smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CN(CCN(C)C)c2nc(CC[NH3+])nc3ccccc32)cc1 ZINC000065422136 205350591 /nfs/dbraw/zinc/35/05/91/205350591.db2.gz INBSSJFRQQOTDG-UHFFFAOYSA-N 1 3 363.509 3.008 50 0 FGAAHO COc1ccc(CN2CCCC2)cc1Oc1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000067756608 205389597 /nfs/dbraw/zinc/38/95/97/205389597.db2.gz NGANAGHYULAFKD-GOSISDBHSA-N 1 3 354.450 3.346 50 0 FGAAHO CN1CCCN(Cc2ccc([C@H]3CCCCO3)o2)CC12CC[NH+](C)CC2 ZINC000216452987 206359038 /nfs/dbraw/zinc/35/90/38/206359038.db2.gz DLQXQQDCCOADKY-LJQANCHMSA-N 1 3 361.530 3.123 50 0 FGAAHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000230237289 497103943 /nfs/dbraw/zinc/10/39/43/497103943.db2.gz BZJOJWPXUHIIQF-YPAWHYETSA-N 1 3 369.553 3.183 50 0 FGAAHO CC(C)[NH+]1CCC(N2CCN(CCCC3CCCC3)C[C@H]2CCO)CC1 ZINC000104363605 206237799 /nfs/dbraw/zinc/23/77/99/206237799.db2.gz GXHMUJGRDYYDEE-JOCHJYFZSA-N 1 3 365.606 3.198 50 0 FGAAHO Cc1cc(C)c(C[N@H+](C)CCc2ccncc2)cc1CN1CCN(C)CC1 ZINC000215929349 206351171 /nfs/dbraw/zinc/35/11/71/206351171.db2.gz JYRGMVYKUMTRSL-UHFFFAOYSA-N 1 3 366.553 3.120 50 0 FGAAHO Cc1cc(C)c(C[N@@H+](C)CCc2ccncc2)cc1CN1CCN(C)CC1 ZINC000215929349 206351175 /nfs/dbraw/zinc/35/11/75/206351175.db2.gz JYRGMVYKUMTRSL-UHFFFAOYSA-N 1 3 366.553 3.120 50 0 FGAAHO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3ccc4nccc(N)c4c3)c2)C1 ZINC000534648377 504202941 /nfs/dbraw/zinc/20/29/41/504202941.db2.gz ANAALHAAIUVSSW-GOSISDBHSA-N 1 3 360.461 3.260 50 0 FGAAHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000039748184 205047623 /nfs/dbraw/zinc/04/76/23/205047623.db2.gz UWEVVMJQXYZQES-BGYRXZFFSA-N 1 3 371.569 3.383 50 0 FGAAHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000039748184 205047626 /nfs/dbraw/zinc/04/76/26/205047626.db2.gz UWEVVMJQXYZQES-BGYRXZFFSA-N 1 3 371.569 3.383 50 0 FGAAHO O=C([C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000014542410 494320037 /nfs/dbraw/zinc/32/00/37/494320037.db2.gz GLBPAUPBZUYZGL-FGZHOGPDSA-N 1 3 369.553 3.233 50 0 FGAAHO O=C([C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccccc2)C1)N1CCCCC1 ZINC000014542410 494320041 /nfs/dbraw/zinc/32/00/41/494320041.db2.gz GLBPAUPBZUYZGL-FGZHOGPDSA-N 1 3 369.553 3.233 50 0 FGAAHO Cc1ccc([C@H]2CN(C(=O)C3([NH+]4CCCCC4)CCCCC3)C[C@@H]2N)o1 ZINC000091829174 494694092 /nfs/dbraw/zinc/69/40/92/494694092.db2.gz RHECITMJZFXFBZ-ROUUACIJSA-N 1 3 359.514 3.030 50 0 FGAAHO CCOC1CC(C[N@H+](C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000253417445 497333017 /nfs/dbraw/zinc/33/30/17/497333017.db2.gz OPSJPESEZYMXSB-KITAHSCOSA-N 1 3 360.542 3.179 50 0 FGAAHO CCOC1CC(C[N@@H+](C)CC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000253417445 497333021 /nfs/dbraw/zinc/33/30/21/497333021.db2.gz OPSJPESEZYMXSB-KITAHSCOSA-N 1 3 360.542 3.179 50 0 FGAAHO COc1ccc(F)c(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)c(C)o2)c1 ZINC000067867577 205399873 /nfs/dbraw/zinc/39/98/73/205399873.db2.gz HLUIMQULLFHXAM-UHFFFAOYSA-N 1 3 359.445 3.373 50 0 FGAAHO C[NH+](C)Cc1ccc(CNC[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000008428554 206215461 /nfs/dbraw/zinc/21/54/61/206215461.db2.gz QIPWTOYXVHYLRG-JTHBVZDNSA-N 1 3 368.521 3.293 50 0 FGAAHO CN(C)Cc1ccc(C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000008428554 206215463 /nfs/dbraw/zinc/21/54/63/206215463.db2.gz QIPWTOYXVHYLRG-JTHBVZDNSA-N 1 3 368.521 3.293 50 0 FGAAHO C[NH+](C)Cc1ccc(CNC[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000008428555 206216490 /nfs/dbraw/zinc/21/64/90/206216490.db2.gz QIPWTOYXVHYLRG-FYYLOGMGSA-N 1 3 368.521 3.293 50 0 FGAAHO CN(C)Cc1ccc(C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)cc1 ZINC000008428555 206216494 /nfs/dbraw/zinc/21/64/94/206216494.db2.gz QIPWTOYXVHYLRG-FYYLOGMGSA-N 1 3 368.521 3.293 50 0 FGAAHO Cc1cc(C)c(C[N@H+](C)CCC[C@H]2CCCO2)cc1CN1CCN(C)CC1 ZINC000215892894 206351823 /nfs/dbraw/zinc/35/18/23/206351823.db2.gz LHQYRNCZDAVMFA-QHCPKHFHSA-N 1 3 373.585 3.442 50 0 FGAAHO Cc1cc(C)c(C[N@@H+](C)CCC[C@H]2CCCO2)cc1CN1CCN(C)CC1 ZINC000215892894 206351831 /nfs/dbraw/zinc/35/18/31/206351831.db2.gz LHQYRNCZDAVMFA-QHCPKHFHSA-N 1 3 373.585 3.442 50 0 FGAAHO CN1CCC(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)(c2ccccc2)CC1 ZINC000095386640 494972210 /nfs/dbraw/zinc/97/22/10/494972210.db2.gz AETOQZVZBXCDPC-HXUWFJFHSA-N 1 3 357.542 3.031 50 0 FGAAHO CN1CCC(CNC(=O)CC[C@H]2CCCC[N@H+]2C)(c2ccccc2)CC1 ZINC000095386640 494972216 /nfs/dbraw/zinc/97/22/16/494972216.db2.gz AETOQZVZBXCDPC-HXUWFJFHSA-N 1 3 357.542 3.031 50 0 FGAAHO COc1cc(C)c(CN2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000097272522 495031206 /nfs/dbraw/zinc/03/12/06/495031206.db2.gz HETUFYVXVYXRKW-LJQANCHMSA-N 1 3 359.558 3.160 50 0 FGAAHO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCCCCCC1 ZINC000243893577 497362002 /nfs/dbraw/zinc/36/20/02/497362002.db2.gz ASMBZXBHYWKCGV-OAQYLSRUSA-N 1 3 357.542 3.233 50 0 FGAAHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCCCCCC1 ZINC000243893577 497362006 /nfs/dbraw/zinc/36/20/06/497362006.db2.gz ASMBZXBHYWKCGV-OAQYLSRUSA-N 1 3 357.542 3.233 50 0 FGAAHO C[N@@H+]1CCC[C@H]1CCOc1cc(-c2cccnc2)cc2c1OCCNC2 ZINC000299785414 523847513 /nfs/dbraw/zinc/84/75/13/523847513.db2.gz ZFVFJIUMXGZNDX-IBGZPJMESA-N 1 3 353.466 3.094 50 0 FGAAHO C[N@H+]1CCC[C@H]1CCOc1cc(-c2cccnc2)cc2c1OCCNC2 ZINC000299785414 523847518 /nfs/dbraw/zinc/84/75/18/523847518.db2.gz ZFVFJIUMXGZNDX-IBGZPJMESA-N 1 3 353.466 3.094 50 0 FGAAHO Cc1c(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)cnn1CCN1CC=CCC1 ZINC000065424560 205351075 /nfs/dbraw/zinc/35/10/75/205351075.db2.gz FDDQGGNQDXZUAG-UHFFFAOYSA-N 1 3 373.589 3.194 50 0 FGAAHO CC(C)[NH+]1CCC(CC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000095389533 205752357 /nfs/dbraw/zinc/75/23/57/205752357.db2.gz PPZBNQLQBXOOCB-QGZVFWFLSA-N 1 3 372.431 3.366 50 0 FGAAHO CCN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000011763055 494190063 /nfs/dbraw/zinc/19/00/63/494190063.db2.gz GPCFESRKXHDSSA-UHFFFAOYSA-N 1 3 357.542 3.150 50 0 FGAAHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000095939820 494990532 /nfs/dbraw/zinc/99/05/32/494990532.db2.gz OIIODFGGYXZRNI-IFMALSPDSA-N 1 3 369.553 3.231 50 0 FGAAHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000095939820 494990535 /nfs/dbraw/zinc/99/05/35/494990535.db2.gz OIIODFGGYXZRNI-IFMALSPDSA-N 1 3 369.553 3.231 50 0 FGAAHO COc1cccc2c1CC[C@H]([NH2+]CC1CCN(c3ccncc3)CC1)C2 ZINC000192445087 497116989 /nfs/dbraw/zinc/11/69/89/497116989.db2.gz WCNBLVOJGBCHEA-IBGZPJMESA-N 1 3 351.494 3.454 50 0 FGAAHO O=C(c1ccc(C[C@H]2CCC[NH2+]C2)cc1)N1CCCN(C2CCCC2)CC1 ZINC000077341755 494061326 /nfs/dbraw/zinc/06/13/26/494061326.db2.gz SCNYYUVZLFQXKB-HXUWFJFHSA-N 1 3 369.553 3.319 50 0 FGAAHO C[C@@H]1CCC[N@H+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000072437775 494174552 /nfs/dbraw/zinc/17/45/52/494174552.db2.gz JHIFUMOTEVNJRY-LJQANCHMSA-N 1 3 357.542 3.137 50 0 FGAAHO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000072437775 494174559 /nfs/dbraw/zinc/17/45/59/494174559.db2.gz JHIFUMOTEVNJRY-LJQANCHMSA-N 1 3 357.542 3.137 50 0 FGAAHO COCCC[N@H+](C)[C@@H]1c2ccccc2C2(CCN(CC=C(C)C)CC2)[C@H]1O ZINC000019148246 494436522 /nfs/dbraw/zinc/43/65/22/494436522.db2.gz KZPZXUJXCGZULU-YADHBBJMSA-N 1 3 372.553 3.370 50 0 FGAAHO COCCC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(CC=C(C)C)CC2)[C@H]1O ZINC000019148246 494436528 /nfs/dbraw/zinc/43/65/28/494436528.db2.gz KZPZXUJXCGZULU-YADHBBJMSA-N 1 3 372.553 3.370 50 0 FGAAHO Nc1nccc(C2CCN(Cc3cc(C[NH+]4CCCC4)cs3)CC2)n1 ZINC000215163884 222642054 /nfs/dbraw/zinc/64/20/54/222642054.db2.gz BPDVBNLJKZOBMN-UHFFFAOYSA-N 1 3 357.527 3.096 50 0 FGAAHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000299738415 205115745 /nfs/dbraw/zinc/11/57/45/205115745.db2.gz ANFYHIWDKXFVFN-BVYCBKJFSA-N 1 3 365.521 3.446 50 0 FGAAHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000299738415 205115749 /nfs/dbraw/zinc/11/57/49/205115749.db2.gz ANFYHIWDKXFVFN-BVYCBKJFSA-N 1 3 365.521 3.446 50 0 FGAAHO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cccc(OCCN3CCCCC3)c1)C2 ZINC000216206364 206356726 /nfs/dbraw/zinc/35/67/26/206356726.db2.gz GSFIAWSRUNXDKN-LEWJYISDSA-N 1 3 357.542 3.220 50 0 FGAAHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cccc(OCCN3CCCCC3)c1)C2 ZINC000216206364 206356733 /nfs/dbraw/zinc/35/67/33/206356733.db2.gz GSFIAWSRUNXDKN-LEWJYISDSA-N 1 3 357.542 3.220 50 0 FGAAHO Cc1c[nH+]ccc1N1CCN(Cc2cc(CN3CCCC3)cs2)CC1 ZINC000097099108 132227562 /nfs/dbraw/zinc/22/75/62/132227562.db2.gz CROUUCFGSNEUFG-UHFFFAOYSA-N 1 3 356.539 3.370 50 0 FGAAHO CC[NH+](CC)CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072137200 494132479 /nfs/dbraw/zinc/13/24/79/494132479.db2.gz PHINLIFTTLHWTH-HXUWFJFHSA-N 1 3 363.521 3.226 50 0 FGAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000091858306 494707203 /nfs/dbraw/zinc/70/72/03/494707203.db2.gz WFFYXZHKBIWIMV-NRFANRHFSA-N 1 3 369.553 3.200 50 0 FGAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000091858306 494707212 /nfs/dbraw/zinc/70/72/12/494707212.db2.gz WFFYXZHKBIWIMV-NRFANRHFSA-N 1 3 369.553 3.200 50 0 FGAAHO CC(C)N1CCC[C@H](N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000092821283 494764834 /nfs/dbraw/zinc/76/48/34/494764834.db2.gz QOFOCINVIYFGON-FQEVSTJZSA-N 1 3 358.530 3.019 50 0 FGAAHO CCN(CCN1CCCCCC1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095364523 494965602 /nfs/dbraw/zinc/96/56/02/494965602.db2.gz GJBNDZSHDZYJEB-NRFANRHFSA-N 1 3 357.542 3.492 50 0 FGAAHO O[C@H](COc1cccc(CN2CCC(F)CC2)c1)C[NH+]1CCCCCC1 ZINC000095529750 494988309 /nfs/dbraw/zinc/98/83/09/494988309.db2.gz JOBQXZBZJGBZSN-FQEVSTJZSA-N 1 3 364.505 3.236 50 0 FGAAHO CN(c1ccccc1CN1CC[C@H](C(C)(C)C)[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000095997181 494993757 /nfs/dbraw/zinc/99/37/57/494993757.db2.gz CDMQXQFNHHKSMT-UNMCSNQZSA-N 1 3 373.585 3.446 50 0 FGAAHO CSCCC[NH+]1CCC2(CCN(Cc3ccsc3)C[C@@H]2CO)CC1 ZINC000097609974 495040203 /nfs/dbraw/zinc/04/02/03/495040203.db2.gz SVNZNTGWKPHFAO-GOSISDBHSA-N 1 3 368.612 3.398 50 0 FGAAHO Cc1ccc(C2(CN(C)Cc3ccc4nsnc4c3)CC[NH2+]CC2)nc1 ZINC000065495198 205355257 /nfs/dbraw/zinc/35/52/57/205355257.db2.gz HPLRLSQGRJGUHD-UHFFFAOYSA-N 1 3 367.522 3.148 50 0 FGAAHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000067452919 205373564 /nfs/dbraw/zinc/37/35/64/205373564.db2.gz DEXQTYBONZNHKK-GASCZTMLSA-N 1 3 355.320 3.428 50 0 FGAAHO C[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)N3CCCC3)CC2)C1 ZINC000092107671 494794163 /nfs/dbraw/zinc/79/41/63/494794163.db2.gz QVBMZYRGXQTUAG-NRFANRHFSA-N 1 3 369.553 3.200 50 0 FGAAHO C[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)N3CCCC3)CC2)C1 ZINC000092107671 494794167 /nfs/dbraw/zinc/79/41/67/494794167.db2.gz QVBMZYRGXQTUAG-NRFANRHFSA-N 1 3 369.553 3.200 50 0 FGAAHO CC(C)[NH+]1CCC(O)(CN[C@H](C)c2ccc(Br)cc2)CC1 ZINC000242273582 209897761 /nfs/dbraw/zinc/89/77/61/209897761.db2.gz YECVEASKKCGMPF-CQSZACIVSA-N 1 3 355.320 3.335 50 0 FGAAHO COc1cc(CN2CCCC2)ccc1Oc1ccc2c(c1)C[C@@H](C[NH3+])O2 ZINC000067974965 208744445 /nfs/dbraw/zinc/74/44/45/208744445.db2.gz DQLQLQAARIICML-SFHVURJKSA-N 1 3 354.450 3.346 50 0 FGAAHO CC[NH+]1CCC(CC(=O)NCCN2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000095378758 209038515 /nfs/dbraw/zinc/03/85/15/209038515.db2.gz IMTXTOQPNXFGSV-OAQYLSRUSA-N 1 3 357.542 3.104 50 0 FGAAHO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000048711591 493842003 /nfs/dbraw/zinc/84/20/03/493842003.db2.gz ZNTSQJFFHSIPIS-HNNXBMFYSA-N 1 3 360.452 3.341 50 0 FGAAHO CC(C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCN1Cc1ccc(F)cc1 ZINC000072162819 494139965 /nfs/dbraw/zinc/13/99/65/494139965.db2.gz NYKIPBLNXHJWDU-FQEVSTJZSA-N 1 3 363.521 3.225 50 0 FGAAHO CC(C)[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCN1Cc1ccc(F)cc1 ZINC000072162819 494139968 /nfs/dbraw/zinc/13/99/68/494139968.db2.gz NYKIPBLNXHJWDU-FQEVSTJZSA-N 1 3 363.521 3.225 50 0 FGAAHO Cc1cc(CNC[C@@H](C)n2cncn2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000055197051 494313177 /nfs/dbraw/zinc/31/31/77/494313177.db2.gz JVASELVVVIEWGI-GOSISDBHSA-N 1 3 355.530 3.478 50 0 FGAAHO COc1ccc(/C=C/c2nc3ccccc3c([C@@H](CN)C[NH+](C)C)n2)cc1 ZINC000299803819 497929168 /nfs/dbraw/zinc/92/91/68/497929168.db2.gz FJTVMDDTEJWJIV-RTGRKSDTSA-N 1 3 362.477 3.413 50 0 FGAAHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000095939821 209086772 /nfs/dbraw/zinc/08/67/72/209086772.db2.gz OIIODFGGYXZRNI-RBBKRZOGSA-N 1 3 369.553 3.231 50 0 FGAAHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C1CC1)N1CCCC1 ZINC000095939821 209086774 /nfs/dbraw/zinc/08/67/74/209086774.db2.gz OIIODFGGYXZRNI-RBBKRZOGSA-N 1 3 369.553 3.231 50 0 FGAAHO CC(C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCN1Cc1ccc(F)cc1 ZINC000072133909 494131303 /nfs/dbraw/zinc/13/13/03/494131303.db2.gz RAQQYFTVKHTDQU-FQEVSTJZSA-N 1 3 363.521 3.226 50 0 FGAAHO Clc1ccc(Cl)c(-c2ccc(CNCCN3CC[NH2+]CC3)o2)c1 ZINC000020435947 494473237 /nfs/dbraw/zinc/47/32/37/494473237.db2.gz UBOHJEKJOSDQPQ-UHFFFAOYSA-N 1 3 354.281 3.248 50 0 FGAAHO Cc1ccc([C@@H](CNC(=O)N(C)CC[N@H+](C)C2CCCC2)N(C)C)cc1 ZINC000534639235 504199234 /nfs/dbraw/zinc/19/92/34/504199234.db2.gz REQXSFWEBYKDAV-HXUWFJFHSA-N 1 3 360.546 3.114 50 0 FGAAHO Cc1ccc([C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CCCC2)N(C)C)cc1 ZINC000534639235 504199237 /nfs/dbraw/zinc/19/92/37/504199237.db2.gz REQXSFWEBYKDAV-HXUWFJFHSA-N 1 3 360.546 3.114 50 0 FGAAHO COc1cc(Br)cc(CNCC2CC[NH2+]CC2)c1OC(C)C ZINC000040719569 522028025 /nfs/dbraw/zinc/02/80/25/522028025.db2.gz IMPYSWJGUMBZGS-UHFFFAOYSA-N 1 3 371.319 3.334 50 0 FGAAHO OC[C@H]1CN(Cc2cccc(O)c2)CCC12CC[NH+](C1CCCC1)CC2 ZINC000097602493 209188716 /nfs/dbraw/zinc/18/87/16/209188716.db2.gz VVHZCWUQFMVILH-LJQANCHMSA-N 1 3 358.526 3.231 50 0 FGAAHO CCCCC[NH+]1CCC(N2CCC[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071524407 494092842 /nfs/dbraw/zinc/09/28/42/494092842.db2.gz VVVRSLZMJSBXOS-FQEVSTJZSA-N 1 3 372.557 3.064 50 0 FGAAHO [NH3+][C@@H]1c2ccccc2C2(CCN(Cc3ccc4ccccc4n3)CC2)[C@H]1O ZINC000072143957 494133317 /nfs/dbraw/zinc/13/33/17/494133317.db2.gz IURAZIQYJBCYTK-YADHBBJMSA-N 1 3 359.473 3.143 50 0 FGAAHO CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(CCc2ccccc2)C1 ZINC000014748699 494324447 /nfs/dbraw/zinc/32/44/47/494324447.db2.gz LTOKXLFFZSXEDC-FGZHOGPDSA-N 1 3 371.569 3.035 50 0 FGAAHO Cc1c[nH+]ccc1NCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000091678681 494642153 /nfs/dbraw/zinc/64/21/53/494642153.db2.gz QCVQDBKZWBTYQP-UHFFFAOYSA-N 1 3 352.482 3.218 50 0 FGAAHO CN1CCCN(Cc2ccc([C@@H]3CCCCO3)o2)CC12CC[NH+](C)CC2 ZINC000067805519 494651571 /nfs/dbraw/zinc/65/15/71/494651571.db2.gz DLQXQQDCCOADKY-IBGZPJMESA-N 1 3 361.530 3.123 50 0 FGAAHO CC(C)[NH+]1CCC(O)(CN[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000242273581 497353693 /nfs/dbraw/zinc/35/36/93/497353693.db2.gz YECVEASKKCGMPF-AWEZNQCLSA-N 1 3 355.320 3.335 50 0 FGAAHO CCC[NH+]1CCC(N2CC[C@@H](n3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000575550169 505980961 /nfs/dbraw/zinc/98/09/61/505980961.db2.gz RJOLLSJAQHQLOL-HXUWFJFHSA-N 1 3 353.514 3.375 50 0 FGAAHO O[C@@H](COc1cccc(CN2CCC(F)CC2)c1)C[NH+]1CCCCCC1 ZINC000095529749 209076923 /nfs/dbraw/zinc/07/69/23/209076923.db2.gz JOBQXZBZJGBZSN-HXUWFJFHSA-N 1 3 364.505 3.236 50 0 FGAAHO Cc1cc(C)c(-n2cccn2)c(C[NH+]2CCC(OCCN(C)C)CC2)c1 ZINC000216215923 496987495 /nfs/dbraw/zinc/98/74/95/496987495.db2.gz OHVYHXPIEJEYCJ-UHFFFAOYSA-N 1 3 356.514 3.032 50 0 FGAAHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000243893595 497362243 /nfs/dbraw/zinc/36/22/43/497362243.db2.gz ASQSEEQOZHBDKW-HNNXBMFYSA-N 1 3 353.894 3.093 50 0 FGAAHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000243893595 497362250 /nfs/dbraw/zinc/36/22/50/497362250.db2.gz ASQSEEQOZHBDKW-HNNXBMFYSA-N 1 3 353.894 3.093 50 0 FGAAHO CCC[NH+]1CCC(N2CC[C@H](n3c(C)cnc3-c3ccncc3)C2)CC1 ZINC000575550166 505981037 /nfs/dbraw/zinc/98/10/37/505981037.db2.gz RJOLLSJAQHQLOL-FQEVSTJZSA-N 1 3 353.514 3.375 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237585654 209350907 /nfs/dbraw/zinc/35/09/07/209350907.db2.gz IIXNMFJKPWAWEP-QIJUGHKUSA-N 1 3 365.521 3.240 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237585654 209350913 /nfs/dbraw/zinc/35/09/13/209350913.db2.gz IIXNMFJKPWAWEP-QIJUGHKUSA-N 1 3 365.521 3.240 50 0 FGAAHO CC(C)(C)c1nn(-c2ccccc2)cc1CN1CCC(OCCC[NH3+])CC1 ZINC000097102813 209171608 /nfs/dbraw/zinc/17/16/08/209171608.db2.gz MWVOKKFVNUQMFR-UHFFFAOYSA-N 1 3 370.541 3.500 50 0 FGAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccco2)CC1 ZINC000012432031 207376073 /nfs/dbraw/zinc/37/60/73/207376073.db2.gz MVIYLFLYFGDAFW-PDGUBNMISA-N 1 3 373.541 3.386 50 0 FGAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(C/C=C/c2ccco2)CC1 ZINC000012432031 207376077 /nfs/dbraw/zinc/37/60/77/207376077.db2.gz MVIYLFLYFGDAFW-PDGUBNMISA-N 1 3 373.541 3.386 50 0 FGAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2ccccn2)CC1 ZINC000012443123 207378263 /nfs/dbraw/zinc/37/82/63/207378263.db2.gz YDOOVGYOAZOCKR-UHFFFAOYSA-N 1 3 353.510 3.477 50 0 FGAAHO CCN(C)Cc1ccc(OC)cc1OC[C@@H](O)C[NH+]1CCCCCCC1 ZINC000039541480 208210863 /nfs/dbraw/zinc/21/08/63/208210863.db2.gz ULQNBBNTSGDNDV-IBGZPJMESA-N 1 3 364.530 3.153 50 0 FGAAHO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OCCN1CCCCC1)C2 ZINC000215163506 496979437 /nfs/dbraw/zinc/97/94/37/496979437.db2.gz AYSGFJZOLMHUIB-PZJWPPBQSA-N 1 3 357.542 3.077 50 0 FGAAHO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1OCCN1CCCCC1)C2 ZINC000215163506 496979438 /nfs/dbraw/zinc/97/94/38/496979438.db2.gz AYSGFJZOLMHUIB-PZJWPPBQSA-N 1 3 357.542 3.077 50 0 FGAAHO C[NH+]1CCC(CNC(=O)C2(N3CCCC3)CCCC2)(c2ccccc2)CC1 ZINC000223714742 497041661 /nfs/dbraw/zinc/04/16/61/497041661.db2.gz IHMSGEDDLJEYRZ-UHFFFAOYSA-N 1 3 369.553 3.175 50 0 FGAAHO CSCCC[NH+]1CCC2(CCN(Cc3ccc(C)o3)C[C@@H]2CO)CC1 ZINC000097713602 209193087 /nfs/dbraw/zinc/19/30/87/209193087.db2.gz DRGVUJGQUFENEP-GOSISDBHSA-N 1 3 366.571 3.238 50 0 FGAAHO CN(C)CC[NH+]1CCC(CNCc2csc(-c3ccsc3)n2)CC1 ZINC000072274481 494147680 /nfs/dbraw/zinc/14/76/80/494147680.db2.gz IZJVGHXHPLDVCI-UHFFFAOYSA-N 1 3 364.584 3.235 50 0 FGAAHO CN1CC[C@@H](N2CC3(CCC2=O)CC[NH+](CCCc2ccccc2)CC3)C1 ZINC000091707488 494655412 /nfs/dbraw/zinc/65/54/12/494655412.db2.gz XYHXUJOBDTYZSA-OAQYLSRUSA-N 1 3 369.553 3.028 50 0 FGAAHO OCCNCCC[NH2+]Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000247739200 496911784 /nfs/dbraw/zinc/91/17/84/496911784.db2.gz MONFWAAHLGTHBO-UHFFFAOYSA-N 1 3 371.912 3.405 50 0 FGAAHO Cc1cccc(Cn2cc(C[NH2+]CCCNCCO)c3ccccc32)c1 ZINC000247871008 496923800 /nfs/dbraw/zinc/92/38/00/496923800.db2.gz LEFBQRPQBQHOSM-UHFFFAOYSA-N 1 3 351.494 3.060 50 0 FGAAHO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3ccc4nccc(N)c4c3)c2)C1 ZINC000534648378 504202494 /nfs/dbraw/zinc/20/24/94/504202494.db2.gz ANAALHAAIUVSSW-SFHVURJKSA-N 1 3 360.461 3.260 50 0 FGAAHO CCN(CC)Cc1cc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c(-c2ccccc2)o1 ZINC000077487146 571140503 /nfs/dbraw/zinc/14/05/03/571140503.db2.gz AFXOWJAQPBSYMG-FXAWDEMLSA-N 1 3 367.493 3.222 50 0 FGAAHO CN(C)[C@@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000097337194 209178393 /nfs/dbraw/zinc/17/83/93/209178393.db2.gz SRFHETVTVBRRMM-FQEVSTJZSA-N 1 3 360.546 3.243 50 0 FGAAHO CN(C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000097337194 209178396 /nfs/dbraw/zinc/17/83/96/209178396.db2.gz SRFHETVTVBRRMM-FQEVSTJZSA-N 1 3 360.546 3.243 50 0 FGAAHO [NH3+]CCc1cccc(CN2CCC([C@H](O)CCc3ccccc3)CC2)c1 ZINC000072422537 494169369 /nfs/dbraw/zinc/16/93/69/494169369.db2.gz KNWKVVVZGHCKGF-HSZRJFAPSA-N 1 3 352.522 3.394 50 0 FGAAHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000108394268 570906832 /nfs/dbraw/zinc/90/68/32/570906832.db2.gz OIIODFGGYXZRNI-UNMCSNQZSA-N 1 3 369.553 3.231 50 0 FGAAHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000108394268 570906835 /nfs/dbraw/zinc/90/68/35/570906835.db2.gz OIIODFGGYXZRNI-UNMCSNQZSA-N 1 3 369.553 3.231 50 0 FGAAHO CCC(CC)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1 ZINC000012448274 494234990 /nfs/dbraw/zinc/23/49/90/494234990.db2.gz OAZYRFLFUJANAV-UHFFFAOYSA-N 1 3 372.557 3.063 50 0 FGAAHO CCc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](CCOC)CC2)o1 ZINC000012760863 494255047 /nfs/dbraw/zinc/25/50/47/494255047.db2.gz XIMZKQHTNMRNBA-FQEVSTJZSA-N 1 3 364.530 3.181 50 0 FGAAHO O=c1cc([C@H]2C[C@@H]([NH2+]C3CCC4(CC[NH2+]CC4)CC3)C2)nc(C2CC2)[n-]1 ZINC000253535373 497336742 /nfs/dbraw/zinc/33/67/42/497336742.db2.gz NGSJTJRZKRWWFQ-WOVMCDHWSA-N 1 3 356.514 3.208 50 0 FGAAHO Cc1ccsc1CN(CCN(C)C)C(=O)NCC[C@H]1CCCC[N@@H+]1C ZINC000426551312 500288232 /nfs/dbraw/zinc/28/82/32/500288232.db2.gz OHWPGGCJZIVDQA-QGZVFWFLSA-N 1 3 366.575 3.004 50 0 FGAAHO Cc1ccsc1CN(CCN(C)C)C(=O)NCC[C@H]1CCCC[N@H+]1C ZINC000426551312 500288236 /nfs/dbraw/zinc/28/82/36/500288236.db2.gz OHWPGGCJZIVDQA-QGZVFWFLSA-N 1 3 366.575 3.004 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269253264 525415686 /nfs/dbraw/zinc/41/56/86/525415686.db2.gz IIXNMFJKPWAWEP-STZQEDGTSA-N 1 3 365.521 3.240 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269253264 525415692 /nfs/dbraw/zinc/41/56/92/525415692.db2.gz IIXNMFJKPWAWEP-STZQEDGTSA-N 1 3 365.521 3.240 50 0 FGAAHO OCCNCCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000040720713 211755304 /nfs/dbraw/zinc/75/53/04/211755304.db2.gz WNEFJYVHCSVCLW-UHFFFAOYSA-N 1 3 366.864 3.120 50 0 FGAAHO Cc1ccc(C2(CN(C)Cc3n[nH]c4c3CCCCC4)CC[NH2+]CC2)nc1 ZINC000067692342 221272640 /nfs/dbraw/zinc/27/26/40/221272640.db2.gz XPZOEUYZUPXGSF-UHFFFAOYSA-N 1 3 367.541 3.135 50 0 FGAAHO Cc1cccc(CC2(N[C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)c1 ZINC000072409682 494166467 /nfs/dbraw/zinc/16/64/67/494166467.db2.gz UIGFWIBKKFABFU-YADHBBJMSA-N 1 3 362.517 3.397 50 0 FGAAHO CC(=O)N1CCC(N2CC[C@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000012458004 494234740 /nfs/dbraw/zinc/23/47/40/494234740.db2.gz KFCFWFKIEXEKOZ-JOCHJYFZSA-N 1 3 361.574 3.366 50 0 FGAAHO CC(=O)N1CCC(N2CC[C@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000012458004 494234745 /nfs/dbraw/zinc/23/47/45/494234745.db2.gz KFCFWFKIEXEKOZ-JOCHJYFZSA-N 1 3 361.574 3.366 50 0 FGAAHO CN(C)CCNC(=O)CCC1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000012589126 494245487 /nfs/dbraw/zinc/24/54/87/494245487.db2.gz MGENZOSHHAYOMQ-ONEGZZNKSA-N 1 3 361.505 3.009 50 0 FGAAHO O=C(c1ccc([C@@H]2CCC[NH2+]C2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000095378652 494969468 /nfs/dbraw/zinc/96/94/68/494969468.db2.gz DCXZNGRLVXWCGG-HXUWFJFHSA-N 1 3 355.526 3.244 50 0 FGAAHO CN1CCC(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)(c2ccccc2)CC1 ZINC000095386639 494971995 /nfs/dbraw/zinc/97/19/95/494971995.db2.gz AETOQZVZBXCDPC-FQEVSTJZSA-N 1 3 357.542 3.031 50 0 FGAAHO CN1CCC(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)(c2ccccc2)CC1 ZINC000095386639 494971996 /nfs/dbraw/zinc/97/19/96/494971996.db2.gz AETOQZVZBXCDPC-FQEVSTJZSA-N 1 3 357.542 3.031 50 0 FGAAHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000058172678 221102913 /nfs/dbraw/zinc/10/29/13/221102913.db2.gz JREZLPZBOCDAOA-LJQANCHMSA-N 1 3 374.573 3.448 50 0 FGAAHO OC[C@@H]1CN(Cc2cccc(O)c2)CCC12CC[NH+](C1CCCC1)CC2 ZINC000097602491 222197592 /nfs/dbraw/zinc/19/75/92/222197592.db2.gz VVHZCWUQFMVILH-IBGZPJMESA-N 1 3 358.526 3.231 50 0 FGAAHO Cc1cccc(NC(=S)N(CCN(C)C)C2CC[NH+](C(C)C)CC2)c1 ZINC000003026003 493828816 /nfs/dbraw/zinc/82/88/16/493828816.db2.gz WQJNTZOQVXVJJR-UHFFFAOYSA-N 1 3 362.587 3.428 50 0 FGAAHO C[NH+](C)CCNC(=O)CCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012093236 494203600 /nfs/dbraw/zinc/20/36/00/494203600.db2.gz SMYQHJKCNYZZQO-UHFFFAOYSA-N 1 3 351.922 3.010 50 0 FGAAHO COc1ccc(C[NH2+]C(C)C)cc1OC[C@H](O)CN(C)Cc1ccccc1 ZINC000012597493 494245207 /nfs/dbraw/zinc/24/52/07/494245207.db2.gz YVNXDBKVJVEJEJ-HXUWFJFHSA-N 1 3 372.509 3.065 50 0 FGAAHO O=C(c1ccc([C@H]2CCC[NH2+]C2)cc1)N1CCN(C2CCCCC2)CC1 ZINC000095378653 494969801 /nfs/dbraw/zinc/96/98/01/494969801.db2.gz DCXZNGRLVXWCGG-FQEVSTJZSA-N 1 3 355.526 3.244 50 0 FGAAHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1OCC(F)(F)F ZINC000237443262 497238276 /nfs/dbraw/zinc/23/82/76/497238276.db2.gz JBRRVZIPUHNRBN-AWEZNQCLSA-N 1 3 358.404 3.210 50 0 FGAAHO O[C@H](COc1ccccc1C[NH2+]C1CCC1)CN1CCc2ccccc2C1 ZINC000012716303 220021435 /nfs/dbraw/zinc/02/14/35/220021435.db2.gz USQUJYMRZNMKMV-QFIPXVFZSA-N 1 3 366.505 3.127 50 0 FGAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC000039380389 494121378 /nfs/dbraw/zinc/12/13/78/494121378.db2.gz SHISYYUGNHKWCB-UHFFFAOYSA-N 1 3 369.553 3.294 50 0 FGAAHO Cc1cc(N2CCCN(Cc3ccc(Cn4cccn4)cc3)CC2)cc[nH+]1 ZINC000072154197 494136880 /nfs/dbraw/zinc/13/68/80/494136880.db2.gz HUGQWSKOURXYIG-UHFFFAOYSA-N 1 3 361.493 3.347 50 0 FGAAHO CN(C)CCNC(=O)c1sc2ccccc2c1C1CCC(C[NH3+])CC1 ZINC000072345877 494154741 /nfs/dbraw/zinc/15/47/41/494154741.db2.gz IAFZOVPODQLCKF-UHFFFAOYSA-N 1 3 359.539 3.425 50 0 FGAAHO Cc1ccc(CN(C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)C2CCCC2)cc1 ZINC000072432810 494173433 /nfs/dbraw/zinc/17/34/33/494173433.db2.gz FNDIPJNNDSFPFX-NRFANRHFSA-N 1 3 369.553 3.340 50 0 FGAAHO CCCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072431466 494173641 /nfs/dbraw/zinc/17/36/41/494173641.db2.gz DWSLIUYTAFCRHA-SFHVURJKSA-N 1 3 363.933 3.153 50 0 FGAAHO Cc1ccc(CNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)s1 ZINC000012752923 494255874 /nfs/dbraw/zinc/25/58/74/494255874.db2.gz FZAYENFNGWGNEQ-KRWDZBQOSA-N 1 3 363.571 3.258 50 0 FGAAHO [NH3+]CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(-c3ccccc3)s1)CC2 ZINC000091908052 494718723 /nfs/dbraw/zinc/71/87/23/494718723.db2.gz RBUYWGXANINSGF-UXHICEINSA-N 1 3 372.534 3.106 50 0 FGAAHO CN(c1ccccc1CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000095997180 494994160 /nfs/dbraw/zinc/99/41/60/494994160.db2.gz CDMQXQFNHHKSMT-IRLDBZIGSA-N 1 3 373.585 3.446 50 0 FGAAHO Cc1cc(CN2CCC(=O)N(C)CC2)c(C)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000215613698 496981807 /nfs/dbraw/zinc/98/18/07/496981807.db2.gz QDWAFXSNQBAUEN-SFHVURJKSA-N 1 3 357.542 3.342 50 0 FGAAHO Cc1cc(CN2CCC(=O)N(C)CC2)c(C)c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000215613698 496981812 /nfs/dbraw/zinc/98/18/12/496981812.db2.gz QDWAFXSNQBAUEN-SFHVURJKSA-N 1 3 357.542 3.342 50 0 FGAAHO c1ccc(OCCN2CCCCC2)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000216129048 568107311 /nfs/dbraw/zinc/10/73/11/568107311.db2.gz CXKPBQOVXQNKDC-NRFANRHFSA-N 1 3 357.542 3.221 50 0 FGAAHO c1ccc(OCCN2CCCCC2)c(CN2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000216129048 568107312 /nfs/dbraw/zinc/10/73/12/568107312.db2.gz CXKPBQOVXQNKDC-NRFANRHFSA-N 1 3 357.542 3.221 50 0 FGAAHO COCC[N@@H+]1CCC[C@H](CNCc2c[nH]nc2-c2ccc(C)c(C)c2)C1 ZINC000055118944 494304298 /nfs/dbraw/zinc/30/42/98/494304298.db2.gz FRCPSSNJVNMOPR-GOSISDBHSA-N 1 3 356.514 3.142 50 0 FGAAHO COCC[N@H+]1CCC[C@H](CNCc2c[nH]nc2-c2ccc(C)c(C)c2)C1 ZINC000055118944 494304303 /nfs/dbraw/zinc/30/43/03/494304303.db2.gz FRCPSSNJVNMOPR-GOSISDBHSA-N 1 3 356.514 3.142 50 0 FGAAHO CC[N@H+](CCC1CCN(CC(=O)N2CCCC[C@H]2C)CC1)CC(C)C ZINC000095459572 494976796 /nfs/dbraw/zinc/97/67/96/494976796.db2.gz JITJUZMWLTYJAX-LJQANCHMSA-N 1 3 351.579 3.467 50 0 FGAAHO CC[N@@H+](CCC1CCN(CC(=O)N2CCCC[C@H]2C)CC1)CC(C)C ZINC000095459572 494976799 /nfs/dbraw/zinc/97/67/99/494976799.db2.gz JITJUZMWLTYJAX-LJQANCHMSA-N 1 3 351.579 3.467 50 0 FGAAHO C[NH+](C)CC[C@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000584889093 507557018 /nfs/dbraw/zinc/55/70/18/507557018.db2.gz MXFKVFUDXOLMBI-NRFANRHFSA-N 1 3 372.557 3.339 50 0 FGAAHO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(CCC(=O)NC(C)C)C3)C2)c1 ZINC000426399237 571220041 /nfs/dbraw/zinc/22/00/41/571220041.db2.gz OLXWAGHMSLCSQN-QFIPXVFZSA-N 1 3 357.542 3.198 50 0 FGAAHO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CCC(=O)NC(C)C)C3)C2)c1 ZINC000426399237 571220044 /nfs/dbraw/zinc/22/00/44/571220044.db2.gz OLXWAGHMSLCSQN-QFIPXVFZSA-N 1 3 357.542 3.198 50 0 FGAAHO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)C4CCN(C)CC4)C3)C2)c1 ZINC000012031368 211316731 /nfs/dbraw/zinc/31/67/31/211316731.db2.gz LXKQNJBHWAYIQV-QHCPKHFHSA-N 1 3 369.553 3.151 50 0 FGAAHO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)C4CCN(C)CC4)C3)C2)c1 ZINC000012031368 211316733 /nfs/dbraw/zinc/31/67/33/211316733.db2.gz LXKQNJBHWAYIQV-QHCPKHFHSA-N 1 3 369.553 3.151 50 0 FGAAHO OCCNCCC[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000013733274 211053540 /nfs/dbraw/zinc/05/35/40/211053540.db2.gz JSDSPESFJPJIGJ-UHFFFAOYSA-N 1 3 371.912 3.405 50 0 FGAAHO Cn1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012300693 494220644 /nfs/dbraw/zinc/22/06/44/494220644.db2.gz LPHQTRGGABHAPK-OAQYLSRUSA-N 1 3 360.546 3.056 50 0 FGAAHO CN(C)CC[N@H+](C)[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998065 521748565 /nfs/dbraw/zinc/74/85/65/521748565.db2.gz AWRCQVUQGVZQIS-GOSISDBHSA-N 1 3 358.555 3.268 50 0 FGAAHO CN(C)CC[N@@H+](C)[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998065 521748567 /nfs/dbraw/zinc/74/85/67/521748567.db2.gz AWRCQVUQGVZQIS-GOSISDBHSA-N 1 3 358.555 3.268 50 0 FGAAHO CN(CC[NH+](C)C)[C@@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998065 521748570 /nfs/dbraw/zinc/74/85/70/521748570.db2.gz AWRCQVUQGVZQIS-GOSISDBHSA-N 1 3 358.555 3.268 50 0 FGAAHO c1coc(CN2CCC(N3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)CC2)c1 ZINC000091635865 526566025 /nfs/dbraw/zinc/56/60/25/526566025.db2.gz MCMLYXFAFUVROI-TZIWHRDSSA-N 1 3 357.542 3.440 50 0 FGAAHO c1coc(CN2CCC(N3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)CC2)c1 ZINC000091635865 526566029 /nfs/dbraw/zinc/56/60/29/526566029.db2.gz MCMLYXFAFUVROI-TZIWHRDSSA-N 1 3 357.542 3.440 50 0 FGAAHO CN1C[C@]2(CCCN(Cc3ccc(C[NH+]4CCCC4)s3)CC2)OC1=O ZINC000097572220 222192319 /nfs/dbraw/zinc/19/23/19/222192319.db2.gz JGKKIQSWVVSNAC-LJQANCHMSA-N 1 3 363.527 3.151 50 0 FGAAHO CC[C@H]1COCCN1Cc1cc(C)cc(CN2CC[NH+](CC)CC2)c1C ZINC000077488699 494093901 /nfs/dbraw/zinc/09/39/01/494093901.db2.gz ABBSXIOXQAYXGL-QFIPXVFZSA-N 1 3 359.558 3.052 50 0 FGAAHO CCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)cc1 ZINC000092020537 494759364 /nfs/dbraw/zinc/75/93/64/494759364.db2.gz AKDLLPBUQGCTHN-OAQYLSRUSA-N 1 3 369.553 3.158 50 0 FGAAHO Cc1nccn1CC[N@@H+](C)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000095509566 494983610 /nfs/dbraw/zinc/98/36/10/494983610.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 1 3 358.505 3.217 50 0 FGAAHO Cc1nccn1CC[N@H+](C)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000095509566 494983612 /nfs/dbraw/zinc/98/36/12/494983612.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 1 3 358.505 3.217 50 0 FGAAHO Cc1nccn1CCN(C)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000095509566 494983613 /nfs/dbraw/zinc/98/36/13/494983613.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 1 3 358.505 3.217 50 0 FGAAHO Cc1nccn1CCN(C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000095509566 494983615 /nfs/dbraw/zinc/98/36/15/494983615.db2.gz RMRZCOKYVFKADK-HXUWFJFHSA-N 1 3 358.505 3.217 50 0 FGAAHO OCCNCCC[NH2+]Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000247753696 496912132 /nfs/dbraw/zinc/91/21/32/496912132.db2.gz XWKVXNIYTHIJDC-UHFFFAOYSA-N 1 3 371.912 3.405 50 0 FGAAHO COCC[N@H+](C)CCCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000252509790 497308042 /nfs/dbraw/zinc/30/80/42/497308042.db2.gz YVTZSMXVOYRSPG-NRFANRHFSA-N 1 3 373.541 3.010 50 0 FGAAHO COCC[N@@H+](C)CCCC1CCN([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000252509790 497308047 /nfs/dbraw/zinc/30/80/47/497308047.db2.gz YVTZSMXVOYRSPG-NRFANRHFSA-N 1 3 373.541 3.010 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269268327 525244273 /nfs/dbraw/zinc/24/42/73/525244273.db2.gz QRWVCWFJLBDUPE-BVYCBKJFSA-N 1 3 365.521 3.068 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269268327 525244281 /nfs/dbraw/zinc/24/42/81/525244281.db2.gz QRWVCWFJLBDUPE-BVYCBKJFSA-N 1 3 365.521 3.068 50 0 FGAAHO CCc1cnc(C)nc1N1CCC([NH2+]Cc2ccccc2CN(C)C)CC1 ZINC000096166290 536019676 /nfs/dbraw/zinc/01/96/76/536019676.db2.gz YIWOXHNVBAHNBN-UHFFFAOYSA-N 1 3 367.541 3.168 50 0 FGAAHO COC[C@@H]1CN(Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789808 705351450 /nfs/dbraw/zinc/35/14/50/705351450.db2.gz IUEJUYJIHSRWHT-AWEZNQCLSA-N 1 3 371.294 3.036 50 0 FGAAHO CN(c1ccccc1)c1ccc(CN2CCC(O)(C[NH+](C)C)CC2)cc1 ZINC000216224358 222662040 /nfs/dbraw/zinc/66/20/40/222662040.db2.gz FGVPWIVUSGKVQS-UHFFFAOYSA-N 1 3 353.510 3.343 50 0 FGAAHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(Br)cc2)C[C@H](C)O1 ZINC000062253046 212029298 /nfs/dbraw/zinc/02/92/98/212029298.db2.gz DEXQTYBONZNHKK-GJZGRUSLSA-N 1 3 355.320 3.428 50 0 FGAAHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000108177413 494658373 /nfs/dbraw/zinc/65/83/73/494658373.db2.gz BZJOJWPXUHIIQF-FDFHNCONSA-N 1 3 369.553 3.183 50 0 FGAAHO CNCC(=O)N(CC1CC[NH+](CCc2ccccc2C)CC1)C1CCCC1 ZINC000095506927 494982791 /nfs/dbraw/zinc/98/27/91/494982791.db2.gz NPBRPPBOVPMJHJ-UHFFFAOYSA-N 1 3 371.569 3.240 50 0 FGAAHO Cc1cc(C)c(C[N@H+](C)CCC2CCOCC2)cc1CN1CCN(C)CC1 ZINC000215874969 496984716 /nfs/dbraw/zinc/98/47/16/496984716.db2.gz OJKSVIONKSMNPL-UHFFFAOYSA-N 1 3 373.585 3.299 50 0 FGAAHO Cc1cc(C)c(C[N@@H+](C)CCC2CCOCC2)cc1CN1CCN(C)CC1 ZINC000215874969 496984722 /nfs/dbraw/zinc/98/47/22/496984722.db2.gz OJKSVIONKSMNPL-UHFFFAOYSA-N 1 3 373.585 3.299 50 0 FGAAHO OCC1(C[NH+]2CCCC2)CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000223279234 497034760 /nfs/dbraw/zinc/03/47/60/497034760.db2.gz HSDFTJZXJWFTIX-UHFFFAOYSA-N 1 3 372.431 3.256 50 0 FGAAHO O=C(NCCC[NH2+][C@@H]1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000230237295 497103117 /nfs/dbraw/zinc/10/31/17/497103117.db2.gz BZJOJWPXUHIIQF-BHDDXSALSA-N 1 3 369.553 3.183 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237565186 497256039 /nfs/dbraw/zinc/25/60/39/497256039.db2.gz QRWVCWFJLBDUPE-COPCDDAFSA-N 1 3 365.521 3.068 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237565186 497256043 /nfs/dbraw/zinc/25/60/43/497256043.db2.gz QRWVCWFJLBDUPE-COPCDDAFSA-N 1 3 365.521 3.068 50 0 FGAAHO CCOC1CC(C[N@H+](C)CC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000253417446 497332470 /nfs/dbraw/zinc/33/24/70/497332470.db2.gz OPSJPESEZYMXSB-VTLFHKLASA-N 1 3 360.542 3.179 50 0 FGAAHO CCOC1CC(C[N@@H+](C)CC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000253417446 497332477 /nfs/dbraw/zinc/33/24/77/497332477.db2.gz OPSJPESEZYMXSB-VTLFHKLASA-N 1 3 360.542 3.179 50 0 FGAAHO CN(CCC[NH+]1CCCCCC1)C(=O)c1cccc(-c2cnccc2N)c1 ZINC000426395963 571219362 /nfs/dbraw/zinc/21/93/62/571219362.db2.gz OITJWSSMQNWDLB-UHFFFAOYSA-N 1 3 366.509 3.499 50 0 FGAAHO Cc1ccsc1CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420768 210140160 /nfs/dbraw/zinc/14/01/60/210140160.db2.gz NBPOGAJZSMAZHQ-SFHVURJKSA-N 1 3 357.523 3.044 50 0 FGAAHO Cc1ccsc1CNCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420768 210140165 /nfs/dbraw/zinc/14/01/65/210140165.db2.gz NBPOGAJZSMAZHQ-SFHVURJKSA-N 1 3 357.523 3.044 50 0 FGAAHO CC(C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000015068999 211117504 /nfs/dbraw/zinc/11/75/04/211117504.db2.gz KKTNZYPHIGPMOT-GOSISDBHSA-N 1 3 363.521 3.084 50 0 FGAAHO CCOc1c(Br)cc(C[NH2+]C[C@H]2CCCN(C)C2)cc1OC ZINC000068722539 493863675 /nfs/dbraw/zinc/86/36/75/493863675.db2.gz QTKZEOJNPLGXKA-CYBMUJFWSA-N 1 3 371.319 3.288 50 0 FGAAHO CCCCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072429411 494172601 /nfs/dbraw/zinc/17/26/01/494172601.db2.gz HNJVSIQNMDMZAL-LJQANCHMSA-N 1 3 361.505 3.028 50 0 FGAAHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237512955 497248697 /nfs/dbraw/zinc/24/86/97/497248697.db2.gz ANFYHIWDKXFVFN-QIJUGHKUSA-N 1 3 365.521 3.446 50 0 FGAAHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000237512955 497248704 /nfs/dbraw/zinc/24/87/04/497248704.db2.gz ANFYHIWDKXFVFN-QIJUGHKUSA-N 1 3 365.521 3.446 50 0 FGAAHO O=C(C1CC1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014965666 220136563 /nfs/dbraw/zinc/13/65/63/220136563.db2.gz AQKRTEXOSLZYGA-IBGZPJMESA-N 1 3 361.574 3.366 50 0 FGAAHO O=C(C1CC1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014965666 220136565 /nfs/dbraw/zinc/13/65/65/220136565.db2.gz AQKRTEXOSLZYGA-IBGZPJMESA-N 1 3 361.574 3.366 50 0 FGAAHO Cc1ccsc1[C@@H](CNc1nc(CC[NH3+])nc2ccccc21)N(C)C ZINC000065495306 221226690 /nfs/dbraw/zinc/22/66/90/221226690.db2.gz SVDKDBCTMCHTRP-MRXNPFEDSA-N 1 3 355.511 3.216 50 0 FGAAHO CN1C[C@@]2(CCCN(Cc3ccc(C[NH+]4CCCC4)s3)CC2)OC1=O ZINC000097572219 222192431 /nfs/dbraw/zinc/19/24/31/222192431.db2.gz JGKKIQSWVVSNAC-IBGZPJMESA-N 1 3 363.527 3.151 50 0 FGAAHO Cc1ccc2c(cc(C[NH+]3CCC([C@@H](C)N4CCOCC4)CC3)n2C)c1 ZINC000072409259 494166040 /nfs/dbraw/zinc/16/60/40/494166040.db2.gz HDEQJDFIIHELEG-GOSISDBHSA-N 1 3 355.526 3.419 50 0 FGAAHO Cc1ccccc1CNC(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000012431773 494232002 /nfs/dbraw/zinc/23/20/02/494232002.db2.gz QLRXRIJGYXFWAV-FQEVSTJZSA-N 1 3 357.542 3.196 50 0 FGAAHO Cc1ccccc1CC[NH+]1CCC(CN(C(=O)[C@@H](C)N)C2CCCC2)CC1 ZINC000095531428 494988230 /nfs/dbraw/zinc/98/82/30/494988230.db2.gz WPWQZCGOWJMJPS-LJQANCHMSA-N 1 3 371.569 3.368 50 0 FGAAHO Cc1cc(C)c(C[NH+]2CCC(F)(F)CC2)cc1CN1CCN(C)CC1 ZINC000215572216 496982591 /nfs/dbraw/zinc/98/25/91/496982591.db2.gz SHNHDCGSADTAMB-UHFFFAOYSA-N 1 3 351.485 3.282 50 0 FGAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccccc3OCCO)CC2)o1 ZINC000015074106 220146267 /nfs/dbraw/zinc/14/62/67/220146267.db2.gz LVBUXCKNICPMBB-UHFFFAOYSA-N 1 3 372.509 3.303 50 0 FGAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccccc3OCCO)CC2)o1 ZINC000015074106 220146271 /nfs/dbraw/zinc/14/62/71/220146271.db2.gz LVBUXCKNICPMBB-UHFFFAOYSA-N 1 3 372.509 3.303 50 0 FGAAHO CCN(CC)[C@H](CNc1nc(CC[NH3+])nc2ccccc21)c1ccco1 ZINC000065395839 221210647 /nfs/dbraw/zinc/21/06/47/221210647.db2.gz ILTJPWXSGSSNDQ-QGZVFWFLSA-N 1 3 353.470 3.219 50 0 FGAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3[nH]cnc3C)CC2)cc1 ZINC000011663213 494184925 /nfs/dbraw/zinc/18/49/25/494184925.db2.gz HNHPJSKCAHHPJG-UHFFFAOYSA-N 1 3 356.514 3.113 50 0 FGAAHO CN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000058166230 221101438 /nfs/dbraw/zinc/10/14/38/221101438.db2.gz FJWHRMWLPGRTGI-OAQYLSRUSA-N 1 3 372.557 3.345 50 0 FGAAHO CN1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000058166230 221101439 /nfs/dbraw/zinc/10/14/39/221101439.db2.gz FJWHRMWLPGRTGI-OAQYLSRUSA-N 1 3 372.557 3.345 50 0 FGAAHO OCCNCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000040720806 494146325 /nfs/dbraw/zinc/14/63/25/494146325.db2.gz FGKHQZOHBIWTHZ-UHFFFAOYSA-N 1 3 366.864 3.120 50 0 FGAAHO C[C@@H](C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1)N1CCOCC1 ZINC000072477299 494181117 /nfs/dbraw/zinc/18/11/17/494181117.db2.gz KEGVRFIVEWVZAW-HNNXBMFYSA-N 1 3 354.441 3.221 50 0 FGAAHO Cc1ccccc1CN1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111813975 495115261 /nfs/dbraw/zinc/11/52/61/495115261.db2.gz IJQABLDRUXXLJR-UHFFFAOYSA-N 1 3 372.557 3.131 50 0 FGAAHO C[C@@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N(C)C1CCCCC1 ZINC000223499952 497038589 /nfs/dbraw/zinc/03/85/89/497038589.db2.gz ROUYWYCXACLTGV-IBGZPJMESA-N 1 3 371.569 3.419 50 0 FGAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2cnn(C)c2C)CC1 ZINC000012578004 220009323 /nfs/dbraw/zinc/00/93/23/220009323.db2.gz YEKWGWKERRTYOT-UHFFFAOYSA-N 1 3 370.541 3.124 50 0 FGAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OC(C)C ZINC000040719591 494145889 /nfs/dbraw/zinc/14/58/89/494145889.db2.gz HHUVZHDZWGUMOY-UHFFFAOYSA-N 1 3 359.308 3.286 50 0 FGAAHO CCCN(Cc1cccc(Cl)c1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072431467 494174160 /nfs/dbraw/zinc/17/41/60/494174160.db2.gz DWSLIUYTAFCRHA-GOSISDBHSA-N 1 3 363.933 3.153 50 0 FGAAHO CC(C)[NH+]1CCC(N2CCN(CCCC3CCCC3)C[C@@H]2CCO)CC1 ZINC000095501917 494981159 /nfs/dbraw/zinc/98/11/59/494981159.db2.gz GXHMUJGRDYYDEE-QFIPXVFZSA-N 1 3 365.606 3.198 50 0 FGAAHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237528465 497250826 /nfs/dbraw/zinc/25/08/26/497250826.db2.gz QRWVCWFJLBDUPE-NYVOZVTQSA-N 1 3 365.521 3.068 50 0 FGAAHO C[C@H]1C[C@@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237528465 497250831 /nfs/dbraw/zinc/25/08/31/497250831.db2.gz QRWVCWFJLBDUPE-NYVOZVTQSA-N 1 3 365.521 3.068 50 0 FGAAHO C[N@H+](CCCNC(=O)c1ccc(-c2cnccc2N)cc1)C1CCCC1 ZINC000426690523 500307153 /nfs/dbraw/zinc/30/71/53/500307153.db2.gz FKDPGUPZZBKUKC-UHFFFAOYSA-N 1 3 352.482 3.155 50 0 FGAAHO C[N@@H+](CCCNC(=O)c1ccc(-c2cnccc2N)cc1)C1CCCC1 ZINC000426690523 500307156 /nfs/dbraw/zinc/30/71/56/500307156.db2.gz FKDPGUPZZBKUKC-UHFFFAOYSA-N 1 3 352.482 3.155 50 0 FGAAHO CC[N@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000012707894 220019924 /nfs/dbraw/zinc/01/99/24/220019924.db2.gz SLQFVQXXPMGUMM-FQEVSTJZSA-N 1 3 372.509 3.019 50 0 FGAAHO CC[N@@H+](C)Cc1ccc(OC)c(OC[C@@H](O)CN(C)Cc2ccccc2)c1 ZINC000012707894 220019928 /nfs/dbraw/zinc/01/99/28/220019928.db2.gz SLQFVQXXPMGUMM-FQEVSTJZSA-N 1 3 372.509 3.019 50 0 FGAAHO O=C(NC1CC1)[C@H]1CCCN(C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000014976815 220139061 /nfs/dbraw/zinc/13/90/61/220139061.db2.gz AQRHFEIHZBEDAF-FQEVSTJZSA-N 1 3 369.553 3.074 50 0 FGAAHO C[NH+]1CCC(n2[nH]cc3nc(-c4cc(CN5CCCC5)cs4)nc2-3)CC1 ZINC000019758998 220294877 /nfs/dbraw/zinc/29/48/77/220294877.db2.gz GRBQEUXXRSJSBY-UHFFFAOYSA-N 1 3 370.526 3.350 50 0 FGAAHO CC[C@@]1(CO)N[C@H](c2cccc(Oc3ccccc3)c2)[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000065403529 221213819 /nfs/dbraw/zinc/21/38/19/221213819.db2.gz YPMNCXNNNXSAIR-MBDNFAEBSA-N 1 3 352.478 3.442 50 0 FGAAHO CC[C@@]1(CO)N[C@H](c2cccc(Oc3ccccc3)c2)[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000065403529 221213821 /nfs/dbraw/zinc/21/38/21/221213821.db2.gz YPMNCXNNNXSAIR-MBDNFAEBSA-N 1 3 352.478 3.442 50 0 FGAAHO COc1ccc(-c2nc(CN3CCC4(C3)CC[NH2+]CC4)c(C)o2)c(F)c1 ZINC000067714039 221275113 /nfs/dbraw/zinc/27/51/13/221275113.db2.gz OZKIEZBAKFYAQL-UHFFFAOYSA-N 1 3 359.445 3.373 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000222209306 132276847 /nfs/dbraw/zinc/27/68/47/132276847.db2.gz XQQMZTSZVJXSAC-FPOVZHCZSA-N 1 3 359.558 3.057 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000222209306 132276848 /nfs/dbraw/zinc/27/68/48/132276848.db2.gz XQQMZTSZVJXSAC-FPOVZHCZSA-N 1 3 359.558 3.057 50 0 FGAAHO Cc1ccc(C)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)c1 ZINC000039550955 494122776 /nfs/dbraw/zinc/12/27/76/494122776.db2.gz OTDSYBCRCJSKGZ-HSZRJFAPSA-N 1 3 373.585 3.045 50 0 FGAAHO Cc1ccc(CN(C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)C2CCCC2)cc1 ZINC000072432812 494173625 /nfs/dbraw/zinc/17/36/25/494173625.db2.gz FNDIPJNNDSFPFX-OAQYLSRUSA-N 1 3 369.553 3.340 50 0 FGAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCCCCC2)ccc1OC ZINC000012442196 494233608 /nfs/dbraw/zinc/23/36/08/494233608.db2.gz MJEWKUVKTQENNF-IBGZPJMESA-N 1 3 364.530 3.153 50 0 FGAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)N(C)C)CC2)C1 ZINC000091933363 494727892 /nfs/dbraw/zinc/72/78/92/494727892.db2.gz IECISRBKOKRVCW-HXUWFJFHSA-N 1 3 357.542 3.056 50 0 FGAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)N(C)C)CC2)C1 ZINC000091933363 494727899 /nfs/dbraw/zinc/72/78/99/494727899.db2.gz IECISRBKOKRVCW-HXUWFJFHSA-N 1 3 357.542 3.056 50 0 FGAAHO C[NH+](C)[C@H]1CCCCN(C(=O)CC2CCN(Cc3ccccc3)CC2)C1 ZINC000082107777 522091883 /nfs/dbraw/zinc/09/18/83/522091883.db2.gz DRTSJXMWOMETER-NRFANRHFSA-N 1 3 357.542 3.231 50 0 FGAAHO CC[N@@H+](Cc1cnn(C)c1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012590259 220010938 /nfs/dbraw/zinc/01/09/38/220010938.db2.gz RWLXFYNQGYXZBJ-FQEVSTJZSA-N 1 3 370.541 3.205 50 0 FGAAHO CC[N@H+](Cc1cnn(C)c1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012590259 220010941 /nfs/dbraw/zinc/01/09/41/220010941.db2.gz RWLXFYNQGYXZBJ-FQEVSTJZSA-N 1 3 370.541 3.205 50 0 FGAAHO Cc1ccsc1[C@H](CNc1nc(CC[NH3+])nc2ccccc21)N(C)C ZINC000065495312 221227465 /nfs/dbraw/zinc/22/74/65/221227465.db2.gz SVDKDBCTMCHTRP-INIZCTEOSA-N 1 3 355.511 3.216 50 0 FGAAHO CSCCC[NH+]1CCC2(CCN(Cc3ccc(C)o3)C[C@H]2CO)CC1 ZINC000097713601 222206909 /nfs/dbraw/zinc/20/69/09/222206909.db2.gz DRGVUJGQUFENEP-SFHVURJKSA-N 1 3 366.571 3.238 50 0 FGAAHO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000072154310 494137223 /nfs/dbraw/zinc/13/72/23/494137223.db2.gz JCVRISVLGNUOKM-OAQYLSRUSA-N 1 3 351.498 3.168 50 0 FGAAHO Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000072154310 494137228 /nfs/dbraw/zinc/13/72/28/494137228.db2.gz JCVRISVLGNUOKM-OAQYLSRUSA-N 1 3 351.498 3.168 50 0 FGAAHO c1c[nH]c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000022851502 494538902 /nfs/dbraw/zinc/53/89/02/494538902.db2.gz IAYDREDRMLOKFO-FQEVSTJZSA-N 1 3 373.589 3.352 50 0 FGAAHO c1c[nH]c(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000022851502 494538906 /nfs/dbraw/zinc/53/89/06/494538906.db2.gz IAYDREDRMLOKFO-FQEVSTJZSA-N 1 3 373.589 3.352 50 0 FGAAHO Cc1ccccc1Cn1cc(C[NH2+]CCCNCCO)c2ccccc21 ZINC000248153062 496964655 /nfs/dbraw/zinc/96/46/55/496964655.db2.gz KUQAEQSLRDLEMT-UHFFFAOYSA-N 1 3 351.494 3.060 50 0 FGAAHO Cc1cc(C)c(C[N@H+](C)CCC[C@@H]2CCCO2)cc1CN1CCN(C)CC1 ZINC000215892850 496984402 /nfs/dbraw/zinc/98/44/02/496984402.db2.gz LHQYRNCZDAVMFA-HSZRJFAPSA-N 1 3 373.585 3.442 50 0 FGAAHO Cc1cc(C)c(C[N@@H+](C)CCC[C@@H]2CCCO2)cc1CN1CCN(C)CC1 ZINC000215892850 496984404 /nfs/dbraw/zinc/98/44/04/496984404.db2.gz LHQYRNCZDAVMFA-HSZRJFAPSA-N 1 3 373.585 3.442 50 0 FGAAHO CC[NH+]1CCC2(C[C@H](c3nnc(C)o3)N(CCc3ccccc3)C2)CC1 ZINC000257191356 497388493 /nfs/dbraw/zinc/38/84/93/497388493.db2.gz QCVNYXFBTZZYPG-LJQANCHMSA-N 1 3 354.498 3.470 50 0 FGAAHO COc1ccc(C[NH2+]C(C)C)cc1OC[C@@H](O)CN(C)Cc1ccccc1 ZINC000012597489 220012221 /nfs/dbraw/zinc/01/22/21/220012221.db2.gz YVNXDBKVJVEJEJ-FQEVSTJZSA-N 1 3 372.509 3.065 50 0 FGAAHO O[C@H](COc1cccc(C[NH2+]C2CCC2)c1)CN1CCc2ccccc2C1 ZINC000012713186 220021078 /nfs/dbraw/zinc/02/10/78/220021078.db2.gz MYUKALUHLXZWNZ-QFIPXVFZSA-N 1 3 366.505 3.127 50 0 FGAAHO [NH3+]CCc1cccc(CN2CCC([C@@H](O)CCc3ccccc3)CC2)c1 ZINC000072422536 494169537 /nfs/dbraw/zinc/16/95/37/494169537.db2.gz KNWKVVVZGHCKGF-QHCPKHFHSA-N 1 3 352.522 3.394 50 0 FGAAHO CN(Cc1ccc(CO)o1)CC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000012020874 494200083 /nfs/dbraw/zinc/20/00/83/494200083.db2.gz SASBOEXJKJZWPL-UHFFFAOYSA-N 1 3 360.473 3.298 50 0 FGAAHO CCc1ccc(NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1F ZINC000095946270 494991664 /nfs/dbraw/zinc/99/16/64/494991664.db2.gz LLOAKOPXSSXYSK-UHFFFAOYSA-N 1 3 362.493 3.068 50 0 FGAAHO COc1cccc2c1CC[C@@H]([NH2+]CC1CCN(c3ccncc3)CC1)C2 ZINC000192445089 497117009 /nfs/dbraw/zinc/11/70/09/497117009.db2.gz WCNBLVOJGBCHEA-LJQANCHMSA-N 1 3 351.494 3.454 50 0 FGAAHO CC[N@H+](C)C1(CNC(=O)c2cccc(-c3cc(N)ccn3)c2)CCCC1 ZINC000426734044 500312733 /nfs/dbraw/zinc/31/27/33/500312733.db2.gz POLCYCHHYLAKDG-UHFFFAOYSA-N 1 3 352.482 3.325 50 0 FGAAHO CC[N@@H+](C)C1(CNC(=O)c2cccc(-c3cc(N)ccn3)c2)CCCC1 ZINC000426734044 500312734 /nfs/dbraw/zinc/31/27/34/500312734.db2.gz POLCYCHHYLAKDG-UHFFFAOYSA-N 1 3 352.482 3.325 50 0 FGAAHO c1ccc(Cn2nc(CNCC3CC[NH2+]CC3)c(-c3ccccc3)n2)cc1 ZINC000261491790 534493086 /nfs/dbraw/zinc/49/30/86/534493086.db2.gz JRFJXXYRCDQHMP-UHFFFAOYSA-N 1 3 361.493 3.083 50 0 FGAAHO Cc1ccccc1CCNC(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000020203556 525116457 /nfs/dbraw/zinc/11/64/57/525116457.db2.gz HIJHUCLSBPVEHG-NRFANRHFSA-N 1 3 371.569 3.239 50 0 FGAAHO O[C@@H](COc1ccccc1C[NH2+]C1CCC1)CN1CCc2ccccc2C1 ZINC000012716297 220021023 /nfs/dbraw/zinc/02/10/23/220021023.db2.gz USQUJYMRZNMKMV-JOCHJYFZSA-N 1 3 366.505 3.127 50 0 FGAAHO O=C(CC[NH+]1CCCCCCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000055211624 221061913 /nfs/dbraw/zinc/06/19/13/221061913.db2.gz ZCSGXVKDKRXYFN-UHFFFAOYSA-N 1 3 357.542 3.423 50 0 FGAAHO C[C@H](C1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1)N1CCOCC1 ZINC000072477300 494181658 /nfs/dbraw/zinc/18/16/58/494181658.db2.gz KEGVRFIVEWVZAW-OAHLLOKOSA-N 1 3 354.441 3.221 50 0 FGAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072481233 494182613 /nfs/dbraw/zinc/18/26/13/494182613.db2.gz JTMQZHSNGMICMV-FQEVSTJZSA-N 1 3 357.542 3.116 50 0 FGAAHO CCN(Cc1cncn1C(C)C)CC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000095525258 494987407 /nfs/dbraw/zinc/98/74/07/494987407.db2.gz NRQABQOUIRFIMD-UHFFFAOYSA-N 1 3 361.578 3.092 50 0 FGAAHO Cc1cc(C)c(C[N@H+](C)C2CCSCC2)cc1CN1CCN(C)CC1 ZINC000215573568 496981662 /nfs/dbraw/zinc/98/16/62/496981662.db2.gz ZOPBKJJHSPFBTM-UHFFFAOYSA-N 1 3 361.599 3.378 50 0 FGAAHO Cc1cc(C)c(C[N@@H+](C)C2CCSCC2)cc1CN1CCN(C)CC1 ZINC000215573568 496981665 /nfs/dbraw/zinc/98/16/65/496981665.db2.gz ZOPBKJJHSPFBTM-UHFFFAOYSA-N 1 3 361.599 3.378 50 0 FGAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2ccc(CO)o2)CC1 ZINC000012571281 494243688 /nfs/dbraw/zinc/24/36/88/494243688.db2.gz YJXZNRINSIPGHQ-UHFFFAOYSA-N 1 3 372.509 3.167 50 0 FGAAHO CCn1cc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)cn1 ZINC000012718383 494251532 /nfs/dbraw/zinc/25/15/32/494251532.db2.gz SHMIPALKWNCYJD-UHFFFAOYSA-N 1 3 358.505 3.429 50 0 FGAAHO OC[C@H]1C[N@H+](Cc2ccsc2)CCC12CCN(Cc1cccnc1)CC2 ZINC000097674062 495040996 /nfs/dbraw/zinc/04/09/96/495040996.db2.gz BWAADFQEMKOCTD-HXUWFJFHSA-N 1 3 371.550 3.240 50 0 FGAAHO OC[C@H]1C[N@@H+](Cc2ccsc2)CCC12CCN(Cc1cccnc1)CC2 ZINC000097674062 495040997 /nfs/dbraw/zinc/04/09/97/495040997.db2.gz BWAADFQEMKOCTD-HXUWFJFHSA-N 1 3 371.550 3.240 50 0 FGAAHO Cc1ccc([C@H](CNC(=O)N(C)CC[N@H+](C)C2CCCC2)N(C)C)cc1 ZINC000534639234 504198325 /nfs/dbraw/zinc/19/83/25/504198325.db2.gz REQXSFWEBYKDAV-FQEVSTJZSA-N 1 3 360.546 3.114 50 0 FGAAHO Cc1ccc([C@H](CNC(=O)N(C)CC[N@@H+](C)C2CCCC2)N(C)C)cc1 ZINC000534639234 504198332 /nfs/dbraw/zinc/19/83/32/504198332.db2.gz REQXSFWEBYKDAV-FQEVSTJZSA-N 1 3 360.546 3.114 50 0 FGAAHO Cc1ccccc1CCNC(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000020203553 525113017 /nfs/dbraw/zinc/11/30/17/525113017.db2.gz HIJHUCLSBPVEHG-OAQYLSRUSA-N 1 3 371.569 3.239 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269268330 525414574 /nfs/dbraw/zinc/41/45/74/525414574.db2.gz QRWVCWFJLBDUPE-STZQEDGTSA-N 1 3 365.521 3.068 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269268330 525414585 /nfs/dbraw/zinc/41/45/85/525414585.db2.gz QRWVCWFJLBDUPE-STZQEDGTSA-N 1 3 365.521 3.068 50 0 FGAAHO CN(CCCNC(=O)Cc1ccccc1)CCC[N@H+](C)Cc1ccccc1 ZINC000004723165 204157600 /nfs/dbraw/zinc/15/76/00/204157600.db2.gz SBLDTGXGMGUVCD-UHFFFAOYSA-N 1 3 367.537 3.189 50 0 FGAAHO CN(CCCNC(=O)Cc1ccccc1)CCC[N@@H+](C)Cc1ccccc1 ZINC000004723165 204157603 /nfs/dbraw/zinc/15/76/03/204157603.db2.gz SBLDTGXGMGUVCD-UHFFFAOYSA-N 1 3 367.537 3.189 50 0 FGAAHO c1c[nH]c(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000022851504 494538409 /nfs/dbraw/zinc/53/84/09/494538409.db2.gz IAYDREDRMLOKFO-HXUWFJFHSA-N 1 3 373.589 3.352 50 0 FGAAHO c1c[nH]c(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000022851504 494538414 /nfs/dbraw/zinc/53/84/14/494538414.db2.gz IAYDREDRMLOKFO-HXUWFJFHSA-N 1 3 373.589 3.352 50 0 FGAAHO CCC[NH+]1CCC(CCC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095504578 494982458 /nfs/dbraw/zinc/98/24/58/494982458.db2.gz FEAFSMLRNWZGAT-OAQYLSRUSA-N 1 3 357.542 3.279 50 0 FGAAHO OC[C@@H]1C[N@H+](Cc2ccsc2)CCC12CCN(Cc1cccnc1)CC2 ZINC000097674063 495041066 /nfs/dbraw/zinc/04/10/66/495041066.db2.gz BWAADFQEMKOCTD-FQEVSTJZSA-N 1 3 371.550 3.240 50 0 FGAAHO OC[C@@H]1C[N@@H+](Cc2ccsc2)CCC12CCN(Cc1cccnc1)CC2 ZINC000097674063 495041068 /nfs/dbraw/zinc/04/10/68/495041068.db2.gz BWAADFQEMKOCTD-FQEVSTJZSA-N 1 3 371.550 3.240 50 0 FGAAHO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1CN1CCCC1 ZINC000097784705 495045476 /nfs/dbraw/zinc/04/54/76/495045476.db2.gz KEMHTXCFSRNJKB-UNMCSNQZSA-N 1 3 358.526 3.418 50 0 FGAAHO COc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1CN1CCCC1 ZINC000097784705 495045480 /nfs/dbraw/zinc/04/54/80/495045480.db2.gz KEMHTXCFSRNJKB-UNMCSNQZSA-N 1 3 358.526 3.418 50 0 FGAAHO CN(C)CCOc1cccc(CN2CCC[N@@H+](C3CCCCC3)CC2)c1 ZINC000215244344 496979271 /nfs/dbraw/zinc/97/92/71/496979271.db2.gz RCUZLKDDBJYNPY-UHFFFAOYSA-N 1 3 359.558 3.467 50 0 FGAAHO CN(C)CCOc1cccc(CN2CCC[N@H+](C3CCCCC3)CC2)c1 ZINC000215244344 496979275 /nfs/dbraw/zinc/97/92/75/496979275.db2.gz RCUZLKDDBJYNPY-UHFFFAOYSA-N 1 3 359.558 3.467 50 0 FGAAHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000039748186 205047347 /nfs/dbraw/zinc/04/73/47/205047347.db2.gz UWEVVMJQXYZQES-WOJBJXKFSA-N 1 3 371.569 3.383 50 0 FGAAHO O=C(C1CC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014965662 205282000 /nfs/dbraw/zinc/28/20/00/205282000.db2.gz AQKRTEXOSLZYGA-LJQANCHMSA-N 1 3 361.574 3.366 50 0 FGAAHO O=C(C1CC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014965662 205282005 /nfs/dbraw/zinc/28/20/05/205282005.db2.gz AQKRTEXOSLZYGA-LJQANCHMSA-N 1 3 361.574 3.366 50 0 FGAAHO CC(C)Cc1ncc2c(n1)CN(C(=O)C1CC[NH+](Cc3ccco3)CC1)C2 ZINC000095392333 205751712 /nfs/dbraw/zinc/75/17/12/205751712.db2.gz RLKRWBAOTMGYIU-UHFFFAOYSA-N 1 3 368.481 3.023 50 0 FGAAHO CN(c1ccccc1CN1CC[C@H](C(C)(C)C)[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000108173820 206314932 /nfs/dbraw/zinc/31/49/32/206314932.db2.gz CDMQXQFNHHKSMT-RBBKRZOGSA-N 1 3 373.585 3.446 50 0 FGAAHO CN(Cc1cnn(C)c1)CC1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000015077395 494337869 /nfs/dbraw/zinc/33/78/69/494337869.db2.gz BODYIAYNALLDIX-UHFFFAOYSA-N 1 3 360.933 3.460 50 0 FGAAHO CN1CC2(CCC1=O)CC[NH+](Cc1cc(CN3CCCC3)cs1)CC2 ZINC000091644482 494636527 /nfs/dbraw/zinc/63/65/27/494636527.db2.gz SJYYWUKEOUWREO-UHFFFAOYSA-N 1 3 361.555 3.178 50 0 FGAAHO O=C(CN1CCCCCCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091726187 494659286 /nfs/dbraw/zinc/65/92/86/494659286.db2.gz QFLOWSVSTSJWAE-FGZHOGPDSA-N 1 3 369.553 3.376 50 0 FGAAHO O=C(CN1CCCCCCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091726187 494659293 /nfs/dbraw/zinc/65/92/93/494659293.db2.gz QFLOWSVSTSJWAE-FGZHOGPDSA-N 1 3 369.553 3.376 50 0 FGAAHO COc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)cc1CN1CCCC1 ZINC000091872386 494711454 /nfs/dbraw/zinc/71/14/54/494711454.db2.gz YADRTFQCAMABAJ-VGSWGCGISA-N 1 3 358.526 3.274 50 0 FGAAHO COc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)cc1CN1CCCC1 ZINC000091872386 494711458 /nfs/dbraw/zinc/71/14/58/494711458.db2.gz YADRTFQCAMABAJ-VGSWGCGISA-N 1 3 358.526 3.274 50 0 FGAAHO CN(C)Cc1ccc(CN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095391652 494972743 /nfs/dbraw/zinc/97/27/43/494972743.db2.gz HCONSQDTULWBJY-JOCHJYFZSA-N 1 3 365.521 3.487 50 0 FGAAHO Nc1ccncc1-c1cccc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000426490543 500279531 /nfs/dbraw/zinc/27/95/31/500279531.db2.gz QVDUNHPWPCIIEJ-INIZCTEOSA-N 1 3 364.493 3.155 50 0 FGAAHO Nc1ccncc1-c1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000426490543 500279532 /nfs/dbraw/zinc/27/95/32/500279532.db2.gz QVDUNHPWPCIIEJ-INIZCTEOSA-N 1 3 364.493 3.155 50 0 FGAAHO CC(C)[NH+]1CCC(N(CCN(C)C)C(=S)Nc2cccc(F)c2)CC1 ZINC000003025995 204073994 /nfs/dbraw/zinc/07/39/94/204073994.db2.gz BDGGFSNAEQUAPK-UHFFFAOYSA-N 1 3 366.550 3.259 50 0 FGAAHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000299738417 205115667 /nfs/dbraw/zinc/11/56/67/205115667.db2.gz ANFYHIWDKXFVFN-STZQEDGTSA-N 1 3 365.521 3.446 50 0 FGAAHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C[C@@H](N)c1ccccc1 ZINC000299738417 205115670 /nfs/dbraw/zinc/11/56/70/205115670.db2.gz ANFYHIWDKXFVFN-STZQEDGTSA-N 1 3 365.521 3.446 50 0 FGAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2cccnc2)CC1 ZINC000067821754 205394307 /nfs/dbraw/zinc/39/43/07/205394307.db2.gz OJJKJYMFXKLALD-UHFFFAOYSA-N 1 3 353.510 3.477 50 0 FGAAHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1OCC(F)(F)F ZINC000237463781 206105911 /nfs/dbraw/zinc/10/59/11/206105911.db2.gz JBRRVZIPUHNRBN-CQSZACIVSA-N 1 3 358.404 3.210 50 0 FGAAHO CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000058172682 206395023 /nfs/dbraw/zinc/39/50/23/206395023.db2.gz JREZLPZBOCDAOA-IBGZPJMESA-N 1 3 374.573 3.448 50 0 FGAAHO CCCCN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072429410 494172958 /nfs/dbraw/zinc/17/29/58/494172958.db2.gz HNJVSIQNMDMZAL-IBGZPJMESA-N 1 3 361.505 3.028 50 0 FGAAHO CN1CC2(CCN(CC(C)(C)C[NH+](C)C)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091441445 494601809 /nfs/dbraw/zinc/60/18/09/494601809.db2.gz WSFXIJCDTTYWOF-FQEVSTJZSA-N 1 3 371.569 3.302 50 0 FGAAHO CCn1ccc2ccc(C[N@@H+]3C[C@H](CO)[C@H](CN4CCCCC4)C3)cc21 ZINC000091417075 523496304 /nfs/dbraw/zinc/49/63/04/523496304.db2.gz LDZLFTCDEYIERZ-NHCUHLMSSA-N 1 3 355.526 3.187 50 0 FGAAHO CCn1ccc2ccc(C[N@H+]3C[C@H](CO)[C@H](CN4CCCCC4)C3)cc21 ZINC000091417075 523496313 /nfs/dbraw/zinc/49/63/13/523496313.db2.gz LDZLFTCDEYIERZ-NHCUHLMSSA-N 1 3 355.526 3.187 50 0 FGAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccc(C)c(C)c1)CC[NH+](C)CC2 ZINC000072481232 494182850 /nfs/dbraw/zinc/18/28/50/494182850.db2.gz JTMQZHSNGMICMV-HXUWFJFHSA-N 1 3 357.542 3.116 50 0 FGAAHO CCCC[NH2+]Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000020906151 520691890 /nfs/dbraw/zinc/69/18/90/520691890.db2.gz UDNGYFMMSDPYQK-NRFANRHFSA-N 1 3 356.510 3.448 50 0 FGAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@H+](C)CCc2ccccn2)c1 ZINC000215583817 206347976 /nfs/dbraw/zinc/34/79/76/206347976.db2.gz ZHOJNFNTHKXHRI-UHFFFAOYSA-N 1 3 366.553 3.120 50 0 FGAAHO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@@H+](C)CCc2ccccn2)c1 ZINC000215583817 206347979 /nfs/dbraw/zinc/34/79/79/206347979.db2.gz ZHOJNFNTHKXHRI-UHFFFAOYSA-N 1 3 366.553 3.120 50 0 FGAAHO Cc1c[nH+]ccc1N1CCCN(Cc2ccccc2Cn2cccn2)CC1 ZINC000077458096 494087275 /nfs/dbraw/zinc/08/72/75/494087275.db2.gz KHLQSQKQDCRJOZ-UHFFFAOYSA-N 1 3 361.493 3.347 50 0 FGAAHO Cc1cc(N2CCCN(C[C@@]3(c4cccc(F)c4)CCOC3)CC2)cc[nH+]1 ZINC000020916114 494482576 /nfs/dbraw/zinc/48/25/76/494482576.db2.gz VUZAJPYDOOVIAX-QFIPXVFZSA-N 1 3 369.484 3.400 50 0 FGAAHO CN1CC[C@H](N2CC3(CCC2=O)CC[NH+](CCCc2ccccc2)CC3)C1 ZINC000091707486 494655032 /nfs/dbraw/zinc/65/50/32/494655032.db2.gz XYHXUJOBDTYZSA-NRFANRHFSA-N 1 3 369.553 3.028 50 0 FGAAHO CCc1ccc(C[NH+]2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)cc1 ZINC000092020544 494758073 /nfs/dbraw/zinc/75/80/73/494758073.db2.gz AKDLLPBUQGCTHN-NRFANRHFSA-N 1 3 369.553 3.158 50 0 FGAAHO CN(C)[C@H](CNC(=O)NCCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000097337195 495032836 /nfs/dbraw/zinc/03/28/36/495032836.db2.gz SRFHETVTVBRRMM-HXUWFJFHSA-N 1 3 360.546 3.243 50 0 FGAAHO CN(C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000097337195 495032838 /nfs/dbraw/zinc/03/28/38/495032838.db2.gz SRFHETVTVBRRMM-HXUWFJFHSA-N 1 3 360.546 3.243 50 0 FGAAHO CN(C)Cc1csc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)c1 ZINC000215590382 206347521 /nfs/dbraw/zinc/34/75/21/206347521.db2.gz YNJLESZYXXSXOR-UHFFFAOYSA-N 1 3 369.578 3.485 50 0 FGAAHO CN(C)Cc1csc(CN2CCC[N@H+](C3Cc4ccccc4C3)CC2)c1 ZINC000215590382 206347524 /nfs/dbraw/zinc/34/75/24/206347524.db2.gz YNJLESZYXXSXOR-UHFFFAOYSA-N 1 3 369.578 3.485 50 0 FGAAHO CSCC[NH2+]Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000011948668 494198290 /nfs/dbraw/zinc/19/82/90/494198290.db2.gz RHAPWTXUSWXLDV-HXUWFJFHSA-N 1 3 374.550 3.011 50 0 FGAAHO CCN1CCN(c2ccc(NC(=O)C[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000012534385 494239679 /nfs/dbraw/zinc/23/96/79/494239679.db2.gz NVLNBDUAQYQYPW-UHFFFAOYSA-N 1 3 358.530 3.032 50 0 FGAAHO CCN1CCN(c2ccc(NC(=O)C[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000012534385 494239681 /nfs/dbraw/zinc/23/96/81/494239681.db2.gz NVLNBDUAQYQYPW-UHFFFAOYSA-N 1 3 358.530 3.032 50 0 FGAAHO CC[N@@H+](Cc1cnn(C)c1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012590268 494245439 /nfs/dbraw/zinc/24/54/39/494245439.db2.gz RWLXFYNQGYXZBJ-HXUWFJFHSA-N 1 3 370.541 3.205 50 0 FGAAHO CC[N@H+](Cc1cnn(C)c1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012590268 494245443 /nfs/dbraw/zinc/24/54/43/494245443.db2.gz RWLXFYNQGYXZBJ-HXUWFJFHSA-N 1 3 370.541 3.205 50 0 FGAAHO CCCC[NH2+]Cc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000020906153 494482616 /nfs/dbraw/zinc/48/26/16/494482616.db2.gz UDNGYFMMSDPYQK-OAQYLSRUSA-N 1 3 356.510 3.448 50 0 FGAAHO c1sc(CN2CCN(C3CCSCC3)CC2)cc1C[NH+]1CCCC1 ZINC000216522569 526632057 /nfs/dbraw/zinc/63/20/57/526632057.db2.gz XPZWKADNTHWBRQ-UHFFFAOYSA-N 1 3 365.612 3.357 50 0 FGAAHO CCCCN1C[C@@]2(CCCN(Cc3ccc(CC[NH3+])cc3)C2)CCC1=O ZINC000077285833 494048856 /nfs/dbraw/zinc/04/88/56/494048856.db2.gz SQAOATJCVOHZBA-QFIPXVFZSA-N 1 3 357.542 3.193 50 0 FGAAHO CCC[C@@H](C)N1CC2(CCN(Cc3cccc(CC[NH3+])c3)CC2)OC1=O ZINC000072463623 494177244 /nfs/dbraw/zinc/17/72/44/494177244.db2.gz XJWWZVGDDVKPEM-QGZVFWFLSA-N 1 3 359.514 3.163 50 0 FGAAHO C[C@H](C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1)N1CCOCC1 ZINC000072479883 494182245 /nfs/dbraw/zinc/18/22/45/494182245.db2.gz JBLLMZTWNKCBHX-OAHLLOKOSA-N 1 3 354.441 3.221 50 0 FGAAHO Cn1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000012300691 494220134 /nfs/dbraw/zinc/22/01/34/494220134.db2.gz LPHQTRGGABHAPK-NRFANRHFSA-N 1 3 360.546 3.056 50 0 FGAAHO CSCCNCc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000015071229 494336709 /nfs/dbraw/zinc/33/67/09/494336709.db2.gz DHNFTGIDTFNUEM-LJQANCHMSA-N 1 3 366.571 3.143 50 0 FGAAHO CSCCNCc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000015071229 494336712 /nfs/dbraw/zinc/33/67/12/494336712.db2.gz DHNFTGIDTFNUEM-LJQANCHMSA-N 1 3 366.571 3.143 50 0 FGAAHO CN(C)Cc1ccc(CN(C)C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)cc1 ZINC000095391653 494973172 /nfs/dbraw/zinc/97/31/72/494973172.db2.gz HCONSQDTULWBJY-QFIPXVFZSA-N 1 3 365.521 3.487 50 0 FGAAHO CN(c1ccccc1CN1CC[C@@H](C(C)(C)C)[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000239722567 523653859 /nfs/dbraw/zinc/65/38/59/523653859.db2.gz CDMQXQFNHHKSMT-IFMALSPDSA-N 1 3 373.585 3.446 50 0 FGAAHO C[N@@H+]1CCC[C@@H]1CCOc1cc(-c2cccnc2)cc2c1OCCNC2 ZINC000299785416 523823671 /nfs/dbraw/zinc/82/36/71/523823671.db2.gz ZFVFJIUMXGZNDX-LJQANCHMSA-N 1 3 353.466 3.094 50 0 FGAAHO C[N@H+]1CCC[C@@H]1CCOc1cc(-c2cccnc2)cc2c1OCCNC2 ZINC000299785416 523823674 /nfs/dbraw/zinc/82/36/74/523823674.db2.gz ZFVFJIUMXGZNDX-LJQANCHMSA-N 1 3 353.466 3.094 50 0 FGAAHO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(CCC(=O)NC(C)C)C3)C2)c1 ZINC000426399236 571219970 /nfs/dbraw/zinc/21/99/70/571219970.db2.gz OLXWAGHMSLCSQN-JOCHJYFZSA-N 1 3 357.542 3.198 50 0 FGAAHO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CCC(=O)NC(C)C)C3)C2)c1 ZINC000426399236 571219972 /nfs/dbraw/zinc/21/99/72/571219972.db2.gz OLXWAGHMSLCSQN-JOCHJYFZSA-N 1 3 357.542 3.198 50 0 FGAAHO COc1ccc(CNCc2ccccc2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012442337 207379290 /nfs/dbraw/zinc/37/92/90/207379290.db2.gz KYQJFXJNWVOROW-HXUWFJFHSA-N 1 3 372.509 3.065 50 0 FGAAHO COc1ccc(CNCc2ccccc2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012442337 207379298 /nfs/dbraw/zinc/37/92/98/207379298.db2.gz KYQJFXJNWVOROW-HXUWFJFHSA-N 1 3 372.509 3.065 50 0 FGAAHO CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc1OC ZINC000068722534 208054292 /nfs/dbraw/zinc/05/42/92/208054292.db2.gz QTKZEOJNPLGXKA-ZDUSSCGKSA-N 1 3 371.319 3.288 50 0 FGAAHO CC[N@H+](CCC1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)CC(C)C ZINC000095459571 209053781 /nfs/dbraw/zinc/05/37/81/209053781.db2.gz JITJUZMWLTYJAX-IBGZPJMESA-N 1 3 351.579 3.467 50 0 FGAAHO CC[N@@H+](CCC1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)CC(C)C ZINC000095459571 209053785 /nfs/dbraw/zinc/05/37/85/209053785.db2.gz JITJUZMWLTYJAX-IBGZPJMESA-N 1 3 351.579 3.467 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000095997182 132216668 /nfs/dbraw/zinc/21/66/68/132216668.db2.gz XQQMZTSZVJXSAC-PZJWPPBQSA-N 1 3 359.558 3.057 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000095997182 132216669 /nfs/dbraw/zinc/21/66/69/132216669.db2.gz XQQMZTSZVJXSAC-PZJWPPBQSA-N 1 3 359.558 3.057 50 0 FGAAHO CCCN1CC2(C[C@H]1C(=O)NC1(Cc3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072431329 494172379 /nfs/dbraw/zinc/17/23/79/494172379.db2.gz ZIKSFAPYAOLCFI-FQEVSTJZSA-N 1 3 369.553 3.074 50 0 FGAAHO CCc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](CCOC)CC2)o1 ZINC000012760868 494255030 /nfs/dbraw/zinc/25/50/30/494255030.db2.gz XIMZKQHTNMRNBA-HXUWFJFHSA-N 1 3 364.530 3.181 50 0 FGAAHO CCCOc1c(CNCC2CC[NH2+]CC2)cc(Br)cc1OC ZINC000020968346 520293086 /nfs/dbraw/zinc/29/30/86/520293086.db2.gz PNAAWUCYQYGOEZ-UHFFFAOYSA-N 1 3 371.319 3.336 50 0 FGAAHO Cc1ccc(C[N@@H+]2CCC3(CCN(Cc4ccccn4)CC3)[C@@H](CO)C2)o1 ZINC000097547518 209185939 /nfs/dbraw/zinc/18/59/39/209185939.db2.gz LHAGACCTTHVMLY-LJQANCHMSA-N 1 3 369.509 3.080 50 0 FGAAHO Cc1ccc(C[N@H+]2CCC3(CCN(Cc4ccccn4)CC3)[C@@H](CO)C2)o1 ZINC000097547518 209185942 /nfs/dbraw/zinc/18/59/42/209185942.db2.gz LHAGACCTTHVMLY-LJQANCHMSA-N 1 3 369.509 3.080 50 0 FGAAHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000097301439 209177173 /nfs/dbraw/zinc/17/71/73/209177173.db2.gz SPJITVNRHAMNTG-QFIPXVFZSA-N 1 3 365.521 3.358 50 0 FGAAHO CCOc1cc(C[NH2+]CCCN(C)C)cc(Br)c1OCC ZINC000008253820 207226420 /nfs/dbraw/zinc/22/64/20/207226420.db2.gz ODTSZFXOBDSMJF-UHFFFAOYSA-N 1 3 359.308 3.288 50 0 FGAAHO CC1CC[NH+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000044913997 208322652 /nfs/dbraw/zinc/32/26/52/208322652.db2.gz IYOIVTPBEZMFOH-UHFFFAOYSA-N 1 3 357.542 3.137 50 0 FGAAHO CN1CC[C@@H](N2CC3(CCC2=O)CC[NH+](C/C=C/c2ccccc2)CC3)C1 ZINC000091915097 209004873 /nfs/dbraw/zinc/00/48/73/209004873.db2.gz ALLAMSZKNSYPNC-WKOQKXSESA-N 1 3 367.537 3.109 50 0 FGAAHO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000072154309 494137425 /nfs/dbraw/zinc/13/74/25/494137425.db2.gz JCVRISVLGNUOKM-NRFANRHFSA-N 1 3 351.498 3.168 50 0 FGAAHO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cc(C)nc(N)n4)C3)C2)c1 ZINC000072154309 494137428 /nfs/dbraw/zinc/13/74/28/494137428.db2.gz JCVRISVLGNUOKM-NRFANRHFSA-N 1 3 351.498 3.168 50 0 FGAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000012718433 494252055 /nfs/dbraw/zinc/25/20/55/494252055.db2.gz NLYHVQKSWKOWJL-OAQYLSRUSA-N 1 3 359.558 3.274 50 0 FGAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000012718433 494252059 /nfs/dbraw/zinc/25/20/59/494252059.db2.gz NLYHVQKSWKOWJL-OAQYLSRUSA-N 1 3 359.558 3.274 50 0 FGAAHO CCCCNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(CCc2ccccc2)C1 ZINC000014533798 494319784 /nfs/dbraw/zinc/31/97/84/494319784.db2.gz ATERLUVFIOKGHZ-FGZHOGPDSA-N 1 3 371.569 3.179 50 0 FGAAHO CC[NH+](CC)CCNC(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000584904477 507565177 /nfs/dbraw/zinc/56/51/77/507565177.db2.gz KVPQBAVSISPCMD-HTXNQAPBSA-N 1 3 357.542 3.260 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000269253259 525245264 /nfs/dbraw/zinc/24/52/64/525245264.db2.gz IIXNMFJKPWAWEP-BVYCBKJFSA-N 1 3 365.521 3.240 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000269253259 525245271 /nfs/dbraw/zinc/24/52/71/525245271.db2.gz IIXNMFJKPWAWEP-BVYCBKJFSA-N 1 3 365.521 3.240 50 0 FGAAHO C[C@H](C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1)[NH+]1CCCC1 ZINC000072474636 526217154 /nfs/dbraw/zinc/21/71/54/526217154.db2.gz QETQHUMIYRFDFT-HXUWFJFHSA-N 1 3 371.569 3.215 50 0 FGAAHO Cc1ccc2c(cc(C[NH+]3CCC([C@H](C)N4CCOCC4)CC3)n2C)c1 ZINC000072409260 208850229 /nfs/dbraw/zinc/85/02/29/208850229.db2.gz HDEQJDFIIHELEG-SFHVURJKSA-N 1 3 355.526 3.419 50 0 FGAAHO Cc1cc(CNC[C@H](C)n2cncn2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000055197052 494312916 /nfs/dbraw/zinc/31/29/16/494312916.db2.gz JVASELVVVIEWGI-SFHVURJKSA-N 1 3 355.530 3.478 50 0 FGAAHO CN1CC2(CCN(CC(C)(C)C[NH+](C)C)CC2)C[C@H](c2ccccc2)C1=O ZINC000091441444 494601648 /nfs/dbraw/zinc/60/16/48/494601648.db2.gz WSFXIJCDTTYWOF-HXUWFJFHSA-N 1 3 371.569 3.302 50 0 FGAAHO Cc1noc([C@@]23CN(CC(C)C)C[C@@H]2CC[N@H+](CCc2ccccc2)C3)n1 ZINC000257197390 497389339 /nfs/dbraw/zinc/38/93/39/497389339.db2.gz ZZEXAAQXAKCSOI-UNMCSNQZSA-N 1 3 368.525 3.152 50 0 FGAAHO Cc1noc([C@@]23CN(CC(C)C)C[C@@H]2CC[N@@H+](CCc2ccccc2)C3)n1 ZINC000257197390 497389342 /nfs/dbraw/zinc/38/93/42/497389342.db2.gz ZZEXAAQXAKCSOI-UNMCSNQZSA-N 1 3 368.525 3.152 50 0 FGAAHO C[NH+](C)CC[C@@H](NC(=O)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000584889094 507556903 /nfs/dbraw/zinc/55/69/03/507556903.db2.gz MXFKVFUDXOLMBI-OAQYLSRUSA-N 1 3 372.557 3.339 50 0 FGAAHO CCN(C)Cc1ccc(OC)cc1OC[C@H](O)C[NH+]1CCCCCCC1 ZINC000039541477 208210765 /nfs/dbraw/zinc/21/07/65/208210765.db2.gz ULQNBBNTSGDNDV-LJQANCHMSA-N 1 3 364.530 3.153 50 0 FGAAHO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000039748185 208213962 /nfs/dbraw/zinc/21/39/62/208213962.db2.gz UWEVVMJQXYZQES-PMACEKPBSA-N 1 3 371.569 3.383 50 0 FGAAHO OCCNCCC[NH2+]Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000040720808 208263903 /nfs/dbraw/zinc/26/39/03/208263903.db2.gz FTYZWPVKRVBWNY-UHFFFAOYSA-N 1 3 366.864 3.120 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000222209231 132276653 /nfs/dbraw/zinc/27/66/53/132276653.db2.gz XQQMZTSZVJXSAC-CTNGQTDRSA-N 1 3 359.558 3.057 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000222209231 132276655 /nfs/dbraw/zinc/27/66/55/132276655.db2.gz XQQMZTSZVJXSAC-CTNGQTDRSA-N 1 3 359.558 3.057 50 0 FGAAHO Cc1c2ccccc2sc1C[NH+]1CCN(c2cc(C)nc(N)n2)CC1 ZINC000065409337 136136366 /nfs/dbraw/zinc/13/63/66/136136366.db2.gz PTKYFNRDCWGNNZ-UHFFFAOYSA-N 1 3 353.495 3.213 50 0 FGAAHO Cc1c2ccccc2sc1CN1CCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000065409337 136136367 /nfs/dbraw/zinc/13/63/67/136136367.db2.gz PTKYFNRDCWGNNZ-UHFFFAOYSA-N 1 3 353.495 3.213 50 0 FGAAHO Cc1cc(NCCNC(=O)C2=CC(C)(C)[NH2+]C2(C)C)c2cccc(C)c2n1 ZINC000002191383 493802511 /nfs/dbraw/zinc/80/25/11/493802511.db2.gz AHARBRSCZMNRJF-UHFFFAOYSA-N 1 3 366.509 3.467 50 0 FGAAHO CCC[NH+]1CCC(N2CCC[C@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000002734981 493817505 /nfs/dbraw/zinc/81/75/05/493817505.db2.gz DMDAXVZIVOSGBM-NRFANRHFSA-N 1 3 369.553 3.158 50 0 FGAAHO O=C(c1ccc(C[C@@H]2CCC[NH2+]C2)cc1)N1CCCN(C2CCCC2)CC1 ZINC000077341753 494061833 /nfs/dbraw/zinc/06/18/33/494061833.db2.gz SCNYYUVZLFQXKB-FQEVSTJZSA-N 1 3 369.553 3.319 50 0 FGAAHO CCC[C@H](C)N1CC2(CCN(Cc3cccc(CC[NH3+])c3)CC2)OC1=O ZINC000072463624 494177663 /nfs/dbraw/zinc/17/76/63/494177663.db2.gz XJWWZVGDDVKPEM-KRWDZBQOSA-N 1 3 359.514 3.163 50 0 FGAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)NC3CC3)CC2)C1 ZINC000091663669 494638677 /nfs/dbraw/zinc/63/86/77/494638677.db2.gz NHBKAHKWJNZLRE-FQEVSTJZSA-N 1 3 369.553 3.247 50 0 FGAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)NC3CC3)CC2)C1 ZINC000091663669 494638682 /nfs/dbraw/zinc/63/86/82/494638682.db2.gz NHBKAHKWJNZLRE-FQEVSTJZSA-N 1 3 369.553 3.247 50 0 FGAAHO O=C(NCCC[NH2+][C@@H]1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000108177420 494658850 /nfs/dbraw/zinc/65/88/50/494658850.db2.gz BZJOJWPXUHIIQF-BHIFYINESA-N 1 3 369.553 3.183 50 0 FGAAHO CN(C)CC[N@H+](C)[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998067 521748715 /nfs/dbraw/zinc/74/87/15/521748715.db2.gz AWRCQVUQGVZQIS-SFHVURJKSA-N 1 3 358.555 3.268 50 0 FGAAHO CN(C)CC[N@@H+](C)[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998067 521748719 /nfs/dbraw/zinc/74/87/19/521748719.db2.gz AWRCQVUQGVZQIS-SFHVURJKSA-N 1 3 358.555 3.268 50 0 FGAAHO CN(CC[NH+](C)C)[C@H]1CCCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000020998067 521748721 /nfs/dbraw/zinc/74/87/21/521748721.db2.gz AWRCQVUQGVZQIS-SFHVURJKSA-N 1 3 358.555 3.268 50 0 FGAAHO C[C@@H](C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1)[NH+]1CCCC1 ZINC000072474635 524337613 /nfs/dbraw/zinc/33/76/13/524337613.db2.gz QETQHUMIYRFDFT-FQEVSTJZSA-N 1 3 371.569 3.215 50 0 FGAAHO CCN1CCN(CCOc2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000216072082 568104003 /nfs/dbraw/zinc/10/40/03/568104003.db2.gz MMRRXWLWXDCJEZ-UHFFFAOYSA-N 1 3 359.558 3.325 50 0 FGAAHO c1sc(CN2CCN(C3CCOCC3)CC2)cc1C[NH+]1CCCCC1 ZINC000097436996 209181069 /nfs/dbraw/zinc/18/10/69/209181069.db2.gz JYRVHHUAIZMRTQ-UHFFFAOYSA-N 1 3 363.571 3.031 50 0 FGAAHO CSCC[NH2+]Cc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000011948660 207331532 /nfs/dbraw/zinc/33/15/32/207331532.db2.gz RHAPWTXUSWXLDV-FQEVSTJZSA-N 1 3 374.550 3.011 50 0 FGAAHO CCC[NH+]1CCC(N2CCC[C@@H](C(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000002734979 493817467 /nfs/dbraw/zinc/81/74/67/493817467.db2.gz DMDAXVZIVOSGBM-OAQYLSRUSA-N 1 3 369.553 3.158 50 0 FGAAHO c1ccc(CNc2ncc(CN3CCC4(CC[NH2+]CC4)CC3)cn2)cc1 ZINC000072170049 494143416 /nfs/dbraw/zinc/14/34/16/494143416.db2.gz OHBLEAOKNQNXFV-UHFFFAOYSA-N 1 3 351.498 3.054 50 0 FGAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000012718434 494251786 /nfs/dbraw/zinc/25/17/86/494251786.db2.gz NLYHVQKSWKOWJL-NRFANRHFSA-N 1 3 359.558 3.274 50 0 FGAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 ZINC000012718434 494251790 /nfs/dbraw/zinc/25/17/90/494251790.db2.gz NLYHVQKSWKOWJL-NRFANRHFSA-N 1 3 359.558 3.274 50 0 FGAAHO Cc1cc(CN2CCC(=O)N(C)CC2)c(C)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000215613744 496982325 /nfs/dbraw/zinc/98/23/25/496982325.db2.gz QDWAFXSNQBAUEN-GOSISDBHSA-N 1 3 357.542 3.342 50 0 FGAAHO Cc1cc(CN2CCC(=O)N(C)CC2)c(C)c(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000215613744 496982332 /nfs/dbraw/zinc/98/23/32/496982332.db2.gz QDWAFXSNQBAUEN-GOSISDBHSA-N 1 3 357.542 3.342 50 0 FGAAHO Cc1cc(N2CCCN(CCC(=O)N[C@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000244763939 525066223 /nfs/dbraw/zinc/06/62/23/525066223.db2.gz OYDNQXCOZYAGNN-LJQANCHMSA-N 1 3 366.509 3.170 50 0 FGAAHO C[C@@H](C1CC[NH+](Cc2cccc(OC(F)F)c2)CC1)N1CCOCC1 ZINC000072479882 208874917 /nfs/dbraw/zinc/87/49/17/208874917.db2.gz JBLLMZTWNKCBHX-HNNXBMFYSA-N 1 3 354.441 3.221 50 0 FGAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000091858303 209000492 /nfs/dbraw/zinc/00/04/92/209000492.db2.gz WFFYXZHKBIWIMV-OAQYLSRUSA-N 1 3 369.553 3.200 50 0 FGAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000091858303 209000496 /nfs/dbraw/zinc/00/04/96/209000496.db2.gz WFFYXZHKBIWIMV-OAQYLSRUSA-N 1 3 369.553 3.200 50 0 FGAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000071440142 494092991 /nfs/dbraw/zinc/09/29/91/494092991.db2.gz NATMBGZQGDWRCD-HXUWFJFHSA-N 1 3 357.542 3.230 50 0 FGAAHO COCC[NH+]1CCC(CN(Cc2ccccc2F)C[C@H]2CCCO2)CC1 ZINC000015064150 494336809 /nfs/dbraw/zinc/33/68/09/494336809.db2.gz FSULDBKGJLDYSX-HXUWFJFHSA-N 1 3 364.505 3.165 50 0 FGAAHO C[C@H](C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)N(C)C1CCCCC1 ZINC000223500011 497038925 /nfs/dbraw/zinc/03/89/25/497038925.db2.gz ROUYWYCXACLTGV-LJQANCHMSA-N 1 3 371.569 3.419 50 0 FGAAHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CCCCCCC1 ZINC000243893575 497361774 /nfs/dbraw/zinc/36/17/74/497361774.db2.gz ASMBZXBHYWKCGV-NRFANRHFSA-N 1 3 357.542 3.233 50 0 FGAAHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN1CCCCCCC1 ZINC000243893575 497361778 /nfs/dbraw/zinc/36/17/78/497361778.db2.gz ASMBZXBHYWKCGV-NRFANRHFSA-N 1 3 357.542 3.233 50 0 FGAAHO CCC[N@@H+]1CCCn2nc(CNC3CCN(c4ccccc4)CC3)cc2C1 ZINC000082108887 519855558 /nfs/dbraw/zinc/85/55/58/519855558.db2.gz KROQQRAYXNBXEM-UHFFFAOYSA-N 1 3 367.541 3.257 50 0 FGAAHO CCC[N@H+]1CCCn2nc(CNC3CCN(c4ccccc4)CC3)cc2C1 ZINC000082108887 519855560 /nfs/dbraw/zinc/85/55/60/519855560.db2.gz KROQQRAYXNBXEM-UHFFFAOYSA-N 1 3 367.541 3.257 50 0 FGAAHO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)NC3CC3)CC2)C1 ZINC000091663668 521730240 /nfs/dbraw/zinc/73/02/40/521730240.db2.gz NHBKAHKWJNZLRE-HXUWFJFHSA-N 1 3 369.553 3.247 50 0 FGAAHO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)NC3CC3)CC2)C1 ZINC000091663668 521730241 /nfs/dbraw/zinc/73/02/41/521730241.db2.gz NHBKAHKWJNZLRE-HXUWFJFHSA-N 1 3 369.553 3.247 50 0 FGAAHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000108394263 570906667 /nfs/dbraw/zinc/90/66/67/570906667.db2.gz OIIODFGGYXZRNI-IRLDBZIGSA-N 1 3 369.553 3.231 50 0 FGAAHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C1CC1)N1CCCC1 ZINC000108394263 570906670 /nfs/dbraw/zinc/90/66/70/570906670.db2.gz OIIODFGGYXZRNI-IRLDBZIGSA-N 1 3 369.553 3.231 50 0 FGAAHO Cc1ccc(C[N@@H+]2CCC3(CCN(Cc4ccccn4)CC3)[C@H](CO)C2)o1 ZINC000097547516 209185339 /nfs/dbraw/zinc/18/53/39/209185339.db2.gz LHAGACCTTHVMLY-IBGZPJMESA-N 1 3 369.509 3.080 50 0 FGAAHO Cc1ccc(C[N@H+]2CCC3(CCN(Cc4ccccn4)CC3)[C@H](CO)C2)o1 ZINC000097547516 209185342 /nfs/dbraw/zinc/18/53/42/209185342.db2.gz LHAGACCTTHVMLY-IBGZPJMESA-N 1 3 369.509 3.080 50 0 FGAAHO [NH3+]Cc1cccc(NC(=O)N2CCCN(CCCc3ccccc3)CC2)c1 ZINC000096180661 209132344 /nfs/dbraw/zinc/13/23/44/209132344.db2.gz JRGAMRXJVPMAGY-UHFFFAOYSA-N 1 3 366.509 3.318 50 0 FGAAHO CSCCNCc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000015071227 494336918 /nfs/dbraw/zinc/33/69/18/494336918.db2.gz DHNFTGIDTFNUEM-IBGZPJMESA-N 1 3 366.571 3.143 50 0 FGAAHO CSCCNCc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000015071227 494336920 /nfs/dbraw/zinc/33/69/20/494336920.db2.gz DHNFTGIDTFNUEM-IBGZPJMESA-N 1 3 366.571 3.143 50 0 FGAAHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(Br)cc2)C[C@@H](C)O1 ZINC000067452920 494544159 /nfs/dbraw/zinc/54/41/59/494544159.db2.gz DEXQTYBONZNHKK-HUUCEWRRSA-N 1 3 355.320 3.428 50 0 FGAAHO CC(C)(N)c1cn(CC2CC[NH+](CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)nn1 ZINC000023478396 494568132 /nfs/dbraw/zinc/56/81/32/494568132.db2.gz QANRTWDVDTZVLR-ROUUACIJSA-N 1 3 357.546 3.176 50 0 FGAAHO C[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)N3CCCC3)CC2)C1 ZINC000092107665 494794024 /nfs/dbraw/zinc/79/40/24/494794024.db2.gz QVBMZYRGXQTUAG-OAQYLSRUSA-N 1 3 369.553 3.200 50 0 FGAAHO C[N@H+]1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)N3CCCC3)CC2)C1 ZINC000092107665 494794028 /nfs/dbraw/zinc/79/40/28/494794028.db2.gz QVBMZYRGXQTUAG-OAQYLSRUSA-N 1 3 369.553 3.200 50 0 FGAAHO CC(=O)N1CCC(N2CC[C@@]3(C2)CCC[N@H+](CC2CCCCC2)C3)CC1 ZINC000012458005 207380996 /nfs/dbraw/zinc/38/09/96/207380996.db2.gz KFCFWFKIEXEKOZ-QFIPXVFZSA-N 1 3 361.574 3.366 50 0 FGAAHO CC(=O)N1CCC(N2CC[C@@]3(C2)CCC[N@@H+](CC2CCCCC2)C3)CC1 ZINC000012458005 207381000 /nfs/dbraw/zinc/38/10/00/207381000.db2.gz KFCFWFKIEXEKOZ-QFIPXVFZSA-N 1 3 361.574 3.366 50 0 FGAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCCCCC2)ccc1OC ZINC000012442194 207378786 /nfs/dbraw/zinc/37/87/86/207378786.db2.gz MJEWKUVKTQENNF-LJQANCHMSA-N 1 3 364.530 3.153 50 0 FGAAHO Cc1cc(N2CCCN(C[C@]3(c4cccc(F)c4)CCOC3)CC2)cc[nH+]1 ZINC000039420807 208210840 /nfs/dbraw/zinc/21/08/40/208210840.db2.gz VUZAJPYDOOVIAX-JOCHJYFZSA-N 1 3 369.484 3.400 50 0 FGAAHO C[NH+](C)Cc1ccc(CNC[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000008428557 494090719 /nfs/dbraw/zinc/09/07/19/494090719.db2.gz QIPWTOYXVHYLRG-GGAORHGYSA-N 1 3 368.521 3.293 50 0 FGAAHO CN(C)Cc1ccc(C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000008428557 494090723 /nfs/dbraw/zinc/09/07/23/494090723.db2.gz QIPWTOYXVHYLRG-GGAORHGYSA-N 1 3 368.521 3.293 50 0 FGAAHO COCCCN(Cc1ccc2cccc(OC)c2n1)C1CC[NH+](C)CC1 ZINC000072434679 494175415 /nfs/dbraw/zinc/17/54/15/494175415.db2.gz XVIKIBARIVLWKF-UHFFFAOYSA-N 1 3 357.498 3.176 50 0 FGAAHO NCc1cn(C2CC[NH+](Cc3cccn3-c3cccc(Cl)c3)CC2)nn1 ZINC000023430287 494566093 /nfs/dbraw/zinc/56/60/93/494566093.db2.gz OZQIUKIVORRQDK-UHFFFAOYSA-N 1 3 370.888 3.018 50 0 FGAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(OCCO)cc3)CC2)o1 ZINC000015071216 211118326 /nfs/dbraw/zinc/11/83/26/211118326.db2.gz KMURFUSZVCAWBO-UHFFFAOYSA-N 1 3 372.509 3.303 50 0 FGAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(OCCO)cc3)CC2)o1 ZINC000015071216 211118331 /nfs/dbraw/zinc/11/83/31/211118331.db2.gz KMURFUSZVCAWBO-UHFFFAOYSA-N 1 3 372.509 3.303 50 0 FGAAHO CCCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000014749201 211100876 /nfs/dbraw/zinc/10/08/76/211100876.db2.gz BRWOOUHDONSREN-NHCUHLMSSA-N 1 3 357.542 3.137 50 0 FGAAHO CCCCNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000014749201 211100879 /nfs/dbraw/zinc/10/08/79/211100879.db2.gz BRWOOUHDONSREN-NHCUHLMSSA-N 1 3 357.542 3.137 50 0 FGAAHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000097010529 222151292 /nfs/dbraw/zinc/15/12/92/222151292.db2.gz KNBZSAKAODVDIO-UHFFFAOYSA-N 1 3 354.498 3.311 50 0 FGAAHO Cc1ccc(Cn2cc(C[NH2+]CCCNCCO)c3ccccc32)cc1 ZINC000248067562 496951693 /nfs/dbraw/zinc/95/16/93/496951693.db2.gz FLCVFAXCPOYQFN-UHFFFAOYSA-N 1 3 351.494 3.060 50 0 FGAAHO CC1CC[NH+](CCC[C@H](NCCn2ccnn2)c2ccc(F)cc2)CC1 ZINC000225411560 497061683 /nfs/dbraw/zinc/06/16/83/497061683.db2.gz ULCNYDKRTMKELB-FQEVSTJZSA-N 1 3 359.493 3.260 50 0 FGAAHO Cc1ccsc1CN(CCN(C)C)C(=O)NCC[C@@H]1CCCC[N@@H+]1C ZINC000426551310 500288148 /nfs/dbraw/zinc/28/81/48/500288148.db2.gz OHWPGGCJZIVDQA-KRWDZBQOSA-N 1 3 366.575 3.004 50 0 FGAAHO Cc1ccsc1CN(CCN(C)C)C(=O)NCC[C@@H]1CCCC[N@H+]1C ZINC000426551310 500288149 /nfs/dbraw/zinc/28/81/49/500288149.db2.gz OHWPGGCJZIVDQA-KRWDZBQOSA-N 1 3 366.575 3.004 50 0 FGAAHO COc1ccc(/C=C/c2nc3ccccc3c([C@H](CN)C[NH+](C)C)n2)cc1 ZINC000299803818 210042431 /nfs/dbraw/zinc/04/24/31/210042431.db2.gz FJTVMDDTEJWJIV-JIIJFUIFSA-N 1 3 362.477 3.413 50 0 FGAAHO CN(Cc1ccc(CO)o1)CC1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000012713589 220021625 /nfs/dbraw/zinc/02/16/25/220021625.db2.gz YMWZFDDIYKQGKX-UHFFFAOYSA-N 1 3 360.473 3.298 50 0 FGAAHO CC[N@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000012707899 220019945 /nfs/dbraw/zinc/01/99/45/220019945.db2.gz SLQFVQXXPMGUMM-HXUWFJFHSA-N 1 3 372.509 3.019 50 0 FGAAHO CC[N@@H+](C)Cc1ccc(OC)c(OC[C@H](O)CN(C)Cc2ccccc2)c1 ZINC000012707899 220019947 /nfs/dbraw/zinc/01/99/47/220019947.db2.gz SLQFVQXXPMGUMM-HXUWFJFHSA-N 1 3 372.509 3.019 50 0 FGAAHO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000048711592 221014563 /nfs/dbraw/zinc/01/45/63/221014563.db2.gz ZNTSQJFFHSIPIS-OAHLLOKOSA-N 1 3 360.452 3.341 50 0 FGAAHO CCc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC000091770591 494673388 /nfs/dbraw/zinc/67/33/88/494673388.db2.gz JMDNYPFJYMQESE-UHFFFAOYSA-N 1 3 357.542 3.015 50 0 FGAAHO Nc1ccncc1-c1cccc(C(=O)NC[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000426490544 500279234 /nfs/dbraw/zinc/27/92/34/500279234.db2.gz QVDUNHPWPCIIEJ-MRXNPFEDSA-N 1 3 364.493 3.155 50 0 FGAAHO Nc1ccncc1-c1cccc(C(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000426490544 500279236 /nfs/dbraw/zinc/27/92/36/500279236.db2.gz QVDUNHPWPCIIEJ-MRXNPFEDSA-N 1 3 364.493 3.155 50 0 FGAAHO C/C=C(\C)CN1CCC[C@@H](c2nnc(SCC[NH+]3CCCC3)n2C)C1 ZINC000299796797 210038264 /nfs/dbraw/zinc/03/82/64/210038264.db2.gz OMIQGADQOJJMKE-XOVDAKGOSA-N 1 3 363.575 3.149 50 0 FGAAHO C[NH+](C)Cc1csc(CN2CCN(C3Cc4ccccc4C3)CC2)c1 ZINC000097553244 222190848 /nfs/dbraw/zinc/19/08/48/222190848.db2.gz HPBFFUGJYFQKFL-UHFFFAOYSA-N 1 3 355.551 3.095 50 0 FGAAHO C[C@H](C1CCN(Cc2ccccc2OCCn2ccnc2)CC1)[NH+](C)C ZINC000077438345 494083088 /nfs/dbraw/zinc/08/30/88/494083088.db2.gz LKMSCYYYTZQRMV-GOSISDBHSA-N 1 3 356.514 3.124 50 0 FGAAHO CC(C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCCN1Cc1ccc(F)cc1 ZINC000072133910 494130809 /nfs/dbraw/zinc/13/08/09/494130809.db2.gz RAQQYFTVKHTDQU-HXUWFJFHSA-N 1 3 363.521 3.226 50 0 FGAAHO CCCN1CC2(C[C@@H]1C(=O)NC1(Cc3ccccc3)CC1)CC[NH+](C)CC2 ZINC000072431328 494172794 /nfs/dbraw/zinc/17/27/94/494172794.db2.gz ZIKSFAPYAOLCFI-HXUWFJFHSA-N 1 3 369.553 3.074 50 0 FGAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH2+]CC2CC2)cc1 ZINC000011661792 494185157 /nfs/dbraw/zinc/18/51/57/494185157.db2.gz LOMBOOSQIQAXKS-OAQYLSRUSA-N 1 3 354.494 3.058 50 0 FGAAHO Cc1cc(C)c(C[N@@H+](C)C[C@H]2CCCCO2)cc1CN1CCN(C)CC1 ZINC000215412331 496981062 /nfs/dbraw/zinc/98/10/62/496981062.db2.gz LTJYMWYIQOCMLF-JOCHJYFZSA-N 1 3 359.558 3.052 50 0 FGAAHO CC1CC[NH+](CCC[C@@H](NCCn2ccnn2)c2ccc(F)cc2)CC1 ZINC000225411605 497061604 /nfs/dbraw/zinc/06/16/04/497061604.db2.gz ULCNYDKRTMKELB-HXUWFJFHSA-N 1 3 359.493 3.260 50 0 FGAAHO CCCOc1c(Br)cc(C[NH2+]CCCN(C)C)cc1OC ZINC000020968230 220346052 /nfs/dbraw/zinc/34/60/52/220346052.db2.gz FJBCULGGYDICLV-UHFFFAOYSA-N 1 3 359.308 3.288 50 0 FGAAHO CCC[NH+]1CCC(N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000004723244 493890303 /nfs/dbraw/zinc/89/03/03/493890303.db2.gz ZMMHFZYBORXNGO-FQEVSTJZSA-N 1 3 357.542 3.231 50 0 FGAAHO C[NH+](C)CCCN1CC2(CCN(Cc3cc4ccccc4o3)CC2)OC1=O ZINC000072410465 494166924 /nfs/dbraw/zinc/16/69/24/494166924.db2.gz ZBJKIWPPFQWAON-UHFFFAOYSA-N 1 3 371.481 3.171 50 0 FGAAHO COCCN1CCC(C[N@@H+](Cc2ccc(C)s2)C[C@H]2CCCO2)CC1 ZINC000011879430 494194687 /nfs/dbraw/zinc/19/46/87/494194687.db2.gz QNXUQAIJJRMJMV-LJQANCHMSA-N 1 3 366.571 3.396 50 0 FGAAHO COCCN1CCC(C[N@H+](Cc2ccc(C)s2)C[C@H]2CCCO2)CC1 ZINC000011879430 494194689 /nfs/dbraw/zinc/19/46/89/494194689.db2.gz QNXUQAIJJRMJMV-LJQANCHMSA-N 1 3 366.571 3.396 50 0 FGAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3c[nH]c(C)n3)CC2)cc1 ZINC000012302181 494221256 /nfs/dbraw/zinc/22/12/56/494221256.db2.gz JUQYHWVVTOWBEF-UHFFFAOYSA-N 1 3 356.514 3.113 50 0 FGAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cnc(C)[nH]3)CC2)cc1 ZINC000012302181 494221259 /nfs/dbraw/zinc/22/12/59/494221259.db2.gz JUQYHWVVTOWBEF-UHFFFAOYSA-N 1 3 356.514 3.113 50 0 FGAAHO [NH3+]CCc1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)cc1 ZINC000091254394 494573506 /nfs/dbraw/zinc/57/35/06/494573506.db2.gz XGBAXMBUYAHRGY-JTHBVZDNSA-N 1 3 367.512 3.423 50 0 FGAAHO CC[N@@H+](Cc1cc(C)cc(CN2CCN(C)CC2)c1C)C[C@@H]1CCCO1 ZINC000219984435 497013022 /nfs/dbraw/zinc/01/30/22/497013022.db2.gz ZXQSIFCUAPUNNN-QFIPXVFZSA-N 1 3 359.558 3.052 50 0 FGAAHO CC[N@H+](Cc1cc(C)cc(CN2CCN(C)CC2)c1C)C[C@@H]1CCCO1 ZINC000219984435 497013026 /nfs/dbraw/zinc/01/30/26/497013026.db2.gz ZXQSIFCUAPUNNN-QFIPXVFZSA-N 1 3 359.558 3.052 50 0 FGAAHO Cc1cc(C)n2c(CN(C)CC3CCN(c4cc[nH+]cc4)CC3)cnc2n1 ZINC000252536444 497310382 /nfs/dbraw/zinc/31/03/82/497310382.db2.gz IOXZDMRRHUBLCV-UHFFFAOYSA-N 1 3 364.497 3.090 50 0 FGAAHO CCN(CC)[C@@H](CNc1nc(CC[NH3+])nc2ccccc21)c1ccco1 ZINC000065395838 221210851 /nfs/dbraw/zinc/21/08/51/221210851.db2.gz ILTJPWXSGSSNDQ-KRWDZBQOSA-N 1 3 353.470 3.219 50 0 FGAAHO CCC[NH+]1CCC(N2CCC[C@@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000004723245 493890460 /nfs/dbraw/zinc/89/04/60/493890460.db2.gz ZMMHFZYBORXNGO-HXUWFJFHSA-N 1 3 357.542 3.231 50 0 FGAAHO C[C@@H](C1CCN(Cc2ccccc2OCCn2ccnc2)CC1)[NH+](C)C ZINC000077438343 494082902 /nfs/dbraw/zinc/08/29/02/494082902.db2.gz LKMSCYYYTZQRMV-SFHVURJKSA-N 1 3 356.514 3.124 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](CN)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237565115 497256086 /nfs/dbraw/zinc/25/60/86/497256086.db2.gz IIXNMFJKPWAWEP-COPCDDAFSA-N 1 3 365.521 3.240 50 0 FGAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](CN)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237565115 497256090 /nfs/dbraw/zinc/25/60/90/497256090.db2.gz IIXNMFJKPWAWEP-COPCDDAFSA-N 1 3 365.521 3.240 50 0 FGAAHO COCC[N@H+](C)CCCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000252509791 497308241 /nfs/dbraw/zinc/30/82/41/497308241.db2.gz YVTZSMXVOYRSPG-OAQYLSRUSA-N 1 3 373.541 3.010 50 0 FGAAHO COCC[N@@H+](C)CCCC1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000252509791 497308245 /nfs/dbraw/zinc/30/82/45/497308245.db2.gz YVTZSMXVOYRSPG-OAQYLSRUSA-N 1 3 373.541 3.010 50 0 FGAAHO Cc1ccsc1CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420770 210139106 /nfs/dbraw/zinc/13/91/06/210139106.db2.gz NBPOGAJZSMAZHQ-GOSISDBHSA-N 1 3 357.523 3.044 50 0 FGAAHO Cc1ccsc1CNCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420770 210139108 /nfs/dbraw/zinc/13/91/08/210139108.db2.gz NBPOGAJZSMAZHQ-GOSISDBHSA-N 1 3 357.523 3.044 50 0 FGAAHO Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)c3ccncc3)CC2)nc(N)n1 ZINC000095354490 132207063 /nfs/dbraw/zinc/20/70/63/132207063.db2.gz ZNDSEDMEHADSSR-OAQYLSRUSA-N 1 3 374.492 3.110 50 0 FGAAHO CCC[NH+]1CCC(N2CCC(n3cc(-c4ccccc4)nn3)CC2)CC1 ZINC000048482721 493831762 /nfs/dbraw/zinc/83/17/62/493831762.db2.gz ASOFAENBCVBYNX-UHFFFAOYSA-N 1 3 353.514 3.456 50 0 FGAAHO CN(CC1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H](N)C1CCCCC1 ZINC000077391474 494074868 /nfs/dbraw/zinc/07/48/68/494074868.db2.gz LDMREVLYVKDTFQ-NRFANRHFSA-N 1 3 357.542 3.265 50 0 FGAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[NH2+]CC2CC2)cc1 ZINC000011661791 494185066 /nfs/dbraw/zinc/18/50/66/494185066.db2.gz LOMBOOSQIQAXKS-NRFANRHFSA-N 1 3 354.494 3.058 50 0 FGAAHO COCC[N@@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccc(C)c(C)c2)C1 ZINC000055118942 494304797 /nfs/dbraw/zinc/30/47/97/494304797.db2.gz FRCPSSNJVNMOPR-SFHVURJKSA-N 1 3 356.514 3.142 50 0 FGAAHO COCC[N@H+]1CCC[C@@H](CNCc2c[nH]nc2-c2ccc(C)c(C)c2)C1 ZINC000055118942 494304801 /nfs/dbraw/zinc/30/48/01/494304801.db2.gz FRCPSSNJVNMOPR-SFHVURJKSA-N 1 3 356.514 3.142 50 0 FGAAHO CN1CCN(CC2CC[NH+](Cc3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000215960164 496984803 /nfs/dbraw/zinc/98/48/03/496984803.db2.gz GLBKPURYFMBLCB-UHFFFAOYSA-N 1 3 353.510 3.406 50 0 FGAAHO COCC[N@@H+]1CCC[C@@]2(CCN(Cc3cc(C)ccc3-n3cccn3)C2)C1 ZINC000015072829 211119520 /nfs/dbraw/zinc/11/95/20/211119520.db2.gz ZVJIDYXNSRETTP-JOCHJYFZSA-N 1 3 368.525 3.115 50 0 FGAAHO COCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C)ccc3-n3cccn3)C2)C1 ZINC000015072829 211119523 /nfs/dbraw/zinc/11/95/23/211119523.db2.gz ZVJIDYXNSRETTP-JOCHJYFZSA-N 1 3 368.525 3.115 50 0 FGAAHO CC(C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCN1Cc1ccc(F)cc1 ZINC000072162820 494139774 /nfs/dbraw/zinc/13/97/74/494139774.db2.gz NYKIPBLNXHJWDU-HXUWFJFHSA-N 1 3 363.521 3.225 50 0 FGAAHO CC(C)[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCCN1Cc1ccc(F)cc1 ZINC000072162820 494139779 /nfs/dbraw/zinc/13/97/79/494139779.db2.gz NYKIPBLNXHJWDU-HXUWFJFHSA-N 1 3 363.521 3.225 50 0 FGAAHO CSc1cccc(C[NH+]2CCC(CCC(=O)NCCN(C)C)CC2)c1 ZINC000012744241 494253858 /nfs/dbraw/zinc/25/38/58/494253858.db2.gz LXWBCSPGMJEJSR-UHFFFAOYSA-N 1 3 363.571 3.079 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237585724 497259428 /nfs/dbraw/zinc/25/94/28/497259428.db2.gz QRWVCWFJLBDUPE-QIJUGHKUSA-N 1 3 365.521 3.068 50 0 FGAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237585724 497259432 /nfs/dbraw/zinc/25/94/32/497259432.db2.gz QRWVCWFJLBDUPE-QIJUGHKUSA-N 1 3 365.521 3.068 50 0 FGAAHO Cc1cc(N2CCCN(CCC(=O)Nc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC000252483471 497304159 /nfs/dbraw/zinc/30/41/59/497304159.db2.gz FCDQIMLIAJTBQE-UHFFFAOYSA-N 1 3 374.435 3.209 50 0 FGAAHO COC[C@H]1CN(Cc2cc(F)cc(Br)c2)CC12CC[NH2+]CC2 ZINC000169789809 705351725 /nfs/dbraw/zinc/35/17/25/705351725.db2.gz IUEJUYJIHSRWHT-CQSZACIVSA-N 1 3 371.294 3.036 50 0 FGAAHO COCC[NH+]1CCC(CN(Cc2ccccc2F)C[C@@H]2CCCO2)CC1 ZINC000015064149 220143610 /nfs/dbraw/zinc/14/36/10/220143610.db2.gz FSULDBKGJLDYSX-FQEVSTJZSA-N 1 3 364.505 3.165 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000095997183 132216643 /nfs/dbraw/zinc/21/66/43/132216643.db2.gz XQQMZTSZVJXSAC-TZIWHRDSSA-N 1 3 359.558 3.057 50 0 FGAAHO CCN1CCN(c2ccccc2C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000095997183 132216644 /nfs/dbraw/zinc/21/66/44/132216644.db2.gz XQQMZTSZVJXSAC-TZIWHRDSSA-N 1 3 359.558 3.057 50 0 FGAAHO CCCCN1C[C@]2(CCCN(Cc3ccc(CC[NH3+])cc3)C2)CCC1=O ZINC000077285835 494048754 /nfs/dbraw/zinc/04/87/54/494048754.db2.gz SQAOATJCVOHZBA-JOCHJYFZSA-N 1 3 357.542 3.193 50 0 FGAAHO Cc1cc(N2CCCN(CCC(=O)N[C@@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000244763938 497370044 /nfs/dbraw/zinc/37/00/44/497370044.db2.gz OYDNQXCOZYAGNN-IBGZPJMESA-N 1 3 366.509 3.170 50 0 FGAAHO COc1cc(C)c(CN2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)cc1C ZINC000097272523 222171867 /nfs/dbraw/zinc/17/18/67/222171867.db2.gz HETUFYVXVYXRKW-IBGZPJMESA-N 1 3 359.558 3.160 50 0 FGAAHO COc1ccccc1-c1ncc(CN2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000072135596 494132212 /nfs/dbraw/zinc/13/22/12/494132212.db2.gz RXVDOLGRARPDCT-UHFFFAOYSA-N 1 3 352.482 3.118 50 0 FGAAHO CC[NH+]1CCC(CC(=O)NCCN2CCC[C@H](c3ccccc3)C2)CC1 ZINC000095378757 494969460 /nfs/dbraw/zinc/96/94/60/494969460.db2.gz IMTXTOQPNXFGSV-NRFANRHFSA-N 1 3 357.542 3.104 50 0 FGAAHO CC1(C)CC(n2cc(O)c(-c3nc4ccccc4[nH]3)c2N)CC(C)(C)[NH2+]1 ZINC000253394760 497330492 /nfs/dbraw/zinc/33/04/92/497330492.db2.gz PVPQHPSBYQCHFE-UHFFFAOYSA-N 1 3 353.470 3.434 50 0 FGAAHO COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000243893597 497361584 /nfs/dbraw/zinc/36/15/84/497361584.db2.gz ASQSEEQOZHBDKW-OAHLLOKOSA-N 1 3 353.894 3.093 50 0 FGAAHO COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000243893597 497361591 /nfs/dbraw/zinc/36/15/91/497361591.db2.gz ASQSEEQOZHBDKW-OAHLLOKOSA-N 1 3 353.894 3.093 50 0 FGAAHO C/C=C(\C)CN1CCC[C@H](c2nnc(SCC[NH+]3CCCC3)n2C)C1 ZINC000299796789 497926523 /nfs/dbraw/zinc/92/65/23/497926523.db2.gz OMIQGADQOJJMKE-DEKXCNBGSA-N 1 3 363.575 3.149 50 0 FGAAHO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC000014976812 220138898 /nfs/dbraw/zinc/13/88/98/220138898.db2.gz AQRHFEIHZBEDAF-HXUWFJFHSA-N 1 3 369.553 3.074 50 0 FGAAHO Cc1nc(C)c(CN2CCC3(CC2)c2ccccc2[C@@H]([NH+](C)C)[C@@H]3O)s1 ZINC000019638700 220280012 /nfs/dbraw/zinc/28/00/12/220280012.db2.gz OSXONFFMTSRGNO-UXHICEINSA-N 1 3 371.550 3.271 50 0 FGAAHO CCCCC[NH+]1CCC(N2CCC[C@@H](C(=O)NCc3cccnc3)C2)CC1 ZINC000071524410 221350916 /nfs/dbraw/zinc/35/09/16/221350916.db2.gz VVVRSLZMJSBXOS-HXUWFJFHSA-N 1 3 372.557 3.064 50 0 FGAAHO COc1ccc(C[NH+]2CCC(Cn3ccnc3)CC2)cc1CN1CCCC1 ZINC000097637837 222201069 /nfs/dbraw/zinc/20/10/69/222201069.db2.gz HVVKLKZMBGKWDH-UHFFFAOYSA-N 1 3 368.525 3.400 50 0 FGAAHO CC[NH+](CC)CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072137199 494132405 /nfs/dbraw/zinc/13/24/05/494132405.db2.gz PHINLIFTTLHWTH-FQEVSTJZSA-N 1 3 363.521 3.226 50 0 FGAAHO COCc1cc(CN2CCCN(c3cc[nH+]c(C)c3)CC2)ccc1OC ZINC000072167793 494141532 /nfs/dbraw/zinc/14/15/32/494141532.db2.gz HVKCZXOXHXSTMV-UHFFFAOYSA-N 1 3 355.482 3.257 50 0 FGAAHO CC(C)C(=O)N(CC[NH+](C)C)C[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000015069001 220144130 /nfs/dbraw/zinc/14/41/30/220144130.db2.gz KKTNZYPHIGPMOT-SFHVURJKSA-N 1 3 363.521 3.084 50 0 FGAAHO CN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000058166231 221101626 /nfs/dbraw/zinc/10/16/26/221101626.db2.gz FJWHRMWLPGRTGI-NRFANRHFSA-N 1 3 372.557 3.345 50 0 FGAAHO CN1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000058166231 221101629 /nfs/dbraw/zinc/10/16/29/221101629.db2.gz FJWHRMWLPGRTGI-NRFANRHFSA-N 1 3 372.557 3.345 50 0 FGAAHO Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)c3ccncc3)CC2)nc(N)n1 ZINC000095354489 132207329 /nfs/dbraw/zinc/20/73/29/132207329.db2.gz ZNDSEDMEHADSSR-NRFANRHFSA-N 1 3 374.492 3.110 50 0 FGAAHO CSCCC[NH+]1CCC2(CCN(Cc3ccsc3)C[C@H]2CO)CC1 ZINC000097609975 222198119 /nfs/dbraw/zinc/19/81/19/222198119.db2.gz SVNZNTGWKPHFAO-SFHVURJKSA-N 1 3 368.612 3.398 50 0 FGAAHO C[NH+](C)Cc1ccc(CNC[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000008428556 494090491 /nfs/dbraw/zinc/09/04/91/494090491.db2.gz QIPWTOYXVHYLRG-GMAHTHKFSA-N 1 3 368.521 3.293 50 0 FGAAHO CN(C)Cc1ccc(C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1 ZINC000008428556 494090494 /nfs/dbraw/zinc/09/04/94/494090494.db2.gz QIPWTOYXVHYLRG-GMAHTHKFSA-N 1 3 368.521 3.293 50 0 FGAAHO OCCNCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000040720712 494145912 /nfs/dbraw/zinc/14/59/12/494145912.db2.gz QFDVPPZZNSEATG-UHFFFAOYSA-N 1 3 366.864 3.120 50 0 FGAAHO Cc1ccccc1CNC(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000012431772 494232058 /nfs/dbraw/zinc/23/20/58/494232058.db2.gz QLRXRIJGYXFWAV-HXUWFJFHSA-N 1 3 357.542 3.196 50 0 FGAAHO CCN(CCN1CCCCCC1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095364522 494965649 /nfs/dbraw/zinc/96/56/49/494965649.db2.gz GJBNDZSHDZYJEB-OAQYLSRUSA-N 1 3 357.542 3.492 50 0 FGAAHO CCC[NH+]1CCC(CCC(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000095504579 494982318 /nfs/dbraw/zinc/98/23/18/494982318.db2.gz FEAFSMLRNWZGAT-NRFANRHFSA-N 1 3 357.542 3.279 50 0 FGAAHO CC[N@@H+](Cc1cc(C)cc(CN2CCN(C)CC2)c1C)C[C@H]1CCCO1 ZINC000219984502 497012976 /nfs/dbraw/zinc/01/29/76/497012976.db2.gz ZXQSIFCUAPUNNN-JOCHJYFZSA-N 1 3 359.558 3.052 50 0 FGAAHO CC[N@H+](Cc1cc(C)cc(CN2CCN(C)CC2)c1C)C[C@H]1CCCO1 ZINC000219984502 497012979 /nfs/dbraw/zinc/01/29/79/497012979.db2.gz ZXQSIFCUAPUNNN-JOCHJYFZSA-N 1 3 359.558 3.052 50 0 FGAAHO CN(C)Cc1cccc(C[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000091494526 521919507 /nfs/dbraw/zinc/91/95/07/521919507.db2.gz BGYOUFMLIXPAMW-UHFFFAOYSA-N 1 3 369.553 3.363 50 0 FGAAHO CC(C)=CC[NH+]1CCC2(CC1)c1ccccc1[C@@H](N1CCSCC1)[C@@H]2O ZINC000020450021 263380687 /nfs/dbraw/zinc/38/06/87/263380687.db2.gz PONCXYBBYQSZQV-RTWAWAEBSA-N 1 3 372.578 3.451 50 0 FGAAHO O=C(NCCC[NH+]1CCCCCC1)C1CCN(Cc2ccccc2)CC1 ZINC000039772237 494124151 /nfs/dbraw/zinc/12/41/51/494124151.db2.gz GJTWHGSFYBSLMR-UHFFFAOYSA-N 1 3 357.542 3.281 50 0 FGAAHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000012072439 494201466 /nfs/dbraw/zinc/20/14/66/494201466.db2.gz OJMUPVIZCSBIAN-UHFFFAOYSA-N 1 3 357.498 3.103 50 0 FGAAHO Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CCCCO2)cc1CN1CCN(C)CC1 ZINC000215412286 496980359 /nfs/dbraw/zinc/98/03/59/496980359.db2.gz LTJYMWYIQOCMLF-QFIPXVFZSA-N 1 3 359.558 3.052 50 0 FGAAHO Cc1nc(NC2CCN(Cc3cccs3)CC2)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244700877 497367116 /nfs/dbraw/zinc/36/71/16/497367116.db2.gz JVOVJJJEAAZZHH-SHTZXODSSA-N 1 3 357.527 3.128 50 0 FGAAHO CC[NH+]1CCC2(C[C@@H](c3nnc(C)o3)N(CCc3ccccc3)C2)CC1 ZINC000257191354 497388526 /nfs/dbraw/zinc/38/85/26/497388526.db2.gz QCVNYXFBTZZYPG-IBGZPJMESA-N 1 3 354.498 3.470 50 0 FGAAHO Cc1ccc(CNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)s1 ZINC000012752918 220024491 /nfs/dbraw/zinc/02/44/91/220024491.db2.gz FZAYENFNGWGNEQ-QGZVFWFLSA-N 1 3 363.571 3.258 50 0 FGAAHO C[NH+](C)Cc1ccccc1CNCc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000048684548 221014260 /nfs/dbraw/zinc/01/42/60/221014260.db2.gz SAQUEYQGXMPSGJ-UHFFFAOYSA-N 1 3 364.449 3.157 50 0 FGAAHO C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1C[C@H](F)CN1)C1CCCCC1 ZINC000097831102 222215952 /nfs/dbraw/zinc/21/59/52/222215952.db2.gz XONIDLJZKHVUKG-IRXDYDNUSA-N 1 3 362.493 3.273 50 0 FGAAHO C[N@@H+](Cc1ccccc1NC(=O)NC[C@@H]1C[C@H](F)CN1)C1CCCCC1 ZINC000097831102 222215958 /nfs/dbraw/zinc/21/59/58/222215958.db2.gz XONIDLJZKHVUKG-IRXDYDNUSA-N 1 3 362.493 3.273 50 0 FGAAHO C[C@H]1CCC[N@H+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000072437776 494174642 /nfs/dbraw/zinc/17/46/42/494174642.db2.gz JHIFUMOTEVNJRY-IBGZPJMESA-N 1 3 357.542 3.137 50 0 FGAAHO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000072437776 494174647 /nfs/dbraw/zinc/17/46/47/494174647.db2.gz JHIFUMOTEVNJRY-IBGZPJMESA-N 1 3 357.542 3.137 50 0 FGAAHO CCn1cc(CN(C)CC2CC[NH+](CCc3ccccc3OC)CC2)cn1 ZINC000012057534 494201777 /nfs/dbraw/zinc/20/17/77/494201777.db2.gz XRWXRRCBCRTEJZ-UHFFFAOYSA-N 1 3 370.541 3.298 50 0 FGAAHO CN1CC[C@H](N2CC3(CCC2=O)CC[NH+](C/C=C/c2ccccc2)CC3)C1 ZINC000091915096 494721854 /nfs/dbraw/zinc/72/18/54/494721854.db2.gz ALLAMSZKNSYPNC-FERLCFGISA-N 1 3 367.537 3.109 50 0 FGAAHO OCC1(C[NH+]2CCCC2)CCN(Cc2ccc3cc(O)ccc3c2)CC1 ZINC000219410608 497009806 /nfs/dbraw/zinc/00/98/06/497009806.db2.gz LXRZKIOIVPRHTJ-UHFFFAOYSA-N 1 3 354.494 3.216 50 0 FGAAHO C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000237561137 497255843 /nfs/dbraw/zinc/25/58/43/497255843.db2.gz QRWVCWFJLBDUPE-BWAGFHJFSA-N 1 3 365.521 3.068 50 0 FGAAHO C[C@H]1C[C@H](N(C)C(=O)[C@@H](N)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237561137 497255846 /nfs/dbraw/zinc/25/58/46/497255846.db2.gz QRWVCWFJLBDUPE-BWAGFHJFSA-N 1 3 365.521 3.068 50 0 FGAAHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000299738416 223077885 /nfs/dbraw/zinc/07/78/85/223077885.db2.gz ANFYHIWDKXFVFN-COPCDDAFSA-N 1 3 365.521 3.446 50 0 FGAAHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@H](N)c1ccccc1 ZINC000299738416 223077892 /nfs/dbraw/zinc/07/78/92/223077892.db2.gz ANFYHIWDKXFVFN-COPCDDAFSA-N 1 3 365.521 3.446 50 0 FGAAHO COc1cc(CN2CCCC2)ccc1Oc1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000067974964 221310530 /nfs/dbraw/zinc/31/05/30/221310530.db2.gz DQLQLQAARIICML-GOSISDBHSA-N 1 3 354.450 3.346 50 0 FGAAHO CN(C)CCN(Cc1ccccc1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000097301438 222172944 /nfs/dbraw/zinc/17/29/44/222172944.db2.gz SPJITVNRHAMNTG-JOCHJYFZSA-N 1 3 365.521 3.358 50 0 FGAAHO Cc1ccc(C)c(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)c1 ZINC000023374719 494563144 /nfs/dbraw/zinc/56/31/44/494563144.db2.gz OTDSYBCRCJSKGZ-QHCPKHFHSA-N 1 3 373.585 3.045 50 0 FGAAHO CC(C)N1CCC[C@@H](N(C)CCC2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000092821284 494764180 /nfs/dbraw/zinc/76/41/80/494764180.db2.gz QOFOCINVIYFGON-HXUWFJFHSA-N 1 3 358.530 3.019 50 0 FGAAHO Cc1nccn1CC[N@@H+](C)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000095509565 494983650 /nfs/dbraw/zinc/98/36/50/494983650.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 1 3 358.505 3.217 50 0 FGAAHO Cc1nccn1CC[N@H+](C)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000095509565 494983651 /nfs/dbraw/zinc/98/36/51/494983651.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 1 3 358.505 3.217 50 0 FGAAHO Cc1nccn1CCN(C)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000095509565 494983653 /nfs/dbraw/zinc/98/36/53/494983653.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 1 3 358.505 3.217 50 0 FGAAHO Cc1nccn1CCN(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000095509565 494983654 /nfs/dbraw/zinc/98/36/54/494983654.db2.gz RMRZCOKYVFKADK-FQEVSTJZSA-N 1 3 358.505 3.217 50 0 FGAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)N(C)Cc3ccccc3)C2)CC1 ZINC000071440139 221348915 /nfs/dbraw/zinc/34/89/15/221348915.db2.gz NATMBGZQGDWRCD-FQEVSTJZSA-N 1 3 357.542 3.230 50 0 FGAAHO CN1CCC(CC(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000096012420 132217024 /nfs/dbraw/zinc/21/70/24/132217024.db2.gz JNLVCTSXWCOCQU-UHFFFAOYSA-N 1 3 372.557 3.135 50 0 FGAAHO COCCN1CCC(C[N@@H+](Cc2ccc(C)s2)C[C@@H]2CCCO2)CC1 ZINC000011879429 494194334 /nfs/dbraw/zinc/19/43/34/494194334.db2.gz QNXUQAIJJRMJMV-IBGZPJMESA-N 1 3 366.571 3.396 50 0 FGAAHO COCCN1CCC(C[N@H+](Cc2ccc(C)s2)C[C@@H]2CCCO2)CC1 ZINC000011879429 494194338 /nfs/dbraw/zinc/19/43/38/494194338.db2.gz QNXUQAIJJRMJMV-IBGZPJMESA-N 1 3 366.571 3.396 50 0 FGAAHO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)N(C)C)CC2)C1 ZINC000091933364 494728087 /nfs/dbraw/zinc/72/80/87/494728087.db2.gz IECISRBKOKRVCW-FQEVSTJZSA-N 1 3 357.542 3.056 50 0 FGAAHO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(CCC(=O)N(C)C)CC2)C1 ZINC000091933364 494728096 /nfs/dbraw/zinc/72/80/96/494728096.db2.gz IECISRBKOKRVCW-FQEVSTJZSA-N 1 3 357.542 3.056 50 0 FGAAHO Cc1noc([C@@]23CN(CCc4ccccc4)C[C@@H]2CC[N@@H+](CC(C)C)C3)n1 ZINC000257192778 497387761 /nfs/dbraw/zinc/38/77/61/497387761.db2.gz VWOLCOAZPUVSGQ-UNMCSNQZSA-N 1 3 368.525 3.152 50 0 FGAAHO Cc1noc([C@@]23CN(CCc4ccccc4)C[C@@H]2CC[N@H+](CC(C)C)C3)n1 ZINC000257192778 497387765 /nfs/dbraw/zinc/38/77/65/497387765.db2.gz VWOLCOAZPUVSGQ-UNMCSNQZSA-N 1 3 368.525 3.152 50 0 FGAAHO