/zinc/43/20/59/345432059.db2.gz ZYYOPVLILCRTTI-STQMWFEESA-N 1 3 224.392 2.544 10 0 BFAEHO Cc1cccc(CN(C)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000053859845 179066792 /nfs/dbraw/zinc/06/67/92/179066792.db2.gz KEZCQOLMLFWKRB-CVEARBPZSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1cccc([C@H]([C@@H](C)[NH3+])N2CC[C@H](C)C2)c1 ZINC000042966807 179203372 /nfs/dbraw/zinc/20/33/72/179203372.db2.gz ZDNUGBYZIWRPSM-GUTXKFCHSA-N 1 3 232.371 2.725 10 0 BFAEHO Cc1cccc2c(NCC[NH+](C)C)ccnc12 ZINC000301952914 179212037 /nfs/dbraw/zinc/21/20/37/179212037.db2.gz HOBIMVGUJZTPKA-UHFFFAOYSA-N 1 3 229.327 2.517 10 0 BFAEHO Cc1ccccc1CN(C)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000053859355 179270511 /nfs/dbraw/zinc/27/05/11/179270511.db2.gz BQHBBXURGOWSDM-CVEARBPZSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@H+](C)C1 ZINC000037646082 179321384 /nfs/dbraw/zinc/32/13/84/179321384.db2.gz LPERBAKPRKQMBQ-ZIAGYGMSSA-N 1 3 232.371 2.597 10 0 BFAEHO Cc1ccccc1[C@@H](C)NC[C@H]1CC[N@@H+](C)C1 ZINC000037646082 179321387 /nfs/dbraw/zinc/32/13/87/179321387.db2.gz LPERBAKPRKQMBQ-ZIAGYGMSSA-N 1 3 232.371 2.597 10 0 BFAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000163037942 350495911 /nfs/dbraw/zinc/49/59/11/350495911.db2.gz SPQGVUIXAAMLHJ-UONOGXRCSA-N 1 3 248.370 2.901 10 0 BFAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000163037942 350495914 /nfs/dbraw/zinc/49/59/14/350495914.db2.gz SPQGVUIXAAMLHJ-UONOGXRCSA-N 1 3 248.370 2.901 10 0 BFAEHO Cc1ccc(C)c([C@H](C)N2CCC([NH3+])CC2)c1 ZINC000034958712 351362139 /nfs/dbraw/zinc/36/21/39/351362139.db2.gz LGVKMCURYHPABF-ZDUSSCGKSA-N 1 3 232.371 2.788 10 0 BFAEHO CCC(F)(F)C(C)(C)CN[C@H](C)[C@H]1CC[NH2+]C1 ZINC000629531191 538107660 /nfs/dbraw/zinc/10/76/60/538107660.db2.gz CZJXSXUAHDILBA-MNOVXSKESA-N 1 3 248.361 2.646 10 0 BFAEHO CCc1ccc([C@@H](CC)[N@@H+]2CCCNCC2)cc1 ZINC000022098015 188109416 /nfs/dbraw/zinc/10/94/16/188109416.db2.gz RUDSHZAIRGBZMJ-MRXNPFEDSA-N 1 3 246.398 2.995 10 0 BFAEHO CCc1ccc([C@@H](CC)[N@H+]2CCCNCC2)cc1 ZINC000022098015 188109418 /nfs/dbraw/zinc/10/94/18/188109418.db2.gz RUDSHZAIRGBZMJ-MRXNPFEDSA-N 1 3 246.398 2.995 10 0 BFAEHO CN[C@@H]1CC[N@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710738 188125726 /nfs/dbraw/zinc/12/57/26/188125726.db2.gz URPUGKVVLVXPLK-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CN[C@@H]1CC[N@@H+](CC2CCCCC2)[C@H](C)C1 ZINC000049710738 188125727 /nfs/dbraw/zinc/12/57/27/188125727.db2.gz URPUGKVVLVXPLK-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO C[NH2+][C@@H]1CCN(CC2CCCCC2)[C@H](C)C1 ZINC000049710738 188125728 /nfs/dbraw/zinc/12/57/28/188125728.db2.gz URPUGKVVLVXPLK-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@H]1C[C@@H](N)[C@H]([N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252474132 363304902 /nfs/dbraw/zinc/30/49/02/363304902.db2.gz ZGWOISNBEOJKJB-OCVGTWLNSA-N 1 3 246.398 2.880 10 0 BFAEHO C[C@H]1C[C@@H](N)[C@H]([N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252474132 363304910 /nfs/dbraw/zinc/30/49/10/363304910.db2.gz ZGWOISNBEOJKJB-OCVGTWLNSA-N 1 3 246.398 2.880 10 0 BFAEHO CC(C)[NH2+]C[C@@H](CN)C1CCCCCC1 ZINC000685946077 538887651 /nfs/dbraw/zinc/88/76/51/538887651.db2.gz DBAJOOBSICMRTF-CYBMUJFWSA-N 1 3 212.381 2.530 10 0 BFAEHO CC[C@H]1CC[C@H](CCN2CCCCC2)[N@H+](C)C1 ZINC000584652402 358307522 /nfs/dbraw/zinc/30/75/22/358307522.db2.gz JOLHHPBOZQCLKE-LSDHHAIUSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@H]1CC[C@H](CCN2CCCCC2)[N@@H+](C)C1 ZINC000584652402 358307524 /nfs/dbraw/zinc/30/75/24/358307524.db2.gz JOLHHPBOZQCLKE-LSDHHAIUSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@H]1CC[C@H](CC[NH+]2CCCCC2)N(C)C1 ZINC000584652402 358307526 /nfs/dbraw/zinc/30/75/26/358307526.db2.gz JOLHHPBOZQCLKE-LSDHHAIUSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@@H]1CC[C@@H](CCN2CCCCC2)[N@H+](C)C1 ZINC000584652389 358307739 /nfs/dbraw/zinc/30/77/39/358307739.db2.gz JOLHHPBOZQCLKE-CABCVRRESA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@@H]1CC[C@@H](CCN2CCCCC2)[N@@H+](C)C1 ZINC000584652389 358307741 /nfs/dbraw/zinc/30/77/41/358307741.db2.gz JOLHHPBOZQCLKE-CABCVRRESA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@@H]1CC[C@@H](CC[NH+]2CCCCC2)N(C)C1 ZINC000584652389 358307743 /nfs/dbraw/zinc/30/77/43/358307743.db2.gz JOLHHPBOZQCLKE-CABCVRRESA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCNC1)C1CCCC1 ZINC000579461685 366813596 /nfs/dbraw/zinc/81/35/96/366813596.db2.gz QIZUZAXINAOLOP-QEJZJMRPSA-N 1 3 238.419 2.933 10 0 BFAEHO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCNC1)C1CCCC1 ZINC000579461684 366813330 /nfs/dbraw/zinc/81/33/30/366813330.db2.gz QIZUZAXINAOLOP-CFVMTHIKSA-N 1 3 238.419 2.933 10 0 BFAEHO NC1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000036754368 181343964 /nfs/dbraw/zinc/34/39/64/181343964.db2.gz DHFFGIQPNLVOPO-UHFFFAOYSA-N 1 3 248.414 2.626 10 0 BFAEHO [NH3+]C1CCN(CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000036754368 181343966 /nfs/dbraw/zinc/34/39/66/181343966.db2.gz DHFFGIQPNLVOPO-UHFFFAOYSA-N 1 3 248.414 2.626 10 0 BFAEHO NC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCc2ccccc21 ZINC000040749083 181345397 /nfs/dbraw/zinc/34/53/97/181345397.db2.gz XGAPODSQPJDDHI-HUORLRHWSA-N 1 3 242.366 2.628 10 0 BFAEHO NC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2ccccc21 ZINC000040749083 181345399 /nfs/dbraw/zinc/34/53/99/181345399.db2.gz XGAPODSQPJDDHI-HUORLRHWSA-N 1 3 242.366 2.628 10 0 BFAEHO [NH3+]CCCNCc1ccc(-c2ccccc2)cc1 ZINC000037713085 181383493 /nfs/dbraw/zinc/38/34/93/181383493.db2.gz QMJJCFVESOVLOC-UHFFFAOYSA-N 1 3 240.350 2.792 10 0 BFAEHO Cc1cccc(CC[NH2+][C@@H](C)[C@@H]2CCCNC2)c1 ZINC000574544101 365087705 /nfs/dbraw/zinc/08/77/05/365087705.db2.gz IJJMSAVRSOCNKD-GOEBONIOSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1cccc(CCN[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000574544101 365087711 /nfs/dbraw/zinc/08/77/11/365087711.db2.gz IJJMSAVRSOCNKD-GOEBONIOSA-N 1 3 246.398 2.515 10 0 BFAEHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000581661301 367663017 /nfs/dbraw/zinc/66/30/17/367663017.db2.gz KOVZJDLXWJDAPW-MQYQWHSLSA-N 1 3 224.392 2.543 10 0 BFAEHO C[C@H]([NH2+]CC1C(C)(C)C1(C)C)[C@@H]1CCCNC1 ZINC000567639653 326236652 /nfs/dbraw/zinc/23/66/52/326236652.db2.gz GIMJQMBYOPRKKV-NWDGAFQWSA-N 1 3 238.419 2.646 10 0 BFAEHO C[C@H]1CN(Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000631836979 372625086 /nfs/dbraw/zinc/62/50/86/372625086.db2.gz KXFDQYXSAQEBNU-LRDDRELGSA-N 1 3 244.382 2.591 10 0 BFAEHO CCCN(C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1[NH2+]C ZINC000054559755 169079072 /nfs/dbraw/zinc/07/90/72/169079072.db2.gz HMRAXKUAVISOPQ-ILXRZTDVSA-N 1 3 240.435 2.989 10 0 BFAEHO CCC[NH2+][C@H](C)[C@H]1CCCN(CC(C)C)C1 ZINC000082646687 169286696 /nfs/dbraw/zinc/28/66/96/169286696.db2.gz RDANJHDVDQPYMF-KGLIPLIRSA-N 1 3 226.408 2.743 10 0 BFAEHO CCC[NH2+][C@H]1CCN(C2CCCC2)[C@H](C)C1 ZINC000049709074 169291874 /nfs/dbraw/zinc/29/18/74/169291874.db2.gz RBFDYLAROWNTTC-OLZOCXBDSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[NH2+][C@H]1CCN(CC2CCCC2)C[C@@H]1C ZINC000049710673 169292148 /nfs/dbraw/zinc/29/21/48/169292148.db2.gz HYKRTIHJLXRSQA-ZFWWWQNUSA-N 1 3 238.419 2.887 10 0 BFAEHO C[C@H]([NH2+][C@H]1CC[C@@H](N(C)C)C1)c1cccs1 ZINC000222740534 134334321 /nfs/dbraw/zinc/33/43/21/134334321.db2.gz KAKMUGLLYAQKSX-SDDRHHMPSA-N 1 3 238.400 2.881 10 0 BFAEHO Cc1csc(CN[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000518513970 383974318 /nfs/dbraw/zinc/97/43/18/383974318.db2.gz AENGBGBWDVJCTL-NEPJUHHUSA-N 1 3 238.400 2.534 10 0 BFAEHO C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCCNC1 ZINC000580827667 384453406 /nfs/dbraw/zinc/45/34/06/384453406.db2.gz BYCGEUQXGZIRFF-GDBMZVCRSA-N 1 3 246.398 2.597 10 0 BFAEHO C[C@H]1C[C@@H]1c1ccc(CNC2CCC([NH3+])CC2)o1 ZINC000051692965 385258504 /nfs/dbraw/zinc/25/85/04/385258504.db2.gz JHODYCOSGAHIPX-BBCYWQGDSA-N 1 3 248.370 2.763 10 0 BFAEHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@@H]1CCCCC1(F)F ZINC000405346061 385507887 /nfs/dbraw/zinc/50/78/87/385507887.db2.gz GKTGPRSRDYGXQV-HBNTYKKESA-N 1 3 246.345 2.527 10 0 BFAEHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@@H]1CCCCC1(F)F ZINC000405346056 385508070 /nfs/dbraw/zinc/50/80/70/385508070.db2.gz GKTGPRSRDYGXQV-AXFHLTTASA-N 1 3 246.345 2.527 10 0 BFAEHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@H]1CN ZINC000414804852 386608553 /nfs/dbraw/zinc/60/85/53/386608553.db2.gz PDPCOSHNRAVDNW-XBFCOCLRSA-N 1 3 224.392 2.672 10 0 BFAEHO Cc1ccc(F)c([C@@H](N)CCC[NH3+])c1Cl ZINC000575438207 387108700 /nfs/dbraw/zinc/10/87/00/387108700.db2.gz DWNKNMGKUDVBMG-VIFPVBQESA-N 1 3 230.714 2.526 10 0 BFAEHO N[C@@H](CCCC[NH3+])c1c(F)cc(Cl)cc1F ZINC000575438429 387129208 /nfs/dbraw/zinc/12/92/08/387129208.db2.gz IWHHFKYSSHNNOI-JTQLQIEISA-N 1 3 248.704 2.747 10 0 BFAEHO C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCNC1 ZINC000516450397 387509880 /nfs/dbraw/zinc/50/98/80/387509880.db2.gz KQFGGHFRCDDPCV-ZFWWWQNUSA-N 1 3 236.403 2.855 10 0 BFAEHO C[C@H](NC1CC(c2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000422970195 387818464 /nfs/dbraw/zinc/81/84/64/387818464.db2.gz VTAFTXFBEFAEMI-UUNGTBAKSA-N 1 3 244.382 2.520 10 0 BFAEHO C[C@@H](NCC(C)(C)c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400517283 533354207 /nfs/dbraw/zinc/35/42/07/533354207.db2.gz GLZSQALILQXJRR-ZIAGYGMSSA-N 1 3 246.398 2.552 10 0 BFAEHO CCN(CC)[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000226861320 134370237 /nfs/dbraw/zinc/37/02/37/134370237.db2.gz LWUAACCWAQBDEE-UONOGXRCSA-N 1 3 226.408 2.837 10 0 BFAEHO CCN(CC)[C@@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000226861320 134370238 /nfs/dbraw/zinc/37/02/38/134370238.db2.gz LWUAACCWAQBDEE-UONOGXRCSA-N 1 3 226.408 2.837 10 0 BFAEHO CCCC[N@@H+]1CC[C@@H](N2CCCCC2)[C@@H](C)C1 ZINC000226858791 134370382 /nfs/dbraw/zinc/37/03/82/134370382.db2.gz SPNCBOUPTILNOT-LSDHHAIUSA-N 1 3 238.419 2.983 10 0 BFAEHO CCCC[N@H+]1CC[C@@H](N2CCCCC2)[C@@H](C)C1 ZINC000226858791 134370383 /nfs/dbraw/zinc/37/03/83/134370383.db2.gz SPNCBOUPTILNOT-LSDHHAIUSA-N 1 3 238.419 2.983 10 0 BFAEHO C[C@H](N)[C@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693669 135074726 /nfs/dbraw/zinc/07/47/26/135074726.db2.gz HIGOYBITTZSPDV-QPSCCSFWSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@H](N)[C@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693669 135074727 /nfs/dbraw/zinc/07/47/27/135074727.db2.gz HIGOYBITTZSPDV-QPSCCSFWSA-N 1 3 238.419 2.872 10 0 BFAEHO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](C)N)s1 ZINC000261566880 135208263 /nfs/dbraw/zinc/20/82/63/135208263.db2.gz DRKXFBJWCKEANS-MWLCHTKSSA-N 1 3 224.373 2.541 10 0 BFAEHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](C)N)s1 ZINC000261566880 135208265 /nfs/dbraw/zinc/20/82/65/135208265.db2.gz DRKXFBJWCKEANS-MWLCHTKSSA-N 1 3 224.373 2.541 10 0 BFAEHO CC(C)[C@H](N[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517493 398118834 /nfs/dbraw/zinc/11/88/34/398118834.db2.gz GNQXTUZAQKUBIC-BPUTZDHNSA-N 1 3 246.398 2.971 10 0 BFAEHO CC(C)C[NH2+]CC[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000052420951 167004940 /nfs/dbraw/zinc/00/49/40/167004940.db2.gz BNUXTBRAKNBPAZ-ZNMIVQPWSA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)CNC[C@@H](C)C[N@H+](CC1CC1)C(C)C ZINC000052345723 167005021 /nfs/dbraw/zinc/00/50/21/167005021.db2.gz SKNBETLMPXMMTG-CQSZACIVSA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)CNC[C@@H](C)C[N@@H+](CC1CC1)C(C)C ZINC000052345723 167005024 /nfs/dbraw/zinc/00/50/24/167005024.db2.gz SKNBETLMPXMMTG-CQSZACIVSA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)C[NH2+]C[C@H](C)CN1CCC[C@@H](C)[C@H]1C ZINC000052373248 167006155 /nfs/dbraw/zinc/00/61/55/167006155.db2.gz CKTZOVZSTKSEAH-RRFJBIMHSA-N 1 3 240.435 2.989 10 0 BFAEHO CC(C)[C@@H](C)N(C)Cc1ccc(C[NH3+])cc1F ZINC000036786639 167367492 /nfs/dbraw/zinc/36/74/92/167367492.db2.gz ANZZVRWARWKLOV-LLVKDONJSA-N 1 3 238.350 2.761 10 0 BFAEHO C[C@@H]1CNC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000401884591 411168105 /nfs/dbraw/zinc/16/81/05/411168105.db2.gz SHCYALFQCHZXNI-BJJXKVORSA-N 1 3 244.382 2.652 10 0 BFAEHO CC1CCC(C[N@@H+]2CC[C@H](N)C[C@@H]2C)CC1 ZINC000063145755 411343149 /nfs/dbraw/zinc/34/31/49/411343149.db2.gz XSAGVPKPGGNXRG-YIOUJQMASA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC(C[N@H+]2CC[C@H](N)C[C@@H]2C)CC1 ZINC000063145755 411343151 /nfs/dbraw/zinc/34/31/51/411343151.db2.gz XSAGVPKPGGNXRG-YIOUJQMASA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC(CN2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000063145755 411343153 /nfs/dbraw/zinc/34/31/53/411343153.db2.gz XSAGVPKPGGNXRG-YIOUJQMASA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@H](C[NH2+]CC1CCC(C)CC1)CN(C)C ZINC000336694478 168155386 /nfs/dbraw/zinc/15/53/86/168155386.db2.gz YBWPVSGMCHAHMR-ROKHWSDSSA-N 1 3 226.408 2.600 10 0 BFAEHO CC1CCC(N(C)CC[C@H]2CCC[NH2+]2)CC1 ZINC000042488246 168158243 /nfs/dbraw/zinc/15/82/43/168158243.db2.gz NGTCSYDLGZKJDL-ROKHWSDSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1CC[NH+]([C@@H]2CCCCC[C@@H]2CN)CC1 ZINC000037156816 168185461 /nfs/dbraw/zinc/18/54/61/168185461.db2.gz NAAHPVUONYRANY-ZIAGYGMSSA-N 1 3 224.392 2.626 10 0 BFAEHO CCNC(C)(C)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061299708 170107204 /nfs/dbraw/zinc/10/72/04/170107204.db2.gz INONEGAKAOLZCQ-ZIAGYGMSSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC(C)(C)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000061299708 170107205 /nfs/dbraw/zinc/10/72/05/170107205.db2.gz INONEGAKAOLZCQ-ZIAGYGMSSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNCc1cc(C[N@@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376113 170125329 /nfs/dbraw/zinc/12/53/29/170125329.db2.gz JUYIEURIMHRTEJ-LLVKDONJSA-N 1 3 236.359 2.682 10 0 BFAEHO CCNCc1cc(C[N@H+]2CCC[C@H]2C)c(C)o1 ZINC000052376113 170125330 /nfs/dbraw/zinc/12/53/30/170125330.db2.gz JUYIEURIMHRTEJ-LLVKDONJSA-N 1 3 236.359 2.682 10 0 BFAEHO CCNCc1ccoc1C[N@@H+]1CCC[C@@H]1CC ZINC000052374954 170129192 /nfs/dbraw/zinc/12/91/92/170129192.db2.gz WSQKVMZBDWHODV-ZDUSSCGKSA-N 1 3 236.359 2.764 10 0 BFAEHO CCNCc1ccoc1C[N@H+]1CCC[C@@H]1CC ZINC000052374954 170129193 /nfs/dbraw/zinc/12/91/93/170129193.db2.gz WSQKVMZBDWHODV-ZDUSSCGKSA-N 1 3 236.359 2.764 10 0 BFAEHO CC[NH2+]Cc1sccc1CN1CCCCC1 ZINC000045205678 170132798 /nfs/dbraw/zinc/13/27/98/170132798.db2.gz MHWMTXMVJBFLQH-UHFFFAOYSA-N 1 3 238.400 2.844 10 0 BFAEHO CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1CN1CCCC1 ZINC000053861064 170153068 /nfs/dbraw/zinc/15/30/68/170153068.db2.gz GPCWXXLTXHXBSR-QLFBSQMISA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053861961 170166428 /nfs/dbraw/zinc/16/64/28/170166428.db2.gz FGPLVNFIIRPPHQ-KGLIPLIRSA-N 1 3 224.392 2.641 10 0 BFAEHO CCN[C@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709196 170167119 /nfs/dbraw/zinc/16/71/19/170167119.db2.gz YZFSQMAXHQTNAB-OLZOCXBDSA-N 1 3 224.392 2.782 10 0 BFAEHO CCN[C@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709196 170167120 /nfs/dbraw/zinc/16/71/20/170167120.db2.gz YZFSQMAXHQTNAB-OLZOCXBDSA-N 1 3 224.392 2.782 10 0 BFAEHO CC[NH2+][C@H]1CCN(C2CCCCC2)[C@H](C)C1 ZINC000049709196 170167121 /nfs/dbraw/zinc/16/71/21/170167121.db2.gz YZFSQMAXHQTNAB-OLZOCXBDSA-N 1 3 224.392 2.782 10 0 BFAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104417729 171056330 /nfs/dbraw/zinc/05/63/30/171056330.db2.gz YYDIDRUTKDLJRG-VYDRJRHOSA-N 1 3 238.419 2.728 10 0 BFAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)C[C@@H]2C[C@@H]2C)C1 ZINC000104417729 171056332 /nfs/dbraw/zinc/05/63/32/171056332.db2.gz YYDIDRUTKDLJRG-VYDRJRHOSA-N 1 3 238.419 2.728 10 0 BFAEHO CNC[C@H](C(C)C)[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482426 173373739 /nfs/dbraw/zinc/37/37/39/173373739.db2.gz XUQOUFKTGFKQHL-QLFBSQMISA-N 1 3 238.419 2.885 10 0 BFAEHO CNC[C@H](C(C)C)[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000052482426 173373741 /nfs/dbraw/zinc/37/37/41/173373741.db2.gz XUQOUFKTGFKQHL-QLFBSQMISA-N 1 3 238.419 2.885 10 0 BFAEHO C[NH2+]C[C@H](C(C)C)N1CCC[C@H]2CCCC[C@@H]21 ZINC000052482426 173373742 /nfs/dbraw/zinc/37/37/42/173373742.db2.gz XUQOUFKTGFKQHL-QLFBSQMISA-N 1 3 238.419 2.885 10 0 BFAEHO CNCc1coc(C[N@H+](CC(C)C)C(C)C)c1 ZINC000052572615 173393526 /nfs/dbraw/zinc/39/35/26/173393526.db2.gz BTOCOUXEDOVBGN-UHFFFAOYSA-N 1 3 238.375 2.865 10 0 BFAEHO CNCc1coc(C[N@@H+](CC(C)C)C(C)C)c1 ZINC000052572615 173393527 /nfs/dbraw/zinc/39/35/27/173393527.db2.gz BTOCOUXEDOVBGN-UHFFFAOYSA-N 1 3 238.375 2.865 10 0 BFAEHO CNCc1occc1C[N@H+](C)CC1CCCC1 ZINC000104363703 173399530 /nfs/dbraw/zinc/39/95/30/173399530.db2.gz XUAWLWMFGFYMIW-UHFFFAOYSA-N 1 3 236.359 2.621 10 0 BFAEHO CNCc1occc1C[N@@H+](C)CC1CCCC1 ZINC000104363703 173399532 /nfs/dbraw/zinc/39/95/32/173399532.db2.gz XUAWLWMFGFYMIW-UHFFFAOYSA-N 1 3 236.359 2.621 10 0 BFAEHO C[C@@H](c1ccccc1)[N@@H+]1CCCNC(C)(C)C1 ZINC000062615847 176020661 /nfs/dbraw/zinc/02/06/61/176020661.db2.gz KIEUHGIACHLULJ-ZDUSSCGKSA-N 1 3 232.371 2.822 10 0 BFAEHO C[C@@H](c1ccccc1)[N@H+]1CCCNC(C)(C)C1 ZINC000062615847 176020664 /nfs/dbraw/zinc/02/06/64/176020664.db2.gz KIEUHGIACHLULJ-ZDUSSCGKSA-N 1 3 232.371 2.822 10 0 BFAEHO C[C@@H]1CCCN(Cc2cc(C[NH3+])ccc2F)C1 ZINC000019273871 176099986 /nfs/dbraw/zinc/09/99/86/176099986.db2.gz QUKUPNJEHXMGNN-LLVKDONJSA-N 1 3 236.334 2.516 10 0 BFAEHO C[C@@H]1CC[C@H](CN)[C@H]([NH+]2Cc3ccccc3C2)C1 ZINC000050910475 176223796 /nfs/dbraw/zinc/22/37/96/176223796.db2.gz LKGYLSACGOEOBX-XJKCOSOUSA-N 1 3 244.382 2.766 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000034781418 176229264 /nfs/dbraw/zinc/22/92/64/176229264.db2.gz LTPYDUURZCTDIC-UHOFOFEASA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000034781418 176229266 /nfs/dbraw/zinc/22/92/66/176229266.db2.gz LTPYDUURZCTDIC-UHOFOFEASA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1C[N@@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1N ZINC000049694205 176280623 /nfs/dbraw/zinc/28/06/23/176280623.db2.gz DESKPCIAGUFNCR-OMBAJQCTSA-N 1 3 248.414 2.624 10 0 BFAEHO C[C@@H]1C[N@H+](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1N ZINC000049694205 176280624 /nfs/dbraw/zinc/28/06/24/176280624.db2.gz DESKPCIAGUFNCR-OMBAJQCTSA-N 1 3 248.414 2.624 10 0 BFAEHO C[C@@H]1CNCCC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046701 176324480 /nfs/dbraw/zinc/32/44/80/176324480.db2.gz YRJHIVLILCUTFV-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1CNCCC[N@H+](C2(C)CCCCC2)C1 ZINC000045046701 176324482 /nfs/dbraw/zinc/32/44/82/176324482.db2.gz YRJHIVLILCUTFV-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CC2(C)CCCC2)C1 ZINC000104442363 176328678 /nfs/dbraw/zinc/32/86/78/176328678.db2.gz LSZMLHXDAVBEHI-ZIAGYGMSSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CCC2CCCC2)C1 ZINC000049666906 176329446 /nfs/dbraw/zinc/32/94/46/176329446.db2.gz DANFFYROHFOVGT-ZIAGYGMSSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@H]1CC[NH+](C2CCCCC2)CC[C@H](C)N1 ZINC000049665023 177157618 /nfs/dbraw/zinc/15/76/18/177157618.db2.gz MEBRLIDXNKXWCU-STQMWFEESA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H]1CNCCC[N@@H+](C2CCCCCC2)C1 ZINC000049665845 177281895 /nfs/dbraw/zinc/28/18/95/177281895.db2.gz SUGZZASWVNWRRE-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@H]1CNCCC[N@H+](C2CCCCCC2)C1 ZINC000049665845 177281897 /nfs/dbraw/zinc/28/18/97/177281897.db2.gz SUGZZASWVNWRRE-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1C[C@H](C)[C@@H](N)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000068592913 177320263 /nfs/dbraw/zinc/32/02/63/177320263.db2.gz VLNSZQNRDVTFLY-KYEXWDHISA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](C)[C@@H](N)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592913 177320264 /nfs/dbraw/zinc/32/02/64/177320264.db2.gz VLNSZQNRDVTFLY-KYEXWDHISA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H]1C[C@@H](N)CC[N@@H+]1C1CCCCCCC1 ZINC000049707702 177327017 /nfs/dbraw/zinc/32/70/17/177327017.db2.gz BAOHBKTZUAJWCP-STQMWFEESA-N 1 3 224.392 2.911 10 0 BFAEHO C[C@H]1C[C@@H](N)CC[N@H+]1C1CCCCCCC1 ZINC000049707702 177327018 /nfs/dbraw/zinc/32/70/18/177327018.db2.gz BAOHBKTZUAJWCP-STQMWFEESA-N 1 3 224.392 2.911 10 0 BFAEHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400416514 225224983 /nfs/dbraw/zinc/22/49/83/225224983.db2.gz VKYJPBJCFJIKOY-GUTXKFCHSA-N 1 3 232.371 2.644 10 0 BFAEHO Cc1ccccc1[C@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361180 226341668 /nfs/dbraw/zinc/34/16/68/226341668.db2.gz NRANVGGGAFHGAX-HZSPNIEDSA-N 1 3 232.371 2.644 10 0 BFAEHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400361186 226341750 /nfs/dbraw/zinc/34/17/50/226341750.db2.gz NRANVGGGAFHGAX-MELADBBJSA-N 1 3 232.371 2.644 10 0 BFAEHO C[C@H](N[C@H](c1ccccc1)C1CC1)[C@H]1CC[NH2+]C1 ZINC000400508161 226345434 /nfs/dbraw/zinc/34/54/34/226345434.db2.gz KRMZLOFBGYVVQL-VBNZEHGJSA-N 1 3 244.382 2.725 10 0 BFAEHO CC(C)CC(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000391123844 323099255 /nfs/dbraw/zinc/09/92/55/323099255.db2.gz KJAZYGDIWQHPMM-CYBMUJFWSA-N 1 3 226.408 2.790 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757128322 582503330 /nfs/dbraw/zinc/50/33/30/582503330.db2.gz KLJCPSIQLQSELS-ZIAGYGMSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757128322 582503331 /nfs/dbraw/zinc/50/33/31/582503331.db2.gz KLJCPSIQLQSELS-ZIAGYGMSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CCN1CCC[C@@]12CCC[NH2+][C@@H]2C ZINC000757128322 582503333 /nfs/dbraw/zinc/50/33/33/582503333.db2.gz KLJCPSIQLQSELS-ZIAGYGMSSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[N@@H+]1CC[C@@H](N2CCCCC2)C[C@H]1C ZINC000242687948 519862137 /nfs/dbraw/zinc/86/21/37/519862137.db2.gz VAUFFIPHKXVWES-ZIAGYGMSSA-N 1 3 224.392 2.735 10 0 BFAEHO CCC[N@H+]1CC[C@@H](N2CCCCC2)C[C@H]1C ZINC000242687948 519862138 /nfs/dbraw/zinc/86/21/38/519862138.db2.gz VAUFFIPHKXVWES-ZIAGYGMSSA-N 1 3 224.392 2.735 10 0 BFAEHO CCCCN1CC[C@@H]([NH2+]CCC)C[C@H]1C ZINC000249884467 520597379 /nfs/dbraw/zinc/59/73/79/520597379.db2.gz PGZZLYMYRMVGRO-CHWSQXEVSA-N 1 3 212.381 2.639 10 0 BFAEHO CC(C)CN1CC[C@@H]([NH2+]C(C)(C)C)[C@@H](C)C1 ZINC000226859102 535133570 /nfs/dbraw/zinc/13/35/70/535133570.db2.gz PWEIUIPUEISWCC-QWHCGFSZSA-N 1 3 226.408 2.741 10 0 BFAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757127966 582503175 /nfs/dbraw/zinc/50/31/75/582503175.db2.gz IHQYRYLFBZHNDC-GZBFAFLISA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757127966 582503178 /nfs/dbraw/zinc/50/31/78/582503178.db2.gz IHQYRYLFBZHNDC-GZBFAFLISA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@H](C1CCC1)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757127966 582503180 /nfs/dbraw/zinc/50/31/80/582503180.db2.gz IHQYRYLFBZHNDC-GZBFAFLISA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757127948 582503280 /nfs/dbraw/zinc/50/32/80/582503280.db2.gz IHQYRYLFBZHNDC-GUTXKFCHSA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@]12CNC[C@@H](C)C2 ZINC000757127948 582503282 /nfs/dbraw/zinc/50/32/82/582503282.db2.gz IHQYRYLFBZHNDC-GUTXKFCHSA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@H](C1CCC1)N1CCC[C@]12C[NH2+]C[C@@H](C)C2 ZINC000757127948 582503283 /nfs/dbraw/zinc/50/32/83/582503283.db2.gz IHQYRYLFBZHNDC-GUTXKFCHSA-N 1 3 236.403 2.639 10 0 BFAEHO C[C@@H]1NCCC[C@@]12CCC[N@@H+]2CCC1CCC1 ZINC000757129388 582504161 /nfs/dbraw/zinc/50/41/61/582504161.db2.gz LGKZCQLUWQUAMC-DZGCQCFKSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@@H]1NCCC[C@@]12CCC[N@H+]2CCC1CCC1 ZINC000757129388 582504162 /nfs/dbraw/zinc/50/41/62/582504162.db2.gz LGKZCQLUWQUAMC-DZGCQCFKSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@@H]1[NH2+]CCC[C@@]12CCCN2CCC1CCC1 ZINC000757129388 582504164 /nfs/dbraw/zinc/50/41/64/582504164.db2.gz LGKZCQLUWQUAMC-DZGCQCFKSA-N 1 3 236.403 2.783 10 0 BFAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132813 582508156 /nfs/dbraw/zinc/50/81/56/582508156.db2.gz RWCBVGMURFHJIT-MELADBBJSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757132813 582508157 /nfs/dbraw/zinc/50/81/57/582508157.db2.gz RWCBVGMURFHJIT-MELADBBJSA-N 1 3 224.392 2.637 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757133882 582510296 /nfs/dbraw/zinc/51/02/96/582510296.db2.gz VKNRTEAEGVXWMX-KGLIPLIRSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757133882 582510297 /nfs/dbraw/zinc/51/02/97/582510297.db2.gz VKNRTEAEGVXWMX-KGLIPLIRSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCCN1CCC[C@]12CCC[NH2+][C@@H]2C ZINC000757133882 582510298 /nfs/dbraw/zinc/51/02/98/582510298.db2.gz VKNRTEAEGVXWMX-KGLIPLIRSA-N 1 3 224.392 2.783 10 0 BFAEHO CC(C)[C@@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757129172 586426497 /nfs/dbraw/zinc/42/64/97/586426497.db2.gz KVPVSJYEQRWNOB-MCIONIFRSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757129172 586426498 /nfs/dbraw/zinc/42/64/98/586426498.db2.gz KVPVSJYEQRWNOB-MCIONIFRSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@@H](C)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757129172 586426500 /nfs/dbraw/zinc/42/65/00/586426500.db2.gz KVPVSJYEQRWNOB-MCIONIFRSA-N 1 3 224.392 2.637 10 0 BFAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208147 586437965 /nfs/dbraw/zinc/43/79/65/586437965.db2.gz CFTFRUVPICSANY-DFBGVHRSSA-N 1 3 244.382 2.736 10 0 BFAEHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000084217548 644419708 /nfs/dbraw/zinc/41/97/08/644419708.db2.gz RVXBCNOONLEFSA-OCCSQVGLSA-N 1 3 224.392 2.816 10 0 BFAEHO CCC1(N)CC[NH+]([C@@H](C2CC2)C2CCC2)CC1 ZINC000714760178 712498282 /nfs/dbraw/zinc/49/82/82/712498282.db2.gz WEJOUAVEVVYOJN-CQSZACIVSA-N 1 3 236.403 2.768 10 0 BFAEHO CCN1CC[C@@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000685955069 538900277 /nfs/dbraw/zinc/90/02/77/538900277.db2.gz RWDCVWBVCJJKQE-ROKHWSDSSA-N 1 3 224.392 2.624 10 0 BFAEHO Cc1cc(N(C)C[C@@H](C)C[NH3+])c2ccccc2n1 ZINC000042455716 178098957 /nfs/dbraw/zinc/09/89/57/178098957.db2.gz VILLWDXYVGNTPS-NSHDSACASA-N 1 3 243.354 2.574 10 0 BFAEHO C[C@H]([NH2+]CCCC1CCCC1)[C@@H]1CCCNC1 ZINC000576528138 365619341 /nfs/dbraw/zinc/61/93/41/365619341.db2.gz DTRUQMREIWDPFO-DZGCQCFKSA-N 1 3 238.419 2.935 10 0 BFAEHO C[C@@H]1C[C@H]([NH3+])CCN1C[C@H]1CCCCC1(F)F ZINC000381480621 398259095 /nfs/dbraw/zinc/25/90/95/398259095.db2.gz AHIJFDPTHPEJMD-IJLUTSLNSA-N 1 3 246.345 2.624 10 0 BFAEHO CCC(CC)[N@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000049664926 168375659 /nfs/dbraw/zinc/37/56/59/168375659.db2.gz QHPRTOQSFKDWQL-TXEJJXNPSA-N 1 3 212.381 2.637 10 0 BFAEHO CCC(CC)[N@@H+]1CC[C@@H](C)N[C@@H](C)CC1 ZINC000049664926 168375662 /nfs/dbraw/zinc/37/56/62/168375662.db2.gz QHPRTOQSFKDWQL-TXEJJXNPSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400423014 529666525 /nfs/dbraw/zinc/66/65/25/529666525.db2.gz XRBJMJHXBIMSRY-YUELXQCFSA-N 1 3 232.371 2.725 10 0 BFAEHO CC[C@H](N[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400423012 529666610 /nfs/dbraw/zinc/66/66/10/529666610.db2.gz XRBJMJHXBIMSRY-SNPRPXQTSA-N 1 3 232.371 2.725 10 0 BFAEHO CC(C)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000070585014 136278530 /nfs/dbraw/zinc/27/85/30/136278530.db2.gz YGJFQVPMSZKXRM-CYBMUJFWSA-N 1 3 224.392 2.782 10 0 BFAEHO CC(C)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000070585014 136278531 /nfs/dbraw/zinc/27/85/31/136278531.db2.gz YGJFQVPMSZKXRM-CYBMUJFWSA-N 1 3 224.392 2.782 10 0 BFAEHO Cc1ccc(C)c(CN2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000258723886 136373835 /nfs/dbraw/zinc/37/38/35/136373835.db2.gz IPOGTYAEBLTHSU-OAHLLOKOSA-N 1 3 246.398 2.863 10 0 BFAEHO CCC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000635020831 345223408 /nfs/dbraw/zinc/22/34/08/345223408.db2.gz MKRYVSONZKWAMX-QWHCGFSZSA-N 1 3 226.408 2.790 10 0 BFAEHO CC(C)=CCNC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000236730634 192089620 /nfs/dbraw/zinc/08/96/20/192089620.db2.gz DSMIDILHBXSMQH-UHFFFAOYSA-N 1 3 224.392 2.851 10 0 BFAEHO Cc1cccc(C[N@@H+]2CCCN[C@@H](C(C)C)C2)c1 ZINC000062622395 179074938 /nfs/dbraw/zinc/07/49/38/179074938.db2.gz QEBHXPWVYZMFQL-MRXNPFEDSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1cccc(C[N@H+]2CCCN[C@@H](C(C)C)C2)c1 ZINC000062622395 179074939 /nfs/dbraw/zinc/07/49/39/179074939.db2.gz QEBHXPWVYZMFQL-MRXNPFEDSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1cccc(CN2C[C@@H](C)C[NH2+]C[C@H](C)C2)c1 ZINC000049666843 179082053 /nfs/dbraw/zinc/08/20/53/179082053.db2.gz SDLGIUUZUKNGPW-GJZGRUSLSA-N 1 3 246.398 2.672 10 0 BFAEHO Cc1cccc(C[NH2+]CC[C@@H]2CCCCN2C)c1 ZINC000052205624 179092263 /nfs/dbraw/zinc/09/22/63/179092263.db2.gz CSWWBPWCVSEWQH-INIZCTEOSA-N 1 3 246.398 2.959 10 0 BFAEHO Cc1cccc(C[NH2+]CC[C@H]2CCCCN2C)c1 ZINC000052205626 179092644 /nfs/dbraw/zinc/09/26/44/179092644.db2.gz CSWWBPWCVSEWQH-MRXNPFEDSA-N 1 3 246.398 2.959 10 0 BFAEHO C[C@H]([NH2+]CC1(C)CCCC1)[C@@H]1CCCNC1 ZINC000580181418 346616821 /nfs/dbraw/zinc/61/68/21/346616821.db2.gz RIIJJNXZRCIWNZ-QWHCGFSZSA-N 1 3 224.392 2.544 10 0 BFAEHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000036127801 179268815 /nfs/dbraw/zinc/26/88/15/179268815.db2.gz QDNPXXFVVLHUEJ-GDBMZVCRSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1CN ZINC000036127801 179268816 /nfs/dbraw/zinc/26/88/16/179268816.db2.gz QDNPXXFVVLHUEJ-GDBMZVCRSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1ccccc1CN(C)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000036127801 179268819 /nfs/dbraw/zinc/26/88/19/179268819.db2.gz QDNPXXFVVLHUEJ-GDBMZVCRSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1ccccc1CN1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049666753 179276282 /nfs/dbraw/zinc/27/62/82/179276282.db2.gz AAVJGIVBNYAAKF-GJZGRUSLSA-N 1 3 246.398 2.957 10 0 BFAEHO C[C@@H]1CCN(Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219631201 350134734 /nfs/dbraw/zinc/13/47/34/350134734.db2.gz GABDHTSDPPJYAT-UONOGXRCSA-N 1 3 232.371 2.507 10 0 BFAEHO Cc1cc(NCC[C@@H](C)[NH3+])c2ccccc2n1 ZINC000063171616 357552871 /nfs/dbraw/zinc/55/28/71/357552871.db2.gz BKMQHBPYCIVIBG-SNVBAGLBSA-N 1 3 229.327 2.692 10 0 BFAEHO CC(C)=CC[NH2+]C1CCN(C2CCCC2)CC1 ZINC000188444329 357554164 /nfs/dbraw/zinc/55/41/64/357554164.db2.gz JFNHXEHZVXEFJW-UHFFFAOYSA-N 1 3 236.403 2.949 10 0 BFAEHO CC[C@@H]1CC[C@@H](CCN2CCCC2)[N@H+](C)C1 ZINC000584652210 358307122 /nfs/dbraw/zinc/30/71/22/358307122.db2.gz QQUFBQNUZZCFGO-KGLIPLIRSA-N 1 3 224.392 2.593 10 0 BFAEHO CC[C@@H]1CC[C@@H](CCN2CCCC2)[N@@H+](C)C1 ZINC000584652210 358307125 /nfs/dbraw/zinc/30/71/25/358307125.db2.gz QQUFBQNUZZCFGO-KGLIPLIRSA-N 1 3 224.392 2.593 10 0 BFAEHO CC[C@@H]1CC[C@@H](CC[NH+]2CCCC2)N(C)C1 ZINC000584652210 358307127 /nfs/dbraw/zinc/30/71/27/358307127.db2.gz QQUFBQNUZZCFGO-KGLIPLIRSA-N 1 3 224.392 2.593 10 0 BFAEHO CCN(CCCCCC[NH3+])Cc1ccco1 ZINC000042445981 358349227 /nfs/dbraw/zinc/34/92/27/358349227.db2.gz XGLVYEUYICEZQY-UHFFFAOYSA-N 1 3 224.348 2.621 10 0 BFAEHO C[C@H](CCc1ccccc1)N[C@@H]1CCC[NH2+][C@H]1C ZINC000396626280 358450439 /nfs/dbraw/zinc/45/04/39/358450439.db2.gz ITNPJGFZEDAXCL-IJEWVQPXSA-N 1 3 246.398 2.738 10 0 BFAEHO CCCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000578497629 366580063 /nfs/dbraw/zinc/58/00/63/366580063.db2.gz PRFMLRCJXMKYIP-CHWSQXEVSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@H]([NH2+]C[C@H]1CCCC1(C)C)[C@H]1CCCNC1 ZINC000573711432 364897879 /nfs/dbraw/zinc/89/78/79/364897879.db2.gz SKSXINQMEGSOKH-MELADBBJSA-N 1 3 238.419 2.790 10 0 BFAEHO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000581661302 367662528 /nfs/dbraw/zinc/66/25/28/367662528.db2.gz KOVZJDLXWJDAPW-SYQHCUMBSA-N 1 3 224.392 2.543 10 0 BFAEHO CC(C)(C[NH2+][C@@H]1CCCNCC1)C1CCC1 ZINC000384987619 367769590 /nfs/dbraw/zinc/76/95/90/367769590.db2.gz SGVRQUNZKUWFBR-CYBMUJFWSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@@H]([NH2+]CC1C(C)(C)C1(C)C)[C@@H]1CCCNC1 ZINC000567639655 326236778 /nfs/dbraw/zinc/23/67/78/326236778.db2.gz GIMJQMBYOPRKKV-VXGBXAGGSA-N 1 3 238.419 2.646 10 0 BFAEHO CCC[NH+](CCC)C[C@@H]1CCCC[C@@H]1N ZINC000058081472 169148449 /nfs/dbraw/zinc/14/84/49/169148449.db2.gz LDCOPOIAQOLDIC-STQMWFEESA-N 1 3 212.381 2.626 10 0 BFAEHO CCC[NH+](CCC)C[C@H]1CCCC[C@H]1N ZINC000058081490 169148671 /nfs/dbraw/zinc/14/86/71/169148671.db2.gz LDCOPOIAQOLDIC-CHWSQXEVSA-N 1 3 212.381 2.626 10 0 BFAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC000054603356 169255591 /nfs/dbraw/zinc/25/55/91/169255591.db2.gz RTRCWEXZAJJYMQ-LQDVMPOASA-N 1 3 236.403 2.924 10 0 BFAEHO CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000054603356 169255592 /nfs/dbraw/zinc/25/55/92/169255592.db2.gz RTRCWEXZAJJYMQ-LQDVMPOASA-N 1 3 236.403 2.924 10 0 BFAEHO CCC[NH2+]Cc1oc(CN(CC)CC)cc1C ZINC000052378447 169268767 /nfs/dbraw/zinc/26/87/67/169268767.db2.gz LZWNSRWDDJMZTP-UHFFFAOYSA-N 1 3 238.375 2.929 10 0 BFAEHO CCC[NH2+]Cc1oc(CN(C)C(C)C)cc1C ZINC000052419733 169268842 /nfs/dbraw/zinc/26/88/42/169268842.db2.gz WCABUFJDOCWBGY-UHFFFAOYSA-N 1 3 238.375 2.928 10 0 BFAEHO c1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCNC2)cc1 ZINC000096985036 183399239 /nfs/dbraw/zinc/39/92/39/183399239.db2.gz CSSSWROORKPTQD-HZPDHXFCSA-N 1 3 244.382 2.651 10 0 BFAEHO c1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCNC2)cc1 ZINC000096985036 183399241 /nfs/dbraw/zinc/39/92/41/183399241.db2.gz CSSSWROORKPTQD-HZPDHXFCSA-N 1 3 244.382 2.651 10 0 BFAEHO c1ccc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]C2)cc1 ZINC000096985036 183399243 /nfs/dbraw/zinc/39/92/43/183399243.db2.gz CSSSWROORKPTQD-HZPDHXFCSA-N 1 3 244.382 2.651 10 0 BFAEHO CCC[NH2+][C@@H]1CCN(CC2CCCC2)C[C@@H]1C ZINC000049710672 169281606 /nfs/dbraw/zinc/28/16/06/169281606.db2.gz HYKRTIHJLXRSQA-DZGCQCFKSA-N 1 3 238.419 2.887 10 0 BFAEHO CCC[NH2+][C@H]1CCC[C@@H]1CN(C)CC1CCC1 ZINC000061484484 169290857 /nfs/dbraw/zinc/29/08/57/169290857.db2.gz PXKCOKFCROHHQQ-CABCVRRESA-N 1 3 238.419 2.887 10 0 BFAEHO CCC[C@@H]([NH3+])[C@H](CC)N(CCOC)[C@@H](C)CC ZINC000042581212 169392990 /nfs/dbraw/zinc/39/29/90/169392990.db2.gz AIJKZYVFGFMJIY-MJBXVCDLSA-N 1 3 244.423 2.639 10 0 BFAEHO C[C@H](C[C@@H](CN)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591123 384001944 /nfs/dbraw/zinc/00/19/44/384001944.db2.gz XPOCUETWGWPYKX-KBMXLJTQSA-N 1 3 246.398 2.897 10 0 BFAEHO NC[C@@]12C[N@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625256 385175160 /nfs/dbraw/zinc/17/51/60/385175160.db2.gz AFHIMDPHXZNRAO-HOTGVXAUSA-N 1 3 244.382 2.638 10 0 BFAEHO NC[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1CCCC2 ZINC000032625256 385175165 /nfs/dbraw/zinc/17/51/65/385175165.db2.gz AFHIMDPHXZNRAO-HOTGVXAUSA-N 1 3 244.382 2.638 10 0 BFAEHO CC1CCC(C)(C[NH2+]C2CCNCC2)CC1 ZINC000335021247 385980798 /nfs/dbraw/zinc/98/07/98/385980798.db2.gz GHDLRNNGUQXAOQ-UHFFFAOYSA-N 1 3 224.392 2.544 10 0 BFAEHO CC(C)[C@]1(N)CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000575561936 386025661 /nfs/dbraw/zinc/02/56/61/386025661.db2.gz XBTFVRGKTNACEL-UKRRQHHQSA-N 1 3 232.371 2.634 10 0 BFAEHO CC(C)[C@]1(N)CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575561936 386025668 /nfs/dbraw/zinc/02/56/68/386025668.db2.gz XBTFVRGKTNACEL-UKRRQHHQSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@@H]1CCCNC1 ZINC000519596624 386497769 /nfs/dbraw/zinc/49/77/69/386497769.db2.gz UBEPZBHOXNXTIL-FQUUOJAGSA-N 1 3 224.392 2.543 10 0 BFAEHO N[C@H](CCCC[NH3+])c1cc(Cl)ccc1F ZINC000575438875 387118887 /nfs/dbraw/zinc/11/88/87/387118887.db2.gz DUDJFBOFJKLYKX-LLVKDONJSA-N 1 3 230.714 2.608 10 0 BFAEHO Cc1ccc(Cl)c([C@H](N)CCCC[NH3+])c1F ZINC000575439038 387122043 /nfs/dbraw/zinc/12/20/43/387122043.db2.gz OSVVMRLYRIJOOZ-SNVBAGLBSA-N 1 3 244.741 2.916 10 0 BFAEHO Cc1ccccc1CC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000572464087 387514945 /nfs/dbraw/zinc/51/49/45/387514945.db2.gz FVRLWDMVPAODMA-HOCLYGCPSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1ccccc1CCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000572464087 387514953 /nfs/dbraw/zinc/51/49/53/387514953.db2.gz FVRLWDMVPAODMA-HOCLYGCPSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1ccccc1CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000572464088 387516155 /nfs/dbraw/zinc/51/61/55/387516155.db2.gz FVRLWDMVPAODMA-ZBFHGGJFSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1ccccc1CCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000572464088 387516157 /nfs/dbraw/zinc/51/61/57/387516157.db2.gz FVRLWDMVPAODMA-ZBFHGGJFSA-N 1 3 246.398 2.515 10 0 BFAEHO CN1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000245642972 387968935 /nfs/dbraw/zinc/96/89/35/387968935.db2.gz SPQGVUIXAAMLHJ-KGLIPLIRSA-N 1 3 248.370 2.901 10 0 BFAEHO CN1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000245642972 387968939 /nfs/dbraw/zinc/96/89/39/387968939.db2.gz SPQGVUIXAAMLHJ-KGLIPLIRSA-N 1 3 248.370 2.901 10 0 BFAEHO C[C@H]([NH2+]CC(C)(C)C1CCC1)[C@@H]1CCCNC1 ZINC000643492778 388091716 /nfs/dbraw/zinc/09/17/16/388091716.db2.gz CYKDVBXPNMBJSU-QWHCGFSZSA-N 1 3 238.419 2.790 10 0 BFAEHO Cc1ccc2nccc(N[C@@H]3CCC[NH2+]C3)c2c1 ZINC000073738644 388461425 /nfs/dbraw/zinc/46/14/25/388461425.db2.gz MSYZKRYEDMCIHZ-GFCCVEGCSA-N 1 3 241.338 2.707 10 0 BFAEHO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@@]1(C)CN ZINC000310947182 388491092 /nfs/dbraw/zinc/49/10/92/388491092.db2.gz XYLVGIVJXJOONV-DAXOMENPSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)C[C@@]1(C)CN ZINC000310947182 388491094 /nfs/dbraw/zinc/49/10/94/388491094.db2.gz XYLVGIVJXJOONV-DAXOMENPSA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@H]([NH2+]CC[C@H]1CC=CCC1)[C@H]1CCCNC1 ZINC000530217498 388630854 /nfs/dbraw/zinc/63/08/54/388630854.db2.gz BSQCNNAUEJJUPB-KKUMJFAQSA-N 1 3 236.403 2.711 10 0 BFAEHO CC(C)C[NH2+][C@@H]1CCN(CC(C)C)C[C@@H]1C ZINC000226859298 134370532 /nfs/dbraw/zinc/37/05/32/134370532.db2.gz RPYGRNVBGBBXJN-UONOGXRCSA-N 1 3 226.408 2.598 10 0 BFAEHO CC1(C)CN(CCC2CCCC2)CC[C@H]1[NH3+] ZINC000261583821 135225223 /nfs/dbraw/zinc/22/52/23/135225223.db2.gz PGLFEYXOJUKWLY-CYBMUJFWSA-N 1 3 224.392 2.626 10 0 BFAEHO CC(C)[NH2+]Cc1sccc1CN1CCCC1 ZINC000045205673 167123297 /nfs/dbraw/zinc/12/32/97/167123297.db2.gz KAUHEBNYFYLCIE-UHFFFAOYSA-N 1 3 238.400 2.842 10 0 BFAEHO CC(C)[NH2+]CCC1CN(Cc2ccccc2)C1 ZINC000095088504 167099828 /nfs/dbraw/zinc/09/98/28/167099828.db2.gz CZNMTCYKJKXFDM-UHFFFAOYSA-N 1 3 232.371 2.507 10 0 BFAEHO CC1CCC([N@H+](C)Cc2occc2CN)CC1 ZINC000052345382 168160022 /nfs/dbraw/zinc/16/00/22/168160022.db2.gz ZMEBXOFSOOEMDH-UHFFFAOYSA-N 1 3 236.359 2.749 10 0 BFAEHO CC1CCC([N@@H+](C)Cc2occc2CN)CC1 ZINC000052345382 168160025 /nfs/dbraw/zinc/16/00/25/168160025.db2.gz ZMEBXOFSOOEMDH-UHFFFAOYSA-N 1 3 236.359 2.749 10 0 BFAEHO CC1CC[NH+]([C@H]2CCCCC[C@@H]2CN)CC1 ZINC000037156818 168188107 /nfs/dbraw/zinc/18/81/07/168188107.db2.gz NAAHPVUONYRANY-KGLIPLIRSA-N 1 3 224.392 2.626 10 0 BFAEHO CC[C@@H]1C[N@H+](CC2CCC(C)CC2)CC[C@@H]1N ZINC000122400962 411431305 /nfs/dbraw/zinc/43/13/05/411431305.db2.gz GXYDKNPIFZMQMD-CVSAEHQPSA-N 1 3 238.419 2.872 10 0 BFAEHO CC[C@@H]1C[N@@H+](CC2CCC(C)CC2)CC[C@@H]1N ZINC000122400962 411431307 /nfs/dbraw/zinc/43/13/07/411431307.db2.gz GXYDKNPIFZMQMD-CVSAEHQPSA-N 1 3 238.419 2.872 10 0 BFAEHO CC[C@H]1C[N@H+](CC2CCC(C)CC2)CC[C@@H]1N ZINC000122401200 411432102 /nfs/dbraw/zinc/43/21/02/411432102.db2.gz GXYDKNPIFZMQMD-WUCCLRPBSA-N 1 3 238.419 2.872 10 0 BFAEHO CC[C@H]1C[N@@H+](CC2CCC(C)CC2)CC[C@@H]1N ZINC000122401200 411432105 /nfs/dbraw/zinc/43/21/05/411432105.db2.gz GXYDKNPIFZMQMD-WUCCLRPBSA-N 1 3 238.419 2.872 10 0 BFAEHO CC[NH2+]CCCNc1cc(C)nc2ccccc21 ZINC000038043427 170112913 /nfs/dbraw/zinc/11/29/13/170112913.db2.gz INGMNIXOZCRVRN-UHFFFAOYSA-N 1 3 243.354 2.955 10 0 BFAEHO CCNC[C@@](C)(C[NH+](CC)CC)c1ccccc1 ZINC000051208633 170121064 /nfs/dbraw/zinc/12/10/64/170121064.db2.gz GJFZICNNPGVWLR-INIZCTEOSA-N 1 3 248.414 2.896 10 0 BFAEHO CCNCc1cc(C[N@@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376111 170125750 /nfs/dbraw/zinc/12/57/50/170125750.db2.gz JUYIEURIMHRTEJ-NSHDSACASA-N 1 3 236.359 2.682 10 0 BFAEHO CCNCc1cc(C[N@H+]2CCC[C@@H]2C)c(C)o1 ZINC000052376111 170125751 /nfs/dbraw/zinc/12/57/51/170125751.db2.gz JUYIEURIMHRTEJ-NSHDSACASA-N 1 3 236.359 2.682 10 0 BFAEHO CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1CN1CCCC1 ZINC000053861065 170154418 /nfs/dbraw/zinc/15/44/18/170154418.db2.gz GPCWXXLTXHXBSR-SOUVJXGZSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+][C@H]1CCCCC[C@@H]1CN(C)CC1CC1 ZINC000053870081 170166198 /nfs/dbraw/zinc/16/61/98/170166198.db2.gz AVFICXIWBNALKF-CABCVRRESA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@H]1CC[N@@H+](C(C)(C)CC)C[C@H](C)CN1 ZINC000049664987 171007976 /nfs/dbraw/zinc/00/79/76/171007976.db2.gz FDVSCZKEUSIRQF-CHWSQXEVSA-N 1 3 226.408 2.885 10 0 BFAEHO CC[C@@H]1CC[N@H+](C(C)(C)CC)C[C@H](C)CN1 ZINC000049664987 171007979 /nfs/dbraw/zinc/00/79/79/171007979.db2.gz FDVSCZKEUSIRQF-CHWSQXEVSA-N 1 3 226.408 2.885 10 0 BFAEHO CC[C@@](C)(C[NH3+])CN(C)Cc1ccccc1C ZINC000051256391 171167088 /nfs/dbraw/zinc/16/70/88/171167088.db2.gz ODJCXQCCWSXGLK-HNNXBMFYSA-N 1 3 234.387 2.802 10 0 BFAEHO CC[C@@](C)(CN)C[N@H+](C)Cc1ccccc1C ZINC000051256391 171167091 /nfs/dbraw/zinc/16/70/91/171167091.db2.gz ODJCXQCCWSXGLK-HNNXBMFYSA-N 1 3 234.387 2.802 10 0 BFAEHO CC[C@@](C)(CN)C[N@@H+](C)Cc1ccccc1C ZINC000051256391 171167094 /nfs/dbraw/zinc/16/70/94/171167094.db2.gz ODJCXQCCWSXGLK-HNNXBMFYSA-N 1 3 234.387 2.802 10 0 BFAEHO CC[C@@](C)(C[NH2+]C1CC1)CN1CCC(C)CC1 ZINC000051207969 171167099 /nfs/dbraw/zinc/16/70/99/171167099.db2.gz RUNCHXCKRFKNQA-HNNXBMFYSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@](C)(CNC1CC1)C[NH+]1CCC(C)CC1 ZINC000051207969 171167102 /nfs/dbraw/zinc/16/71/02/171167102.db2.gz RUNCHXCKRFKNQA-HNNXBMFYSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@](C)(C[NH3+])CN(C)Cc1ccc(C)cc1 ZINC000051214086 171167319 /nfs/dbraw/zinc/16/73/19/171167319.db2.gz SCOXTRMRQHBWGU-HNNXBMFYSA-N 1 3 234.387 2.802 10 0 BFAEHO CC[C@@](C)(CN)C[N@H+](C)Cc1ccc(C)cc1 ZINC000051214086 171167320 /nfs/dbraw/zinc/16/73/20/171167320.db2.gz SCOXTRMRQHBWGU-HNNXBMFYSA-N 1 3 234.387 2.802 10 0 BFAEHO CC[C@@](C)(CN)C[N@@H+](C)Cc1ccc(C)cc1 ZINC000051214086 171167321 /nfs/dbraw/zinc/16/73/21/171167321.db2.gz SCOXTRMRQHBWGU-HNNXBMFYSA-N 1 3 234.387 2.802 10 0 BFAEHO CCC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000665236371 412175956 /nfs/dbraw/zinc/17/59/56/412175956.db2.gz LKLBYPVRIXMUOL-RWMBFGLXSA-N 1 3 226.408 2.789 10 0 BFAEHO C[N@@H+]1CC[C@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000037646358 173147342 /nfs/dbraw/zinc/14/73/42/173147342.db2.gz FBWXMKCWCSBGES-CZUORRHYSA-N 1 3 244.382 2.605 10 0 BFAEHO C[N@H+]1CC[C@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000037646358 173147343 /nfs/dbraw/zinc/14/73/43/173147343.db2.gz FBWXMKCWCSBGES-CZUORRHYSA-N 1 3 244.382 2.605 10 0 BFAEHO CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)(C)C ZINC000054602353 173324406 /nfs/dbraw/zinc/32/44/06/173324406.db2.gz WGSUIJFPWHIFPN-YHWZYXNKSA-N 1 3 224.392 2.637 10 0 BFAEHO CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)(C)C ZINC000054602353 173324407 /nfs/dbraw/zinc/32/44/07/173324407.db2.gz WGSUIJFPWHIFPN-YHWZYXNKSA-N 1 3 224.392 2.637 10 0 BFAEHO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CC(C)(C)C ZINC000054602353 173324408 /nfs/dbraw/zinc/32/44/08/173324408.db2.gz WGSUIJFPWHIFPN-YHWZYXNKSA-N 1 3 224.392 2.637 10 0 BFAEHO CNC[C@@](C)(C[N@H+](C)CC1CC1)c1ccccc1 ZINC000051249756 173372612 /nfs/dbraw/zinc/37/26/12/173372612.db2.gz FOUXFQZYGHKFIP-INIZCTEOSA-N 1 3 246.398 2.506 10 0 BFAEHO CNC[C@@](C)(C[N@@H+](C)CC1CC1)c1ccccc1 ZINC000051249756 173372613 /nfs/dbraw/zinc/37/26/13/173372613.db2.gz FOUXFQZYGHKFIP-INIZCTEOSA-N 1 3 246.398 2.506 10 0 BFAEHO C[C@@H](c1ccccc1)N1CCC[NH2+][C@H](C)CC1 ZINC000049664289 176022295 /nfs/dbraw/zinc/02/22/95/176022295.db2.gz LKOSVPVEKJHUSB-KGLIPLIRSA-N 1 3 232.371 2.822 10 0 BFAEHO C[C@@H](c1ccccc1)[N@@H+]1CCCN[C@H](C)CC1 ZINC000049664289 176022296 /nfs/dbraw/zinc/02/22/96/176022296.db2.gz LKOSVPVEKJHUSB-KGLIPLIRSA-N 1 3 232.371 2.822 10 0 BFAEHO C[C@@H](c1ccccc1)[N@H+]1CCCN[C@H](C)CC1 ZINC000049664289 176022297 /nfs/dbraw/zinc/02/22/97/176022297.db2.gz LKOSVPVEKJHUSB-KGLIPLIRSA-N 1 3 232.371 2.822 10 0 BFAEHO C[C@@H]1CCCN(Cc2ccc(C[NH3+])cc2F)C1 ZINC000019401458 176100912 /nfs/dbraw/zinc/10/09/12/176100912.db2.gz FIJQTLIVNDBRRC-LLVKDONJSA-N 1 3 236.334 2.516 10 0 BFAEHO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cc(CN)co2)C1 ZINC000052513885 176121270 /nfs/dbraw/zinc/12/12/70/176121270.db2.gz VCMAYTOTMMGBEM-DGCLKSJQSA-N 1 3 236.359 2.749 10 0 BFAEHO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cc(CN)co2)C1 ZINC000052513885 176121272 /nfs/dbraw/zinc/12/12/72/176121272.db2.gz VCMAYTOTMMGBEM-DGCLKSJQSA-N 1 3 236.359 2.749 10 0 BFAEHO C[C@@H]1CC[N@@H+](C2(C)CCCCC2)CCCN1 ZINC000045046675 176167668 /nfs/dbraw/zinc/16/76/68/176167668.db2.gz RTEYGXDEADWAGZ-CYBMUJFWSA-N 1 3 224.392 2.783 10 0 BFAEHO C[C@@H]1CC[N@H+](C2(C)CCCCC2)CCCN1 ZINC000045046675 176167669 /nfs/dbraw/zinc/16/76/69/176167669.db2.gz RTEYGXDEADWAGZ-CYBMUJFWSA-N 1 3 224.392 2.783 10 0 BFAEHO C[C@@H]1CCN(Cc2ccccc2)CC[C@@H](C)[NH2+]1 ZINC000049664202 176176379 /nfs/dbraw/zinc/17/63/79/176176379.db2.gz QRNDVXHKTCAXSI-ZIAGYGMSSA-N 1 3 232.371 2.649 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@H](C[NH+]2CCCCCC2)C1 ZINC000053861974 176208829 /nfs/dbraw/zinc/20/88/29/176208829.db2.gz RHNUUHVJBZJUPA-HZSPNIEDSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1N ZINC000068592910 176362690 /nfs/dbraw/zinc/36/26/90/176362690.db2.gz VLNSZQNRDVTFLY-RGCMKSIDSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1N ZINC000068592910 176362693 /nfs/dbraw/zinc/36/26/93/176362693.db2.gz VLNSZQNRDVTFLY-RGCMKSIDSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H](C[NH3+])CN1CCC2(CCCCC2)CC1 ZINC000061818695 176658261 /nfs/dbraw/zinc/65/82/61/176658261.db2.gz ORLXXQULACVBPR-CYBMUJFWSA-N 1 3 224.392 2.628 10 0 BFAEHO C[C@H]1CCCCN1Cc1cc(C[NH3+])ccc1F ZINC000019264380 177076557 /nfs/dbraw/zinc/07/65/57/177076557.db2.gz MVEOLZRCIOUBAP-NSHDSACASA-N 1 3 236.334 2.659 10 0 BFAEHO C[C@H]1CCC[N@@H+]1Cc1oc2ccccc2c1CN ZINC000052375960 177110432 /nfs/dbraw/zinc/11/04/32/177110432.db2.gz ULIVEUHDWHDJOB-NSHDSACASA-N 1 3 244.338 2.876 10 0 BFAEHO C[C@H]1CCC[N@H+]1Cc1oc2ccccc2c1CN ZINC000052375960 177110434 /nfs/dbraw/zinc/11/04/34/177110434.db2.gz ULIVEUHDWHDJOB-NSHDSACASA-N 1 3 244.338 2.876 10 0 BFAEHO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(CN)c1 ZINC000022167441 177132041 /nfs/dbraw/zinc/13/20/41/177132041.db2.gz RORFIAJGFPKTPA-STQMWFEESA-N 1 3 232.371 2.908 10 0 BFAEHO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1CN ZINC000022168750 177132168 /nfs/dbraw/zinc/13/21/68/177132168.db2.gz YKLGOIXNKXXNKX-STQMWFEESA-N 1 3 232.371 2.908 10 0 BFAEHO C[C@H]1CC[N@H+](CCC2CCCC2)CCCN1 ZINC000049666883 177159097 /nfs/dbraw/zinc/15/90/97/177159097.db2.gz YZRFBMHERIOLKZ-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@H]1CC[N@@H+](CCC2CCCC2)CCCN1 ZINC000049666883 177159098 /nfs/dbraw/zinc/15/90/98/177159098.db2.gz YZRFBMHERIOLKZ-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1CCC[C@H]([N@H+]2C[C@H](C)CNC[C@H](C)C2)C1 ZINC000049665912 177285817 /nfs/dbraw/zinc/28/58/17/177285817.db2.gz UTFXWHRQBYJXGN-KBXIAJHMSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@@H]1CCC[C@H]([N@@H+]2C[C@H](C)CNC[C@H](C)C2)C1 ZINC000049665912 177285818 /nfs/dbraw/zinc/28/58/18/177285818.db2.gz UTFXWHRQBYJXGN-KBXIAJHMSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1N ZINC000068592903 177323557 /nfs/dbraw/zinc/32/35/57/177323557.db2.gz VLNSZQNRDVTFLY-QVHKTLOISA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1N ZINC000068592903 177323560 /nfs/dbraw/zinc/32/35/60/177323560.db2.gz VLNSZQNRDVTFLY-QVHKTLOISA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694216 177364477 /nfs/dbraw/zinc/36/44/77/177364477.db2.gz WNZWNQXTGGXDPC-BQOUJGBCSA-N 1 3 248.414 2.767 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@H+]1C12CC3CC(CC(C3)C1)C2 ZINC000049694216 177364479 /nfs/dbraw/zinc/36/44/79/177364479.db2.gz WNZWNQXTGGXDPC-BQOUJGBCSA-N 1 3 248.414 2.767 10 0 BFAEHO Cc1ccccc1[C@H](C)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400361182 226341758 /nfs/dbraw/zinc/34/17/58/226341758.db2.gz NRANVGGGAFHGAX-IHRRRGAJSA-N 1 3 232.371 2.644 10 0 BFAEHO C[C@H](N[C@H](c1ccccc1)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000400508158 226345263 /nfs/dbraw/zinc/34/52/63/226345263.db2.gz KRMZLOFBGYVVQL-APHBMKBZSA-N 1 3 244.382 2.725 10 0 BFAEHO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000567647057 326237836 /nfs/dbraw/zinc/23/78/36/326237836.db2.gz OXBRRSFJWIXVPX-XUXIUFHCSA-N 1 3 226.408 2.789 10 0 BFAEHO C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCNC1 ZINC000567645920 326238000 /nfs/dbraw/zinc/23/80/00/326238000.db2.gz JCVLDVWWLHWNNY-CHWSQXEVSA-N 1 3 226.408 2.790 10 0 BFAEHO CC(C)C[NH2+][C@@H]1CCN(CC(C)C)C[C@H]1C ZINC000242648997 519749768 /nfs/dbraw/zinc/74/97/68/519749768.db2.gz RPYGRNVBGBBXJN-ZIAGYGMSSA-N 1 3 226.408 2.598 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757129079 582504957 /nfs/dbraw/zinc/50/49/57/582504957.db2.gz KRMQIKXXINFVDR-MJBXVCDLSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757129079 582504960 /nfs/dbraw/zinc/50/49/60/582504960.db2.gz KRMQIKXXINFVDR-MJBXVCDLSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H](CCN[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500090 533944703 /nfs/dbraw/zinc/94/47/03/533944703.db2.gz BSYUZXFYYZBQET-IIAWOOMASA-N 1 3 246.398 2.768 10 0 BFAEHO CCC[C@H](C)C[C@H](CN)[C@H]1CCCC[NH2+]1 ZINC000238854799 521026393 /nfs/dbraw/zinc/02/63/93/521026393.db2.gz PLFOILFTHVSCAK-YNEHKIRRSA-N 1 3 212.381 2.530 10 0 BFAEHO CCC1CCC([NH2+][C@@H](C)[C@H]2CCCN2)CC1 ZINC000400749768 527858731 /nfs/dbraw/zinc/85/87/31/527858731.db2.gz VHAHFEGIPKCAIT-GFJIZPEISA-N 1 3 224.392 2.685 10 0 BFAEHO CCCN1CC[C@@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000226858484 534950817 /nfs/dbraw/zinc/95/08/17/534950817.db2.gz OIENUARUPLILPL-GOEBONIOSA-N 1 3 246.398 2.897 10 0 BFAEHO CCN(CC)[C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC000226861325 535679943 /nfs/dbraw/zinc/67/99/43/535679943.db2.gz LWUAACCWAQBDEE-KBPBESRZSA-N 1 3 226.408 2.837 10 0 BFAEHO CCN(CC)[C@H]1CC[N@@H+](CC(C)C)[C@@H](C)C1 ZINC000226861325 535679945 /nfs/dbraw/zinc/67/99/45/535679945.db2.gz LWUAACCWAQBDEE-KBPBESRZSA-N 1 3 226.408 2.837 10 0 BFAEHO CCCCCN1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757123528 582498299 /nfs/dbraw/zinc/49/82/99/582498299.db2.gz ACXDYQKKBMQOMG-UONOGXRCSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757123528 582498300 /nfs/dbraw/zinc/49/83/00/582498300.db2.gz ACXDYQKKBMQOMG-UONOGXRCSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757123528 582498302 /nfs/dbraw/zinc/49/83/02/582498302.db2.gz ACXDYQKKBMQOMG-UONOGXRCSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCCN1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757123560 582498493 /nfs/dbraw/zinc/49/84/93/582498493.db2.gz ACXDYQKKBMQOMG-ZIAGYGMSSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757123560 582498495 /nfs/dbraw/zinc/49/84/95/582498495.db2.gz ACXDYQKKBMQOMG-ZIAGYGMSSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757123560 582498496 /nfs/dbraw/zinc/49/84/96/582498496.db2.gz ACXDYQKKBMQOMG-ZIAGYGMSSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1C[NH2+]C[C@@]2(CCCN2CCC2CCC2)C1 ZINC000757126917 582501271 /nfs/dbraw/zinc/50/12/71/582501271.db2.gz HRRSUWBCXJKVMU-DZGCQCFKSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@@H]1CNC[C@@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126917 582501274 /nfs/dbraw/zinc/50/12/74/582501274.db2.gz HRRSUWBCXJKVMU-DZGCQCFKSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@@H]1CNC[C@@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126917 582501276 /nfs/dbraw/zinc/50/12/76/582501276.db2.gz HRRSUWBCXJKVMU-DZGCQCFKSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757127981 582503257 /nfs/dbraw/zinc/50/32/57/582503257.db2.gz ILBDTSFFOUFXBO-NFAWXSAZSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757127981 582503259 /nfs/dbraw/zinc/50/32/59/582503259.db2.gz ILBDTSFFOUFXBO-NFAWXSAZSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757127981 582503260 /nfs/dbraw/zinc/50/32/60/582503260.db2.gz ILBDTSFFOUFXBO-NFAWXSAZSA-N 1 3 236.403 2.782 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132612 582507816 /nfs/dbraw/zinc/50/78/16/582507816.db2.gz ROJXGNDTUUGSQA-MELADBBJSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757132612 582507817 /nfs/dbraw/zinc/50/78/17/582507817.db2.gz ROJXGNDTUUGSQA-MELADBBJSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@H](C)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757132612 582507818 /nfs/dbraw/zinc/50/78/18/582507818.db2.gz ROJXGNDTUUGSQA-MELADBBJSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1(c2ccc([C@H]3CC[C@@H](C[NH3+])CN3)cc2)CC1 ZINC000757217688 586441713 /nfs/dbraw/zinc/44/17/13/586441713.db2.gz RYBQVXCYEXUUBU-SWLSCSKDSA-N 1 3 244.382 2.738 10 0 BFAEHO CCCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CN ZINC000250831036 635499899 /nfs/dbraw/zinc/49/98/99/635499899.db2.gz RDSPOQIQFFAZKA-AVGNSLFASA-N 1 3 212.381 2.672 10 0 BFAEHO CCC1(N)CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000714756664 712497508 /nfs/dbraw/zinc/49/75/08/712497508.db2.gz LDROWTIFFUYSGN-CHWSQXEVSA-N 1 3 224.392 2.768 10 0 BFAEHO CCC1([NH3+])CCN([C@H]2CCc3ccccc32)CC1 ZINC000714756813 712497854 /nfs/dbraw/zinc/49/78/54/712497854.db2.gz GGISRQAJMYMKLM-HNNXBMFYSA-N 1 3 244.382 2.877 10 0 BFAEHO CCC1(N)CC[NH+]([C@H](C(C)C)C2CC2)CC1 ZINC000714757591 712497890 /nfs/dbraw/zinc/49/78/90/712497890.db2.gz AGMJJQBCZKPMQW-CYBMUJFWSA-N 1 3 224.392 2.624 10 0 BFAEHO CCCC1CCC2(CC1)[C@H]([NH3+])CCN2CC ZINC000685952531 538896541 /nfs/dbraw/zinc/89/65/41/538896541.db2.gz ABLBEXAELATDPH-ROKHWSDSSA-N 1 3 224.392 2.768 10 0 BFAEHO Cc1cc(NCc2ccc3c(c2)CNC3)cc[nH+]1 ZINC000097830157 178173491 /nfs/dbraw/zinc/17/34/91/178173491.db2.gz WHAFSEFPGSCXMG-UHFFFAOYSA-N 1 3 239.322 2.605 10 0 BFAEHO C[C@@H]1C[C@@H]([NH3+])CCN1C[C@@H]1CCCCC1(F)F ZINC000381480626 398259255 /nfs/dbraw/zinc/25/92/55/398259255.db2.gz AHIJFDPTHPEJMD-WOPDTQHZSA-N 1 3 246.345 2.624 10 0 BFAEHO CCC(CC)N(CCC[NH2+]C(C)C)CCOC ZINC000042681309 168372177 /nfs/dbraw/zinc/37/21/77/168372177.db2.gz IQZZQNZZZRFOGA-UHFFFAOYSA-N 1 3 244.423 2.512 10 0 BFAEHO CCC(CC)[C@@H](C)[N@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000104436046 168399862 /nfs/dbraw/zinc/39/98/62/168399862.db2.gz WYCPQVQEKZZOHH-HZSPNIEDSA-N 1 3 240.435 2.989 10 0 BFAEHO CCC(CC)[C@@H](C)[N@@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000104436046 168399864 /nfs/dbraw/zinc/39/98/64/168399864.db2.gz WYCPQVQEKZZOHH-HZSPNIEDSA-N 1 3 240.435 2.989 10 0 BFAEHO C[C@@H]1C[C@H](C)[C@@H]([N@H+](C)Cc2ccccc2)[C@@H](N)C1 ZINC000219315144 342856826 /nfs/dbraw/zinc/85/68/26/342856826.db2.gz ZGWOISNBEOJKJB-BFJAYTPKSA-N 1 3 246.398 2.880 10 0 BFAEHO C[C@@H]1C[C@H](C)[C@@H]([N@@H+](C)Cc2ccccc2)[C@@H](N)C1 ZINC000219315144 342856828 /nfs/dbraw/zinc/85/68/28/342856828.db2.gz ZGWOISNBEOJKJB-BFJAYTPKSA-N 1 3 246.398 2.880 10 0 BFAEHO CCCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CCC1 ZINC000584047297 343306588 /nfs/dbraw/zinc/30/65/88/343306588.db2.gz GZVZSTUFPSXRHY-KGLIPLIRSA-N 1 3 238.419 2.935 10 0 BFAEHO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000381327972 345333312 /nfs/dbraw/zinc/33/33/12/345333312.db2.gz RTJRINPTXLRMLF-MGPQQGTHSA-N 1 3 226.408 2.743 10 0 BFAEHO Cc1cccc(C[N@@H+]2CCCN[C@H](C(C)C)C2)c1 ZINC000062622394 179073303 /nfs/dbraw/zinc/07/33/03/179073303.db2.gz QEBHXPWVYZMFQL-INIZCTEOSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1cccc(C[N@H+]2CCCN[C@H](C(C)C)C2)c1 ZINC000062622394 179073306 /nfs/dbraw/zinc/07/33/06/179073306.db2.gz QEBHXPWVYZMFQL-INIZCTEOSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1cccc(CN2CC[C@@H](C)[NH2+][C@H](C)CC2)c1 ZINC000049666833 179078709 /nfs/dbraw/zinc/07/87/09/179078709.db2.gz PGAGQYLGGOMIOM-HUUCEWRRSA-N 1 3 246.398 2.957 10 0 BFAEHO Cc1cccc(CN2C[C@H](C[NH3+])CC[C@@H]2C)c1 ZINC000042427378 179084076 /nfs/dbraw/zinc/08/40/76/179084076.db2.gz FIOZEQNAYRCAIX-ZFWWWQNUSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1CN(C)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000036127817 179268484 /nfs/dbraw/zinc/26/84/84/179268484.db2.gz UEAKVEKHHFPDMH-UKRRQHHQSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1CN ZINC000036127817 179268485 /nfs/dbraw/zinc/26/84/85/179268485.db2.gz UEAKVEKHHFPDMH-UKRRQHHQSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1CN ZINC000036127817 179268487 /nfs/dbraw/zinc/26/84/87/179268487.db2.gz UEAKVEKHHFPDMH-UKRRQHHQSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1CN1CC[C@@H](C)[NH2+][C@H](C)CC1 ZINC000049666752 179274677 /nfs/dbraw/zinc/27/46/77/179274677.db2.gz AAVJGIVBNYAAKF-HUUCEWRRSA-N 1 3 246.398 2.957 10 0 BFAEHO Cc1ccccc1C[N@@H+]1CCCN[C@@H](C(C)C)C1 ZINC000062622393 179275110 /nfs/dbraw/zinc/27/51/10/179275110.db2.gz PUDVELGVVIFUOB-MRXNPFEDSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1ccccc1C[N@H+]1CCCN[C@@H](C(C)C)C1 ZINC000062622393 179275113 /nfs/dbraw/zinc/27/51/13/179275113.db2.gz PUDVELGVVIFUOB-MRXNPFEDSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1ccccc1CN1CC[C@H](C)[NH2+]C[C@H](C)C1 ZINC000049666754 179276646 /nfs/dbraw/zinc/27/66/46/179276646.db2.gz HTQMNEZYOWEPOD-ZFWWWQNUSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1ccccc1[C@H](C)N1CCC[NH2+]CCC1 ZINC000049667729 179334023 /nfs/dbraw/zinc/33/40/23/179334023.db2.gz LPUMJZXDRIZKLV-AWEZNQCLSA-N 1 3 232.371 2.741 10 0 BFAEHO Cc1ccccc1[C@H](C)[NH+]1CCCNCCC1 ZINC000049667729 179334024 /nfs/dbraw/zinc/33/40/24/179334024.db2.gz LPUMJZXDRIZKLV-AWEZNQCLSA-N 1 3 232.371 2.741 10 0 BFAEHO CC[C@H](CC[NH3+])N(Cc1ccccc1)C1CC1 ZINC000036128202 188112763 /nfs/dbraw/zinc/11/27/63/188112763.db2.gz CBFWJUKTHZQEBF-CQSZACIVSA-N 1 3 232.371 2.778 10 0 BFAEHO Cc1cc(N(C)C[C@H](C)C[NH3+])c2ccccc2n1 ZINC000042455717 188119525 /nfs/dbraw/zinc/11/95/25/188119525.db2.gz VILLWDXYVGNTPS-LLVKDONJSA-N 1 3 243.354 2.574 10 0 BFAEHO CCC[NH2+]CC[C@@H]1CCCCN1CCC ZINC000584627511 358297157 /nfs/dbraw/zinc/29/71/57/358297157.db2.gz TZBDMTJNJIUJTR-ZDUSSCGKSA-N 1 3 212.381 2.641 10 0 BFAEHO CC[C@@H]1CC[C@H](CCN2CCCCC2)[N@H+](C)C1 ZINC000584652401 358307645 /nfs/dbraw/zinc/30/76/45/358307645.db2.gz JOLHHPBOZQCLKE-HUUCEWRRSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@@H]1CC[C@H](CCN2CCCCC2)[N@@H+](C)C1 ZINC000584652401 358307647 /nfs/dbraw/zinc/30/76/47/358307647.db2.gz JOLHHPBOZQCLKE-HUUCEWRRSA-N 1 3 238.419 2.983 10 0 BFAEHO CC[C@@H]1CC[C@H](CC[NH+]2CCCCC2)N(C)C1 ZINC000584652401 358307648 /nfs/dbraw/zinc/30/76/48/358307648.db2.gz JOLHHPBOZQCLKE-HUUCEWRRSA-N 1 3 238.419 2.983 10 0 BFAEHO C[C@@H]([NH3+])C[C@@H](C)Nc1ccnc2ccccc21 ZINC000228269952 358372016 /nfs/dbraw/zinc/37/20/16/358372016.db2.gz BMMKQPXRYQZOPO-GHMZBOCLSA-N 1 3 229.327 2.773 10 0 BFAEHO C[C@H]([NH3+])C[C@H](C)Nc1ccnc2ccccc21 ZINC000228269983 358372310 /nfs/dbraw/zinc/37/23/10/358372310.db2.gz BMMKQPXRYQZOPO-QWRGUYRKSA-N 1 3 229.327 2.773 10 0 BFAEHO Cc1cc(N[C@H](C)CC[NH3+])c2ccccc2n1 ZINC000134274677 358785918 /nfs/dbraw/zinc/78/59/18/358785918.db2.gz QFZKGPCKZBRQAS-SNVBAGLBSA-N 1 3 229.327 2.692 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@H]1CCCNC1 ZINC000578738349 366634728 /nfs/dbraw/zinc/63/47/28/366634728.db2.gz JDXVZWXRLBPHBA-MELADBBJSA-N 1 3 238.419 2.933 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@H]1CCCNC1 ZINC000578738348 366634815 /nfs/dbraw/zinc/63/48/15/366634815.db2.gz JDXVZWXRLBPHBA-IHRRRGAJSA-N 1 3 238.419 2.933 10 0 BFAEHO CC(C)(C)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000093683869 360268757 /nfs/dbraw/zinc/26/87/57/360268757.db2.gz DHOMAVAMWADMAX-AWEZNQCLSA-N 1 3 238.419 2.840 10 0 BFAEHO CC(C)(C)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000093683869 360268761 /nfs/dbraw/zinc/26/87/61/360268761.db2.gz DHOMAVAMWADMAX-AWEZNQCLSA-N 1 3 238.419 2.840 10 0 BFAEHO CC(C)(C)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683869 360268766 /nfs/dbraw/zinc/26/87/66/360268766.db2.gz DHOMAVAMWADMAX-AWEZNQCLSA-N 1 3 238.419 2.840 10 0 BFAEHO CC(=[NH2+])N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000306603860 360532558 /nfs/dbraw/zinc/53/25/58/360532558.db2.gz XXDDAPSXPJJOQQ-IUODEOHRSA-N 1 3 245.370 2.626 10 0 BFAEHO [NH3+]CCCNCc1ccc(-c2ccccc2)s1 ZINC000037713730 181382905 /nfs/dbraw/zinc/38/29/05/181382905.db2.gz ULRIDFMQTISOOI-UHFFFAOYSA-N 1 3 246.379 2.854 10 0 BFAEHO Cc1cccc(CC[NH2+][C@H](C)[C@H]2CCCNC2)c1 ZINC000574544103 365087839 /nfs/dbraw/zinc/08/78/39/365087839.db2.gz IJJMSAVRSOCNKD-ZBFHGGJFSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1cccc(CCN[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000574544103 365087847 /nfs/dbraw/zinc/08/78/47/365087847.db2.gz IJJMSAVRSOCNKD-ZBFHGGJFSA-N 1 3 246.398 2.515 10 0 BFAEHO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CN(C)C ZINC000381327969 367381725 /nfs/dbraw/zinc/38/17/25/367381725.db2.gz RTJRINPTXLRMLF-BFHYXJOUSA-N 1 3 226.408 2.743 10 0 BFAEHO CCc1ccccc1CN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000581536065 367554169 /nfs/dbraw/zinc/55/41/69/367554169.db2.gz GAOTYIYSNAKBQN-ZFWWWQNUSA-N 1 3 246.398 2.727 10 0 BFAEHO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000581661300 367662166 /nfs/dbraw/zinc/66/21/66/367662166.db2.gz KOVZJDLXWJDAPW-DGAVXFQQSA-N 1 3 224.392 2.543 10 0 BFAEHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839828 369181839 /nfs/dbraw/zinc/18/18/39/369181839.db2.gz LKKOIISGYQQKBU-AEGPPILISA-N 1 3 232.371 2.664 10 0 BFAEHO CC[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@@H](CN)C1 ZINC000631839828 369181843 /nfs/dbraw/zinc/18/18/43/369181843.db2.gz LKKOIISGYQQKBU-AEGPPILISA-N 1 3 232.371 2.664 10 0 BFAEHO CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839831 369183720 /nfs/dbraw/zinc/18/37/20/369183720.db2.gz LKKOIISGYQQKBU-VHDGCEQUSA-N 1 3 232.371 2.664 10 0 BFAEHO CC[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@@H](CN)C1 ZINC000631839831 369183722 /nfs/dbraw/zinc/18/37/22/369183722.db2.gz LKKOIISGYQQKBU-VHDGCEQUSA-N 1 3 232.371 2.664 10 0 BFAEHO CCC[NH+](CCC)C[C@H]1CCCC[C@@H]1N ZINC000058081478 169148298 /nfs/dbraw/zinc/14/82/98/169148298.db2.gz LDCOPOIAQOLDIC-OLZOCXBDSA-N 1 3 212.381 2.626 10 0 BFAEHO CCC[NH2+][C@@H](C)[C@@H]1CCCN(CC(C)C)C1 ZINC000082646684 169275849 /nfs/dbraw/zinc/27/58/49/169275849.db2.gz RDANJHDVDQPYMF-UONOGXRCSA-N 1 3 226.408 2.743 10 0 BFAEHO CCC[C@@H](C)N(C)Cc1cc(C[NH3+])ccc1F ZINC000036790016 169365574 /nfs/dbraw/zinc/36/55/74/169365574.db2.gz GIFCSTQLLIITSW-LLVKDONJSA-N 1 3 238.350 2.905 10 0 BFAEHO CCC[C@@H](N)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598731 169393026 /nfs/dbraw/zinc/39/30/26/169393026.db2.gz VVVMXLUBHNOKIK-LSDHHAIUSA-N 1 3 232.371 2.603 10 0 BFAEHO CCC[C@@H](N)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598731 169393028 /nfs/dbraw/zinc/39/30/28/169393028.db2.gz VVVMXLUBHNOKIK-LSDHHAIUSA-N 1 3 232.371 2.603 10 0 BFAEHO CCC[C@@H]([NH3+])[C@@H](CC)N(CCOC)[C@@H](C)CC ZINC000042581206 169393170 /nfs/dbraw/zinc/39/31/70/169393170.db2.gz AIJKZYVFGFMJIY-BFHYXJOUSA-N 1 3 244.423 2.639 10 0 BFAEHO CCCCN1CC[C@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC000226858859 134370439 /nfs/dbraw/zinc/37/04/39/134370439.db2.gz WNEWJZZFUPXPLD-KBPBESRZSA-N 1 3 226.408 2.743 10 0 BFAEHO Cc1csc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000518513972 383974003 /nfs/dbraw/zinc/97/40/03/383974003.db2.gz AENGBGBWDVJCTL-RYUDHWBXSA-N 1 3 238.400 2.534 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N)c1cccs1 ZINC000095068314 384330483 /nfs/dbraw/zinc/33/04/83/384330483.db2.gz KYTWHDVLBNFCRS-DCAQKATOSA-N 1 3 224.373 2.669 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N)c1cccs1 ZINC000095068312 384330979 /nfs/dbraw/zinc/33/09/79/384330979.db2.gz KYTWHDVLBNFCRS-GARJFASQSA-N 1 3 224.373 2.669 10 0 BFAEHO C[C@H]([NH2+]CC1CCC(C)CC1)[C@@H]1CCCNC1 ZINC000414865257 385768517 /nfs/dbraw/zinc/76/85/17/385768517.db2.gz ZFSBRRSUBTVNGI-OOJKYFRXSA-N 1 3 238.419 2.790 10 0 BFAEHO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)C(C)(C)C ZINC000336770244 386011252 /nfs/dbraw/zinc/01/12/52/386011252.db2.gz VLHPIZVLMXEMFG-VXGBXAGGSA-N 1 3 214.397 2.598 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)[C@H]1CCCNC1 ZINC000520394171 386662647 /nfs/dbraw/zinc/66/26/47/386662647.db2.gz PNJHIKNDYISGSL-QPSCCSFWSA-N 1 3 238.419 2.933 10 0 BFAEHO Cc1ccccc1C[C@H](C)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400758936 387688604 /nfs/dbraw/zinc/68/86/04/387688604.db2.gz XSHXOVHESPVLDU-SQWLQELKSA-N 1 3 246.398 2.514 10 0 BFAEHO Cc1cccc([C@H](C)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000160208974 388053072 /nfs/dbraw/zinc/05/30/72/388053072.db2.gz YUBODFUCQAKYAY-AEGPPILISA-N 1 3 232.371 2.773 10 0 BFAEHO CCc1cc(N[C@H]2CCCN(CC)C2)cc[nH+]1 ZINC000307774103 388425851 /nfs/dbraw/zinc/42/58/51/388425851.db2.gz RAPJGTIVTZGVAW-AWEZNQCLSA-N 1 3 233.359 2.540 10 0 BFAEHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)[C@H]1CC1(C)C ZINC000397797548 388500215 /nfs/dbraw/zinc/50/02/15/388500215.db2.gz MAJNVRFHTABSIL-XQQFMLRXSA-N 1 3 226.408 2.598 10 0 BFAEHO Cc1ccc(Cl)c([C@H](N)CCC[NH3+])c1F ZINC000575438593 388623911 /nfs/dbraw/zinc/62/39/11/388623911.db2.gz LNQLYKIOVBSPBL-SECBINFHSA-N 1 3 230.714 2.526 10 0 BFAEHO C[C@@H](NCC(C)(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400517267 533354159 /nfs/dbraw/zinc/35/41/59/533354159.db2.gz GLZSQALILQXJRR-KGLIPLIRSA-N 1 3 246.398 2.552 10 0 BFAEHO CC(C)C[NH2+]C[C@H]1CCCCN1c1ccncc1 ZINC000053700664 132363123 /nfs/dbraw/zinc/36/31/23/132363123.db2.gz ANEMETBMFAXJOZ-OAHLLOKOSA-N 1 3 247.386 2.686 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)C1CCCC1 ZINC000222736187 134333991 /nfs/dbraw/zinc/33/39/91/134333991.db2.gz CDSUHGFSBQAMBX-IACUBPJLSA-N 1 3 224.392 2.637 10 0 BFAEHO Cc1cnccc1N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248657385 135018777 /nfs/dbraw/zinc/01/87/77/135018777.db2.gz AJWRORDXUWZQCE-TZMCWYRMSA-N 1 3 233.359 2.531 10 0 BFAEHO Cc1cnccc1N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248657385 135018778 /nfs/dbraw/zinc/01/87/78/135018778.db2.gz AJWRORDXUWZQCE-TZMCWYRMSA-N 1 3 233.359 2.531 10 0 BFAEHO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](C)N)s1 ZINC000261566878 135208336 /nfs/dbraw/zinc/20/83/36/135208336.db2.gz DRKXFBJWCKEANS-GXSJLCMTSA-N 1 3 224.373 2.541 10 0 BFAEHO Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](C)N)s1 ZINC000261566878 135208338 /nfs/dbraw/zinc/20/83/38/135208338.db2.gz DRKXFBJWCKEANS-GXSJLCMTSA-N 1 3 224.373 2.541 10 0 BFAEHO CC(C)C[NH2+][C@H]1CCN(CC(C)C)[C@H](C)C1 ZINC000073656333 167015327 /nfs/dbraw/zinc/01/53/27/167015327.db2.gz NKTOUSHHUKBFNH-KGLIPLIRSA-N 1 3 226.408 2.741 10 0 BFAEHO CSc1ccc(CNC(C)(C)CC[NH3+])cc1 ZINC000258878630 322879149 /nfs/dbraw/zinc/87/91/49/322879149.db2.gz PWZVADFDJSOCJV-UHFFFAOYSA-N 1 3 238.400 2.626 10 0 BFAEHO CC(C)C[NH2+]Cc1ccc(CN2CCCC2)o1 ZINC000052377386 167008506 /nfs/dbraw/zinc/00/85/06/167008506.db2.gz NWODPXCEQBORAY-UHFFFAOYSA-N 1 3 236.359 2.621 10 0 BFAEHO CC(C)[NH2+]Cc1ccoc1CN(C)C(C)C ZINC000052419540 167121121 /nfs/dbraw/zinc/12/11/21/167121121.db2.gz SXTOEEWZIWPLOA-UHFFFAOYSA-N 1 3 224.348 2.618 10 0 BFAEHO CC1CCC(N(C)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000042488245 168158860 /nfs/dbraw/zinc/15/88/60/168158860.db2.gz NGTCSYDLGZKJDL-MOKVOYLWSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1CCN(CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000020071345 168182710 /nfs/dbraw/zinc/18/27/10/168182710.db2.gz YOMAHQAIRLHEKB-OAHLLOKOSA-N 1 3 232.371 2.808 10 0 BFAEHO CC1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022283 168185581 /nfs/dbraw/zinc/18/55/81/168185581.db2.gz PVQNJFGFJSMKOG-CQSZACIVSA-N 1 3 245.370 2.786 10 0 BFAEHO CC1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055022281 168186002 /nfs/dbraw/zinc/18/60/02/168186002.db2.gz PVQNJFGFJSMKOG-AWEZNQCLSA-N 1 3 245.370 2.786 10 0 BFAEHO CCNC1CC[NH+](C2(C)CCCCC2)CC1 ZINC000045046000 170108124 /nfs/dbraw/zinc/10/81/24/170108124.db2.gz FHWYNFRVYLILTR-UHFFFAOYSA-N 1 3 224.392 2.783 10 0 BFAEHO CC[NH2+]C1CCN(C2(C)CCCCC2)CC1 ZINC000045046000 170108127 /nfs/dbraw/zinc/10/81/27/170108127.db2.gz FHWYNFRVYLILTR-UHFFFAOYSA-N 1 3 224.392 2.783 10 0 BFAEHO CC[NH2+]C1CCN(C[C@@H]2CCCC[C@H]2C)CC1 ZINC000042864260 170108370 /nfs/dbraw/zinc/10/83/70/170108370.db2.gz YSKAKQWYOXXQLK-KGLIPLIRSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]CC1(CN(C)C[C@H]2C[C@@H]2C)CCCC1 ZINC000104410732 170111229 /nfs/dbraw/zinc/11/12/29/170111229.db2.gz LORUVOLBWFUQOC-UONOGXRCSA-N 1 3 238.419 2.744 10 0 BFAEHO CCNC[C@H]1CC[N@@H+](C2(C)CCCCC2)C1 ZINC000053034219 170123112 /nfs/dbraw/zinc/12/31/12/170123112.db2.gz DIKRLGBJPANRPI-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNC[C@H]1CC[N@H+](C2(C)CCCCC2)C1 ZINC000053034219 170123114 /nfs/dbraw/zinc/12/31/14/170123114.db2.gz DIKRLGBJPANRPI-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNC[C@](C)(CC)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000051207078 170123295 /nfs/dbraw/zinc/12/32/95/170123295.db2.gz FNEFGVNCAUYSTC-KKUMJFAQSA-N 1 3 240.435 2.990 10 0 BFAEHO CC[NH2+][C@@H]1CCCCC[C@H]1CN1CCCC1 ZINC000053861131 170150711 /nfs/dbraw/zinc/15/07/11/170150711.db2.gz YHNSNKMJJBLACO-UONOGXRCSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[NH2+][C@H]1CCCCC[C@@H]1CN1CCCC1 ZINC000053861130 170166310 /nfs/dbraw/zinc/16/63/10/170166310.db2.gz YHNSNKMJJBLACO-KGLIPLIRSA-N 1 3 224.392 2.641 10 0 BFAEHO CCN[C@H]1CCC[C@@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860434 170166790 /nfs/dbraw/zinc/16/67/90/170166790.db2.gz XUIBGGRSSRYAHN-BARDWOONSA-N 1 3 238.419 2.743 10 0 BFAEHO CCN[C@H]1CCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860434 170166791 /nfs/dbraw/zinc/16/67/91/170166791.db2.gz XUIBGGRSSRYAHN-BARDWOONSA-N 1 3 238.419 2.743 10 0 BFAEHO CC[NH2+][C@H]1CCN(CCC2CCCC2)C[C@@H]1C ZINC000049713038 170166914 /nfs/dbraw/zinc/16/69/14/170166914.db2.gz BMYWZCWOHXONCX-ZFWWWQNUSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[C@@H](CC(F)F)C[N@H+](C)[C@H]1CCCNCC1 ZINC000662266522 412058919 /nfs/dbraw/zinc/05/89/19/412058919.db2.gz ICIXVXLQVCYBIC-RYUDHWBXSA-N 1 3 248.361 2.742 10 0 BFAEHO CC[C@@H](CC(F)F)C[N@@H+](C)[C@H]1CCCNCC1 ZINC000662266522 412058921 /nfs/dbraw/zinc/05/89/21/412058921.db2.gz ICIXVXLQVCYBIC-RYUDHWBXSA-N 1 3 248.361 2.742 10 0 BFAEHO CC1([NH3+])CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000662271228 412063948 /nfs/dbraw/zinc/06/39/48/412063948.db2.gz TYYLMEQWCJFQMX-NSHDSACASA-N 1 3 246.345 2.625 10 0 BFAEHO CC[C@H](C)[N@H+](CC)Cc1cc(CNC)c(C)o1 ZINC000052451000 171311728 /nfs/dbraw/zinc/31/17/28/171311728.db2.gz WOFPNSVIERXMGG-NSHDSACASA-N 1 3 238.375 2.928 10 0 BFAEHO CC[C@H](C)[N@@H+](CC)Cc1cc(CNC)c(C)o1 ZINC000052451000 171311729 /nfs/dbraw/zinc/31/17/29/171311729.db2.gz WOFPNSVIERXMGG-NSHDSACASA-N 1 3 238.375 2.928 10 0 BFAEHO C[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000037646359 173118590 /nfs/dbraw/zinc/11/85/90/173118590.db2.gz FBWXMKCWCSBGES-XJKSGUPXSA-N 1 3 244.382 2.605 10 0 BFAEHO C[N@H+]1CC[C@@H](CN[C@@H]2CCCc3ccccc32)C1 ZINC000037646359 173118592 /nfs/dbraw/zinc/11/85/92/173118592.db2.gz FBWXMKCWCSBGES-XJKSGUPXSA-N 1 3 244.382 2.605 10 0 BFAEHO C[C@@H]1CC[N@H+](CCC2CCCC2)CCCN1 ZINC000049666881 176168003 /nfs/dbraw/zinc/16/80/03/176168003.db2.gz YZRFBMHERIOLKZ-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1CC[N@@H+](CCC2CCCC2)CCCN1 ZINC000049666881 176168005 /nfs/dbraw/zinc/16/80/05/176168005.db2.gz YZRFBMHERIOLKZ-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000020282582 176208867 /nfs/dbraw/zinc/20/88/67/176208867.db2.gz LTPYDUURZCTDIC-WQVCFCJDSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000020282582 176208869 /nfs/dbraw/zinc/20/88/69/176208869.db2.gz LTPYDUURZCTDIC-WQVCFCJDSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1CC[C@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000042427270 176224392 /nfs/dbraw/zinc/22/43/92/176224392.db2.gz VGYIESKFFVSTQD-TZMCWYRMSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1CC[C@H](CN)C[N@H+]1CC1CCCCC1 ZINC000042427270 176224393 /nfs/dbraw/zinc/22/43/93/176224393.db2.gz VGYIESKFFVSTQD-TZMCWYRMSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(CN)c2)C1 ZINC000021951949 176362329 /nfs/dbraw/zinc/36/23/29/176362329.db2.gz QDIVFRZYKVUFLA-CHWSQXEVSA-N 1 3 232.371 2.623 10 0 BFAEHO C[C@@H]1C[C@@H]([NH+]2CCC(N)CC2)CC(C)(C)C1 ZINC000026515068 176371958 /nfs/dbraw/zinc/37/19/58/176371958.db2.gz HOBDBQWSECHTPC-DGCLKSJQSA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@H]1CCCCN1Cc1ccc(F)cc1C[NH3+] ZINC000071249717 177077451 /nfs/dbraw/zinc/07/74/51/177077451.db2.gz BUGAYSCQMNAACJ-NSHDSACASA-N 1 3 236.334 2.659 10 0 BFAEHO C[C@H]1CCC[N@H+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053861948 177099973 /nfs/dbraw/zinc/09/99/73/177099973.db2.gz JGQZZMHHCGQKGJ-IHRRRGAJSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@H]1CCC[N@@H+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053861948 177099975 /nfs/dbraw/zinc/09/99/75/177099975.db2.gz JGQZZMHHCGQKGJ-IHRRRGAJSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H]1CCCC[C@@H]1N ZINC000058081499 177116689 /nfs/dbraw/zinc/11/66/89/177116689.db2.gz YHOBHJWFYLLUOD-CRWXNKLISA-N 1 3 224.392 2.767 10 0 BFAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H]1CCCC[C@@H]1N ZINC000058081499 177116690 /nfs/dbraw/zinc/11/66/90/177116690.db2.gz YHOBHJWFYLLUOD-CRWXNKLISA-N 1 3 224.392 2.767 10 0 BFAEHO C[C@H]1CCCC[C@@H]1[N@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665310 177285592 /nfs/dbraw/zinc/28/55/92/177285592.db2.gz PDMQRKNUFNVTAE-XGUBFFRZSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@H]1CCCC[C@@H]1[N@@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665310 177285593 /nfs/dbraw/zinc/28/55/93/177285593.db2.gz PDMQRKNUFNVTAE-XGUBFFRZSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@H]1CCCC[C@H]1[N@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665313 177285782 /nfs/dbraw/zinc/28/57/82/177285782.db2.gz PDMQRKNUFNVTAE-LJISPDSOSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@H]1CCCC[C@H]1[N@@H+]1C[C@H](C)CNC[C@H](C)C1 ZINC000049665313 177285783 /nfs/dbraw/zinc/28/57/83/177285783.db2.gz PDMQRKNUFNVTAE-LJISPDSOSA-N 1 3 238.419 2.743 10 0 BFAEHO Cc1ccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000400737849 226350744 /nfs/dbraw/zinc/35/07/44/226350744.db2.gz SBDXLEAJGRTQNP-ILXRZTDVSA-N 1 3 246.398 2.952 10 0 BFAEHO C[C@@H]([NH2+]CC1(C)CCCCC1)[C@@H]1CCCNC1 ZINC000569566620 322970484 /nfs/dbraw/zinc/97/04/84/322970484.db2.gz DVKSAJXOFNJQOJ-ZIAGYGMSSA-N 1 3 238.419 2.935 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)[C@@H]1CCCNC1 ZINC000567639941 323034418 /nfs/dbraw/zinc/03/44/18/323034418.db2.gz JUSLYCOYLNKHQN-HTXSYXIBSA-N 1 3 236.403 2.543 10 0 BFAEHO C[C@@H]([NH2+]CC1(C2CC2)CCC1)[C@H]1CCCNC1 ZINC000571038373 323104433 /nfs/dbraw/zinc/10/44/33/323104433.db2.gz QEZBYLSMOGIXMX-OLZOCXBDSA-N 1 3 236.403 2.544 10 0 BFAEHO C[C@H]([NH2+]CC[C@H]1CC=CCC1)[C@@H]1CCCNC1 ZINC000530217500 324533717 /nfs/dbraw/zinc/53/37/17/324533717.db2.gz BSQCNNAUEJJUPB-SOUVJXGZSA-N 1 3 236.403 2.711 10 0 BFAEHO CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000567647056 326238212 /nfs/dbraw/zinc/23/82/12/326238212.db2.gz OXBRRSFJWIXVPX-XDQVBPFNSA-N 1 3 226.408 2.789 10 0 BFAEHO CCC(CC)(CC)C[NH2+]CC[C@@H](C)N ZINC000391322428 488104619 /nfs/dbraw/zinc/10/46/19/488104619.db2.gz GVPXNPDAGUZLRJ-LLVKDONJSA-N 1 3 200.370 2.530 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757134932 582512953 /nfs/dbraw/zinc/51/29/53/582512953.db2.gz XKCXQDILYZKMNP-RDBSUJKOSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@@H](C)NC2 ZINC000757134932 582512956 /nfs/dbraw/zinc/51/29/56/582512956.db2.gz XKCXQDILYZKMNP-RDBSUJKOSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)N1CCC[C@@]12CC[C@@H](C)[NH2+]C2 ZINC000757134932 582512958 /nfs/dbraw/zinc/51/29/58/582512958.db2.gz XKCXQDILYZKMNP-RDBSUJKOSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)C[C@@H](CN)[C@H]1CCCC[NH2+]1 ZINC000238854798 521026716 /nfs/dbraw/zinc/02/67/16/521026716.db2.gz PLFOILFTHVSCAK-RWMBFGLXSA-N 1 3 212.381 2.530 10 0 BFAEHO CC(C)(C[NH2+][C@H]1CCCNCC1)C1=CCCC1 ZINC000308758931 527180708 /nfs/dbraw/zinc/18/07/08/527180708.db2.gz SPBYXBPROYUFLE-AWEZNQCLSA-N 1 3 236.403 2.855 10 0 BFAEHO CCC1CCC([NH2+][C@H](C)[C@@H]2CCCN2)CC1 ZINC000400749772 527858511 /nfs/dbraw/zinc/85/85/11/527858511.db2.gz VHAHFEGIPKCAIT-RYSNWHEDSA-N 1 3 224.392 2.685 10 0 BFAEHO C[C@H]1CC[C@]2(CCC[N@@H+]2CCC2CCC2)CN1 ZINC000757125655 582500181 /nfs/dbraw/zinc/50/01/81/582500181.db2.gz FHBWYPUBNAREIU-DZGCQCFKSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@H]1CC[C@]2(CCC[N@H+]2CCC2CCC2)CN1 ZINC000757125655 582500182 /nfs/dbraw/zinc/50/01/82/582500182.db2.gz FHBWYPUBNAREIU-DZGCQCFKSA-N 1 3 236.403 2.783 10 0 BFAEHO CC1(c2ccc([C@@H]3CCN[C@@H](C[NH3+])C3)cc2)CC1 ZINC000757212732 582560773 /nfs/dbraw/zinc/56/07/73/582560773.db2.gz JSKXHJXLJIBRNF-UKRRQHHQSA-N 1 3 244.382 2.532 10 0 BFAEHO C[C@@H]1CC[C@H](C[NH3+])[C@H](c2cccc3cc[nH]c32)N1 ZINC000757219266 586442282 /nfs/dbraw/zinc/44/22/82/586442282.db2.gz WHJBCEFAIRGYGD-IXPVHAAZSA-N 1 3 243.354 2.556 10 0 BFAEHO CCCCCC(C)(C)C[NH2+]C1CCNCC1 ZINC000087398984 640884074 /nfs/dbraw/zinc/88/40/74/640884074.db2.gz NGIZSWGDGZQSEO-UHFFFAOYSA-N 1 3 226.408 2.935 10 0 BFAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132816 643260492 /nfs/dbraw/zinc/26/04/92/643260492.db2.gz RWCBVGMURFHJIT-MJBXVCDLSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@H](C)[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757132816 643260495 /nfs/dbraw/zinc/26/04/95/643260495.db2.gz RWCBVGMURFHJIT-MJBXVCDLSA-N 1 3 224.392 2.637 10 0 BFAEHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000084217554 644421235 /nfs/dbraw/zinc/42/12/35/644421235.db2.gz RVXBCNOONLEFSA-JSGCOSHPSA-N 1 3 224.392 2.816 10 0 BFAEHO CCC1(N)CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000714756668 712497512 /nfs/dbraw/zinc/49/75/12/712497512.db2.gz LDROWTIFFUYSGN-QWHCGFSZSA-N 1 3 224.392 2.768 10 0 BFAEHO CCC1(N)CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000714756670 712497522 /nfs/dbraw/zinc/49/75/22/712497522.db2.gz LDROWTIFFUYSGN-STQMWFEESA-N 1 3 224.392 2.768 10 0 BFAEHO CCC1([NH3+])CCN([C@@H](C)c2ccccc2)CC1 ZINC000714759293 712497906 /nfs/dbraw/zinc/49/79/06/712497906.db2.gz PQYXGKRYHSJWKJ-ZDUSSCGKSA-N 1 3 232.371 2.951 10 0 BFAEHO CCN1CC[C@H]([NH3+])C12CCC(C(C)C)CC2 ZINC000685955068 538899728 /nfs/dbraw/zinc/89/97/28/538899728.db2.gz RWDCVWBVCJJKQE-MOKVOYLWSA-N 1 3 224.392 2.624 10 0 BFAEHO CC(C)(C)CCC[NH2+][C@@H]1CCCNCC1 ZINC000313299085 398191711 /nfs/dbraw/zinc/19/17/11/398191711.db2.gz NDTGVWNEBWMKAB-GFCCVEGCSA-N 1 3 212.381 2.544 10 0 BFAEHO CC(C)C(C[NH2+][C@@H](C)[C@@H]1CCCNC1)C(C)C ZINC000576338141 365568987 /nfs/dbraw/zinc/56/89/87/365568987.db2.gz ROXIWVSUAWALEN-UONOGXRCSA-N 1 3 240.435 2.892 10 0 BFAEHO CCC1(C)CC[NH+]([C@H]2CCN[C@@H](C)C2)CC1 ZINC000229546807 538939545 /nfs/dbraw/zinc/93/95/45/538939545.db2.gz VSBPRJUTXNMCLK-STQMWFEESA-N 1 3 224.392 2.639 10 0 BFAEHO CCC1(C)CC[NH+]([C@H]2CCN[C@H](C)C2)CC1 ZINC000229546824 538939309 /nfs/dbraw/zinc/93/93/09/538939309.db2.gz VSBPRJUTXNMCLK-OLZOCXBDSA-N 1 3 224.392 2.639 10 0 BFAEHO CN(C[C@@H]1CCCCC1(F)F)CC(C)(C)C[NH3+] ZINC000381584115 398254037 /nfs/dbraw/zinc/25/40/37/398254037.db2.gz CGKPNIOZJVKERC-NSHDSACASA-N 1 3 248.361 2.729 10 0 BFAEHO C[N@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)CN ZINC000381584115 398254042 /nfs/dbraw/zinc/25/40/42/398254042.db2.gz CGKPNIOZJVKERC-NSHDSACASA-N 1 3 248.361 2.729 10 0 BFAEHO C[N@@H+](C[C@@H]1CCCCC1(F)F)CC(C)(C)CN ZINC000381584115 398254046 /nfs/dbraw/zinc/25/40/46/398254046.db2.gz CGKPNIOZJVKERC-NSHDSACASA-N 1 3 248.361 2.729 10 0 BFAEHO CCC(CC)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915987 168376325 /nfs/dbraw/zinc/37/63/25/168376325.db2.gz MJFDYYOKWORDGE-OCCSQVGLSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@@H]1C[C@H](C)[C@H]([N@H+](C)Cc2ccccc2)[C@@H](N)C1 ZINC000227325885 344019469 /nfs/dbraw/zinc/01/94/69/344019469.db2.gz ZGWOISNBEOJKJB-VRKREXBASA-N 1 3 246.398 2.880 10 0 BFAEHO C[C@@H]1C[C@H](C)[C@H]([N@@H+](C)Cc2ccccc2)[C@@H](N)C1 ZINC000227325885 344019472 /nfs/dbraw/zinc/01/94/72/344019472.db2.gz ZGWOISNBEOJKJB-VRKREXBASA-N 1 3 246.398 2.880 10 0 BFAEHO C=Cc1ccc(CN2CCC[C@@H](C[NH3+])C2)cc1 ZINC000409423396 343815425 /nfs/dbraw/zinc/81/54/25/343815425.db2.gz NYQCPQNYSAOCIV-HNNXBMFYSA-N 1 3 230.355 2.500 10 0 BFAEHO C[C@H]1CN(Cc2cccc(C3CC3)c2)C[C@@H]1C[NH3+] ZINC000634999019 345199355 /nfs/dbraw/zinc/19/93/55/345199355.db2.gz OXEMMGOJBZQOGZ-LRDDRELGSA-N 1 3 244.382 2.591 10 0 BFAEHO Cc1cccc(C[N@@H+]2CCCNC(C)(C)C2)c1 ZINC000062615844 179073820 /nfs/dbraw/zinc/07/38/20/179073820.db2.gz ZWQFDYCIOVSJQB-UHFFFAOYSA-N 1 3 232.371 2.569 10 0 BFAEHO Cc1cccc(C[N@H+]2CCCNC(C)(C)C2)c1 ZINC000062615844 179073821 /nfs/dbraw/zinc/07/38/21/179073821.db2.gz ZWQFDYCIOVSJQB-UHFFFAOYSA-N 1 3 232.371 2.569 10 0 BFAEHO Cc1cccc(CN(C)C[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000053881032 179066785 /nfs/dbraw/zinc/06/67/85/179066785.db2.gz DSLPWEXLQZQVAO-CABCVRRESA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1cccc(CN2CC[C@H](C)[NH2+][C@@H](C)CC2)c1 ZINC000049666834 179082503 /nfs/dbraw/zinc/08/25/03/179082503.db2.gz PGAGQYLGGOMIOM-GJZGRUSLSA-N 1 3 246.398 2.957 10 0 BFAEHO Cc1ccccc1CN(C)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000053859354 179270483 /nfs/dbraw/zinc/27/04/83/179270483.db2.gz BQHBBXURGOWSDM-HOTGVXAUSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1CN ZINC000036127802 179269134 /nfs/dbraw/zinc/26/91/34/179269134.db2.gz QDNPXXFVVLHUEJ-ZBFHGGJFSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1CN ZINC000036127802 179269136 /nfs/dbraw/zinc/26/91/36/179269136.db2.gz QDNPXXFVVLHUEJ-ZBFHGGJFSA-N 1 3 246.398 2.944 10 0 BFAEHO Cc1ccccc1CN(C)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000036127802 179269137 /nfs/dbraw/zinc/26/91/37/179269137.db2.gz QDNPXXFVVLHUEJ-ZBFHGGJFSA-N 1 3 246.398 2.944 10 0 BFAEHO C[C@@]12CC[C@@](C)(C[C@@H](N)C1)[N@@H+]2Cc1ccccc1 ZINC000616582455 349295897 /nfs/dbraw/zinc/29/58/97/349295897.db2.gz PZHVCUVKRHQEDF-MUJYYYPQSA-N 1 3 244.382 2.921 10 0 BFAEHO C[C@@]12CC[C@@](C)(C[C@@H](N)C1)[N@H+]2Cc1ccccc1 ZINC000616582455 349295899 /nfs/dbraw/zinc/29/58/99/349295899.db2.gz PZHVCUVKRHQEDF-MUJYYYPQSA-N 1 3 244.382 2.921 10 0 BFAEHO CN(C)[C@@H]1CCCCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000606304170 351561481 /nfs/dbraw/zinc/56/14/81/351561481.db2.gz QXYNAXVCGREYHQ-BFHYXJOUSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@H]([NH2+]CC1CCC(C)CC1)[C@H]1CCCNC1 ZINC000414865258 191605620 /nfs/dbraw/zinc/60/56/20/191605620.db2.gz ZFSBRRSUBTVNGI-SHWKFHJASA-N 1 3 238.419 2.790 10 0 BFAEHO CCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CCCC1 ZINC000582779547 357390407 /nfs/dbraw/zinc/39/04/07/357390407.db2.gz SPIAHDYBAORNQG-ZIAGYGMSSA-N 1 3 238.419 2.935 10 0 BFAEHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000583078287 357473743 /nfs/dbraw/zinc/47/37/43/357473743.db2.gz KGAMYDHMBPKMIY-KBXIAJHMSA-N 1 3 238.419 2.933 10 0 BFAEHO CCC[NH2+]CC[C@H]1CCCCN1CCC ZINC000584627510 358297389 /nfs/dbraw/zinc/29/73/89/358297389.db2.gz TZBDMTJNJIUJTR-CYBMUJFWSA-N 1 3 212.381 2.641 10 0 BFAEHO CC[NH2+]CCCNc1ccnc2ccccc21 ZINC000041721409 358334870 /nfs/dbraw/zinc/33/48/70/358334870.db2.gz ZRZYLIBNVNDNQW-UHFFFAOYSA-N 1 3 229.327 2.646 10 0 BFAEHO CC(C)[C@H]([NH3+])CNc1ccnc2ccccc21 ZINC000070447970 359056439 /nfs/dbraw/zinc/05/64/39/359056439.db2.gz CKHJNXVCPQRCTL-GFCCVEGCSA-N 1 3 229.327 2.630 10 0 BFAEHO CC(C)[C@@H]([NH3+])CNc1ccnc2ccccc21 ZINC000070447971 359056539 /nfs/dbraw/zinc/05/65/39/359056539.db2.gz CKHJNXVCPQRCTL-LBPRGKRZSA-N 1 3 229.327 2.630 10 0 BFAEHO CCCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CC1 ZINC000578497631 366580279 /nfs/dbraw/zinc/58/02/79/366580279.db2.gz PRFMLRCJXMKYIP-QWHCGFSZSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCCC1(C)C)[C@@H]1CCCNC1 ZINC000578738350 366634429 /nfs/dbraw/zinc/63/44/29/366634429.db2.gz JDXVZWXRLBPHBA-MJBXVCDLSA-N 1 3 238.419 2.933 10 0 BFAEHO NC1CC[NH+](C2CCCCCCC2)CC1 ZINC000019441844 181343285 /nfs/dbraw/zinc/34/32/85/181343285.db2.gz CGRJQNUEEBXTSJ-UHFFFAOYSA-N 1 3 210.365 2.522 10 0 BFAEHO [NH3+]C1CCN(C2CCCCCCC2)CC1 ZINC000019441844 181343286 /nfs/dbraw/zinc/34/32/86/181343286.db2.gz CGRJQNUEEBXTSJ-UHFFFAOYSA-N 1 3 210.365 2.522 10 0 BFAEHO C[N@H+](Cc1ccccc1)[C@@H]1CCNCC1(C)C ZINC000306566376 372037494 /nfs/dbraw/zinc/03/74/94/372037494.db2.gz ZLRSLXGSAZTYMF-CQSZACIVSA-N 1 3 232.371 2.507 10 0 BFAEHO C[N@@H+](Cc1ccccc1)[C@@H]1CCNCC1(C)C ZINC000306566376 372037500 /nfs/dbraw/zinc/03/75/00/372037500.db2.gz ZLRSLXGSAZTYMF-CQSZACIVSA-N 1 3 232.371 2.507 10 0 BFAEHO CCC[N@H+](Cc1ccc(F)cc1CN)C(C)C ZINC000071250185 169175556 /nfs/dbraw/zinc/17/55/56/169175556.db2.gz JMFOTKKPQXAJFR-UHFFFAOYSA-N 1 3 238.350 2.905 10 0 BFAEHO CCC[N@@H+](Cc1ccc(F)cc1CN)C(C)C ZINC000071250185 169175558 /nfs/dbraw/zinc/17/55/58/169175558.db2.gz JMFOTKKPQXAJFR-UHFFFAOYSA-N 1 3 238.350 2.905 10 0 BFAEHO CCCN1CC[C@@H](C[NH2+]C2CCCCC2)C1 ZINC000076453351 169207667 /nfs/dbraw/zinc/20/76/67/169207667.db2.gz ZWYXTXUOOXQSAM-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO CCC[NH2+]C[C@](C)(CC)CN(C)C[C@@H]1C[C@@H]1C ZINC000104409516 169264983 /nfs/dbraw/zinc/26/49/83/169264983.db2.gz YYUQJSYKJZVJBX-KKUMJFAQSA-N 1 3 240.435 2.990 10 0 BFAEHO CCCNCc1occc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543825 169269473 /nfs/dbraw/zinc/26/94/73/169269473.db2.gz YOBZIGGJOZJBFP-GXTWGEPZSA-N 1 3 248.370 2.764 10 0 BFAEHO CCCNCc1occc1C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000052543825 169269475 /nfs/dbraw/zinc/26/94/75/169269475.db2.gz YOBZIGGJOZJBFP-GXTWGEPZSA-N 1 3 248.370 2.764 10 0 BFAEHO CCC[NH2+]Cc1occc1CN1C[C@H]2CC[C@@H]1C2 ZINC000052543825 169269477 /nfs/dbraw/zinc/26/94/77/169269477.db2.gz YOBZIGGJOZJBFP-GXTWGEPZSA-N 1 3 248.370 2.764 10 0 BFAEHO CCC[NH2+][C@@H]1CCC[C@@H]1CN1CCC[C@H](C)C1 ZINC000053861883 169282428 /nfs/dbraw/zinc/28/24/28/169282428.db2.gz LFDWXHQLXWXSSP-RRFJBIMHSA-N 1 3 238.419 2.887 10 0 BFAEHO CCC[C@@H](C)N(C)Cc1ccccc1C(N)=[NH2+] ZINC000036790817 169365335 /nfs/dbraw/zinc/36/53/35/169365335.db2.gz KNGBZBPKAWOVGZ-LLVKDONJSA-N 1 3 233.359 2.591 10 0 BFAEHO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1N)c1cccs1 ZINC000095068315 384329101 /nfs/dbraw/zinc/32/91/01/384329101.db2.gz KYTWHDVLBNFCRS-VWYCJHECSA-N 1 3 224.373 2.669 10 0 BFAEHO FC1(F)CCCC[C@H]1CN[C@H]1CCC[NH2+]CC1 ZINC000335662743 384469105 /nfs/dbraw/zinc/46/91/05/384469105.db2.gz LWXODADFTCPMCF-RYUDHWBXSA-N 1 3 246.345 2.544 10 0 BFAEHO FC1(F)CCCC[C@H]1C[NH2+][C@H]1CCCNCC1 ZINC000335662743 384469110 /nfs/dbraw/zinc/46/91/10/384469110.db2.gz LWXODADFTCPMCF-RYUDHWBXSA-N 1 3 246.345 2.544 10 0 BFAEHO CC(C)(CCN)[NH2+]CCC1CCCCC1 ZINC000258923415 384950466 /nfs/dbraw/zinc/95/04/66/384950466.db2.gz UUJXWEAUWDTMEC-UHFFFAOYSA-N 1 3 212.381 2.674 10 0 BFAEHO CC1(C)[C@H]([NH3+])C[C@@H]1NC[C@H]1CCCCC1(F)F ZINC000405346064 385508481 /nfs/dbraw/zinc/50/84/81/385508481.db2.gz GKTGPRSRDYGXQV-MXWKQRLJSA-N 1 3 246.345 2.527 10 0 BFAEHO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)CN ZINC000336677705 385610937 /nfs/dbraw/zinc/61/09/37/385610937.db2.gz QGRCNIRMWNJFIE-REWJHTLYSA-N 1 3 226.408 2.632 10 0 BFAEHO FC1(F)CCC(C[NH2+][C@H]2CCCNCC2)CC1 ZINC000335023542 385985403 /nfs/dbraw/zinc/98/54/03/385985403.db2.gz QYMBRDHQGUPDHO-LBPRGKRZSA-N 1 3 246.345 2.544 10 0 BFAEHO CC[C@H]([NH2+]C[C@H](C)CN(C)C)C(C)(C)C ZINC000336770243 386010357 /nfs/dbraw/zinc/01/03/57/386010357.db2.gz VLHPIZVLMXEMFG-RYUDHWBXSA-N 1 3 214.397 2.598 10 0 BFAEHO CC[C@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)C ZINC000336742771 386248377 /nfs/dbraw/zinc/24/83/77/386248377.db2.gz SMTJSIQPJDEQQE-ZDUSSCGKSA-N 1 3 224.392 2.663 10 0 BFAEHO C[C@H]([NH2+]CC[C@@H]1CC=CCC1)[C@@H]1CCCNC1 ZINC000530217499 388630769 /nfs/dbraw/zinc/63/07/69/388630769.db2.gz BSQCNNAUEJJUPB-RRFJBIMHSA-N 1 3 236.403 2.711 10 0 BFAEHO C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCCNC1 ZINC000521858961 388634313 /nfs/dbraw/zinc/63/43/13/388634313.db2.gz HNRGZVBGJFKMSQ-MNOVXSKESA-N 1 3 246.345 2.542 10 0 BFAEHO CC(C)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000564826349 388891450 /nfs/dbraw/zinc/89/14/50/388891450.db2.gz OKSCECXOFCQAAX-CHWSQXEVSA-N 1 3 226.408 2.646 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](N(C)C)C1)c1cccs1 ZINC000222740420 134334229 /nfs/dbraw/zinc/33/42/29/134334229.db2.gz KAKMUGLLYAQKSX-QJPTWQEYSA-N 1 3 238.400 2.881 10 0 BFAEHO Cc1cc(NC[C@H]([NH3+])C(C)C)c2ccccc2n1 ZINC000070463578 134918940 /nfs/dbraw/zinc/91/89/40/134918940.db2.gz YZWBSKHEFMAIOR-ZDUSSCGKSA-N 1 3 243.354 2.938 10 0 BFAEHO Cc1ccccc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000258664636 135132878 /nfs/dbraw/zinc/13/28/78/135132878.db2.gz DZOPCOFKOSRINW-CQSZACIVSA-N 1 3 232.371 2.554 10 0 BFAEHO CC1(C)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000261558053 135198536 /nfs/dbraw/zinc/19/85/36/135198536.db2.gz SESCNTBFDDUBMD-AWEZNQCLSA-N 1 3 230.355 2.568 10 0 BFAEHO C[C@@H](C[N@@H+]1CC[C@@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568836 135210583 /nfs/dbraw/zinc/21/05/83/135210583.db2.gz JMCRWYANAIOYDP-DZGCQCFKSA-N 1 3 246.398 2.849 10 0 BFAEHO C[C@@H](C[N@H+]1CC[C@@H](N)C(C)(C)C1)c1ccccc1 ZINC000261568836 135210584 /nfs/dbraw/zinc/21/05/84/135210584.db2.gz JMCRWYANAIOYDP-DZGCQCFKSA-N 1 3 246.398 2.849 10 0 BFAEHO CC(C)[NH2+]Cc1ccc(CN2CCCC2)s1 ZINC000045206495 167118818 /nfs/dbraw/zinc/11/88/18/167118818.db2.gz FHRUIUIRTZYEMU-UHFFFAOYSA-N 1 3 238.400 2.842 10 0 BFAEHO CC1CCC([N@@H+]2CCCN[C@@H](C)CC2)CC1 ZINC000049665429 168160624 /nfs/dbraw/zinc/16/06/24/168160624.db2.gz WAMPAMMDIIWPJJ-MOKVOYLWSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1CCC([N@H+]2CCCN[C@@H](C)CC2)CC1 ZINC000049665429 168160628 /nfs/dbraw/zinc/16/06/28/168160628.db2.gz WAMPAMMDIIWPJJ-MOKVOYLWSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1CC[NH+]([C@@H]2CCCCC[C@H]2CN)CC1 ZINC000037156820 168186743 /nfs/dbraw/zinc/18/67/43/168186743.db2.gz NAAHPVUONYRANY-UONOGXRCSA-N 1 3 224.392 2.626 10 0 BFAEHO CC[NH2+]C1CCN(C2CCC(C)CC2)CC1 ZINC000037242075 170108801 /nfs/dbraw/zinc/10/88/01/170108801.db2.gz TVVQWLVTKUMGBB-UHFFFAOYSA-N 1 3 224.392 2.639 10 0 BFAEHO CCNC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000037242075 170108802 /nfs/dbraw/zinc/10/88/02/170108802.db2.gz TVVQWLVTKUMGBB-UHFFFAOYSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[NH2+]Cc1cc(CN(C)[C@H](C)CC)oc1C ZINC000052444052 170125514 /nfs/dbraw/zinc/12/55/14/170125514.db2.gz YXFHLBQQABYBNF-LLVKDONJSA-N 1 3 238.375 2.928 10 0 BFAEHO CCNCc1occc1C[N@H+](C)C1CCCC1 ZINC000052444778 170132725 /nfs/dbraw/zinc/13/27/25/170132725.db2.gz FASGSBZMXOAYNJ-UHFFFAOYSA-N 1 3 236.359 2.764 10 0 BFAEHO CCNCc1occc1C[N@@H+](C)C1CCCC1 ZINC000052444778 170132727 /nfs/dbraw/zinc/13/27/27/170132727.db2.gz FASGSBZMXOAYNJ-UHFFFAOYSA-N 1 3 236.359 2.764 10 0 BFAEHO CCN[C@@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000052340283 170152212 /nfs/dbraw/zinc/15/22/12/170152212.db2.gz JXIZOKLXUIKYRP-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000052340283 170152214 /nfs/dbraw/zinc/15/22/14/170152214.db2.gz JXIZOKLXUIKYRP-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN[C@@H]1CC[N@@H+]([C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000049710617 170152465 /nfs/dbraw/zinc/15/24/65/170152465.db2.gz BZARUEZFGVUCLD-BYNSBNAKSA-N 1 3 238.419 2.885 10 0 BFAEHO CCN[C@@H]1CC[N@H+]([C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000049710617 170152467 /nfs/dbraw/zinc/15/24/67/170152467.db2.gz BZARUEZFGVUCLD-BYNSBNAKSA-N 1 3 238.419 2.885 10 0 BFAEHO CC[NH2+][C@@H]1CCN([C@@H]2CCC[C@H](C)C2)C[C@@H]1C ZINC000049710617 170152469 /nfs/dbraw/zinc/15/24/69/170152469.db2.gz BZARUEZFGVUCLD-BYNSBNAKSA-N 1 3 238.419 2.885 10 0 BFAEHO CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CN(C)CC(C)C ZINC000053865787 170152875 /nfs/dbraw/zinc/15/28/75/170152875.db2.gz QZVNIKRUZZBBNN-RBSFLKMASA-N 1 3 240.435 2.989 10 0 BFAEHO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1CN(C)CC(C)C ZINC000053865788 170169149 /nfs/dbraw/zinc/16/91/49/170169149.db2.gz QZVNIKRUZZBBNN-KFWWJZLASA-N 1 3 240.435 2.989 10 0 BFAEHO CC[C@@H]1CC[N@H+](CC2CCCC2)CCCN1 ZINC000049665998 171008262 /nfs/dbraw/zinc/00/82/62/171008262.db2.gz WWMHGFUPBSSZBM-CQSZACIVSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[C@@H]1CC[N@@H+](CC2CCCC2)CCCN1 ZINC000049665998 171008264 /nfs/dbraw/zinc/00/82/64/171008264.db2.gz WWMHGFUPBSSZBM-CQSZACIVSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[C@H](CC(F)F)C[N@H+](C)[C@@H]1CCCNCC1 ZINC000662266523 412058740 /nfs/dbraw/zinc/05/87/40/412058740.db2.gz ICIXVXLQVCYBIC-VXGBXAGGSA-N 1 3 248.361 2.742 10 0 BFAEHO CC[C@H](CC(F)F)C[N@@H+](C)[C@@H]1CCCNCC1 ZINC000662266523 412058744 /nfs/dbraw/zinc/05/87/44/412058744.db2.gz ICIXVXLQVCYBIC-VXGBXAGGSA-N 1 3 248.361 2.742 10 0 BFAEHO CC[C@@H]1CC[C@H](N)[C@H](C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000053861914 171055424 /nfs/dbraw/zinc/05/54/24/171055424.db2.gz RSZOKTKWEGNNMG-XGUBFFRZSA-N 1 3 238.419 2.872 10 0 BFAEHO CC[C@@H]1CC[C@H](N)[C@H](C[N@H+]2CCC[C@H](C)C2)C1 ZINC000053861914 171055426 /nfs/dbraw/zinc/05/54/26/171055426.db2.gz RSZOKTKWEGNNMG-XGUBFFRZSA-N 1 3 238.419 2.872 10 0 BFAEHO CC[C@H](C)N(CC)Cc1ccccc1C(N)=[NH2+] ZINC000037113332 171311973 /nfs/dbraw/zinc/31/19/73/171311973.db2.gz BQNHGKJJNXUBEN-NSHDSACASA-N 1 3 233.359 2.591 10 0 BFAEHO CNC1CC[NH+]([C@H](C)C2CCCCC2)CC1 ZINC000052340264 173324381 /nfs/dbraw/zinc/32/43/81/173324381.db2.gz NBXZNNMNEDLYRT-GFCCVEGCSA-N 1 3 224.392 2.639 10 0 BFAEHO C[NH2+]C1CCN([C@H](C)C2CCCCC2)CC1 ZINC000052340264 173324382 /nfs/dbraw/zinc/32/43/82/173324382.db2.gz NBXZNNMNEDLYRT-GFCCVEGCSA-N 1 3 224.392 2.639 10 0 BFAEHO CNCc1cc(C[N@@H+]2CCCC2(C)C)oc1C ZINC000063073816 173386567 /nfs/dbraw/zinc/38/65/67/173386567.db2.gz MFOQIBPNMODWKF-UHFFFAOYSA-N 1 3 236.359 2.682 10 0 BFAEHO CNCc1cc(C[N@H+]2CCCC2(C)C)oc1C ZINC000063073816 173386569 /nfs/dbraw/zinc/38/65/69/173386569.db2.gz MFOQIBPNMODWKF-UHFFFAOYSA-N 1 3 236.359 2.682 10 0 BFAEHO CNCc1cc(C[N@H+](C)C2CCCC2)c(C)o1 ZINC000052444998 173386790 /nfs/dbraw/zinc/38/67/90/173386790.db2.gz YJGPLPMIBQZRQD-UHFFFAOYSA-N 1 3 236.359 2.682 10 0 BFAEHO CNCc1cc(C[N@@H+](C)C2CCCC2)c(C)o1 ZINC000052444998 173386792 /nfs/dbraw/zinc/38/67/92/173386792.db2.gz YJGPLPMIBQZRQD-UHFFFAOYSA-N 1 3 236.359 2.682 10 0 BFAEHO CNCc1ccoc1C[NH+]1CCCCCCC1 ZINC000052424920 173391289 /nfs/dbraw/zinc/39/12/89/173391289.db2.gz KRIAOLARCAARJS-UHFFFAOYSA-N 1 3 236.359 2.765 10 0 BFAEHO C[NH2+][C@@H]1CCCCC[C@H]1CN1CCC(C)CC1 ZINC000053860987 173431243 /nfs/dbraw/zinc/43/12/43/173431243.db2.gz UPHCCRXTUIKUHS-LSDHHAIUSA-N 1 3 238.419 2.887 10 0 BFAEHO C[C@@H]1CCC[N@@H+]1Cc1occc1CNC1CC1 ZINC000052375697 176109498 /nfs/dbraw/zinc/10/94/98/176109498.db2.gz XVHGMZVICMDNFC-LLVKDONJSA-N 1 3 234.343 2.516 10 0 BFAEHO C[C@@H]1CCC[N@H+]1Cc1occc1CNC1CC1 ZINC000052375697 176109499 /nfs/dbraw/zinc/10/94/99/176109499.db2.gz XVHGMZVICMDNFC-LLVKDONJSA-N 1 3 234.343 2.516 10 0 BFAEHO C[C@@H]1CCC[C@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000050910666 176152257 /nfs/dbraw/zinc/15/22/57/176152257.db2.gz GKJFGKSYIVOKJJ-CJNGLKHVSA-N 1 3 244.382 2.910 10 0 BFAEHO C[C@@H]1CC[NH+](C(C2CC2)C2CC2)CC[C@@H](C)N1 ZINC000049668079 176165318 /nfs/dbraw/zinc/16/53/18/176165318.db2.gz VRCDSKMPWBGALP-VXGBXAGGSA-N 1 3 236.403 2.637 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@H](C[N@H+](C)CC2CCCC2)C1 ZINC000104366325 176208888 /nfs/dbraw/zinc/20/88/88/176208888.db2.gz ZOKVYBMKGARNSD-VHDGCEQUSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@@H]1CC[C@@H](N)[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC000104366325 176208891 /nfs/dbraw/zinc/20/88/91/176208891.db2.gz ZOKVYBMKGARNSD-VHDGCEQUSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCC[C@@H]1N ZINC000053861510 177076321 /nfs/dbraw/zinc/07/63/21/177076321.db2.gz SHZMGOOGBKOOAC-IHRRRGAJSA-N 1 3 224.392 2.768 10 0 BFAEHO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCCC[C@@H]1N ZINC000053861510 177076322 /nfs/dbraw/zinc/07/63/22/177076322.db2.gz SHZMGOOGBKOOAC-IHRRRGAJSA-N 1 3 224.392 2.768 10 0 BFAEHO C[C@H]1CCCCN1C[C@@H](C[NH3+])c1ccccc1 ZINC000035731274 177076885 /nfs/dbraw/zinc/07/68/85/177076885.db2.gz SRTRUOKCHVSCLA-DZGCQCFKSA-N 1 3 232.371 2.603 10 0 BFAEHO C[C@H]1CCC[N@H+](Cc2ccccc2CN)CC1 ZINC000104346201 177101761 /nfs/dbraw/zinc/10/17/61/177101761.db2.gz OQGNUPJNIHUNMG-ZDUSSCGKSA-N 1 3 232.371 2.767 10 0 BFAEHO C[C@H]1CCC[N@@H+](Cc2ccccc2CN)CC1 ZINC000104346201 177101762 /nfs/dbraw/zinc/10/17/62/177101762.db2.gz OQGNUPJNIHUNMG-ZDUSSCGKSA-N 1 3 232.371 2.767 10 0 BFAEHO C[C@H]1CCC[C@H]([N@H+](C)Cc2cc(CN)co2)C1 ZINC000052513883 177134251 /nfs/dbraw/zinc/13/42/51/177134251.db2.gz VCMAYTOTMMGBEM-AAEUAGOBSA-N 1 3 236.359 2.749 10 0 BFAEHO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cc(CN)co2)C1 ZINC000052513883 177134252 /nfs/dbraw/zinc/13/42/52/177134252.db2.gz VCMAYTOTMMGBEM-AAEUAGOBSA-N 1 3 236.359 2.749 10 0 BFAEHO C[C@H]1CC[N@H+](CC2CCCCC2)CCCN1 ZINC000049666062 177158930 /nfs/dbraw/zinc/15/89/30/177158930.db2.gz BBCGJURSAZMECQ-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@H]1CC[N@@H+](CC2CCCCC2)CCCN1 ZINC000049666062 177158931 /nfs/dbraw/zinc/15/89/31/177158931.db2.gz BBCGJURSAZMECQ-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@H]1CN([C@@H]2CCCc3ccccc32)CC[C@@H]1[NH3+] ZINC000051632024 177274934 /nfs/dbraw/zinc/27/49/34/177274934.db2.gz BULSVQZRDXQINU-VBNZEHGJSA-N 1 3 244.382 2.733 10 0 BFAEHO C[C@@H]1CNC[C@H](C)C[N@@H+](CC2(C)CCCC2)C1 ZINC000104442356 177285505 /nfs/dbraw/zinc/28/55/05/177285505.db2.gz LSZMLHXDAVBEHI-OKILXGFUSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@@H]1CNC[C@H](C)C[N@H+](CC2(C)CCCC2)C1 ZINC000104442356 177285508 /nfs/dbraw/zinc/28/55/08/177285508.db2.gz LSZMLHXDAVBEHI-OKILXGFUSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@@H+](CC[C@H](N)C(C)(C)C)C1 ZINC000054026888 177313854 /nfs/dbraw/zinc/31/38/54/177313854.db2.gz RRGYANIFFHSZQY-XQQFMLRXSA-N 1 3 226.408 2.728 10 0 BFAEHO C[C@@H]1C[C@H](C)C[N@H+](CC[C@H](N)C(C)(C)C)C1 ZINC000054026888 177313856 /nfs/dbraw/zinc/31/38/56/177313856.db2.gz RRGYANIFFHSZQY-XQQFMLRXSA-N 1 3 226.408 2.728 10 0 BFAEHO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(CN)c2)C1 ZINC000021951953 177358571 /nfs/dbraw/zinc/35/85/71/177358571.db2.gz QDIVFRZYKVUFLA-STQMWFEESA-N 1 3 232.371 2.623 10 0 BFAEHO C[C@@H]1C(N)[C@@H](C)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592757 177423691 /nfs/dbraw/zinc/42/36/91/177423691.db2.gz ZOZDGKPSUAGAMX-JYMWAKCPSA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@@H]1C(N)[C@@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592757 177423692 /nfs/dbraw/zinc/42/36/92/177423692.db2.gz ZOZDGKPSUAGAMX-JYMWAKCPSA-N 1 3 246.398 2.879 10 0 BFAEHO CC(C)[C@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000319545638 487674790 /nfs/dbraw/zinc/67/47/90/487674790.db2.gz NZHJOEAQYWRAGX-IMJJTQAJSA-N 1 3 246.398 2.705 10 0 BFAEHO CC(C)[C@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1 ZINC000319545638 487674797 /nfs/dbraw/zinc/67/47/97/487674797.db2.gz NZHJOEAQYWRAGX-IMJJTQAJSA-N 1 3 246.398 2.705 10 0 BFAEHO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)[C@H]1CCCNC1 ZINC000568988896 326383625 /nfs/dbraw/zinc/38/36/25/326383625.db2.gz ZBBRYUMDAJSCOQ-SRVKXCTJSA-N 1 3 246.345 2.542 10 0 BFAEHO C[C@H](N[C@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000568988896 326383626 /nfs/dbraw/zinc/38/36/26/326383626.db2.gz ZBBRYUMDAJSCOQ-SRVKXCTJSA-N 1 3 246.345 2.542 10 0 BFAEHO Cc1ccc2nccc(NC3CC[NH2+]CC3)c2c1 ZINC000073738613 487975939 /nfs/dbraw/zinc/97/59/39/487975939.db2.gz IGTRDVMFPFQSOW-UHFFFAOYSA-N 1 3 241.338 2.707 10 0 BFAEHO CC(C)CCN1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757135073 582513904 /nfs/dbraw/zinc/51/39/04/582513904.db2.gz YEBXIPMPCHLBBV-UONOGXRCSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757135073 582513905 /nfs/dbraw/zinc/51/39/05/582513905.db2.gz YEBXIPMPCHLBBV-UONOGXRCSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757135073 582513906 /nfs/dbraw/zinc/51/39/06/582513906.db2.gz YEBXIPMPCHLBBV-UONOGXRCSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[N@@H+]1CC[C@H](N2CCCCC2)C[C@H]1C ZINC000242687947 519863715 /nfs/dbraw/zinc/86/37/15/519863715.db2.gz VAUFFIPHKXVWES-KGLIPLIRSA-N 1 3 224.392 2.735 10 0 BFAEHO CCC[N@H+]1CC[C@H](N2CCCCC2)C[C@H]1C ZINC000242687947 519863717 /nfs/dbraw/zinc/86/37/17/519863717.db2.gz VAUFFIPHKXVWES-KGLIPLIRSA-N 1 3 224.392 2.735 10 0 BFAEHO C[C@H](C[C@H](CN)[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000238856900 524640978 /nfs/dbraw/zinc/64/09/78/524640978.db2.gz XPOCUETWGWPYKX-FVQBIDKESA-N 1 3 246.398 2.897 10 0 BFAEHO CC(C)[C@H](N[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517489 529126155 /nfs/dbraw/zinc/12/61/55/529126155.db2.gz GNQXTUZAQKUBIC-BMFZPTHFSA-N 1 3 246.398 2.971 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757131012 582505995 /nfs/dbraw/zinc/50/59/95/582505995.db2.gz OXAPGDDMHKQIDJ-OCCSQVGLSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757131012 582505996 /nfs/dbraw/zinc/50/59/96/582505996.db2.gz OXAPGDDMHKQIDJ-OCCSQVGLSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757134988 582513830 /nfs/dbraw/zinc/51/38/30/582513830.db2.gz XOKBWTOXJLXZPB-VNHYZAJKSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CCCN[C@H]2C ZINC000757134988 582513831 /nfs/dbraw/zinc/51/38/31/582513831.db2.gz XOKBWTOXJLXZPB-VNHYZAJKSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757134975 586427030 /nfs/dbraw/zinc/42/70/30/586427030.db2.gz XOKBWTOXJLXZPB-IPYPFGDCSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757134975 586427031 /nfs/dbraw/zinc/42/70/31/586427031.db2.gz XOKBWTOXJLXZPB-IPYPFGDCSA-N 1 3 236.403 2.782 10 0 BFAEHO CN1CCCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000700814642 712007192 /nfs/dbraw/zinc/00/71/92/712007192.db2.gz ABPJJOQEIQGNFS-INIZCTEOSA-N 1 3 246.398 2.551 10 0 BFAEHO CCC1(N)CC[NH+]([C@@H](C(C)C)C2CC2)CC1 ZINC000714757593 712497659 /nfs/dbraw/zinc/49/76/59/712497659.db2.gz AGMJJQBCZKPMQW-ZDUSSCGKSA-N 1 3 224.392 2.624 10 0 BFAEHO CC[C@@H]1CCC[C@@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753665 712497793 /nfs/dbraw/zinc/49/77/93/712497793.db2.gz MYIOMZBFJGBKPS-OLZOCXBDSA-N 1 3 224.392 2.768 10 0 BFAEHO Cc1cc([C@H](C)N2CC[C@H](C[NH3+])C2)c(C)s1 ZINC000049509042 178243772 /nfs/dbraw/zinc/24/37/72/178243772.db2.gz RBVFQYUMYQWYEU-CMPLNLGQSA-N 1 3 238.400 2.707 10 0 BFAEHO CCC(CC)[N@H+](C)Cc1cc(C)c(CNC)o1 ZINC000052478288 168369096 /nfs/dbraw/zinc/36/90/96/168369096.db2.gz TYSYRRMHGFRMBJ-UHFFFAOYSA-N 1 3 238.375 2.928 10 0 BFAEHO CCC(CC)[N@@H+](C)Cc1cc(C)c(CNC)o1 ZINC000052478288 168369098 /nfs/dbraw/zinc/36/90/98/168369098.db2.gz TYSYRRMHGFRMBJ-UHFFFAOYSA-N 1 3 238.375 2.928 10 0 BFAEHO CCC(CC)[C@@H](CN)[N@H+](CC)Cc1ccncc1 ZINC000042515372 168399620 /nfs/dbraw/zinc/39/96/20/168399620.db2.gz GINJOOGLCDTWQO-OAHLLOKOSA-N 1 3 249.402 2.667 10 0 BFAEHO CCC(CC)[C@@H](CN)[N@@H+](CC)Cc1ccncc1 ZINC000042515372 168399622 /nfs/dbraw/zinc/39/96/22/168399622.db2.gz GINJOOGLCDTWQO-OAHLLOKOSA-N 1 3 249.402 2.667 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000220407722 344285928 /nfs/dbraw/zinc/28/59/28/344285928.db2.gz SZOWQRCSACAHRQ-SNPRPXQTSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000220407722 344285930 /nfs/dbraw/zinc/28/59/30/344285930.db2.gz SZOWQRCSACAHRQ-SNPRPXQTSA-N 1 3 232.371 2.634 10 0 BFAEHO CCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000635020829 345223274 /nfs/dbraw/zinc/22/32/74/345223274.db2.gz MKRYVSONZKWAMX-CHWSQXEVSA-N 1 3 226.408 2.790 10 0 BFAEHO CCC(C)(C)CC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000635020830 345223458 /nfs/dbraw/zinc/22/34/58/345223458.db2.gz MKRYVSONZKWAMX-OLZOCXBDSA-N 1 3 226.408 2.790 10 0 BFAEHO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)CN(C)C ZINC000381327971 345333060 /nfs/dbraw/zinc/33/30/60/345333060.db2.gz RTJRINPTXLRMLF-MCIONIFRSA-N 1 3 226.408 2.743 10 0 BFAEHO Cc1cccc(CN2CC[C@@H](C)[NH2+][C@@H](C)CC2)c1 ZINC000049666832 179082383 /nfs/dbraw/zinc/08/23/83/179082383.db2.gz PGAGQYLGGOMIOM-GASCZTMLSA-N 1 3 246.398 2.957 10 0 BFAEHO C[C@H]([NH2+]CC1(C)CCCC1)[C@H]1CCCNC1 ZINC000580181419 346616791 /nfs/dbraw/zinc/61/67/91/346616791.db2.gz RIIJJNXZRCIWNZ-STQMWFEESA-N 1 3 224.392 2.544 10 0 BFAEHO Cc1ccccc1C[N@@H+]1CCCN[C@H](C(C)C)C1 ZINC000062622391 179274507 /nfs/dbraw/zinc/27/45/07/179274507.db2.gz PUDVELGVVIFUOB-INIZCTEOSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1ccccc1C[N@H+]1CCCN[C@H](C(C)C)C1 ZINC000062622391 179274510 /nfs/dbraw/zinc/27/45/10/179274510.db2.gz PUDVELGVVIFUOB-INIZCTEOSA-N 1 3 246.398 2.815 10 0 BFAEHO Cc1ccccc1[C@@H](C)N1CCC[NH2+]C[C@H](C)C1 ZINC000049667717 179318155 /nfs/dbraw/zinc/31/81/55/179318155.db2.gz QHXCTDGYGCHMKU-DZGCQCFKSA-N 1 3 246.398 2.987 10 0 BFAEHO Cc1ccccc1[C@@H](C)[N@@H+]1CCCNC[C@H](C)C1 ZINC000049667717 179318156 /nfs/dbraw/zinc/31/81/56/179318156.db2.gz QHXCTDGYGCHMKU-DZGCQCFKSA-N 1 3 246.398 2.987 10 0 BFAEHO Cc1ccccc1[C@@H](C)[N@H+]1CCCNC[C@H](C)C1 ZINC000049667717 179318157 /nfs/dbraw/zinc/31/81/57/179318157.db2.gz QHXCTDGYGCHMKU-DZGCQCFKSA-N 1 3 246.398 2.987 10 0 BFAEHO CC(C)(C)[N@@H+]1CCc2ccccc2[C@H]1CCN ZINC000616679762 351245993 /nfs/dbraw/zinc/24/59/93/351245993.db2.gz WWHFACPIYGHROJ-CQSZACIVSA-N 1 3 232.371 2.733 10 0 BFAEHO CC(C)(C)[N@H+]1CCc2ccccc2[C@H]1CCN ZINC000616679762 351245995 /nfs/dbraw/zinc/24/59/95/351245995.db2.gz WWHFACPIYGHROJ-CQSZACIVSA-N 1 3 232.371 2.733 10 0 BFAEHO CC(C)(C)N1CCc2ccccc2[C@H]1CC[NH3+] ZINC000616679762 351245998 /nfs/dbraw/zinc/24/59/98/351245998.db2.gz WWHFACPIYGHROJ-CQSZACIVSA-N 1 3 232.371 2.733 10 0 BFAEHO CCN(CC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000137502786 356436195 /nfs/dbraw/zinc/43/61/95/356436195.db2.gz CCBRQAPNJYDIQY-HNNXBMFYSA-N 1 3 232.371 2.636 10 0 BFAEHO CCC1(C[NH2+][C@H](C)[C@H]2CCCNC2)CCCC1 ZINC000582779545 357390673 /nfs/dbraw/zinc/39/06/73/357390673.db2.gz SPIAHDYBAORNQG-KGLIPLIRSA-N 1 3 238.419 2.935 10 0 BFAEHO CC(C)[NH2+]C[C@H](CN)C1CCCCCC1 ZINC000685946078 538887539 /nfs/dbraw/zinc/88/75/39/538887539.db2.gz DBAJOOBSICMRTF-ZDUSSCGKSA-N 1 3 212.381 2.530 10 0 BFAEHO Cc1cnccc1N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000192680096 357847019 /nfs/dbraw/zinc/84/70/19/357847019.db2.gz AJWRORDXUWZQCE-JSGCOSHPSA-N 1 3 233.359 2.531 10 0 BFAEHO Cc1cnccc1N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000192680096 357847021 /nfs/dbraw/zinc/84/70/21/357847021.db2.gz AJWRORDXUWZQCE-JSGCOSHPSA-N 1 3 233.359 2.531 10 0 BFAEHO CC[C@@H]1CC[C@H](CCN2CCCCC2)[NH2+]C1 ZINC000584651784 358306764 /nfs/dbraw/zinc/30/67/64/358306764.db2.gz HKFNEEYBHYYRTG-ZIAGYGMSSA-N 1 3 224.392 2.641 10 0 BFAEHO CC[C@H]1CC[C@@H](CCN2CCCCC2)[NH2+]C1 ZINC000584651781 358306971 /nfs/dbraw/zinc/30/69/71/358306971.db2.gz HKFNEEYBHYYRTG-KBPBESRZSA-N 1 3 224.392 2.641 10 0 BFAEHO CC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000306603859 360532290 /nfs/dbraw/zinc/53/22/90/360532290.db2.gz XXDDAPSXPJJOQQ-DOMZBBRYSA-N 1 3 245.370 2.626 10 0 BFAEHO NC1(C[N@@H+]2CCCc3ccccc3C2)CCCC1 ZINC000062946180 181330308 /nfs/dbraw/zinc/33/03/08/181330308.db2.gz VDAWJOBGSFXJIL-UHFFFAOYSA-N 1 3 244.382 2.706 10 0 BFAEHO NC1(C[N@H+]2CCCc3ccccc3C2)CCCC1 ZINC000062946180 181330311 /nfs/dbraw/zinc/33/03/11/181330311.db2.gz VDAWJOBGSFXJIL-UHFFFAOYSA-N 1 3 244.382 2.706 10 0 BFAEHO C[C@H]([NH2+]C[C@H]1CCCC12CC2)[C@@H]1CCCNC1 ZINC000629555334 361445983 /nfs/dbraw/zinc/44/59/83/361445983.db2.gz UZHWAXDTTAWGCE-BFHYXJOUSA-N 1 3 236.403 2.544 10 0 BFAEHO CCCC[N@@H+]1CCCCCCNCCC1 ZINC000725262385 541335503 /nfs/dbraw/zinc/33/55/03/541335503.db2.gz ZYTVPPSKHJCZCY-UHFFFAOYSA-N 1 3 212.381 2.642 10 0 BFAEHO CCCC[N@H+]1CCCCCCNCCC1 ZINC000725262385 541335506 /nfs/dbraw/zinc/33/55/06/541335506.db2.gz ZYTVPPSKHJCZCY-UHFFFAOYSA-N 1 3 212.381 2.642 10 0 BFAEHO C[C@@H]([NH2+][C@H](C)[C@H]1CCCNC1)C1CCCC1 ZINC000574069924 364981363 /nfs/dbraw/zinc/98/13/63/364981363.db2.gz DDLDDJNPZZIDDJ-BZPMIXESSA-N 1 3 224.392 2.543 10 0 BFAEHO N#CCCNCCCCCCCCCC[NH3+] ZINC000381028036 367336970 /nfs/dbraw/zinc/33/69/70/367336970.db2.gz YRRFKLMYTBCCSA-UHFFFAOYSA-N 1 3 225.380 2.569 10 0 BFAEHO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000386199709 367927083 /nfs/dbraw/zinc/92/70/83/367927083.db2.gz FMHQZWZMWOQWJM-FRRDWIJNSA-N 1 3 226.408 2.918 10 0 BFAEHO CCCN(CCC)Cc1cc(C[NH3+])ccc1F ZINC000019395887 169148556 /nfs/dbraw/zinc/14/85/56/169148556.db2.gz UJJOBOOZDOOODS-UHFFFAOYSA-N 1 3 238.350 2.906 10 0 BFAEHO CCCN1CCC[C@@H]([C@@H](C)[NH2+][C@@H](C)C2CC2)C1 ZINC000035732772 169195273 /nfs/dbraw/zinc/19/52/73/169195273.db2.gz XLUWSAUPXIBCAU-GZBFAFLISA-N 1 3 238.419 2.885 10 0 BFAEHO CCC[N@@H+]1CC[C@@H](N2CCCCC2)C[C@@H]1C ZINC000073655925 169206387 /nfs/dbraw/zinc/20/63/87/169206387.db2.gz VAUFFIPHKXVWES-UONOGXRCSA-N 1 3 224.392 2.735 10 0 BFAEHO CCC[N@H+]1CC[C@@H](N2CCCCC2)C[C@@H]1C ZINC000073655925 169206388 /nfs/dbraw/zinc/20/63/88/169206388.db2.gz VAUFFIPHKXVWES-UONOGXRCSA-N 1 3 224.392 2.735 10 0 BFAEHO CCC[NH2+][C@H](C)[C@@H]1CCCN(CC(C)C)C1 ZINC000082646685 169286218 /nfs/dbraw/zinc/28/62/18/169286218.db2.gz RDANJHDVDQPYMF-ZIAGYGMSSA-N 1 3 226.408 2.743 10 0 BFAEHO CCC[NH2+][C@@H]1CCC[C@H]1CN(C)CC1CCC1 ZINC000061484488 169282297 /nfs/dbraw/zinc/28/22/97/169282297.db2.gz PXKCOKFCROHHQQ-LSDHHAIUSA-N 1 3 238.419 2.887 10 0 BFAEHO CCC[NH2+][C@H]1CCC[C@H]1CN(C)CC1CCC1 ZINC000061484491 169291411 /nfs/dbraw/zinc/29/14/11/169291411.db2.gz PXKCOKFCROHHQQ-GJZGRUSLSA-N 1 3 238.419 2.887 10 0 BFAEHO CCC[C@@H](C)[N@H+](C)Cc1cc(C)c(CNC)o1 ZINC000052480824 169365059 /nfs/dbraw/zinc/36/50/59/169365059.db2.gz GOVRQGZZOJQDMF-GFCCVEGCSA-N 1 3 238.375 2.928 10 0 BFAEHO CCC[C@@H](C)[N@@H+](C)Cc1cc(C)c(CNC)o1 ZINC000052480824 169365060 /nfs/dbraw/zinc/36/50/60/169365060.db2.gz GOVRQGZZOJQDMF-GFCCVEGCSA-N 1 3 238.375 2.928 10 0 BFAEHO C[C@@H]1C[C@@H](N)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592873 384002287 /nfs/dbraw/zinc/00/22/87/384002287.db2.gz UKWBVZXKIFQVBE-GUIRCDHDSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@@H](N)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592873 384002291 /nfs/dbraw/zinc/00/22/91/384002291.db2.gz UKWBVZXKIFQVBE-GUIRCDHDSA-N 1 3 232.371 2.633 10 0 BFAEHO CC(C)[C@]1(N)CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000575561931 386026441 /nfs/dbraw/zinc/02/64/41/386026441.db2.gz XBTFVRGKTNACEL-DZGCQCFKSA-N 1 3 232.371 2.634 10 0 BFAEHO CC(C)[C@]1(N)CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575561931 386026444 /nfs/dbraw/zinc/02/64/44/386026444.db2.gz XBTFVRGKTNACEL-DZGCQCFKSA-N 1 3 232.371 2.634 10 0 BFAEHO C[C@@H]([NH2+]CCC(C)(C)C1CC1)[C@@H]1CCCNC1 ZINC000643491133 387579809 /nfs/dbraw/zinc/57/98/09/387579809.db2.gz AIAFBPNMOFWKBY-CHWSQXEVSA-N 1 3 238.419 2.790 10 0 BFAEHO Cc1cc(NC[C@H](C)C[NH3+])c2ccccc2n1 ZINC000086634469 388106005 /nfs/dbraw/zinc/10/60/05/388106005.db2.gz SBPNSNKBBFWEAH-SNVBAGLBSA-N 1 3 229.327 2.550 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CCCC1(C)C)[C@H]1CCCNC1 ZINC000516642931 388512888 /nfs/dbraw/zinc/51/28/88/388512888.db2.gz FFBNNZOOHFHRBZ-RWMBFGLXSA-N 1 3 224.392 2.543 10 0 BFAEHO CC(C)C(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000564826351 388891090 /nfs/dbraw/zinc/89/10/90/388891090.db2.gz OKSCECXOFCQAAX-OLZOCXBDSA-N 1 3 226.408 2.646 10 0 BFAEHO CC(C)(C)[NH2+]C[C@@H]1CCCCN1c1ccncc1 ZINC000053700304 132363177 /nfs/dbraw/zinc/36/31/77/132363177.db2.gz JXRPQFVMHFVBSJ-AWEZNQCLSA-N 1 3 247.386 2.829 10 0 BFAEHO Cc1cnccc1N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248657381 135018852 /nfs/dbraw/zinc/01/88/52/135018852.db2.gz AJWRORDXUWZQCE-OCCSQVGLSA-N 1 3 233.359 2.531 10 0 BFAEHO Cc1cnccc1N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248657381 135018853 /nfs/dbraw/zinc/01/88/53/135018853.db2.gz AJWRORDXUWZQCE-OCCSQVGLSA-N 1 3 233.359 2.531 10 0 BFAEHO C[C@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693664 135074827 /nfs/dbraw/zinc/07/48/27/135074827.db2.gz HIGOYBITTZSPDV-CBBWQLFWSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693664 135074829 /nfs/dbraw/zinc/07/48/29/135074829.db2.gz HIGOYBITTZSPDV-CBBWQLFWSA-N 1 3 238.419 2.872 10 0 BFAEHO Cc1ccc(CN2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000258678891 135133540 /nfs/dbraw/zinc/13/35/40/135133540.db2.gz FYBGQZDDQIUBSQ-HNNXBMFYSA-N 1 3 246.398 2.863 10 0 BFAEHO CCc1ccccc1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261591643 135231818 /nfs/dbraw/zinc/23/18/18/135231818.db2.gz XXIDEYNPIHUASX-OAHLLOKOSA-N 1 3 246.398 2.808 10 0 BFAEHO CC(C)C[NH2+][C@H]1CCN(CC(C)C)C[C@@H]1C ZINC000073654334 167015118 /nfs/dbraw/zinc/01/51/18/167015118.db2.gz RPYGRNVBGBBXJN-KBPBESRZSA-N 1 3 226.408 2.598 10 0 BFAEHO CC(C)[NH2+]CCC[C@H](C)N(C)Cc1ccco1 ZINC000052456805 167103071 /nfs/dbraw/zinc/10/30/71/167103071.db2.gz ZJVOGVYXYTWIEN-ZDUSSCGKSA-N 1 3 238.375 2.878 10 0 BFAEHO C[C@H]([NH3+])CCNCc1csc2ccccc12 ZINC000258844306 322878663 /nfs/dbraw/zinc/87/86/63/322878663.db2.gz WOIPDYLVHKZDKF-JTQLQIEISA-N 1 3 234.368 2.728 10 0 BFAEHO CC(C)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000053012603 167112592 /nfs/dbraw/zinc/11/25/92/167112592.db2.gz TZNNXASWEMWYDQ-ZDUSSCGKSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000053012603 167112595 /nfs/dbraw/zinc/11/25/95/167112595.db2.gz TZNNXASWEMWYDQ-ZDUSSCGKSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)[NH2+]C[C@@H]1CCN(C2CCCCC2)C1 ZINC000053012603 167112598 /nfs/dbraw/zinc/11/25/98/167112598.db2.gz TZNNXASWEMWYDQ-ZDUSSCGKSA-N 1 3 224.392 2.639 10 0 BFAEHO CCN(CC)[C@H](CC[NH3+])c1ccc(F)cc1 ZINC000019673502 169801290 /nfs/dbraw/zinc/80/12/90/169801290.db2.gz JNUVUHFZZIUASL-CYBMUJFWSA-N 1 3 224.323 2.557 10 0 BFAEHO C[C@@H](C[N@H+](C)[C@@H]1CCCNCC1)C(C)(C)C ZINC000304362912 411361518 /nfs/dbraw/zinc/36/15/18/411361518.db2.gz YWASRZWMGFHSGW-QWHCGFSZSA-N 1 3 226.408 2.743 10 0 BFAEHO C[C@@H](C[N@@H+](C)[C@@H]1CCCNCC1)C(C)(C)C ZINC000304362912 411361521 /nfs/dbraw/zinc/36/15/21/411361521.db2.gz YWASRZWMGFHSGW-QWHCGFSZSA-N 1 3 226.408 2.743 10 0 BFAEHO CC1CCC(C[NH2+]CCCN2CCCC2)CC1 ZINC000063145134 168154827 /nfs/dbraw/zinc/15/48/27/168154827.db2.gz QVEYWUKPDLEVNG-UHFFFAOYSA-N 1 3 238.419 2.888 10 0 BFAEHO CC1CCC([N@H+](C)C[C@@H]2CCC[C@@H]2N)CC1 ZINC000053878822 168160412 /nfs/dbraw/zinc/16/04/12/168160412.db2.gz BMIPOLVXFZPTTJ-YIOUJQMASA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC([N@@H+](C)C[C@@H]2CCC[C@@H]2N)CC1 ZINC000053878822 168160414 /nfs/dbraw/zinc/16/04/14/168160414.db2.gz BMIPOLVXFZPTTJ-YIOUJQMASA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCN(Cc2cc(C[NH3+])ccc2F)CC1 ZINC000019390656 168184241 /nfs/dbraw/zinc/18/42/41/168184241.db2.gz URADEHZDACYRPX-UHFFFAOYSA-N 1 3 236.334 2.516 10 0 BFAEHO CCC(C)(C)[NH+]1CC[C@H](C)N[C@@H](C)CC1 ZINC000049664993 168287447 /nfs/dbraw/zinc/28/74/47/168287447.db2.gz JSKUMFPFCSZXFU-RYUDHWBXSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000037259769 170108438 /nfs/dbraw/zinc/10/84/38/170108438.db2.gz QBHXZRVDGOSSBR-UHFFFAOYSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNC1CC[NH+](CC2CCCCC2)CC1 ZINC000037259769 170108439 /nfs/dbraw/zinc/10/84/39/170108439.db2.gz QBHXZRVDGOSSBR-UHFFFAOYSA-N 1 3 224.392 2.641 10 0 BFAEHO CCNC[C@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035311 170122611 /nfs/dbraw/zinc/12/26/11/170122611.db2.gz IADXMXBYJQNSHP-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC[C@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035311 170122613 /nfs/dbraw/zinc/12/26/13/170122613.db2.gz IADXMXBYJQNSHP-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]Cc1cc(CN(C)[C@@H](C)CC)oc1C ZINC000052444053 170125872 /nfs/dbraw/zinc/12/58/72/170125872.db2.gz YXFHLBQQABYBNF-NSHDSACASA-N 1 3 238.375 2.928 10 0 BFAEHO CC[NH2+]Cc1cc(CN(C)CC(C)C)oc1C ZINC000052452574 170125894 /nfs/dbraw/zinc/12/58/94/170125894.db2.gz VLQQKKWRAQTNDF-UHFFFAOYSA-N 1 3 238.375 2.785 10 0 BFAEHO CC[NH2+][C@@H]1CCC[C@@H]1CN1CCC(C)(C)CC1 ZINC000061822430 170150657 /nfs/dbraw/zinc/15/06/57/170150657.db2.gz ORVNDACZASEICM-ZIAGYGMSSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@@H]1CC[N@@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709159 170151259 /nfs/dbraw/zinc/15/12/59/170151259.db2.gz KSRQTBOKLHOSTC-NWDGAFQWSA-N 1 3 212.381 2.637 10 0 BFAEHO CCN[C@@H]1CC[N@H+](C(C)(C)CC)[C@@H](C)C1 ZINC000049709159 170151260 /nfs/dbraw/zinc/15/12/60/170151260.db2.gz KSRQTBOKLHOSTC-NWDGAFQWSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[NH2+][C@@H]1CCN(C(C)(C)CC)[C@@H](C)C1 ZINC000049709159 170151263 /nfs/dbraw/zinc/15/12/63/170151263.db2.gz KSRQTBOKLHOSTC-NWDGAFQWSA-N 1 3 212.381 2.637 10 0 BFAEHO CC[NH2+][C@@H]1CCN(C2CCC(C)CC2)C[C@@H]1C ZINC000049709737 170151380 /nfs/dbraw/zinc/15/13/80/170151380.db2.gz CWWWIQYQLUGTSW-OOJKYFRXSA-N 1 3 238.419 2.885 10 0 BFAEHO CCN[C@@H]1CC[N@@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709737 170151382 /nfs/dbraw/zinc/15/13/82/170151382.db2.gz CWWWIQYQLUGTSW-OOJKYFRXSA-N 1 3 238.419 2.885 10 0 BFAEHO CCN[C@@H]1CC[N@H+](C2CCC(C)CC2)C[C@@H]1C ZINC000049709737 170151383 /nfs/dbraw/zinc/15/13/83/170151383.db2.gz CWWWIQYQLUGTSW-OOJKYFRXSA-N 1 3 238.419 2.885 10 0 BFAEHO CCN[C@@H]1CC[N@@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709194 170151866 /nfs/dbraw/zinc/15/18/66/170151866.db2.gz YZFSQMAXHQTNAB-CHWSQXEVSA-N 1 3 224.392 2.782 10 0 BFAEHO CCN[C@@H]1CC[N@H+](C2CCCCC2)[C@H](C)C1 ZINC000049709194 170151868 /nfs/dbraw/zinc/15/18/68/170151868.db2.gz YZFSQMAXHQTNAB-CHWSQXEVSA-N 1 3 224.392 2.782 10 0 BFAEHO CC[NH2+][C@@H]1CCN(C2CCCCC2)[C@H](C)C1 ZINC000049709194 170151870 /nfs/dbraw/zinc/15/18/70/170151870.db2.gz YZFSQMAXHQTNAB-CHWSQXEVSA-N 1 3 224.392 2.782 10 0 BFAEHO CC[NH2+][C@H]1CCCCC[C@H]1CN(C)CC1CC1 ZINC000053870085 170165929 /nfs/dbraw/zinc/16/59/29/170165929.db2.gz AVFICXIWBNALKF-GJZGRUSLSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+][C@H]1CC[C@H](C(C)(C)C)C[C@@H]1CN(C)C ZINC000053864621 170169128 /nfs/dbraw/zinc/16/91/28/170169128.db2.gz PSYZYOURVHJHFB-RDBSUJKOSA-N 1 3 240.435 2.989 10 0 BFAEHO CC[C@@H]1CCCC[C@H]1[NH+]1CCC(NC)CC1 ZINC000042580597 170970198 /nfs/dbraw/zinc/97/01/98/170970198.db2.gz PQFLEUCKLNBHNK-TZMCWYRMSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[C@@H]1CC[N@H+](CC(C)(C)C)C[C@H](C)CN1 ZINC000049667083 171009524 /nfs/dbraw/zinc/00/95/24/171009524.db2.gz IQUOWNDWWSYSQR-CHWSQXEVSA-N 1 3 226.408 2.743 10 0 BFAEHO CC[C@@H]1CC[N@@H+](CC(C)(C)C)C[C@H](C)CN1 ZINC000049667083 171009527 /nfs/dbraw/zinc/00/95/27/171009527.db2.gz IQUOWNDWWSYSQR-CHWSQXEVSA-N 1 3 226.408 2.743 10 0 BFAEHO CC[C@@H]1CCN(CC(C)(C)C)C[C@H](C)C[NH2+]1 ZINC000049667083 171009531 /nfs/dbraw/zinc/00/95/31/171009531.db2.gz IQUOWNDWWSYSQR-CHWSQXEVSA-N 1 3 226.408 2.743 10 0 BFAEHO CCC(C)(C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000665236368 412177272 /nfs/dbraw/zinc/17/72/72/412177272.db2.gz LKLBYPVRIXMUOL-AGIUHOORSA-N 1 3 226.408 2.789 10 0 BFAEHO C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCNC1 ZINC000665267215 412211168 /nfs/dbraw/zinc/21/11/68/412211168.db2.gz RTVMFIOEDLKLOZ-GXTWGEPZSA-N 1 3 224.392 2.544 10 0 BFAEHO CNC(C)(C)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000061319617 173319788 /nfs/dbraw/zinc/31/97/88/173319788.db2.gz SEIZPBYAWQZKKZ-OLZOCXBDSA-N 1 3 224.392 2.639 10 0 BFAEHO CNC(C)(C)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000061319617 173319789 /nfs/dbraw/zinc/31/97/89/173319789.db2.gz SEIZPBYAWQZKKZ-OLZOCXBDSA-N 1 3 224.392 2.639 10 0 BFAEHO C[NH2+]C(C)(C)CN1CCC[C@H]2CCCC[C@@H]21 ZINC000061319617 173319790 /nfs/dbraw/zinc/31/97/90/173319790.db2.gz SEIZPBYAWQZKKZ-OLZOCXBDSA-N 1 3 224.392 2.639 10 0 BFAEHO CNCC1(C[N@H+](CC2CC2)C(C)C)CCCC1 ZINC000051259442 173337874 /nfs/dbraw/zinc/33/78/74/173337874.db2.gz JGQIJNVSWMYIOB-UHFFFAOYSA-N 1 3 238.419 2.887 10 0 BFAEHO CNCC1(C[N@@H+](CC2CC2)C(C)C)CCCC1 ZINC000051259442 173337876 /nfs/dbraw/zinc/33/78/76/173337876.db2.gz JGQIJNVSWMYIOB-UHFFFAOYSA-N 1 3 238.419 2.887 10 0 BFAEHO C[NH2+]CCCCN(C)[C@H](C)c1ccccc1F ZINC000062019095 173345004 /nfs/dbraw/zinc/34/50/04/173345004.db2.gz VJOHSPAYGURODN-GFCCVEGCSA-N 1 3 238.350 2.818 10 0 BFAEHO CNC[C@](C)(C[N@H+](C)CC1CC1)c1ccccc1 ZINC000051249755 173383169 /nfs/dbraw/zinc/38/31/69/173383169.db2.gz FOUXFQZYGHKFIP-MRXNPFEDSA-N 1 3 246.398 2.506 10 0 BFAEHO CNC[C@](C)(C[N@@H+](C)CC1CC1)c1ccccc1 ZINC000051249755 173383170 /nfs/dbraw/zinc/38/31/70/173383170.db2.gz FOUXFQZYGHKFIP-MRXNPFEDSA-N 1 3 246.398 2.506 10 0 BFAEHO C[C@@H](c1ccccc1)N1CCC[NH2+]C[C@@H](C)C1 ZINC000049664307 176021634 /nfs/dbraw/zinc/02/16/34/176021634.db2.gz QSVDULFTXYBAIP-KGLIPLIRSA-N 1 3 232.371 2.679 10 0 BFAEHO C[C@@H]1CCCN([C@@H](CC(N)=[NH2+])c2ccccc2)C1 ZINC000055022337 176103119 /nfs/dbraw/zinc/10/31/19/176103119.db2.gz WBVLRGQANXTGQY-OCCSQVGLSA-N 1 3 245.370 2.786 10 0 BFAEHO C[C@@H]1CC[C@H]([NH3+])[C@H](CN(C)Cc2ccccc2)C1 ZINC000053862885 176229125 /nfs/dbraw/zinc/22/91/25/176229125.db2.gz RZXGQHBRYWQBNN-KBMXLJTQSA-N 1 3 246.398 2.882 10 0 BFAEHO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053860478 176361506 /nfs/dbraw/zinc/36/15/06/176361506.db2.gz LOSRMQWHKDCOES-KBXIAJHMSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@H]1CNCCC[N@@H+](C2(C)CCCCC2)C1 ZINC000045046702 177281936 /nfs/dbraw/zinc/28/19/36/177281936.db2.gz YRJHIVLILCUTFV-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@H]1CNCCC[N@H+](C2(C)CCCCC2)C1 ZINC000045046702 177281938 /nfs/dbraw/zinc/28/19/38/177281938.db2.gz YRJHIVLILCUTFV-ZDUSSCGKSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1CCC[C@@H]([N@H+]2C[C@H](C)CNC[C@H](C)C2)C1 ZINC000049665914 177286137 /nfs/dbraw/zinc/28/61/37/177286137.db2.gz UTFXWHRQBYJXGN-APIJFGDWSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@@H]1CCC[C@@H]([N@@H+]2C[C@H](C)CNC[C@H](C)C2)C1 ZINC000049665914 177286139 /nfs/dbraw/zinc/28/61/39/177286139.db2.gz UTFXWHRQBYJXGN-APIJFGDWSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@@H]1[C@H]([NH3+])C[C@H](C)N(Cc2ccccc2)[C@@H]1C ZINC000169616714 177326498 /nfs/dbraw/zinc/32/64/98/177326498.db2.gz ZJJABKUGECYXQM-RMRHIDDWSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H]1C[C@@H]([NH+]2CCC(N)CC2)CC(C)(C)C1 ZINC000026515069 177327481 /nfs/dbraw/zinc/32/74/81/177327481.db2.gz HOBDBQWSECHTPC-WCQYABFASA-N 1 3 224.392 2.624 10 0 BFAEHO C[C@H]1C[C@@H]1CN(C)[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000104417815 177342413 /nfs/dbraw/zinc/34/24/13/177342413.db2.gz UEVKXXZCYBCXEP-YUTCNCBUSA-N 1 3 245.370 2.642 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@@H+]1C1CCCCCC1 ZINC000049710528 177364327 /nfs/dbraw/zinc/36/43/27/177364327.db2.gz FJLRFTXDJJRATC-NWDGAFQWSA-N 1 3 210.365 2.521 10 0 BFAEHO C[C@H]1C[C@H](N)CC[N@H+]1C1CCCCCC1 ZINC000049710528 177364330 /nfs/dbraw/zinc/36/43/30/177364330.db2.gz FJLRFTXDJJRATC-NWDGAFQWSA-N 1 3 210.365 2.521 10 0 BFAEHO Cc1ccc([C@H](C)N[C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000400416516 225224637 /nfs/dbraw/zinc/22/46/37/225224637.db2.gz VKYJPBJCFJIKOY-GZBFAFLISA-N 1 3 232.371 2.644 10 0 BFAEHO C[C@H](N[C@@H]1CCCc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000400525885 226345560 /nfs/dbraw/zinc/34/55/60/226345560.db2.gz QAKZFCQBGLXXRQ-JGGQBBKZSA-N 1 3 244.382 2.652 10 0 BFAEHO C[N@H+](CCCC1CCC1)[C@@H]1CCCNCC1 ZINC000662266945 487505279 /nfs/dbraw/zinc/50/52/79/487505279.db2.gz OLUZGHFIDSKKTN-CQSZACIVSA-N 1 3 224.392 2.641 10 0 BFAEHO C[N@@H+](CCCC1CCC1)[C@@H]1CCCNCC1 ZINC000662266945 487505284 /nfs/dbraw/zinc/50/52/84/487505284.db2.gz OLUZGHFIDSKKTN-CQSZACIVSA-N 1 3 224.392 2.641 10 0 BFAEHO Cc1c[nH+]ccc1NCc1ccc2c(c1)CNC2 ZINC000097829795 487703801 /nfs/dbraw/zinc/70/38/01/487703801.db2.gz DFIXLMXMDKOVFW-UHFFFAOYSA-N 1 3 239.322 2.605 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757127757 582503528 /nfs/dbraw/zinc/50/35/28/582503528.db2.gz HVQYEKMDVJKYES-UONOGXRCSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757127757 582503530 /nfs/dbraw/zinc/50/35/30/582503530.db2.gz HVQYEKMDVJKYES-UONOGXRCSA-N 1 3 224.392 2.783 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757132599 582507782 /nfs/dbraw/zinc/50/77/82/582507782.db2.gz ROJXGNDTUUGSQA-HZSPNIEDSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@@]12CNC[C@H](C)C2 ZINC000757132599 582507783 /nfs/dbraw/zinc/50/77/83/582507783.db2.gz ROJXGNDTUUGSQA-HZSPNIEDSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC[C@H](C)N1CCC[C@@]12C[NH2+]C[C@H](C)C2 ZINC000757132599 582507784 /nfs/dbraw/zinc/50/77/84/582507784.db2.gz ROJXGNDTUUGSQA-HZSPNIEDSA-N 1 3 224.392 2.639 10 0 BFAEHO C[C@H](CCN[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500093 533943942 /nfs/dbraw/zinc/94/39/42/533943942.db2.gz BSYUZXFYYZBQET-YCPHGPKFSA-N 1 3 246.398 2.768 10 0 BFAEHO C[C@H](CCN[C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000400500089 533945681 /nfs/dbraw/zinc/94/56/81/533945681.db2.gz BSYUZXFYYZBQET-FMKPAKJESA-N 1 3 246.398 2.768 10 0 BFAEHO CCC(C)(C)CCN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261608935 535350820 /nfs/dbraw/zinc/35/08/20/535350820.db2.gz BPOYKZWLESOYHI-GFCCVEGCSA-N 1 3 226.408 2.872 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757127763 582502969 /nfs/dbraw/zinc/50/29/69/582502969.db2.gz HVQYEKMDVJKYES-ZIAGYGMSSA-N 1 3 224.392 2.783 10 0 BFAEHO CCCCC[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757127763 582502970 /nfs/dbraw/zinc/50/29/70/582502970.db2.gz HVQYEKMDVJKYES-ZIAGYGMSSA-N 1 3 224.392 2.783 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757128301 582503061 /nfs/dbraw/zinc/50/30/61/582503061.db2.gz KLJCPSIQLQSELS-KBPBESRZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@]12CCCN[C@H]2C ZINC000757128301 582503064 /nfs/dbraw/zinc/50/30/64/582503064.db2.gz KLJCPSIQLQSELS-KBPBESRZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CCN1CCC[C@]12CCC[NH2+][C@H]2C ZINC000757128301 582503066 /nfs/dbraw/zinc/50/30/66/582503066.db2.gz KLJCPSIQLQSELS-KBPBESRZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757131135 582506049 /nfs/dbraw/zinc/50/60/49/582506049.db2.gz PILGFWBOIHHMLK-TZMCWYRMSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757131135 582506051 /nfs/dbraw/zinc/50/60/51/582506051.db2.gz PILGFWBOIHHMLK-TZMCWYRMSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757131135 582506052 /nfs/dbraw/zinc/50/60/52/582506052.db2.gz PILGFWBOIHHMLK-TZMCWYRMSA-N 1 3 224.392 2.782 10 0 BFAEHO CC1(c2ccc([C@H]3CCN[C@H](C[NH3+])C3)cc2)CC1 ZINC000757212733 582560546 /nfs/dbraw/zinc/56/05/46/582560546.db2.gz JSKXHJXLJIBRNF-ZFWWWQNUSA-N 1 3 244.382 2.532 10 0 BFAEHO C[C@@H]1C[C@@H](N)C[NH2+][C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757208166 586438011 /nfs/dbraw/zinc/43/80/11/586438011.db2.gz CFTFRUVPICSANY-KCPJHIHWSA-N 1 3 244.382 2.736 10 0 BFAEHO [NH3+]C[C@@H]1CCN[C@@H](c2cscc2C(F)F)C1 ZINC000757235797 586443928 /nfs/dbraw/zinc/44/39/28/586443928.db2.gz MTWKHYKKFNEAAE-GMSGAONNSA-N 1 3 246.326 2.685 10 0 BFAEHO CC(C)N(C)CCC[NH2+]CCc1ccccc1 ZINC000221788535 635341318 /nfs/dbraw/zinc/34/13/18/635341318.db2.gz QVMOZBCROVBUTN-UHFFFAOYSA-N 1 3 234.387 2.549 10 0 BFAEHO CCC1([NH3+])CCN([C@@H]2CCC23CCCC3)CC1 ZINC000714758313 712497769 /nfs/dbraw/zinc/49/77/69/712497769.db2.gz FDFSUNGZDPOZKT-CYBMUJFWSA-N 1 3 236.403 2.913 10 0 BFAEHO CN1CCCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000700814643 712007667 /nfs/dbraw/zinc/00/76/67/712007667.db2.gz ABPJJOQEIQGNFS-MRXNPFEDSA-N 1 3 246.398 2.551 10 0 BFAEHO CCC1([NH3+])CCN([C@H](C)c2ccccc2)CC1 ZINC000714759291 712497748 /nfs/dbraw/zinc/49/77/48/712497748.db2.gz PQYXGKRYHSJWKJ-CYBMUJFWSA-N 1 3 232.371 2.951 10 0 BFAEHO CN(C)[C@H]1CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000715492582 712523643 /nfs/dbraw/zinc/52/36/43/712523643.db2.gz VPPGVEKUIMMIPA-HOTGVXAUSA-N 1 3 246.398 2.692 10 0 BFAEHO Cc1cc([C@@H](C)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)o1 ZINC000040749195 178220783 /nfs/dbraw/zinc/22/07/83/178220783.db2.gz VCSIQZYTSLSHLM-NDNKKMJESA-N 1 3 248.370 2.912 10 0 BFAEHO CCC1(C)CC[NH+]([C@@H]2CCN[C@@H](C)C2)CC1 ZINC000229546797 538939425 /nfs/dbraw/zinc/93/94/25/538939425.db2.gz VSBPRJUTXNMCLK-QWHCGFSZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)C[C@H](CN)[C@H]1CCCC[NH2+]1 ZINC000068591042 168367441 /nfs/dbraw/zinc/36/74/41/168367441.db2.gz ZTIWCHDIIPTXKU-CHWSQXEVSA-N 1 3 212.381 2.530 10 0 BFAEHO CCC(CC)N(C)Cc1cc(C[NH3+])ccc1F ZINC000036788564 168369213 /nfs/dbraw/zinc/36/92/13/168369213.db2.gz JANQJCUHNZCOQF-UHFFFAOYSA-N 1 3 238.350 2.905 10 0 BFAEHO CCC(CC)[NH+]1CC[C@H](C)N[C@@H](C)CC1 ZINC000049664929 168376106 /nfs/dbraw/zinc/37/61/06/168376106.db2.gz QHPRTOQSFKDWQL-RYUDHWBXSA-N 1 3 212.381 2.637 10 0 BFAEHO C[C@H](c1ccccc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310402919 259327348 /nfs/dbraw/zinc/32/73/48/259327348.db2.gz UZIOCLIBMTZODY-UMVBOHGHSA-N 1 3 232.371 2.664 10 0 BFAEHO C[C@H](c1ccccc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000310402919 259327350 /nfs/dbraw/zinc/32/73/50/259327350.db2.gz UZIOCLIBMTZODY-UMVBOHGHSA-N 1 3 232.371 2.664 10 0 BFAEHO CC[C@H]1CCN(Cc2ccccc2)C[C@@H](C)C[NH2+]1 ZINC000219631048 342881144 /nfs/dbraw/zinc/88/11/44/342881144.db2.gz HEJXHUKSKYTQRB-HOCLYGCPSA-N 1 3 246.398 2.897 10 0 BFAEHO CCC(C)(C)CC[NH2+][C@@H]1CCCNCC1 ZINC000635023739 345224673 /nfs/dbraw/zinc/22/46/73/345224673.db2.gz SAQUAYRJAXNXKV-GFCCVEGCSA-N 1 3 212.381 2.544 10 0 BFAEHO Cc1cccc([C@H]([C@H](C)[NH3+])N2CCC[C@@H]2C)c1 ZINC000042966739 179203197 /nfs/dbraw/zinc/20/31/97/179203197.db2.gz VNVCALLKXBGHTB-YDHLFZDLSA-N 1 3 232.371 2.868 10 0 BFAEHO Cc1ccccc1CN1C[C@@H](C)C[NH2+]C[C@H](C)C1 ZINC000049666762 179276798 /nfs/dbraw/zinc/27/67/98/179276798.db2.gz OZFIJOXGQMYZEN-KBPBESRZSA-N 1 3 246.398 2.672 10 0 BFAEHO CN(C)[C@@H]1CCCCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000606304171 351562016 /nfs/dbraw/zinc/56/20/16/351562016.db2.gz QXYNAXVCGREYHQ-HZSPNIEDSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)(C)[C@H](N)CC[NH+]1CCCCCC1 ZINC000054027062 188175395 /nfs/dbraw/zinc/17/53/95/188175395.db2.gz JBXYPXFURZDIPG-GFCCVEGCSA-N 1 3 212.381 2.626 10 0 BFAEHO CC(C)(C)[C@H]([NH3+])CCN1CCCCCC1 ZINC000054027062 188175397 /nfs/dbraw/zinc/17/53/97/188175397.db2.gz JBXYPXFURZDIPG-GFCCVEGCSA-N 1 3 212.381 2.626 10 0 BFAEHO CCC1(C[NH2+][C@@H](C)[C@@H]2CCCNC2)CCCC1 ZINC000582779546 357390806 /nfs/dbraw/zinc/39/08/06/357390806.db2.gz SPIAHDYBAORNQG-UONOGXRCSA-N 1 3 238.419 2.935 10 0 BFAEHO C[C@H](CCc1ccccc1)N[C@H]1CCC[NH2+][C@H]1C ZINC000396627558 358449436 /nfs/dbraw/zinc/44/94/36/358449436.db2.gz ITNPJGFZEDAXCL-YCPHGPKFSA-N 1 3 246.398 2.738 10 0 BFAEHO CCN(Cc1ccccc1)C[C@@H]1CCC[C@@H]1[NH3+] ZINC000053864838 358430431 /nfs/dbraw/zinc/43/04/31/358430431.db2.gz HTTARJQCGFRWMQ-GJZGRUSLSA-N 1 3 232.371 2.636 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CCCCC1(C)C)[C@@H]1CCCNC1 ZINC000578738347 366634277 /nfs/dbraw/zinc/63/42/77/366634277.db2.gz JDXVZWXRLBPHBA-BFHYXJOUSA-N 1 3 238.419 2.933 10 0 BFAEHO [NH3+]CC1(CN2CCc3ccccc3C2)CCCC1 ZINC000049831986 181358505 /nfs/dbraw/zinc/35/85/05/181358505.db2.gz VRNRUFDWBDTJAF-UHFFFAOYSA-N 1 3 244.382 2.564 10 0 BFAEHO NCC1(C[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000049831986 181358508 /nfs/dbraw/zinc/35/85/08/181358508.db2.gz VRNRUFDWBDTJAF-UHFFFAOYSA-N 1 3 244.382 2.564 10 0 BFAEHO NCC1(C[N@H+]2CCc3ccccc3C2)CCCC1 ZINC000049831986 181358510 /nfs/dbraw/zinc/35/85/10/181358510.db2.gz VRNRUFDWBDTJAF-UHFFFAOYSA-N 1 3 244.382 2.564 10 0 BFAEHO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCNC1)C1CCCC1 ZINC000574069927 364979961 /nfs/dbraw/zinc/97/99/61/364979961.db2.gz DDLDDJNPZZIDDJ-YRGRVCCFSA-N 1 3 224.392 2.543 10 0 BFAEHO C[C@H](c1ccsc1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000380556185 367243070 /nfs/dbraw/zinc/24/30/70/367243070.db2.gz KWMYVYNPHVPXHA-NQBHXWOUSA-N 1 3 238.400 2.726 10 0 BFAEHO C[C@H](c1ccsc1)[N@@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000380556185 367243075 /nfs/dbraw/zinc/24/30/75/367243075.db2.gz KWMYVYNPHVPXHA-NQBHXWOUSA-N 1 3 238.400 2.726 10 0 BFAEHO C[C@H](c1ccsc1)[N@H+]1C[C@@H](C)[C@](C)(CN)C1 ZINC000380556185 367243081 /nfs/dbraw/zinc/24/30/81/367243081.db2.gz KWMYVYNPHVPXHA-NQBHXWOUSA-N 1 3 238.400 2.726 10 0 BFAEHO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000386199713 367927975 /nfs/dbraw/zinc/92/79/75/367927975.db2.gz FMHQZWZMWOQWJM-UPJWGTAASA-N 1 3 226.408 2.918 10 0 BFAEHO CC[C@H](c1ccccc1)[N@@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839830 369182832 /nfs/dbraw/zinc/18/28/32/369182832.db2.gz LKKOIISGYQQKBU-NWANDNLSSA-N 1 3 232.371 2.664 10 0 BFAEHO CC[C@H](c1ccccc1)[N@H+]1C[C@H](C)[C@H](CN)C1 ZINC000631839830 369182837 /nfs/dbraw/zinc/18/28/37/369182837.db2.gz LKKOIISGYQQKBU-NWANDNLSSA-N 1 3 232.371 2.664 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)[C@H]1CCCNC1 ZINC000568988895 326384906 /nfs/dbraw/zinc/38/49/06/326384906.db2.gz ZBBRYUMDAJSCOQ-SDDRHHMPSA-N 1 3 246.345 2.542 10 0 BFAEHO C[C@H](N[C@@H]1CCCC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC000568988895 326384907 /nfs/dbraw/zinc/38/49/07/326384907.db2.gz ZBBRYUMDAJSCOQ-SDDRHHMPSA-N 1 3 246.345 2.542 10 0 BFAEHO CCC[NH+](CCC)C[C@@H]1CCCC[C@H]1N ZINC000058081484 169148975 /nfs/dbraw/zinc/14/89/75/169148975.db2.gz LDCOPOIAQOLDIC-QWHCGFSZSA-N 1 3 212.381 2.626 10 0 BFAEHO CCCN(CCC)Cc1ccccc1C(N)=[NH2+] ZINC000019426673 169149287 /nfs/dbraw/zinc/14/92/87/169149287.db2.gz DBNPJSPXDZXCOZ-UHFFFAOYSA-N 1 3 233.359 2.593 10 0 BFAEHO CCCN1CCCC[C@H](C[NH3+])[C@H]1c1ccco1 ZINC000082331105 169191185 /nfs/dbraw/zinc/19/11/85/169191185.db2.gz MKYLGFRVMWQHFQ-OCCSQVGLSA-N 1 3 236.359 2.792 10 0 BFAEHO CCCN[C@H](CC[NH+](C)C)c1ccccc1C ZINC000054016629 169288873 /nfs/dbraw/zinc/28/88/73/169288873.db2.gz JZHYGYWWEVKNOH-OAHLLOKOSA-N 1 3 234.387 2.987 10 0 BFAEHO CC[C@@H]([NH3+])CNc1cc(C)nc2ccccc21 ZINC000104210948 384674737 /nfs/dbraw/zinc/67/47/37/384674737.db2.gz KNABQOSQENQNPW-LLVKDONJSA-N 1 3 229.327 2.692 10 0 BFAEHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000309319426 385532457 /nfs/dbraw/zinc/53/24/57/385532457.db2.gz GUMFHLACNOYZBK-UPJWGTAASA-N 1 3 226.408 2.776 10 0 BFAEHO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)[C@H]1CCCNC1 ZINC000519596629 386497919 /nfs/dbraw/zinc/49/79/19/386497919.db2.gz UBEPZBHOXNXTIL-XUXIUFHCSA-N 1 3 224.392 2.543 10 0 BFAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2CN)CC(C)(C)C1 ZINC000414790946 386545642 /nfs/dbraw/zinc/54/56/42/386545642.db2.gz AUYAQJDTMNOARF-ZOBORPQBSA-N 1 3 238.419 2.918 10 0 BFAEHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CN)CC(C)(C)C1 ZINC000414790945 386545808 /nfs/dbraw/zinc/54/58/08/386545808.db2.gz AUYAQJDTMNOARF-YIYPIFLZSA-N 1 3 238.419 2.918 10 0 BFAEHO C[C@H]([NH2+]CCC(C)(C)C1CC1)[C@H]1CCCNC1 ZINC000643491136 387579606 /nfs/dbraw/zinc/57/96/06/387579606.db2.gz AIAFBPNMOFWKBY-STQMWFEESA-N 1 3 238.419 2.790 10 0 BFAEHO CC[C@H]([NH2+]C[C@@H]1CCN(C(C)C)C1)[C@H]1C[C@@H]1C ZINC000322211005 388032306 /nfs/dbraw/zinc/03/23/06/388032306.db2.gz UJTPFBMQFJGJJM-AJNGGQMLSA-N 1 3 238.419 2.741 10 0 BFAEHO Cc1cccc([C@H](C)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000160209100 388053467 /nfs/dbraw/zinc/05/34/67/388053467.db2.gz YUBODFUCQAKYAY-QEJZJMRPSA-N 1 3 232.371 2.773 10 0 BFAEHO C[C@@H]1CN([C@@H]2CCCc3occc32)C[C@@]1(C)C[NH3+] ZINC000311056136 388492475 /nfs/dbraw/zinc/49/24/75/388492475.db2.gz VXUJFIPHMLGAEV-UXIGCNINSA-N 1 3 248.370 2.574 10 0 BFAEHO C[C@@H]1C[N@@H+]([C@@H]2CCCc3occc32)C[C@@]1(C)CN ZINC000311056136 388492479 /nfs/dbraw/zinc/49/24/79/388492479.db2.gz VXUJFIPHMLGAEV-UXIGCNINSA-N 1 3 248.370 2.574 10 0 BFAEHO C[C@@H]1C[N@H+]([C@@H]2CCCc3occc32)C[C@@]1(C)CN ZINC000311056136 388492480 /nfs/dbraw/zinc/49/24/80/388492480.db2.gz VXUJFIPHMLGAEV-UXIGCNINSA-N 1 3 248.370 2.574 10 0 BFAEHO CC(C)C(C[NH2+][C@H]1CCCNCC1)C(C)C ZINC000229523581 388793492 /nfs/dbraw/zinc/79/34/92/388793492.db2.gz IPBSNXUFBHFSRZ-ZDUSSCGKSA-N 1 3 226.408 2.646 10 0 BFAEHO CC(C)C(C[NH2+][C@@H]1CCCNCC1)C(C)C ZINC000229523571 388794147 /nfs/dbraw/zinc/79/41/47/388794147.db2.gz IPBSNXUFBHFSRZ-CYBMUJFWSA-N 1 3 226.408 2.646 10 0 BFAEHO CC(C)CC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CC1 ZINC000565827698 388970709 /nfs/dbraw/zinc/97/07/09/388970709.db2.gz AWYJYXFBCYJUGD-ZIAGYGMSSA-N 1 3 238.419 2.790 10 0 BFAEHO C(C[NH2+][C@@H]1CCCNCC1)CC1CCCC1 ZINC000225016158 134353161 /nfs/dbraw/zinc/35/31/61/134353161.db2.gz AFKSYDBJNSAOFO-CQSZACIVSA-N 1 3 224.392 2.689 10 0 BFAEHO C[C@H](N)[C@@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC000227489410 134381294 /nfs/dbraw/zinc/38/12/94/134381294.db2.gz JUCRMKSZROCLIU-OOJKYFRXSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@H](N)[C@@H]1CCC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227489410 134381295 /nfs/dbraw/zinc/38/12/95/134381295.db2.gz JUCRMKSZROCLIU-OOJKYFRXSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@H]1CN ZINC000251159229 135065124 /nfs/dbraw/zinc/06/51/24/135065124.db2.gz ZNLYQHCRJXKHBZ-VNQPRFMTSA-N 1 3 246.398 2.725 10 0 BFAEHO CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN2CCCC2)C1 ZINC000251787896 135078058 /nfs/dbraw/zinc/07/80/58/135078058.db2.gz XFZWWWCMOYVRJC-RRFJBIMHSA-N 1 3 238.419 2.887 10 0 BFAEHO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](C)N)s1 ZINC000261566881 135208858 /nfs/dbraw/zinc/20/88/58/135208858.db2.gz DRKXFBJWCKEANS-ONGXEEELSA-N 1 3 224.373 2.541 10 0 BFAEHO Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](C)N)s1 ZINC000261566881 135208860 /nfs/dbraw/zinc/20/88/60/135208860.db2.gz DRKXFBJWCKEANS-ONGXEEELSA-N 1 3 224.373 2.541 10 0 BFAEHO C[C@@H]([NH3+])[C@H](C)N[C@H](C)Cc1cccc(Cl)c1 ZINC000261568745 135210521 /nfs/dbraw/zinc/21/05/21/135210521.db2.gz FVAJGIBVOIOGBB-MXWKQRLJSA-N 1 3 240.778 2.596 10 0 BFAEHO Cc1ccc(CNC(C)(C)CC[NH3+])c(C)c1 ZINC000258728589 322876760 /nfs/dbraw/zinc/87/67/60/322876760.db2.gz DVYVXJRGCGEYFA-UHFFFAOYSA-N 1 3 220.360 2.520 10 0 BFAEHO CC(C)C[NH2+]Cc1occc1CN(C)C(C)C ZINC000052419702 167010121 /nfs/dbraw/zinc/01/01/21/167010121.db2.gz CMASYNVKDOWUFH-UHFFFAOYSA-N 1 3 238.375 2.865 10 0 BFAEHO CC(C)[NH2+]C1CCN([C@@H]2CC[C@@H](C)C2)CC1 ZINC000309718024 167094229 /nfs/dbraw/zinc/09/42/29/167094229.db2.gz ZOSOOVRICXWRLH-TZMCWYRMSA-N 1 3 224.392 2.637 10 0 BFAEHO C[C@@H]1CNC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000401884593 411168239 /nfs/dbraw/zinc/16/82/39/411168239.db2.gz SHCYALFQCHZXNI-JGGQBBKZSA-N 1 3 244.382 2.652 10 0 BFAEHO CC1CCC([N@H+](C)C[C@H]2CCC[C@@H]2N)CC1 ZINC000053878824 168159159 /nfs/dbraw/zinc/15/91/59/168159159.db2.gz BMIPOLVXFZPTTJ-HHTDUIENSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CCC([N@@H+](C)C[C@H]2CCC[C@@H]2N)CC1 ZINC000053878824 168159160 /nfs/dbraw/zinc/15/91/60/168159160.db2.gz BMIPOLVXFZPTTJ-HHTDUIENSA-N 1 3 224.392 2.624 10 0 BFAEHO CC1CC[NH+]([C@H]2CCCCC[C@H]2CN)CC1 ZINC000037156822 168187859 /nfs/dbraw/zinc/18/78/59/168187859.db2.gz NAAHPVUONYRANY-KBPBESRZSA-N 1 3 224.392 2.626 10 0 BFAEHO CCN(Cc1cc(C[NH3+])ccc1F)CC(C)C ZINC000037111013 169901821 /nfs/dbraw/zinc/90/18/21/169901821.db2.gz OFQKYUDWAZFTTN-UHFFFAOYSA-N 1 3 238.350 2.762 10 0 BFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)(C)CC ZINC000054626537 170109413 /nfs/dbraw/zinc/10/94/13/170109413.db2.gz XNBQWZRDGZFQNF-YHWZYXNKSA-N 1 3 224.392 2.780 10 0 BFAEHO CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)(C)CC ZINC000054626537 170109415 /nfs/dbraw/zinc/10/94/15/170109415.db2.gz XNBQWZRDGZFQNF-YHWZYXNKSA-N 1 3 224.392 2.780 10 0 BFAEHO CC[NH2+]Cc1cc(CN2C[C@H]3CC[C@@H]2C3)oc1C ZINC000052543804 170125686 /nfs/dbraw/zinc/12/56/86/170125686.db2.gz XJBLOJDZSQJVKG-GXTWGEPZSA-N 1 3 248.370 2.682 10 0 BFAEHO CCN[C@H]1CC[N@H+](C(C2CC2)C2CC2)[C@H](C)C1 ZINC000049713722 170166775 /nfs/dbraw/zinc/16/67/75/170166775.db2.gz IEJMNSDGLUJYLY-RISCZKNCSA-N 1 3 236.403 2.637 10 0 BFAEHO CCN[C@H]1CC[N@@H+](C(C2CC2)C2CC2)[C@H](C)C1 ZINC000049713722 170166776 /nfs/dbraw/zinc/16/67/76/170166776.db2.gz IEJMNSDGLUJYLY-RISCZKNCSA-N 1 3 236.403 2.637 10 0 BFAEHO CC[C@@H]1CCN(Cc2ccccc2)C[C@H](C)C[NH2+]1 ZINC000049664195 171011741 /nfs/dbraw/zinc/01/17/41/171011741.db2.gz HEJXHUKSKYTQRB-GDBMZVCRSA-N 1 3 246.398 2.897 10 0 BFAEHO C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCNC1 ZINC000665267218 412210347 /nfs/dbraw/zinc/21/03/47/412210347.db2.gz RTVMFIOEDLKLOZ-TZMCWYRMSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@@H](Cc1ccco1)NCCC[NH2+]C(C)(C)C ZINC000042593896 175774780 /nfs/dbraw/zinc/77/47/80/175774780.db2.gz MINNFJPLIIJFQZ-LBPRGKRZSA-N 1 3 238.375 2.578 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000020282587 176229112 /nfs/dbraw/zinc/22/91/12/176229112.db2.gz LTPYDUURZCTDIC-KCXAZCMYSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1CC[C@H](N)[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000020282587 176229113 /nfs/dbraw/zinc/22/91/13/176229113.db2.gz LTPYDUURZCTDIC-KCXAZCMYSA-N 1 3 244.382 2.561 10 0 BFAEHO C[C@@H]1C[NH2+]C[C@H]1CN1CCC(C(C)(C)C)CC1 ZINC000104217896 176330170 /nfs/dbraw/zinc/33/01/70/176330170.db2.gz LZEWGADTNOYLOD-OLZOCXBDSA-N 1 3 238.419 2.600 10 0 BFAEHO C[C@@H]1C[C@@H]1CN(C)CCC[NH2+]C1CCCCC1 ZINC000104409571 176391831 /nfs/dbraw/zinc/39/18/31/176391831.db2.gz LKYCTJZHJXBTQB-ZIAGYGMSSA-N 1 3 238.419 2.887 10 0 BFAEHO C[C@H]1CCCN(Cc2ccc(C[NH3+])cc2F)C1 ZINC000019401461 177101188 /nfs/dbraw/zinc/10/11/88/177101188.db2.gz FIJQTLIVNDBRRC-NSHDSACASA-N 1 3 236.334 2.516 10 0 BFAEHO C[C@H]1CCC[C@@](C[NH3+])(N2Cc3ccccc3C2)C1 ZINC000050910665 177127598 /nfs/dbraw/zinc/12/75/98/177127598.db2.gz GKJFGKSYIVOKJJ-XJKSGUPXSA-N 1 3 244.382 2.910 10 0 BFAEHO C[C@@H]1C[C@@H](C)CC[N@@H+]1CC(C)(C)CNC1CC1 ZINC000051748536 177159101 /nfs/dbraw/zinc/15/91/01/177159101.db2.gz GQYXHHVUFOXRHA-QWHCGFSZSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1C[C@@H](C)CC[N@H+]1CC(C)(C)CNC1CC1 ZINC000051748536 177159102 /nfs/dbraw/zinc/15/91/02/177159102.db2.gz GQYXHHVUFOXRHA-QWHCGFSZSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1C[C@@H](C)CCN1CC(C)(C)C[NH2+]C1CC1 ZINC000051748536 177159103 /nfs/dbraw/zinc/15/91/03/177159103.db2.gz GQYXHHVUFOXRHA-QWHCGFSZSA-N 1 3 238.419 2.885 10 0 BFAEHO C[C@@H]1C[NH2+][C@@H](C)CCN(CCc2ccccc2)C1 ZINC000049664778 177160827 /nfs/dbraw/zinc/16/08/27/177160827.db2.gz LTUVGYHXIXONCF-CABCVRRESA-N 1 3 246.398 2.549 10 0 BFAEHO C[C@H]1CNC[C@H](C)C[NH+](CC2(C)CCCC2)C1 ZINC000104442360 177285761 /nfs/dbraw/zinc/28/57/61/177285761.db2.gz LSZMLHXDAVBEHI-KBPBESRZSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@H]1CNC[C@H](C)C[NH+](CC2CCCCC2)C1 ZINC000049666083 177285946 /nfs/dbraw/zinc/28/59/46/177285946.db2.gz NXKUPWCJDDORLF-KBPBESRZSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@H]1C[C@H]1[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000120408696 177385405 /nfs/dbraw/zinc/38/54/05/177385405.db2.gz NFXFRXRNQRIEBD-SWLSCSKDSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H]1C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000120408696 177385406 /nfs/dbraw/zinc/38/54/06/177385406.db2.gz NFXFRXRNQRIEBD-SWLSCSKDSA-N 1 3 236.403 2.782 10 0 BFAEHO Cc1cccc([C@H](C)N[C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000400362457 225098745 /nfs/dbraw/zinc/09/87/45/225098745.db2.gz OAMWURFYXLXZOW-KCQAQPDRSA-N 1 3 232.371 2.644 10 0 BFAEHO C[C@H]([NH2+][C@H]1CC2CCC1CC2)[C@H]1CCCNC1 ZINC000567639942 323034460 /nfs/dbraw/zinc/03/44/60/323034460.db2.gz JUSLYCOYLNKHQN-IIZVFWCOSA-N 1 3 236.403 2.543 10 0 BFAEHO CC(C)CC(C)(C)C[NH2+][C@H]1CCCNCC1 ZINC000391123845 323099303 /nfs/dbraw/zinc/09/93/03/323099303.db2.gz KJAZYGDIWQHPMM-ZDUSSCGKSA-N 1 3 226.408 2.790 10 0 BFAEHO CCC(CC)(CC)C[NH2+]CC[C@H](C)N ZINC000391322430 488104385 /nfs/dbraw/zinc/10/43/85/488104385.db2.gz GVPXNPDAGUZLRJ-NSHDSACASA-N 1 3 200.370 2.530 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757134911 582513091 /nfs/dbraw/zinc/51/30/91/582513091.db2.gz XKCXQDILYZKMNP-HZSPNIEDSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757134911 582513095 /nfs/dbraw/zinc/51/30/95/582513095.db2.gz XKCXQDILYZKMNP-HZSPNIEDSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757134911 582513096 /nfs/dbraw/zinc/51/30/96/582513096.db2.gz XKCXQDILYZKMNP-HZSPNIEDSA-N 1 3 224.392 2.782 10 0 BFAEHO CCCCN1CC[C@@H]([NH2+]CC(C)C)C[C@H]1C ZINC000242463854 520595593 /nfs/dbraw/zinc/59/55/93/520595593.db2.gz DONJKILCTURYAC-ZIAGYGMSSA-N 1 3 226.408 2.885 10 0 BFAEHO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1N ZINC000247954482 525099823 /nfs/dbraw/zinc/09/98/23/525099823.db2.gz ZOZDGKPSUAGAMX-HCZIRCDUSA-N 1 3 246.398 2.879 10 0 BFAEHO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H](C)[C@@H]1N ZINC000247954482 525099832 /nfs/dbraw/zinc/09/98/32/525099832.db2.gz ZOZDGKPSUAGAMX-HCZIRCDUSA-N 1 3 246.398 2.879 10 0 BFAEHO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000252512907 535824671 /nfs/dbraw/zinc/82/46/71/535824671.db2.gz DLHNMUKHODWIRF-CBBWQLFWSA-N 1 3 236.403 2.782 10 0 BFAEHO CCCCCN1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757123505 582498542 /nfs/dbraw/zinc/49/85/42/582498542.db2.gz ACXDYQKKBMQOMG-KGLIPLIRSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757123505 582498543 /nfs/dbraw/zinc/49/85/43/582498543.db2.gz ACXDYQKKBMQOMG-KGLIPLIRSA-N 1 3 224.392 2.641 10 0 BFAEHO CCCCC[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757123505 582498545 /nfs/dbraw/zinc/49/85/45/582498545.db2.gz ACXDYQKKBMQOMG-KGLIPLIRSA-N 1 3 224.392 2.641 10 0 BFAEHO C[C@@H]1C[NH2+]C[C@]2(CCCN2CCC2CCC2)C1 ZINC000757126923 582501510 /nfs/dbraw/zinc/50/15/10/582501510.db2.gz HRRSUWBCXJKVMU-ZFWWWQNUSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@@H]1CNC[C@]2(CCC[N@@H+]2CCC2CCC2)C1 ZINC000757126923 582501513 /nfs/dbraw/zinc/50/15/13/582501513.db2.gz HRRSUWBCXJKVMU-ZFWWWQNUSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@@H]1CNC[C@]2(CCC[N@H+]2CCC2CCC2)C1 ZINC000757126923 582501514 /nfs/dbraw/zinc/50/15/14/582501514.db2.gz HRRSUWBCXJKVMU-ZFWWWQNUSA-N 1 3 236.403 2.641 10 0 BFAEHO C[C@H]1NCCC[C@@]12CCC[N@@H+]2CCC1CCC1 ZINC000757129412 582504143 /nfs/dbraw/zinc/50/41/43/582504143.db2.gz LGKZCQLUWQUAMC-UKRRQHHQSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@H]1NCCC[C@@]12CCC[N@H+]2CCC1CCC1 ZINC000757129412 582504144 /nfs/dbraw/zinc/50/41/44/582504144.db2.gz LGKZCQLUWQUAMC-UKRRQHHQSA-N 1 3 236.403 2.783 10 0 BFAEHO C[C@H]1[NH2+]CCC[C@@]12CCCN2CCC1CCC1 ZINC000757129412 582504145 /nfs/dbraw/zinc/50/41/45/582504145.db2.gz LGKZCQLUWQUAMC-UKRRQHHQSA-N 1 3 236.403 2.783 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757134927 582513025 /nfs/dbraw/zinc/51/30/25/582513025.db2.gz XKCXQDILYZKMNP-MELADBBJSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@]12CC[C@H](C)NC2 ZINC000757134927 582513026 /nfs/dbraw/zinc/51/30/26/582513026.db2.gz XKCXQDILYZKMNP-MELADBBJSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)N1CCC[C@]12CC[C@H](C)[NH2+]C2 ZINC000757134927 582513027 /nfs/dbraw/zinc/51/30/27/582513027.db2.gz XKCXQDILYZKMNP-MELADBBJSA-N 1 3 224.392 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757134987 582513811 /nfs/dbraw/zinc/51/38/11/582513811.db2.gz XOKBWTOXJLXZPB-UMVBOHGHSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757134987 582513814 /nfs/dbraw/zinc/51/38/14/582513814.db2.gz XOKBWTOXJLXZPB-UMVBOHGHSA-N 1 3 236.403 2.782 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757131119 586426310 /nfs/dbraw/zinc/42/63/10/586426310.db2.gz PILGFWBOIHHMLK-JSGCOSHPSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757131119 586426311 /nfs/dbraw/zinc/42/63/11/586426311.db2.gz PILGFWBOIHHMLK-JSGCOSHPSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC(CC)N1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757131119 586426313 /nfs/dbraw/zinc/42/63/13/586426313.db2.gz PILGFWBOIHHMLK-JSGCOSHPSA-N 1 3 224.392 2.782 10 0 BFAEHO CC1(c2ccc([C@@H]3CC[C@@H](C[NH3+])CN3)cc2)CC1 ZINC000757217690 586441611 /nfs/dbraw/zinc/44/16/11/586441611.db2.gz RYBQVXCYEXUUBU-WFASDCNBSA-N 1 3 244.382 2.738 10 0 BFAEHO CC[C@H]([C@H]1C[C@@H]1C)[NH+]1CCC(N)(CC)CC1 ZINC000714752981 712497408 /nfs/dbraw/zinc/49/74/08/712497408.db2.gz GPCHSFBLSXZFDB-RWMBFGLXSA-N 1 3 224.392 2.624 10 0 BFAEHO CC(C)CCCCCC[NH2+]C1CCNCC1 ZINC000038040770 712801205 /nfs/dbraw/zinc/80/12/05/712801205.db2.gz ZSJAPKAVLKSVTN-UHFFFAOYSA-N 1 3 226.408 2.935 10 0 BFAEHO CCC1(C)CC[NH+]([C@@H]2CCN[C@H](C)C2)CC1 ZINC000229546817 538939293 /nfs/dbraw/zinc/93/92/93/538939293.db2.gz VSBPRJUTXNMCLK-CHWSQXEVSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)C[C@H](CN)[C@@H]1CCCC[NH2+]1 ZINC000068591035 168367450 /nfs/dbraw/zinc/36/74/50/168367450.db2.gz ZTIWCHDIIPTXKU-OLZOCXBDSA-N 1 3 212.381 2.530 10 0 BFAEHO CCC(CC)N(C)Cc1ccc(C[NH3+])cc1F ZINC000036788563 168369588 /nfs/dbraw/zinc/36/95/88/168369588.db2.gz YJKLJXZQCVNSFI-UHFFFAOYSA-N 1 3 238.350 2.905 10 0 BFAEHO Cc1ccc(C)c(CN2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000258723880 136373848 /nfs/dbraw/zinc/37/38/48/136373848.db2.gz IPOGTYAEBLTHSU-HNNXBMFYSA-N 1 3 246.398 2.863 10 0 BFAEHO CCN(Cc1ccccc1)C[C@H]1CCC[C@H]1[NH3+] ZINC000249705317 362276260 /nfs/dbraw/zinc/27/62/60/362276260.db2.gz HTTARJQCGFRWMQ-HUUCEWRRSA-N 1 3 232.371 2.636 10 0 BFAEHO CC1(C)CCC[C@@H]1C[NH2+][C@H]1CCCNCC1 ZINC000335637381 345432101 /nfs/dbraw/zinc/43/21/01/345432101.db2.gz ZYYOPVLILCRTTI-OLZOCXBDSA-N 1 3 224.392 2.544 10 0 BFAEHO CC(C)=CC[NH2+]CCCN1CCC(C)CC1 ZINC000236626298 192089083 /nfs/dbraw/zinc/08/90/83/192089083.db2.gz DITBQPGJEZNRBG-UHFFFAOYSA-N 1 3 224.392 2.664 10 0 BFAEHO Cc1cccc([C@@H]([C@@H](C)[NH3+])N2CCC[C@@H]2C)c1 ZINC000042966733 179188199 /nfs/dbraw/zinc/18/81/99/179188199.db2.gz VNVCALLKXBGHTB-GZBFAFLISA-N 1 3 232.371 2.868 10 0 BFAEHO Cc1ccccc1[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000049713906 179335573 /nfs/dbraw/zinc/33/55/73/179335573.db2.gz NQGULSQWKZVUPQ-IPYPFGDCSA-N 1 3 232.371 2.725 10 0 BFAEHO CC(C)(C)[N@@H+]1CCc2ccccc2[C@@H]1CCN ZINC000616679659 351245888 /nfs/dbraw/zinc/24/58/88/351245888.db2.gz WWHFACPIYGHROJ-AWEZNQCLSA-N 1 3 232.371 2.733 10 0 BFAEHO CC(C)(C)[N@H+]1CCc2ccccc2[C@@H]1CCN ZINC000616679659 351245890 /nfs/dbraw/zinc/24/58/90/351245890.db2.gz WWHFACPIYGHROJ-AWEZNQCLSA-N 1 3 232.371 2.733 10 0 BFAEHO CC(C)(C)N1CCc2ccccc2[C@@H]1CC[NH3+] ZINC000616679659 351245891 /nfs/dbraw/zinc/24/58/91/351245891.db2.gz WWHFACPIYGHROJ-AWEZNQCLSA-N 1 3 232.371 2.733 10 0 BFAEHO CN(C)[C@@H]1CCCCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000606304173 351562005 /nfs/dbraw/zinc/56/20/05/351562005.db2.gz QXYNAXVCGREYHQ-MGPQQGTHSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH+]1CCC(N)CC1 ZINC000036915193 188113519 /nfs/dbraw/zinc/11/35/19/188113519.db2.gz CFIBAIOMJHVWDI-BPLDGKMQSA-N 1 3 238.419 2.870 10 0 BFAEHO CC1CCC(CNC[C@@H]2CCCC[NH2+]2)CC1 ZINC000232813836 491102384 /nfs/dbraw/zinc/10/23/84/491102384.db2.gz CLISIGCBWZKAOG-RUXDESIVSA-N 1 3 224.392 2.544 10 0 BFAEHO C[C@@H](CCC[NH3+])Nc1ccnc2ccccc21 ZINC000094948046 360328493 /nfs/dbraw/zinc/32/84/93/360328493.db2.gz SMIBEUZBZBGALD-NSHDSACASA-N 1 3 229.327 2.774 10 0 BFAEHO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)[C@@H]1CCCNC1 ZINC000573711433 364898055 /nfs/dbraw/zinc/89/80/55/364898055.db2.gz SKSXINQMEGSOKH-MJBXVCDLSA-N 1 3 238.419 2.790 10 0 BFAEHO Cc1cccc(CC[NH2+][C@H](C)[C@@H]2CCCNC2)c1 ZINC000574544100 365087204 /nfs/dbraw/zinc/08/72/04/365087204.db2.gz IJJMSAVRSOCNKD-GDBMZVCRSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1cccc(CCN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000574544100 365087210 /nfs/dbraw/zinc/08/72/10/365087210.db2.gz IJJMSAVRSOCNKD-GDBMZVCRSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1cccc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631839315 372635736 /nfs/dbraw/zinc/63/57/36/372635736.db2.gz DNPUNODYVKHHBJ-IPYPFGDCSA-N 1 3 232.371 2.583 10 0 BFAEHO Cc1cccc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](CN)C2)c1 ZINC000631839315 372635743 /nfs/dbraw/zinc/63/57/43/372635743.db2.gz DNPUNODYVKHHBJ-IPYPFGDCSA-N 1 3 232.371 2.583 10 0 BFAEHO Cc1cccc([C@H](C)[N@@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631839316 372637102 /nfs/dbraw/zinc/63/71/02/372637102.db2.gz DNPUNODYVKHHBJ-KCQAQPDRSA-N 1 3 232.371 2.583 10 0 BFAEHO Cc1cccc([C@H](C)[N@H+]2C[C@H](C)[C@H](CN)C2)c1 ZINC000631839316 372637107 /nfs/dbraw/zinc/63/71/07/372637107.db2.gz DNPUNODYVKHHBJ-KCQAQPDRSA-N 1 3 232.371 2.583 10 0 BFAEHO CCC[NH+](CCC)Cc1cc(CNC)oc1C ZINC000052416874 169149451 /nfs/dbraw/zinc/14/94/51/169149451.db2.gz FBXQORMEDNCKRS-UHFFFAOYSA-N 1 3 238.375 2.929 10 0 BFAEHO CCCN(CCC)[C@H](C[NH3+])c1ccccc1 ZINC000038916555 169152250 /nfs/dbraw/zinc/15/22/50/169152250.db2.gz WCDPWMDVGAGTFD-CQSZACIVSA-N 1 3 220.360 2.808 10 0 BFAEHO CCC[C@@H](C)[N@H+](C)Cc1cc(CNC)c(C)o1 ZINC000052480558 169365001 /nfs/dbraw/zinc/36/50/01/169365001.db2.gz LTMZJZKDQDSDJA-LLVKDONJSA-N 1 3 238.375 2.928 10 0 BFAEHO CCC[C@@H](C)[N@@H+](C)Cc1cc(CNC)c(C)o1 ZINC000052480558 169365003 /nfs/dbraw/zinc/36/50/03/169365003.db2.gz LTMZJZKDQDSDJA-LLVKDONJSA-N 1 3 238.375 2.928 10 0 BFAEHO C[C@H]1C[C@@H]([NH3+])[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000068592746 384001962 /nfs/dbraw/zinc/00/19/62/384001962.db2.gz ZJJABKUGECYXQM-SFDCQRBFSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H](C[C@@H](CN)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000068591121 384001827 /nfs/dbraw/zinc/00/18/27/384001827.db2.gz XPOCUETWGWPYKX-BPUTZDHNSA-N 1 3 246.398 2.897 10 0 BFAEHO C[C@H](CN)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000309319420 384984589 /nfs/dbraw/zinc/98/45/89/384984589.db2.gz GUMFHLACNOYZBK-AGIUHOORSA-N 1 3 226.408 2.776 10 0 BFAEHO C[C@@H]1C[C@@H]([NH3+])[C@@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000169616713 385415933 /nfs/dbraw/zinc/41/59/33/385415933.db2.gz ZJJABKUGECYXQM-QVHKTLOISA-N 1 3 232.371 2.633 10 0 BFAEHO CC1(C)[C@H]([NH3+])C[C@H]1NC[C@H]1CCCCC1(F)F ZINC000405346058 385507756 /nfs/dbraw/zinc/50/77/56/385507756.db2.gz GKTGPRSRDYGXQV-GMTAPVOTSA-N 1 3 246.345 2.527 10 0 BFAEHO FC1(F)CCC[C@@H](C[NH2+][C@H]2CCCNCC2)C1 ZINC000335020869 385981372 /nfs/dbraw/zinc/98/13/72/385981372.db2.gz CIJFTFMJVUZWKA-NEPJUHHUSA-N 1 3 246.345 2.544 10 0 BFAEHO C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[C@@H]1CN ZINC000414804846 386609121 /nfs/dbraw/zinc/60/91/21/386609121.db2.gz PDPCOSHNRAVDNW-BNOWGMLFSA-N 1 3 224.392 2.672 10 0 BFAEHO CCCC1(C[NH2+][C@@H]2CCCNCC2)CCC1 ZINC000391883758 386691257 /nfs/dbraw/zinc/69/12/57/386691257.db2.gz WENUHRUIXIKYME-CYBMUJFWSA-N 1 3 224.392 2.689 10 0 BFAEHO c1ccc(C2CC(N[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000334855549 386907340 /nfs/dbraw/zinc/90/73/40/386907340.db2.gz ILINPVLOAYYJMP-HWOWSKLDSA-N 1 3 244.382 2.664 10 0 BFAEHO c1ccc(C2CC([NH2+][C@@H]3CCCNCC3)C2)cc1 ZINC000334855549 386907344 /nfs/dbraw/zinc/90/73/44/386907344.db2.gz ILINPVLOAYYJMP-HWOWSKLDSA-N 1 3 244.382 2.664 10 0 BFAEHO Cc1ccc(Cl)c([C@@H](N)CCC[NH3+])c1F ZINC000575438594 387131401 /nfs/dbraw/zinc/13/14/01/387131401.db2.gz LNQLYKIOVBSPBL-VIFPVBQESA-N 1 3 230.714 2.526 10 0 BFAEHO N[C@@H](CCCC[NH3+])c1cc(Cl)ccc1F ZINC000575439529 387124013 /nfs/dbraw/zinc/12/40/13/387124013.db2.gz DUDJFBOFJKLYKX-NSHDSACASA-N 1 3 230.714 2.608 10 0 BFAEHO Cc1ccc(F)c([C@H](N)CCCC[NH3+])c1Cl ZINC000575439813 387125329 /nfs/dbraw/zinc/12/53/29/387125329.db2.gz YDBSLNBPHMTUPY-SNVBAGLBSA-N 1 3 244.741 2.916 10 0 BFAEHO c1ccc2c(c1)nccc2NCC1CC[NH2+]CC1 ZINC000044509240 387510539 /nfs/dbraw/zinc/51/05/39/387510539.db2.gz LIBCVSAMLQXEJM-UHFFFAOYSA-N 1 3 241.338 2.646 10 0 BFAEHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CN ZINC000084218126 388075105 /nfs/dbraw/zinc/07/51/05/388075105.db2.gz VDGSGEPMAXDCKA-BFHYXJOUSA-N 1 3 226.408 2.918 10 0 BFAEHO CC1CCC(C[NH2+]CC2=CCN(C)CC2)CC1 ZINC000345192565 388511100 /nfs/dbraw/zinc/51/11/00/388511100.db2.gz YVJHPAKLFSRKCN-UHFFFAOYSA-N 1 3 236.403 2.664 10 0 BFAEHO CN(C)CC[C@H]([NH3+])c1cccc2ccccc21 ZINC000001730806 388587371 /nfs/dbraw/zinc/58/73/71/388587371.db2.gz OKILUWJRJYUHTO-HNNXBMFYSA-N 1 3 228.339 2.791 10 0 BFAEHO C[NH+](C)CC[C@H](N)c1cccc2ccccc21 ZINC000001730806 388587372 /nfs/dbraw/zinc/58/73/72/388587372.db2.gz OKILUWJRJYUHTO-HNNXBMFYSA-N 1 3 228.339 2.791 10 0 BFAEHO CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCCNCC1 ZINC000530219907 388631759 /nfs/dbraw/zinc/63/17/59/388631759.db2.gz SAGVTNLUIJIKEX-LLVKDONJSA-N 1 3 248.361 2.790 10 0 BFAEHO CCC(F)(F)C(C)(C)CN[C@@H]1CCC[NH2+]CC1 ZINC000530219907 388631761 /nfs/dbraw/zinc/63/17/61/388631761.db2.gz SAGVTNLUIJIKEX-LLVKDONJSA-N 1 3 248.361 2.790 10 0 BFAEHO C[C@H](N)[C@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC000227489418 134381270 /nfs/dbraw/zinc/38/12/70/134381270.db2.gz JUCRMKSZROCLIU-SHWKFHJASA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@H](N)[C@H]1CCC[N@@H+](CC2CCC(C)CC2)C1 ZINC000227489418 134381271 /nfs/dbraw/zinc/38/12/71/134381271.db2.gz JUCRMKSZROCLIU-SHWKFHJASA-N 1 3 238.419 2.872 10 0 BFAEHO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000252751359 135107178 /nfs/dbraw/zinc/10/71/78/135107178.db2.gz ADSZFYIKBJKCOW-XQQFMLRXSA-N 1 3 212.381 2.543 10 0 BFAEHO Cc1ccc(CN2CC[C@@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000258678893 135133452 /nfs/dbraw/zinc/13/34/52/135133452.db2.gz FYBGQZDDQIUBSQ-OAHLLOKOSA-N 1 3 246.398 2.863 10 0 BFAEHO CC1CCC(CN2CC[C@@H]([NH3+])C(C)(C)C2)CC1 ZINC000261541253 135180785 /nfs/dbraw/zinc/18/07/85/135180785.db2.gz BALARCRLYAZVPC-JXQTWKCFSA-N 1 3 238.419 2.872 10 0 BFAEHO CC(C)C[NH2+]Cc1ccoc1CN1CCCC1 ZINC000052377372 167010740 /nfs/dbraw/zinc/01/07/40/167010740.db2.gz HZIDQJBNXNMULE-UHFFFAOYSA-N 1 3 236.359 2.621 10 0 BFAEHO CC(C)[NH2+]Cc1cccc(CN(C)C2CC2)c1 ZINC000052445257 167118947 /nfs/dbraw/zinc/11/89/47/167118947.db2.gz AVHQJCLRDMTBCG-UHFFFAOYSA-N 1 3 232.371 2.779 10 0 BFAEHO CC(C)[C@@H](C)[NH2+]Cc1ccccc1CN(C)C ZINC000020128636 167384571 /nfs/dbraw/zinc/38/45/71/167384571.db2.gz JCKFUQJDFQBUBY-CYBMUJFWSA-N 1 3 234.387 2.882 10 0 BFAEHO C[C@@H]1CNC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000401884594 411168188 /nfs/dbraw/zinc/16/81/88/411168188.db2.gz SHCYALFQCHZXNI-NOLJZWGESA-N 1 3 244.382 2.652 10 0 BFAEHO CC[NH2+]C1CCN(C[C@H]2CCCC[C@@H]2C)CC1 ZINC000042864257 170108628 /nfs/dbraw/zinc/10/86/28/170108628.db2.gz YSKAKQWYOXXQLK-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]C1CCN(C[C@H]2CCCC[C@H]2C)CC1 ZINC000042864263 170108780 /nfs/dbraw/zinc/10/87/80/170108780.db2.gz YSKAKQWYOXXQLK-ZIAGYGMSSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]CC1(CN(C)CC2CCC2)CCCC1 ZINC000061484324 170111027 /nfs/dbraw/zinc/11/10/27/170111027.db2.gz VEONRKJJECAZEX-UHFFFAOYSA-N 1 3 238.419 2.888 10 0 BFAEHO CCNCC1(C[N@H+](C)CC2CCC2)CCCC1 ZINC000061484324 170111029 /nfs/dbraw/zinc/11/10/29/170111029.db2.gz VEONRKJJECAZEX-UHFFFAOYSA-N 1 3 238.419 2.888 10 0 BFAEHO CCNCC1(C[N@@H+](C)CC2CCC2)CCCC1 ZINC000061484324 170111031 /nfs/dbraw/zinc/11/10/31/170111031.db2.gz VEONRKJJECAZEX-UHFFFAOYSA-N 1 3 238.419 2.888 10 0 BFAEHO CCNCC(CC)(CC)C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000051253134 170111049 /nfs/dbraw/zinc/11/10/49/170111049.db2.gz AICJXTCTVSKWLN-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNCC(CC)(CC)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000051253134 170111051 /nfs/dbraw/zinc/11/10/51/170111051.db2.gz AICJXTCTVSKWLN-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]CC(CC)(CC)CN1C[C@H]2CC[C@@H]1C2 ZINC000051253134 170111052 /nfs/dbraw/zinc/11/10/52/170111052.db2.gz AICJXTCTVSKWLN-UONOGXRCSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+]CC[C@@H](C)N1CCCc2ccccc2C1 ZINC000062945580 170116557 /nfs/dbraw/zinc/11/65/57/170116557.db2.gz VBKWZLWZNQCHIM-CQSZACIVSA-N 1 3 246.398 2.823 10 0 BFAEHO CCNC[C@@H](CC)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482221 170118948 /nfs/dbraw/zinc/11/89/48/170118948.db2.gz IQDAHEDMGIWYSN-RRFJBIMHSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC[C@@H](CC)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052482221 170118950 /nfs/dbraw/zinc/11/89/50/170118950.db2.gz IQDAHEDMGIWYSN-RRFJBIMHSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC[C@@H](C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546573 170118980 /nfs/dbraw/zinc/11/89/80/170118980.db2.gz QPGLKKAKBPTSPH-HZSPNIEDSA-N 1 3 226.408 2.743 10 0 BFAEHO CCNC[C@@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546573 170118981 /nfs/dbraw/zinc/11/89/81/170118981.db2.gz QPGLKKAKBPTSPH-HZSPNIEDSA-N 1 3 226.408 2.743 10 0 BFAEHO CCNC[C@@H]1CC[N@@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035309 170119989 /nfs/dbraw/zinc/11/99/89/170119989.db2.gz IADXMXBYJQNSHP-KBPBESRZSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC[C@@H]1CC[N@H+]([C@@H](C)C2CCCCC2)C1 ZINC000053035309 170119990 /nfs/dbraw/zinc/11/99/90/170119990.db2.gz IADXMXBYJQNSHP-KBPBESRZSA-N 1 3 238.419 2.887 10 0 BFAEHO CCNC[C@](C)(C[NH+](CC)CC)c1ccccc1 ZINC000051208636 170123590 /nfs/dbraw/zinc/12/35/90/170123590.db2.gz GJFZICNNPGVWLR-MRXNPFEDSA-N 1 3 248.414 2.896 10 0 BFAEHO CC[NH2+][C@@H]1CCN(CC2CCCCC2)C[C@@H]1C ZINC000049710713 170152331 /nfs/dbraw/zinc/15/23/31/170152331.db2.gz OWIUPWHXSBUNDQ-DZGCQCFKSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710713 170152332 /nfs/dbraw/zinc/15/23/32/170152332.db2.gz OWIUPWHXSBUNDQ-DZGCQCFKSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710713 170152333 /nfs/dbraw/zinc/15/23/33/170152333.db2.gz OWIUPWHXSBUNDQ-DZGCQCFKSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+][C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1CN(C)C ZINC000053864619 170154292 /nfs/dbraw/zinc/15/42/92/170154292.db2.gz PSYZYOURVHJHFB-HZSPNIEDSA-N 1 3 240.435 2.989 10 0 BFAEHO CC[NH2+][C@H]1CCC[C@H]1CN1CCC(C)(C)CC1 ZINC000061822433 170167243 /nfs/dbraw/zinc/16/72/43/170167243.db2.gz ORVNDACZASEICM-KBPBESRZSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@H]1CC[N@@H+]([C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000049709493 170168265 /nfs/dbraw/zinc/16/82/65/170168265.db2.gz IVYQQCBKNZFUIC-ZQDZILKHSA-N 1 3 238.419 2.885 10 0 BFAEHO CCN[C@H]1CC[N@H+]([C@@H]2CCCC[C@@H]2C)C[C@@H]1C ZINC000049709493 170168266 /nfs/dbraw/zinc/16/82/66/170168266.db2.gz IVYQQCBKNZFUIC-ZQDZILKHSA-N 1 3 238.419 2.885 10 0 BFAEHO CC[C@@H]([NH2+]CC1=CCN(C)CC1)C(C)(C)C ZINC000336742770 170892677 /nfs/dbraw/zinc/89/26/77/170892677.db2.gz SMTJSIQPJDEQQE-CYBMUJFWSA-N 1 3 224.392 2.663 10 0 BFAEHO CC[C@@H]1CC[N@H+](CC2CCC2)CC[C@H](C)N1 ZINC000049665857 171008685 /nfs/dbraw/zinc/00/86/85/171008685.db2.gz HZKLYJIVTHAHJE-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[C@@H]1CC[N@@H+](CC2CCC2)CC[C@H](C)N1 ZINC000049665857 171008686 /nfs/dbraw/zinc/00/86/86/171008686.db2.gz HZKLYJIVTHAHJE-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[C@@H]1CC[N@@H+](C(C2CC2)C2CC2)CCCN1 ZINC000049668064 171009299 /nfs/dbraw/zinc/00/92/99/171009299.db2.gz 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/nfs/dbraw/zinc/23/67/42/326236742.db2.gz GIMJQMBYOPRKKV-NEPJUHHUSA-N 1 3 238.419 2.646 10 0 BFAEHO c1ccc2c(c1)nccc2NC[C@@H]1CCCC[NH2+]1 ZINC000044493386 487820178 /nfs/dbraw/zinc/82/01/78/487820178.db2.gz AFCSQKCPFUZMPJ-LBPRGKRZSA-N 1 3 241.338 2.789 10 0 BFAEHO CC1CCC(CNC[C@H]2CCCC[NH2+]2)CC1 ZINC000232814818 491102345 /nfs/dbraw/zinc/10/23/45/491102345.db2.gz CLISIGCBWZKAOG-JXQTWKCFSA-N 1 3 224.392 2.544 10 0 BFAEHO CCCCN1CC[C@H]([NH2+]CC(C)C)C[C@H]1C ZINC000242463852 520595435 /nfs/dbraw/zinc/59/54/35/520595435.db2.gz DONJKILCTURYAC-KGLIPLIRSA-N 1 3 226.408 2.885 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757134925 582513006 /nfs/dbraw/zinc/51/30/06/582513006.db2.gz XKCXQDILYZKMNP-IHRRRGAJSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757134925 582513009 /nfs/dbraw/zinc/51/30/09/582513009.db2.gz XKCXQDILYZKMNP-IHRRRGAJSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)N1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757134925 582513010 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582513862 /nfs/dbraw/zinc/51/38/62/582513862.db2.gz XOKBWTOXJLXZPB-NFAWXSAZSA-N 1 3 236.403 2.782 10 0 BFAEHO C[C@H](C1CCC1)[N@H+]1CCC[C@]12CCCN[C@@H]2C ZINC000757134982 582513863 /nfs/dbraw/zinc/51/38/63/582513863.db2.gz XOKBWTOXJLXZPB-NFAWXSAZSA-N 1 3 236.403 2.782 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757135123 582514236 /nfs/dbraw/zinc/51/42/36/582514236.db2.gz ZGVKGVINJVNHKC-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@@]12CNC[C@@H](C)C2 ZINC000757135123 582514238 /nfs/dbraw/zinc/51/42/38/582514238.db2.gz ZGVKGVINJVNHKC-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)N1CCC[C@@]12C[NH2+]C[C@@H](C)C2 ZINC000757135123 582514241 /nfs/dbraw/zinc/51/42/41/582514241.db2.gz ZGVKGVINJVNHKC-GXTWGEPZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1(c2ccc([C@H]3NCCC[C@H]3C[NH3+])cc2)CC1 ZINC000757217806 582561482 /nfs/dbraw/zinc/56/14/82/582561482.db2.gz SNPNOHNYQUHECQ-DZGCQCFKSA-N 1 3 244.382 2.738 10 0 BFAEHO CC1(c2ccc([C@@H]3NCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000757217807 582562006 /nfs/dbraw/zinc/56/20/06/582562006.db2.gz SNPNOHNYQUHECQ-HIFRSBDPSA-N 1 3 244.382 2.738 10 0 BFAEHO CCC(CC)[N@@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757135275 586426936 /nfs/dbraw/zinc/42/69/36/586426936.db2.gz ZGVKGVINJVNHKC-OCCSQVGLSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)[N@H+]1CCC[C@]12CNC[C@H](C)C2 ZINC000757135275 586426938 /nfs/dbraw/zinc/42/69/38/586426938.db2.gz ZGVKGVINJVNHKC-OCCSQVGLSA-N 1 3 224.392 2.639 10 0 BFAEHO CCC(CC)N1CCC[C@]12C[NH2+]C[C@H](C)C2 ZINC000757135275 586426940 /nfs/dbraw/zinc/42/69/40/586426940.db2.gz ZGVKGVINJVNHKC-OCCSQVGLSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1(c2ccc([C@@H]3CC[C@H](C[NH3+])NC3)cc2)CC1 ZINC000757206763 586437461 /nfs/dbraw/zinc/43/74/61/586437461.db2.gz AMZXPDIZXMPEAZ-UKRRQHHQSA-N 1 3 244.382 2.532 10 0 BFAEHO CC1(c2ccc([C@@H]3CC[C@H](C[NH3+])CN3)cc2)CC1 ZINC000757217685 586441734 /nfs/dbraw/zinc/44/17/34/586441734.db2.gz RYBQVXCYEXUUBU-DOMZBBRYSA-N 1 3 244.382 2.738 10 0 BFAEHO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2cccc3cc[nH]c32)N1 ZINC000757219264 586442177 /nfs/dbraw/zinc/44/21/77/586442177.db2.gz WHJBCEFAIRGYGD-HCKVZZMMSA-N 1 3 243.354 2.556 10 0 BFAEHO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000250831039 635502103 /nfs/dbraw/zinc/50/21/03/635502103.db2.gz RDSPOQIQFFAZKA-RWMBFGLXSA-N 1 3 212.381 2.672 10 0 BFAEHO CC[C@@H](C(C)C)[NH+]1CCC(N)(CC)CC1 ZINC000714753206 712497118 /nfs/dbraw/zinc/49/71/18/712497118.db2.gz IEVKOFRCLWBTOQ-LBPRGKRZSA-N 1 3 212.381 2.624 10 0 BFAEHO CC[C@H](C(C)C)[NH+]1CCC(N)(CC)CC1 ZINC000714753205 712497214 /nfs/dbraw/zinc/49/72/14/712497214.db2.gz IEVKOFRCLWBTOQ-GFCCVEGCSA-N 1 3 212.381 2.624 10 0 BFAEHO CC[C@H]1CCC[C@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753666 712497972 /nfs/dbraw/zinc/49/79/72/712497972.db2.gz MYIOMZBFJGBKPS-QWHCGFSZSA-N 1 3 224.392 2.768 10 0 BFAEHO CC[C@H]1CCC[C@@H]1[NH+]1CCC(N)(CC)CC1 ZINC000714753667 712498001 /nfs/dbraw/zinc/49/80/01/712498001.db2.gz MYIOMZBFJGBKPS-STQMWFEESA-N 1 3 224.392 2.768 10 0 BFAEHO CN(C)[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000715492584 712523294 /nfs/dbraw/zinc/52/32/94/712523294.db2.gz VPPGVEKUIMMIPA-HZPDHXFCSA-N 1 3 246.398 2.692 10 0 BFAEHO C[N@@H+]1CC[C@H](N)C12CCC(C(C)(C)C)CC2 ZINC000685953122 538897409 /nfs/dbraw/zinc/89/74/09/538897409.db2.gz GFWBJPCIVZVTBS-LXVYMNJGSA-N 1 3 224.392 2.624 10 0 BFAEHO C[N@H+]1CC[C@H](N)C12CCC(C(C)(C)C)CC2 ZINC000685953122 538897410 /nfs/dbraw/zinc/89/74/10/538897410.db2.gz GFWBJPCIVZVTBS-LXVYMNJGSA-N 1 3 224.392 2.624 10 0 BFAEHO Cc1cc(N[C@H]2CC[N@@H+](C)C2)c2ccccc2n1 ZINC000042548122 178191141 /nfs/dbraw/zinc/19/11/41/178191141.db2.gz PBUMQGRHOVSPRY-LBPRGKRZSA-N 1 3 241.338 2.659 10 0 BFAEHO Cc1cc(N[C@H]2CC[N@H+](C)C2)c2ccccc2n1 ZINC000042548122 178191142 /nfs/dbraw/zinc/19/11/42/178191142.db2.gz PBUMQGRHOVSPRY-LBPRGKRZSA-N 1 3 241.338 2.659 10 0 BFAEHO CCC(CC)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037915986 168376069 /nfs/dbraw/zinc/37/60/69/168376069.db2.gz MJFDYYOKWORDGE-JSGCOSHPSA-N 1 3 224.392 2.639 10 0 BFAEHO CC[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400423007 529651306 /nfs/dbraw/zinc/65/13/06/529651306.db2.gz XRBJMJHXBIMSRY-CFVMTHIKSA-N 1 3 232.371 2.725 10 0 BFAEHO CCCC1(C[NH2+][C@H](C)[C@@H]2CCCNC2)CCC1 ZINC000584047299 343306476 /nfs/dbraw/zinc/30/64/76/343306476.db2.gz GZVZSTUFPSXRHY-ZIAGYGMSSA-N 1 3 238.419 2.935 10 0 BFAEHO CCc1ccc([C@H](C)N[C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400726856 529722135 /nfs/dbraw/zinc/72/21/35/529722135.db2.gz PPHOIMLLAUIIRC-ZENOOKHLSA-N 1 3 246.398 2.898 10 0 BFAEHO CCC(C)(C)CC[NH2+][C@H]1CCCNCC1 ZINC000635023740 345224802 /nfs/dbraw/zinc/22/48/02/345224802.db2.gz SAQUAYRJAXNXKV-LBPRGKRZSA-N 1 3 212.381 2.544 10 0 BFAEHO C[N@H+](Cc1ccccc1)[C@H]1CCCCC[C@H]1N ZINC000250243685 362797487 /nfs/dbraw/zinc/79/74/87/362797487.db2.gz SANRUCVRFWGRNN-CABCVRRESA-N 1 3 232.371 2.778 10 0 BFAEHO C[N@@H+](Cc1ccccc1)[C@H]1CCCCC[C@H]1N ZINC000250243685 362797493 /nfs/dbraw/zinc/79/74/93/362797493.db2.gz SANRUCVRFWGRNN-CABCVRRESA-N 1 3 232.371 2.778 10 0 BFAEHO Cc1cccc2c(N(C)CC[NH+](C)C)ccnc12 ZINC000301642585 179210317 /nfs/dbraw/zinc/21/03/17/179210317.db2.gz BSWMVTZUSMGSHY-UHFFFAOYSA-N 1 3 243.354 2.541 10 0 BFAEHO Cc1ccccc1CN1CCC[NH2+][C@@H](C)CC1 ZINC000049666745 179273321 /nfs/dbraw/zinc/27/33/21/179273321.db2.gz SEQYFZJMHWAFCQ-AWEZNQCLSA-N 1 3 232.371 2.569 10 0 BFAEHO Cc1ccccc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000042427389 179276502 /nfs/dbraw/zinc/27/65/02/179276502.db2.gz QUOVWIVIWQLLMZ-UONOGXRCSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@H+]1C[C@@H](CN)CC[C@@H]1C ZINC000042427389 179276507 /nfs/dbraw/zinc/27/65/07/179276507.db2.gz QUOVWIVIWQLLMZ-UONOGXRCSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1C[N@@H+]1C[C@@H](CN)CC[C@@H]1C ZINC000042427389 179276509 /nfs/dbraw/zinc/27/65/09/179276509.db2.gz QUOVWIVIWQLLMZ-UONOGXRCSA-N 1 3 232.371 2.554 10 0 BFAEHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@H+](C)C1 ZINC000037646083 179337218 /nfs/dbraw/zinc/33/72/18/179337218.db2.gz LPERBAKPRKQMBQ-UONOGXRCSA-N 1 3 232.371 2.597 10 0 BFAEHO Cc1ccccc1[C@H](C)NC[C@H]1CC[N@@H+](C)C1 ZINC000037646083 179337220 /nfs/dbraw/zinc/33/72/20/179337220.db2.gz LPERBAKPRKQMBQ-UONOGXRCSA-N 1 3 232.371 2.597 10 0 BFAEHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@H+](C)C1 ZINC000037646081 179337741 /nfs/dbraw/zinc/33/77/41/179337741.db2.gz LPERBAKPRKQMBQ-KBPBESRZSA-N 1 3 232.371 2.597 10 0 BFAEHO Cc1ccccc1[C@H](C)NC[C@@H]1CC[N@@H+](C)C1 ZINC000037646081 179337742 /nfs/dbraw/zinc/33/77/42/179337742.db2.gz LPERBAKPRKQMBQ-KBPBESRZSA-N 1 3 232.371 2.597 10 0 BFAEHO CC(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000310120750 187392218 /nfs/dbraw/zinc/39/22/18/187392218.db2.gz UPVBNJGGBOTDRE-GFCCVEGCSA-N 1 3 232.371 2.814 10 0 BFAEHO CC[NH2+]C[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000250212197 349167680 /nfs/dbraw/zinc/16/76/80/349167680.db2.gz VMWSQEZYGAZBKQ-ZIAGYGMSSA-N 1 3 232.371 2.679 10 0 BFAEHO CC[NH2+]C[C@@H](CN)Cc1cccc2ccccc21 ZINC000725268827 538101543 /nfs/dbraw/zinc/10/15/43/538101543.db2.gz CEKQCVSMHRHKJP-CYBMUJFWSA-N 1 3 242.366 2.567 10 0 BFAEHO CCNC[C@@H](C[NH3+])Cc1cccc2ccccc21 ZINC000725268827 538101544 /nfs/dbraw/zinc/10/15/44/538101544.db2.gz CEKQCVSMHRHKJP-CYBMUJFWSA-N 1 3 242.366 2.567 10 0 BFAEHO CC(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000310120753 188082149 /nfs/dbraw/zinc/08/21/49/188082149.db2.gz UPVBNJGGBOTDRE-LBPRGKRZSA-N 1 3 232.371 2.814 10 0 BFAEHO CC[C@H](CCN)[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000036128688 188112777 /nfs/dbraw/zinc/11/27/77/188112777.db2.gz QJUWYQWVVMNREV-HUUCEWRRSA-N 1 3 232.371 2.951 10 0 BFAEHO CC[C@H](CCN)[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000036128688 188112779 /nfs/dbraw/zinc/11/27/79/188112779.db2.gz QJUWYQWVVMNREV-HUUCEWRRSA-N 1 3 232.371 2.951 10 0 BFAEHO C1C2CC3CC1CC([NH+]1CCCNCCC1)(C2)C3 ZINC000049663085 188125672 /nfs/dbraw/zinc/12/56/72/188125672.db2.gz QNSHYAPIROBRBV-UHFFFAOYSA-N 1 3 248.414 2.641 10 0 BFAEHO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000583078288 357473814 /nfs/dbraw/zinc/47/38/14/357473814.db2.gz KGAMYDHMBPKMIY-TUVASFSCSA-N 1 3 238.419 2.933 10 0 BFAEHO CC[C@@H]1CC[C@@H](CCN2CCCCC2)[NH2+]C1 ZINC000584651782 358306925 /nfs/dbraw/zinc/30/69/25/358306925.db2.gz HKFNEEYBHYYRTG-KGLIPLIRSA-N 1 3 224.392 2.641 10 0 BFAEHO CC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000306603863 360532481 /nfs/dbraw/zinc/53/24/81/360532481.db2.gz XXDDAPSXPJJOQQ-WFASDCNBSA-N 1 3 245.370 2.626 10 0 BFAEHO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)[C@H]1CCCNC1 ZINC000629555335 361446247 /nfs/dbraw/zinc/44/62/47/361446247.db2.gz UZHWAXDTTAWGCE-IHRRRGAJSA-N 1 3 236.403 2.544 10 0 BFAEHO C[C@H]([NH2+]C[C@@H]1CCCC1(C)C)[C@H]1CCCNC1 ZINC000573711431 364898940 /nfs/dbraw/zinc/89/89/40/364898940.db2.gz SKSXINQMEGSOKH-IHRRRGAJSA-N 1 3 238.419 2.790 10 0 BFAEHO [NH3+]CCCCN[C@@H](c1ccco1)c1ccccc1 ZINC000037715004 181377831 /nfs/dbraw/zinc/37/78/31/181377831.db2.gz SYZCBDICRSSUJG-OAHLLOKOSA-N 1 3 244.338 2.698 10 0 BFAEHO [NH3+]CCCN(c1ccncc1)C1CCCCC1 ZINC000036731765 181380287 /nfs/dbraw/zinc/38/02/87/181380287.db2.gz QVVIJVHOKZGRAR-UHFFFAOYSA-N 1 3 233.359 2.570 10 0 BFAEHO [NH3+]CCCNCc1cc(-c2ccccc2)cs1 ZINC000038030853 181384074 /nfs/dbraw/zinc/38/40/74/181384074.db2.gz KZKGHGFFHBFKLV-UHFFFAOYSA-N 1 3 246.379 2.854 10 0 BFAEHO CCc1ccccc1CN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000581536063 367554098 /nfs/dbraw/zinc/55/40/98/367554098.db2.gz GAOTYIYSNAKBQN-HIFRSBDPSA-N 1 3 246.398 2.727 10 0 BFAEHO CCc1ccccc1CN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000581536062 367554318 /nfs/dbraw/zinc/55/43/18/367554318.db2.gz GAOTYIYSNAKBQN-DZGCQCFKSA-N 1 3 246.398 2.727 10 0 BFAEHO NC[C@]12C[N@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625253 368374468 /nfs/dbraw/zinc/37/44/68/368374468.db2.gz AFHIMDPHXZNRAO-HZPDHXFCSA-N 1 3 244.382 2.638 10 0 BFAEHO NC[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1CCCC2 ZINC000032625253 368374471 /nfs/dbraw/zinc/37/44/71/368374471.db2.gz AFHIMDPHXZNRAO-HZPDHXFCSA-N 1 3 244.382 2.638 10 0 BFAEHO C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCNC1 ZINC000567645924 326237813 /nfs/dbraw/zinc/23/78/13/326237813.db2.gz JCVLDVWWLHWNNY-OLZOCXBDSA-N 1 3 226.408 2.790 10 0 BFAEHO C[C@@H]1CN(Cc2ccc(C3CC3)cc2)C[C@@H]1C[NH3+] ZINC000631836981 372625104 /nfs/dbraw/zinc/62/51/04/372625104.db2.gz KXFDQYXSAQEBNU-WBMJQRKESA-N 1 3 244.382 2.591 10 0 BFAEHO CCCN(C)Cc1cc(C[NH2+]CC(C)C)co1 ZINC000052444539 169080608 /nfs/dbraw/zinc/08/06/08/169080608.db2.gz LCLYSCYPPDMCLR-UHFFFAOYSA-N 1 3 238.375 2.867 10 0 BFAEHO CCCN1CC[C@@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073654102 169207545 /nfs/dbraw/zinc/20/75/45/169207545.db2.gz OIENUARUPLILPL-GDBMZVCRSA-N 1 3 246.398 2.897 10 0 BFAEHO CCC[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000053012505 169262628 /nfs/dbraw/zinc/26/26/28/169262628.db2.gz XZKHUBRRZKDNTC-INIZCTEOSA-N 1 3 246.398 2.551 10 0 BFAEHO CCC[NH2+][C@@H]1CCC[C@@H]1CN(C)CC1CCC1 ZINC000061484482 169281729 /nfs/dbraw/zinc/28/17/29/169281729.db2.gz PXKCOKFCROHHQQ-HUUCEWRRSA-N 1 3 238.419 2.887 10 0 BFAEHO CCC[NH2+][C@@H]1CCC[C@H]1CN1CCC[C@H](C)C1 ZINC000053861887 169282481 /nfs/dbraw/zinc/28/24/81/169282481.db2.gz LFDWXHQLXWXSSP-SOUVJXGZSA-N 1 3 238.419 2.887 10 0 BFAEHO CCC[C@@H](C)N(C)Cc1ccc(C[NH3+])cc1F ZINC000036790014 169365087 /nfs/dbraw/zinc/36/50/87/169365087.db2.gz BLLPOLNUOBADSN-LLVKDONJSA-N 1 3 238.350 2.905 10 0 BFAEHO CCC[C@H](C)C[C@@H](CN)[C@@H]1CCCC[NH2+]1 ZINC000068591085 384002208 /nfs/dbraw/zinc/00/22/08/384002208.db2.gz PLFOILFTHVSCAK-AVGNSLFASA-N 1 3 212.381 2.530 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@H](C)[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068592865 384002426 /nfs/dbraw/zinc/00/24/26/384002426.db2.gz UKWBVZXKIFQVBE-CXTNEJHOSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1C[C@H](N)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592865 384002434 /nfs/dbraw/zinc/00/24/34/384002434.db2.gz UKWBVZXKIFQVBE-CXTNEJHOSA-N 1 3 232.371 2.633 10 0 BFAEHO Cc1ccccc1[C@@H](C)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400361183 384205501 /nfs/dbraw/zinc/20/55/01/384205501.db2.gz NRANVGGGAFHGAX-MCIONIFRSA-N 1 3 232.371 2.644 10 0 BFAEHO FC1(F)CCCC[C@H]1CN[C@@H]1CCC[NH2+]CC1 ZINC000335662741 384469883 /nfs/dbraw/zinc/46/98/83/384469883.db2.gz LWXODADFTCPMCF-NWDGAFQWSA-N 1 3 246.345 2.544 10 0 BFAEHO FC1(F)CCCC[C@H]1C[NH2+][C@@H]1CCCNCC1 ZINC000335662741 384469884 /nfs/dbraw/zinc/46/98/84/384469884.db2.gz LWXODADFTCPMCF-NWDGAFQWSA-N 1 3 246.345 2.544 10 0 BFAEHO CC(C)c1ccc(CNCC[C@@H](C)[NH3+])cc1 ZINC000258829021 384939695 /nfs/dbraw/zinc/93/96/95/384939695.db2.gz UZMDOAUCFUPFNY-GFCCVEGCSA-N 1 3 220.360 2.637 10 0 BFAEHO CC(C)(C)C1CC([NH2+][C@H]2CCCNCC2)C1 ZINC000335003692 387097611 /nfs/dbraw/zinc/09/76/11/387097611.db2.gz CYBZMDNLKMEADE-CPCZMJQVSA-N 1 3 224.392 2.543 10 0 BFAEHO N[C@H](CCCC[NH3+])c1c(F)ccc(F)c1Cl ZINC000575438483 387128871 /nfs/dbraw/zinc/12/88/71/387128871.db2.gz JNWHEJRNWVNHEO-SECBINFHSA-N 1 3 248.704 2.747 10 0 BFAEHO Cc1ccccc1CC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000572464085 387514251 /nfs/dbraw/zinc/51/42/51/387514251.db2.gz FVRLWDMVPAODMA-GDBMZVCRSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1ccccc1CCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572464085 387514255 /nfs/dbraw/zinc/51/42/55/387514255.db2.gz FVRLWDMVPAODMA-GDBMZVCRSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1ccccc1CC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000572464086 387515273 /nfs/dbraw/zinc/51/52/73/387515273.db2.gz FVRLWDMVPAODMA-GOEBONIOSA-N 1 3 246.398 2.515 10 0 BFAEHO Cc1ccccc1CCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000572464086 387515278 /nfs/dbraw/zinc/51/52/78/387515278.db2.gz FVRLWDMVPAODMA-GOEBONIOSA-N 1 3 246.398 2.515 10 0 BFAEHO CN1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000245642963 387970256 /nfs/dbraw/zinc/97/02/56/387970256.db2.gz SPQGVUIXAAMLHJ-KBPBESRZSA-N 1 3 248.370 2.901 10 0 BFAEHO CN1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000245642963 387970259 /nfs/dbraw/zinc/97/02/59/387970259.db2.gz SPQGVUIXAAMLHJ-KBPBESRZSA-N 1 3 248.370 2.901 10 0 BFAEHO C[C@H](NCC(C)(C)c1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400517259 387992606 /nfs/dbraw/zinc/99/26/06/387992606.db2.gz GLZSQALILQXJRR-KBPBESRZSA-N 1 3 246.398 2.552 10 0 BFAEHO C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@@]1(C)CN ZINC000310947184 388490771 /nfs/dbraw/zinc/49/07/71/388490771.db2.gz XYLVGIVJXJOONV-UHOFOFEASA-N 1 3 244.382 2.591 10 0 BFAEHO C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)C[C@@]1(C)CN ZINC000310947184 388490774 /nfs/dbraw/zinc/49/07/74/388490774.db2.gz XYLVGIVJXJOONV-UHOFOFEASA-N 1 3 244.382 2.591 10 0 BFAEHO Cc1ccc(Cl)c([C@@H](N)CCCC[NH3+])c1F ZINC000575438907 388625070 /nfs/dbraw/zinc/62/50/70/388625070.db2.gz OSVVMRLYRIJOOZ-JTQLQIEISA-N 1 3 244.741 2.916 10 0 BFAEHO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CN ZINC000251439865 135069700 /nfs/dbraw/zinc/06/97/00/135069700.db2.gz VDGSGEPMAXDCKA-MELADBBJSA-N 1 3 226.408 2.918 10 0 BFAEHO C[C@@H](N)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693660 135074987 /nfs/dbraw/zinc/07/49/87/135074987.db2.gz HIGOYBITTZSPDV-APIJFGDWSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@@H](N)[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@H](C)C2)C1 ZINC000251693660 135074988 /nfs/dbraw/zinc/07/49/88/135074988.db2.gz HIGOYBITTZSPDV-APIJFGDWSA-N 1 3 238.419 2.872 10 0 BFAEHO C[C@@H](c1ccccc1)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000259354000 135142761 /nfs/dbraw/zinc/14/27/61/135142761.db2.gz UAHOWZBUNOIXKT-GXTWGEPZSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000259354000 135142762 /nfs/dbraw/zinc/14/27/62/135142762.db2.gz UAHOWZBUNOIXKT-GXTWGEPZSA-N 1 3 232.371 2.807 10 0 BFAEHO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000259354000 135142763 /nfs/dbraw/zinc/14/27/63/135142763.db2.gz UAHOWZBUNOIXKT-GXTWGEPZSA-N 1 3 232.371 2.807 10 0 BFAEHO CC1(C)CC[C@H]1[NH2+]Cc1ccc2c(c1)CNC2 ZINC000261558054 135198482 /nfs/dbraw/zinc/19/84/82/135198482.db2.gz SESCNTBFDDUBMD-CQSZACIVSA-N 1 3 230.355 2.568 10 0 BFAEHO CC1(C)CN(CCC2CCCC2)CC[C@@H]1[NH3+] ZINC000261583822 135225346 /nfs/dbraw/zinc/22/53/46/135225346.db2.gz PGLFEYXOJUKWLY-ZDUSSCGKSA-N 1 3 224.392 2.626 10 0 BFAEHO Cc1cccc(C)c1CN1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261590068 135230784 /nfs/dbraw/zinc/23/07/84/135230784.db2.gz WSFVWVBPUDRQMZ-OAHLLOKOSA-N 1 3 246.398 2.863 10 0 BFAEHO Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261590068 135230785 /nfs/dbraw/zinc/23/07/85/135230785.db2.gz WSFVWVBPUDRQMZ-OAHLLOKOSA-N 1 3 246.398 2.863 10 0 BFAEHO Cc1cccc(C)c1C[N@H+]1CC[C@@H](N)C(C)(C)C1 ZINC000261590068 135230787 /nfs/dbraw/zinc/23/07/87/135230787.db2.gz WSFVWVBPUDRQMZ-OAHLLOKOSA-N 1 3 246.398 2.863 10 0 BFAEHO CC(C)CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CN ZINC000084218038 135468366 /nfs/dbraw/zinc/46/83/66/135468366.db2.gz WDPMWJIGVIMLKT-XQQFMLRXSA-N 1 3 212.381 2.528 10 0 BFAEHO CC(C)[NH2+]CCCCN1Cc2ccccc2C1 ZINC000050912667 167102002 /nfs/dbraw/zinc/10/20/02/167102002.db2.gz VQMVPZWCRNTWGY-UHFFFAOYSA-N 1 3 232.371 2.780 10 0 BFAEHO CC(C)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000053649052 167112637 /nfs/dbraw/zinc/11/26/37/167112637.db2.gz ZSXDFRBXMOTWMS-AWEZNQCLSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC000053649052 167112638 /nfs/dbraw/zinc/11/26/38/167112638.db2.gz ZSXDFRBXMOTWMS-AWEZNQCLSA-N 1 3 224.392 2.639 10 0 BFAEHO CC1(CN(Cc2ccco2)C2CC2)CC[NH2+]CC1 ZINC000062841874 168023359 /nfs/dbraw/zinc/02/33/59/168023359.db2.gz XSDHKKXBIFVHPY-UHFFFAOYSA-N 1 3 248.370 2.634 10 0 BFAEHO CC[NH2+]C[C@@H](C)CN1CCC(C)(CC)CC1 ZINC000062958282 170118775 /nfs/dbraw/zinc/11/87/75/170118775.db2.gz RCNXKTUSIRMCRT-CYBMUJFWSA-N 1 3 226.408 2.744 10 0 BFAEHO CC[NH2+]C[C@H](C)CN1CCC(C)(CC)CC1 ZINC000062958281 170121676 /nfs/dbraw/zinc/12/16/76/170121676.db2.gz RCNXKTUSIRMCRT-ZDUSSCGKSA-N 1 3 226.408 2.744 10 0 BFAEHO CCNC[C@H](C)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546574 170122095 /nfs/dbraw/zinc/12/20/95/170122095.db2.gz QPGLKKAKBPTSPH-MELADBBJSA-N 1 3 226.408 2.743 10 0 BFAEHO CCNC[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000052546574 170122097 /nfs/dbraw/zinc/12/20/97/170122097.db2.gz QPGLKKAKBPTSPH-MELADBBJSA-N 1 3 226.408 2.743 10 0 BFAEHO CCN[C@@H]1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000053861960 170150175 /nfs/dbraw/zinc/15/01/75/170150175.db2.gz FGPLVNFIIRPPHQ-ZIAGYGMSSA-N 1 3 224.392 2.641 10 0 BFAEHO CCN[C@@H]1CCC[C@@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860431 170150498 /nfs/dbraw/zinc/15/04/98/170150498.db2.gz XUIBGGRSSRYAHN-LXTVHRRPSA-N 1 3 238.419 2.743 10 0 BFAEHO CCN[C@@H]1CCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860431 170150500 /nfs/dbraw/zinc/15/05/00/170150500.db2.gz XUIBGGRSSRYAHN-LXTVHRRPSA-N 1 3 238.419 2.743 10 0 BFAEHO CCN[C@@H]1CCC[C@H]1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860436 170151756 /nfs/dbraw/zinc/15/17/56/170151756.db2.gz XUIBGGRSSRYAHN-LJISPDSOSA-N 1 3 238.419 2.743 10 0 BFAEHO CCN[C@@H]1CCC[C@H]1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053860436 170151757 /nfs/dbraw/zinc/15/17/57/170151757.db2.gz XUIBGGRSSRYAHN-LJISPDSOSA-N 1 3 238.419 2.743 10 0 BFAEHO CC[NH2+][C@H]1CCN(CC2CCCCC2)C[C@@H]1C ZINC000049710714 170166512 /nfs/dbraw/zinc/16/65/12/170166512.db2.gz OWIUPWHXSBUNDQ-ZFWWWQNUSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@H]1CC[N@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710714 170166514 /nfs/dbraw/zinc/16/65/14/170166514.db2.gz OWIUPWHXSBUNDQ-ZFWWWQNUSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@H]1CC[N@@H+](CC2CCCCC2)C[C@@H]1C ZINC000049710714 170166516 /nfs/dbraw/zinc/16/65/16/170166516.db2.gz OWIUPWHXSBUNDQ-ZFWWWQNUSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@H]1CCC[C@H]1C[N@@H+]1CCC[C@@H](CC)C1 ZINC000053867455 170167151 /nfs/dbraw/zinc/16/71/51/170167151.db2.gz ZSFVWDNLXXHLQY-ILXRZTDVSA-N 1 3 238.419 2.887 10 0 BFAEHO CCN[C@H]1CCC[C@H]1C[N@H+]1CCC[C@@H](CC)C1 ZINC000053867455 170167152 /nfs/dbraw/zinc/16/71/52/170167152.db2.gz ZSFVWDNLXXHLQY-ILXRZTDVSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+][C@H]1CCC[C@@H]1CN1CCC(C)(C)CC1 ZINC000061822431 170167231 /nfs/dbraw/zinc/16/72/31/170167231.db2.gz ORVNDACZASEICM-KGLIPLIRSA-N 1 3 238.419 2.887 10 0 BFAEHO CC[NH2+][C@H]1CC[C@@H](C(C)(C)C)C[C@@H]1CN(C)C ZINC000053864625 170168839 /nfs/dbraw/zinc/16/88/39/170168839.db2.gz PSYZYOURVHJHFB-MCIONIFRSA-N 1 3 240.435 2.989 10 0 BFAEHO CC[C@@H]1CCN(Cc2ccccc2C)CCC[NH2+]1 ZINC000049666740 171011895 /nfs/dbraw/zinc/01/18/95/171011895.db2.gz INCBBVAVJAJVNJ-MRXNPFEDSA-N 1 3 246.398 2.959 10 0 BFAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@H+](C)[C@@H](C)C2CC2)C1 ZINC000036783143 171056516 /nfs/dbraw/zinc/05/65/16/171056516.db2.gz KHBZVZKWYHIEMK-CTHBEMJXSA-N 1 3 238.419 2.870 10 0 BFAEHO CC[C@@H]1CC[C@H](CN)[C@H]([N@@H+](C)[C@@H](C)C2CC2)C1 ZINC000036783143 171056520 /nfs/dbraw/zinc/05/65/20/171056520.db2.gz KHBZVZKWYHIEMK-CTHBEMJXSA-N 1 3 238.419 2.870 10 0 BFAEHO CC[C@@](C)(C[NH2+]CC(C)C)CN(C)CC1CC1 ZINC000051249795 171166994 /nfs/dbraw/zinc/16/69/94/171166994.db2.gz XCWGIXVHZUHXHG-HNNXBMFYSA-N 1 3 240.435 2.990 10 0 BFAEHO C[C@H]1C[C@H](C[NH2+][C@H]2CCCNCC2)C[C@@H](C)C1 ZINC000665239701 412178533 /nfs/dbraw/zinc/17/85/33/412178533.db2.gz XSGGDZGFSXEQNY-YJNKXOJESA-N 1 3 238.419 2.790 10 0 BFAEHO C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCNC1 ZINC000665267217 412210255 /nfs/dbraw/zinc/21/02/55/412210255.db2.gz RTVMFIOEDLKLOZ-OCCSQVGLSA-N 1 3 224.392 2.544 10 0 BFAEHO CN1CCCC[C@H]1CC[NH2+]CCc1ccccc1 ZINC000049633303 173007596 /nfs/dbraw/zinc/00/75/96/173007596.db2.gz FWJZNYXNHXMROY-INIZCTEOSA-N 1 3 246.398 2.693 10 0 BFAEHO C[N@@H+]1CCCC[C@H]1CCNCCc1ccccc1 ZINC000049633303 173007601 /nfs/dbraw/zinc/00/76/01/173007601.db2.gz FWJZNYXNHXMROY-INIZCTEOSA-N 1 3 246.398 2.693 10 0 BFAEHO C[N@H+]1CCCC[C@H]1CCNCCc1ccccc1 ZINC000049633303 173007602 /nfs/dbraw/zinc/00/76/02/173007602.db2.gz FWJZNYXNHXMROY-INIZCTEOSA-N 1 3 246.398 2.693 10 0 BFAEHO CNCC(C)(C)C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000051252326 173335739 /nfs/dbraw/zinc/33/57/39/173335739.db2.gz UTNYYDWOFDCUHR-AWEZNQCLSA-N 1 3 238.419 2.887 10 0 BFAEHO CNCC(C)(C)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000051252326 173335741 /nfs/dbraw/zinc/33/57/41/173335741.db2.gz UTNYYDWOFDCUHR-AWEZNQCLSA-N 1 3 238.419 2.887 10 0 BFAEHO CNCC1(C[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205707 173338060 /nfs/dbraw/zinc/33/80/60/173338060.db2.gz FYYXVEBYUNMCQD-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCC1(C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC000051205707 173338061 /nfs/dbraw/zinc/33/80/61/173338061.db2.gz FYYXVEBYUNMCQD-CYBMUJFWSA-N 1 3 224.392 2.641 10 0 BFAEHO CNCc1ccoc1C[N@H+](C)[C@@H](C)CC(C)C ZINC000052571831 173391541 /nfs/dbraw/zinc/39/15/41/173391541.db2.gz OQNUOCZCKZEQKV-LBPRGKRZSA-N 1 3 238.375 2.865 10 0 BFAEHO CNCc1ccoc1C[N@@H+](C)[C@@H](C)CC(C)C ZINC000052571831 173391542 /nfs/dbraw/zinc/39/15/42/173391542.db2.gz OQNUOCZCKZEQKV-LBPRGKRZSA-N 1 3 238.375 2.865 10 0 BFAEHO C[NH2+]Cc1oc2ccccc2c1CN(C)C1CC1 ZINC000052445309 173399985 /nfs/dbraw/zinc/39/99/85/173399985.db2.gz FCNYSRSTAARLCK-UHFFFAOYSA-N 1 3 244.338 2.746 10 0 BFAEHO C[C@@H]1CNC[C@@H](C)C[NH+](CC2CCCCC2)C1 ZINC000049666084 176329259 /nfs/dbraw/zinc/32/92/59/176329259.db2.gz NXKUPWCJDDORLF-ZIAGYGMSSA-N 1 3 238.419 2.744 10 0 BFAEHO C[C@@H]1C[NH2+]C[C@@H]1CN1CCC(C(C)(C)C)CC1 ZINC000104217891 176329364 /nfs/dbraw/zinc/32/93/64/176329364.db2.gz LZEWGADTNOYLOD-CHWSQXEVSA-N 1 3 238.419 2.600 10 0 BFAEHO C[C@H]1CCCCN1CC[C@H]([NH3+])c1ccccc1 ZINC000037115949 177076735 /nfs/dbraw/zinc/07/67/35/177076735.db2.gz UKXKRYBHWCXACG-ZFWWWQNUSA-N 1 3 232.371 2.951 10 0 BFAEHO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(CN)c1 ZINC000022167439 177116850 /nfs/dbraw/zinc/11/68/50/177116850.db2.gz RORFIAJGFPKTPA-BETUJISGSA-N 1 3 232.371 2.908 10 0 BFAEHO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccc(CN)c1 ZINC000022167439 177116852 /nfs/dbraw/zinc/11/68/52/177116852.db2.gz RORFIAJGFPKTPA-BETUJISGSA-N 1 3 232.371 2.908 10 0 BFAEHO C[C@H]1CCC[C@@H]([N@H+]2C[C@H](C)CNC[C@H](C)C2)C1 ZINC000049665916 177121252 /nfs/dbraw/zinc/12/12/52/177121252.db2.gz UTFXWHRQBYJXGN-BYNSBNAKSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@H]1CCC[C@@H]([N@@H+]2C[C@H](C)CNC[C@H](C)C2)C1 ZINC000049665916 177121253 /nfs/dbraw/zinc/12/12/53/177121253.db2.gz UTFXWHRQBYJXGN-BYNSBNAKSA-N 1 3 238.419 2.743 10 0 BFAEHO C[C@H]1CC[C@@H](CN)C[N@@H+]1CC1CCCCC1 ZINC000042427273 177189734 /nfs/dbraw/zinc/18/97/34/177189734.db2.gz VGYIESKFFVSTQD-JSGCOSHPSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@H]1CC[C@@H](CN)C[N@H+]1CC1CCCCC1 ZINC000042427273 177189735 /nfs/dbraw/zinc/18/97/35/177189735.db2.gz VGYIESKFFVSTQD-JSGCOSHPSA-N 1 3 224.392 2.626 10 0 BFAEHO C[C@@H](c1ccccc1)N1CCC[NH2+]C[C@H](C)C1 ZINC000049664309 177282051 /nfs/dbraw/zinc/28/20/51/177282051.db2.gz QSVDULFTXYBAIP-KBPBESRZSA-N 1 3 232.371 2.679 10 0 BFAEHO C[C@@H]1[C@@H](C)C[C@@H](N)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000068592878 177326886 /nfs/dbraw/zinc/32/68/86/177326886.db2.gz UKWBVZXKIFQVBE-SFDCQRBFSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@@H]1[C@@H](C)C[C@@H](N)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592878 177326888 /nfs/dbraw/zinc/32/68/88/177326888.db2.gz UKWBVZXKIFQVBE-SFDCQRBFSA-N 1 3 232.371 2.633 10 0 BFAEHO C[C@H]1C[C@H](C)C[NH+](C[C@@H]2CCCCC[C@@H]2N)C1 ZINC000053860476 177358300 /nfs/dbraw/zinc/35/83/00/177358300.db2.gz LOSRMQWHKDCOES-AJNGGQMLSA-N 1 3 238.419 2.872 10 0 BFAEHO Cc1ccc([C@H](C)N[C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000400416526 226343190 /nfs/dbraw/zinc/34/31/90/226343190.db2.gz VKYJPBJCFJIKOY-YDHLFZDLSA-N 1 3 232.371 2.644 10 0 BFAEHO CC[C@H]([NH2+]C[C@@H](C)CN(C)C)[C@@H]1CC1(C)C ZINC000397797543 262934641 /nfs/dbraw/zinc/93/46/41/262934641.db2.gz MAJNVRFHTABSIL-AGIUHOORSA-N 1 3 226.408 2.598 10 0 BFAEHO C[C@H]([NH2+]CC1(C2CC2)CCC1)[C@@H]1CCCNC1 ZINC000571038374 323104462 /nfs/dbraw/zinc/10/44/62/323104462.db2.gz QEZBYLSMOGIXMX-QWHCGFSZSA-N 1 3 236.403 2.544 10 0 BFAEHO CC(C)CCN1CCC[C@@]12CC[C@H](C)[NH2+]C2 ZINC000757135070 582513696 /nfs/dbraw/zinc/51/36/96/582513696.db2.gz YEBXIPMPCHLBBV-KBPBESRZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757135070 582513699 /nfs/dbraw/zinc/51/36/99/582513699.db2.gz YEBXIPMPCHLBBV-KBPBESRZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@@]12CC[C@H](C)NC2 ZINC000757135070 582513700 /nfs/dbraw/zinc/51/37/00/582513700.db2.gz YEBXIPMPCHLBBV-KBPBESRZSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CCN1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757135074 582513952 /nfs/dbraw/zinc/51/39/52/582513952.db2.gz YEBXIPMPCHLBBV-ZIAGYGMSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757135074 582513954 /nfs/dbraw/zinc/51/39/54/582513954.db2.gz YEBXIPMPCHLBBV-ZIAGYGMSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)CC[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757135074 582513956 /nfs/dbraw/zinc/51/39/56/582513956.db2.gz YEBXIPMPCHLBBV-ZIAGYGMSSA-N 1 3 224.392 2.639 10 0 BFAEHO CC(C)[C@H](N[C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000400517500 529125418 /nfs/dbraw/zinc/12/54/18/529125418.db2.gz GNQXTUZAQKUBIC-IMJJTQAJSA-N 1 3 246.398 2.971 10 0 BFAEHO CC1(c2ccc([C@@H]3CCN[C@H](C[NH3+])C3)cc2)CC1 ZINC000757212731 582561135 /nfs/dbraw/zinc/56/11/35/582561135.db2.gz JSKXHJXLJIBRNF-HIFRSBDPSA-N 1 3 244.382 2.532 10 0 BFAEHO CC(C)[C@H](C)[N@@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757129168 586426177 /nfs/dbraw/zinc/42/61/77/586426177.db2.gz KVPVSJYEQRWNOB-HZSPNIEDSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@H](C)[N@H+]1CCC[C@]12CC[C@@H](C)NC2 ZINC000757129168 586426180 /nfs/dbraw/zinc/42/61/80/586426180.db2.gz KVPVSJYEQRWNOB-HZSPNIEDSA-N 1 3 224.392 2.637 10 0 BFAEHO CC(C)[C@H](C)N1CCC[C@]12CC[C@@H](C)[NH2+]C2 ZINC000757129168 586426182 /nfs/dbraw/zinc/42/61/82/586426182.db2.gz KVPVSJYEQRWNOB-HZSPNIEDSA-N 1 3 224.392 2.637 10 0 BFAEHO CCC[C@H](C)[N@@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757129048 586426401 /nfs/dbraw/zinc/42/64/01/586426401.db2.gz KRMQIKXXINFVDR-BFHYXJOUSA-N 1 3 224.392 2.782 10 0 BFAEHO CCC[C@H](C)[N@H+]1CCC[C@@]12CCCN[C@@H]2C ZINC000757129048 586426403 /nfs/dbraw/zinc/42/64/03/586426403.db2.gz KRMQIKXXINFVDR-BFHYXJOUSA-N 1 3 224.392 2.782 10 0 BFAEHO [NH3+]C[C@@H]1CCN[C@H](c2cscc2C(F)F)C1 ZINC000757235801 586443543 /nfs/dbraw/zinc/44/35/43/586443543.db2.gz MTWKHYKKFNEAAE-XCBNKYQSSA-N 1 3 246.326 2.685 10 0 BFAEHO CC[C@H]([C@@H]1C[C@@H]1C)[NH+]1CCC(N)(CC)CC1 ZINC000714752982 712497224 /nfs/dbraw/zinc/49/72/24/712497224.db2.gz GPCHSFBLSXZFDB-YNEHKIRRSA-N 1 3 224.392 2.624 10 0 BFAEHO CC[C@H]([C@H]1C[C@H]1C)[NH+]1CCC(N)(CC)CC1 ZINC000714752979 712497238 /nfs/dbraw/zinc/49/72/38/712497238.db2.gz GPCHSFBLSXZFDB-FRRDWIJNSA-N 1 3 224.392 2.624 10 0 BFAEHO CCC1(N)CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000714756666 712497700 /nfs/dbraw/zinc/49/77/00/712497700.db2.gz LDROWTIFFUYSGN-OLZOCXBDSA-N 1 3 224.392 2.768 10 0 BFAEHO