smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC1(F)[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531724 759143204 /nfs/dbraw/zinc/14/32/04/759143204.db2.gz SYTVTRFWTNPUAD-LPEHRKFASA-N 2 1 366.296 3.089 20 30 FGEDMP FC1(F)[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531724 759143210 /nfs/dbraw/zinc/14/32/10/759143210.db2.gz SYTVTRFWTNPUAD-LPEHRKFASA-N 2 1 366.296 3.089 20 30 FGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568070 493917597 /nfs/dbraw/zinc/91/75/97/493917597.db2.gz GGHGHMUMDMGZMM-HNNXBMFYSA-N 2 1 362.905 3.204 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568070 493917602 /nfs/dbraw/zinc/91/76/02/493917602.db2.gz GGHGHMUMDMGZMM-HNNXBMFYSA-N 2 1 362.905 3.204 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568070 493917606 /nfs/dbraw/zinc/91/76/06/493917606.db2.gz GGHGHMUMDMGZMM-HNNXBMFYSA-N 2 1 362.905 3.204 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000111496063 495082025 /nfs/dbraw/zinc/08/20/25/495082025.db2.gz LZQNSDHWASFUOD-SFHVURJKSA-N 2 1 364.578 3.227 20 30 FGEDMP C[C@H](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000183226425 495887992 /nfs/dbraw/zinc/88/79/92/495887992.db2.gz QXMIZEFIXKBWBG-LJQANCHMSA-N 2 1 354.542 3.377 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183686237 496079198 /nfs/dbraw/zinc/07/91/98/496079198.db2.gz FFZNQQYZOFWCAC-IRXDYDNUSA-N 2 1 352.482 3.420 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000277350299 496745313 /nfs/dbraw/zinc/74/53/13/496745313.db2.gz WQDQLLAPGNTDTE-UHFFFAOYSA-N 2 1 356.470 3.117 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000277350299 496745317 /nfs/dbraw/zinc/74/53/17/496745317.db2.gz WQDQLLAPGNTDTE-UHFFFAOYSA-N 2 1 356.470 3.117 20 30 FGEDMP COc1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1OCCCC#N ZINC000266183338 497274984 /nfs/dbraw/zinc/27/49/84/497274984.db2.gz WAMLFZFSSMHBQY-UHFFFAOYSA-N 2 1 356.470 3.453 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441864 497408041 /nfs/dbraw/zinc/40/80/41/497408041.db2.gz VUMDUAWQDZQLGU-WMLDXEAASA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441864 497408046 /nfs/dbraw/zinc/40/80/46/497408046.db2.gz VUMDUAWQDZQLGU-WMLDXEAASA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441864 497408051 /nfs/dbraw/zinc/40/80/51/497408051.db2.gz VUMDUAWQDZQLGU-WMLDXEAASA-N 2 1 374.554 3.099 20 30 FGEDMP C[N@H+]1CCC[C@@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976948 497588140 /nfs/dbraw/zinc/58/81/40/497588140.db2.gz XESXODBTZDBJFK-SJLPKXTDSA-N 2 1 352.400 3.353 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333102992 498899950 /nfs/dbraw/zinc/89/99/50/498899950.db2.gz DALIBVXJFZJIPZ-UHFFFAOYSA-N 2 1 350.466 3.349 20 30 FGEDMP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)ccc1C#N ZINC000367097352 499148470 /nfs/dbraw/zinc/14/84/70/499148470.db2.gz AJRYTXUVDZADCE-UHFFFAOYSA-N 2 1 350.397 3.490 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000367629249 499219578 /nfs/dbraw/zinc/21/95/78/499219578.db2.gz BTSPPNGDWXZYQR-XOBRGWDASA-N 2 1 371.460 3.025 20 30 FGEDMP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369341717 499393168 /nfs/dbraw/zinc/39/31/68/499393168.db2.gz GBSQMDNUAVKWOG-VLCRHTCISA-N 2 1 356.510 3.068 20 30 FGEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(F)c1C#N ZINC000431848264 500433769 /nfs/dbraw/zinc/43/37/69/500433769.db2.gz YLNMHUGFOBJXOO-UHFFFAOYSA-N 2 1 358.505 3.330 20 30 FGEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)C1 ZINC000515074316 503265924 /nfs/dbraw/zinc/26/59/24/503265924.db2.gz GMPRTSZSVFZHBW-KRWDZBQOSA-N 2 1 374.492 3.123 20 30 FGEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000507460941 503302437 /nfs/dbraw/zinc/30/24/37/503302437.db2.gz KDDNYOMYVSLOQX-ACIOBRDBSA-N 2 1 361.489 3.437 20 30 FGEDMP C=CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000512705757 503617512 /nfs/dbraw/zinc/61/75/12/503617512.db2.gz PHRMMHPKCPQBEI-WOJBJXKFSA-N 2 1 357.542 3.242 20 30 FGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540246963 503723148 /nfs/dbraw/zinc/72/31/48/503723148.db2.gz ICVITNDZXURXLN-OTWHNJEPSA-N 2 1 371.525 3.209 20 30 FGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540246963 503723151 /nfs/dbraw/zinc/72/31/51/503723151.db2.gz ICVITNDZXURXLN-OTWHNJEPSA-N 2 1 371.525 3.209 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000519636795 504283523 /nfs/dbraw/zinc/28/35/23/504283523.db2.gz GIQJAEBZTHJZTD-UHFFFAOYSA-N 2 1 355.404 3.274 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000562986455 505010827 /nfs/dbraw/zinc/01/08/27/505010827.db2.gz ZCGGPSUXOXRJCY-JOCHJYFZSA-N 2 1 366.505 3.333 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000560532369 505117328 /nfs/dbraw/zinc/11/73/28/505117328.db2.gz YXVNRJKRFGOZRX-KDURUIRLSA-N 2 1 354.542 3.485 20 30 FGEDMP COCC[C@H]1CCCC[N@@H+](CC#CC[NH+]2CCCC[C@@H](CCOC)C2)C1 ZINC000551395930 505217354 /nfs/dbraw/zinc/21/73/54/505217354.db2.gz WTKMKHIGXHYACE-SZPZYZBQSA-N 2 1 364.574 3.267 20 30 FGEDMP COCC[C@H]1CCCC[NH+](CC#CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000551395930 505217358 /nfs/dbraw/zinc/21/73/58/505217358.db2.gz WTKMKHIGXHYACE-SZPZYZBQSA-N 2 1 364.574 3.267 20 30 FGEDMP COCC[C@H]1CCCC[NH+](CC#CC[N@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000551395930 505217361 /nfs/dbraw/zinc/21/73/61/505217361.db2.gz WTKMKHIGXHYACE-SZPZYZBQSA-N 2 1 364.574 3.267 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000599657707 506557713 /nfs/dbraw/zinc/55/77/13/506557713.db2.gz LBZBIWCQDDCANX-KRWDZBQOSA-N 2 1 364.493 3.469 20 30 FGEDMP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000594500277 507156849 /nfs/dbraw/zinc/15/68/49/507156849.db2.gz LJESBIKJQJAHHE-JOCHJYFZSA-N 2 1 363.505 3.344 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595074757 507379313 /nfs/dbraw/zinc/37/93/13/507379313.db2.gz WFYZJHYXKONKJZ-GMAHTHKFSA-N 2 1 361.489 3.292 20 30 FGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128677831 700778202 /nfs/dbraw/zinc/77/82/02/700778202.db2.gz JSUFESAOXNOCLD-GOSISDBHSA-N 2 1 365.949 3.496 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180489928 705742965 /nfs/dbraw/zinc/74/29/65/705742965.db2.gz XNPRQMKTJRFRRP-FUHWJXTLSA-N 2 1 351.535 3.262 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180490103 705743192 /nfs/dbraw/zinc/74/31/92/705743192.db2.gz GTCATBRRCVJGQC-AEFFLSMTSA-N 2 1 351.535 3.310 20 30 FGEDMP C[N@@H+](Cc1ccccc1CNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000303876287 713789403 /nfs/dbraw/zinc/78/94/03/713789403.db2.gz IBUHDZICRTYSLN-UHFFFAOYSA-N 2 1 360.571 3.315 20 30 FGEDMP FC1(F)[C@@H]2C[NH+](C[C@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531723 759143327 /nfs/dbraw/zinc/14/33/27/759143327.db2.gz SYTVTRFWTNPUAD-IVZWLZJFSA-N 2 1 366.296 3.089 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000577215728 505689892 /nfs/dbraw/zinc/68/98/92/505689892.db2.gz LBDNHQCYVOZNKC-UNMCSNQZSA-N 2 1 358.526 3.072 20 30 FGEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000121081647 494585759 /nfs/dbraw/zinc/58/57/59/494585759.db2.gz BOOAWOBIXQCEFL-LEWJYISDSA-N 2 1 355.526 3.218 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)C[C@H](C)O1 ZINC000121693220 494839370 /nfs/dbraw/zinc/83/93/70/494839370.db2.gz LNBVCIXJXIJBHZ-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000120149013 495316022 /nfs/dbraw/zinc/31/60/22/495316022.db2.gz YCKJBJGVLCDDSM-UHFFFAOYSA-N 2 1 374.492 3.214 20 30 FGEDMP CC1CC[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180035987 495831214 /nfs/dbraw/zinc/83/12/14/495831214.db2.gz OLGZXNCEFLDHMX-UHFFFAOYSA-N 2 1 351.498 3.170 20 30 FGEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180207530 495907346 /nfs/dbraw/zinc/90/73/46/495907346.db2.gz BONCZEMEMPKTNQ-GOSISDBHSA-N 2 1 351.498 3.122 20 30 FGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180207530 495907353 /nfs/dbraw/zinc/90/73/53/495907353.db2.gz BONCZEMEMPKTNQ-GOSISDBHSA-N 2 1 351.498 3.122 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000177513132 496092446 /nfs/dbraw/zinc/09/24/46/496092446.db2.gz QJXUCKWVXAMJGV-KDURUIRLSA-N 2 1 371.525 3.148 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000152936338 496300190 /nfs/dbraw/zinc/30/01/90/496300190.db2.gz SURKZCAAZJTNNN-AWEZNQCLSA-N 2 1 350.894 3.082 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000153018389 496327199 /nfs/dbraw/zinc/32/71/99/496327199.db2.gz NZNIZAOBDKFTSR-FQEVSTJZSA-N 2 1 373.541 3.235 20 30 FGEDMP CC1CC[NH+](CCCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181417837 496386926 /nfs/dbraw/zinc/38/69/26/496386926.db2.gz HOGGYCHCIVKEGU-UHFFFAOYSA-N 2 1 354.542 3.234 20 30 FGEDMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000277569204 496815699 /nfs/dbraw/zinc/81/56/99/496815699.db2.gz SMCFCPKGBPDINA-HXUWFJFHSA-N 2 1 351.498 3.380 20 30 FGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000277569204 496815702 /nfs/dbraw/zinc/81/57/02/496815702.db2.gz SMCFCPKGBPDINA-HXUWFJFHSA-N 2 1 351.498 3.380 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278835435 497238095 /nfs/dbraw/zinc/23/80/95/497238095.db2.gz AIQMEZFQTDGYJB-SFHVURJKSA-N 2 1 366.513 3.022 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278835435 497238100 /nfs/dbraw/zinc/23/81/00/497238100.db2.gz AIQMEZFQTDGYJB-SFHVURJKSA-N 2 1 366.513 3.022 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414299 497394435 /nfs/dbraw/zinc/39/44/35/497394435.db2.gz CESJQWQWRMTMAZ-KBXCAEBGSA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414299 497394438 /nfs/dbraw/zinc/39/44/38/497394438.db2.gz CESJQWQWRMTMAZ-KBXCAEBGSA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414299 497394442 /nfs/dbraw/zinc/39/44/42/497394442.db2.gz CESJQWQWRMTMAZ-KBXCAEBGSA-N 2 1 362.905 3.202 20 30 FGEDMP CCc1cccc(NC(=[NH2+])NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000267451707 497555606 /nfs/dbraw/zinc/55/56/06/497555606.db2.gz ROLVEBOQEBXANS-UHFFFAOYSA-N 2 1 369.513 3.493 20 30 FGEDMP N#Cc1cccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000312940282 498763557 /nfs/dbraw/zinc/76/35/57/498763557.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000312940282 498763567 /nfs/dbraw/zinc/76/35/67/498763567.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000312940282 498763574 /nfs/dbraw/zinc/76/35/74/498763574.db2.gz PMQWZWFBWZPFIO-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[N@H+]3CCCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000328753438 498926836 /nfs/dbraw/zinc/92/68/36/498926836.db2.gz DIBHCDKFZGEMQQ-INIZCTEOSA-N 2 1 359.518 3.283 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)CC2)nc(C)[nH+]1 ZINC000328753438 498926842 /nfs/dbraw/zinc/92/68/42/498926842.db2.gz DIBHCDKFZGEMQQ-INIZCTEOSA-N 2 1 359.518 3.283 20 30 FGEDMP CC[NH+](CC#CC[N@@H+](CC)CCc1nccs1)CCc1nccs1 ZINC000283929282 499014439 /nfs/dbraw/zinc/01/44/39/499014439.db2.gz COPRXOIHMUSWRO-UHFFFAOYSA-N 2 1 362.568 3.032 20 30 FGEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000372547146 499144513 /nfs/dbraw/zinc/14/45/13/499144513.db2.gz VJPLWPRKGDAQCT-UNMCSNQZSA-N 2 1 363.509 3.214 20 30 FGEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000372547146 499144515 /nfs/dbraw/zinc/14/45/15/499144515.db2.gz VJPLWPRKGDAQCT-UNMCSNQZSA-N 2 1 363.509 3.214 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000367321909 499181398 /nfs/dbraw/zinc/18/13/98/499181398.db2.gz LHBVFMYIMAWMRD-OAHLLOKOSA-N 2 1 361.453 3.042 20 30 FGEDMP C[NH+]1CCC([NH+]2CCC(CCNc3snc(Cl)c3C#N)CC2)CC1 ZINC000370318861 499209064 /nfs/dbraw/zinc/20/90/64/499209064.db2.gz VBVOLKGSVWUNCA-UHFFFAOYSA-N 2 1 367.950 3.276 20 30 FGEDMP N#Cc1ccc(OCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543698 /nfs/dbraw/zinc/54/36/98/499543698.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543700 /nfs/dbraw/zinc/54/37/00/499543700.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000380636610 499543702 /nfs/dbraw/zinc/54/37/02/499543702.db2.gz JMCFDBSAAXIVCD-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377407935 499687875 /nfs/dbraw/zinc/68/78/75/499687875.db2.gz CTDMVUCMINCBHD-YLJYHZDGSA-N 2 1 359.477 3.206 20 30 FGEDMP C[N@@H+](Cc1cccn1Cc1ccccc1C#N)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862762 499743109 /nfs/dbraw/zinc/74/31/09/499743109.db2.gz YTVIYYDLUPRHLD-SFHVURJKSA-N 2 1 359.477 3.299 20 30 FGEDMP C[N@H+](Cc1cccn1Cc1ccccc1C#N)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862762 499743111 /nfs/dbraw/zinc/74/31/11/499743111.db2.gz YTVIYYDLUPRHLD-SFHVURJKSA-N 2 1 359.477 3.299 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299448 502366262 /nfs/dbraw/zinc/36/62/62/502366262.db2.gz ZZIHMUJWVMWGQK-MSOLQXFVSA-N 2 1 368.525 3.102 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540910769 503935626 /nfs/dbraw/zinc/93/56/26/503935626.db2.gz BPKFRGFYUSUXJS-OAQYLSRUSA-N 2 1 368.525 3.106 20 30 FGEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC000520201299 504434041 /nfs/dbraw/zinc/43/40/41/504434041.db2.gz IVDOILGXSZCARB-IBGZPJMESA-N 2 1 364.578 3.201 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000599657762 506558121 /nfs/dbraw/zinc/55/81/21/506558121.db2.gz LLZLMMUQLMFOFD-LAUBAEHRSA-N 2 1 358.530 3.013 20 30 FGEDMP CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662032 506561615 /nfs/dbraw/zinc/56/16/15/506561615.db2.gz WPSKCVMVZDRQJS-UHFFFAOYSA-N 2 1 368.481 3.290 20 30 FGEDMP CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662032 506561624 /nfs/dbraw/zinc/56/16/24/506561624.db2.gz WPSKCVMVZDRQJS-UHFFFAOYSA-N 2 1 368.481 3.290 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440527 507133136 /nfs/dbraw/zinc/13/31/36/507133136.db2.gz DWDLYFUOPKQPJM-YLJYHZDGSA-N 2 1 356.514 3.088 20 30 FGEDMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N)C1CCCCC1 ZINC000594441311 507135219 /nfs/dbraw/zinc/13/52/19/507135219.db2.gz QTBHQMRQUQOIKT-OAQYLSRUSA-N 2 1 370.541 3.479 20 30 FGEDMP [NH2+]=C(NCCc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303894031 713789910 /nfs/dbraw/zinc/78/99/10/713789910.db2.gz SIEMLABWYIKWJW-GOSISDBHSA-N 2 1 356.539 3.107 20 30 FGEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965533 494293364 /nfs/dbraw/zinc/29/33/64/494293364.db2.gz PJNSMYLPQZFRTG-AZUAARDMSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965533 494293368 /nfs/dbraw/zinc/29/33/68/494293368.db2.gz PJNSMYLPQZFRTG-AZUAARDMSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965533 494293371 /nfs/dbraw/zinc/29/33/71/494293371.db2.gz PJNSMYLPQZFRTG-AZUAARDMSA-N 2 1 368.525 3.473 20 30 FGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000577564160 505752924 /nfs/dbraw/zinc/75/29/24/505752924.db2.gz WJKCWGBFVUFQEN-OAHLLOKOSA-N 2 1 367.415 3.168 20 30 FGEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335790 495297652 /nfs/dbraw/zinc/29/76/52/495297652.db2.gz NEWBLGIJLKXSTH-QGZVFWFLSA-N 2 1 362.481 3.395 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000106035467 495405736 /nfs/dbraw/zinc/40/57/36/495405736.db2.gz MHRLILGXDYHSJF-UHFFFAOYSA-N 2 1 355.526 3.441 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752676 495710790 /nfs/dbraw/zinc/71/07/90/495710790.db2.gz QIAPNFYFYDKOOX-SOLBZPMBSA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752676 495710794 /nfs/dbraw/zinc/71/07/94/495710794.db2.gz QIAPNFYFYDKOOX-SOLBZPMBSA-N 2 1 354.498 3.128 20 30 FGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151380431 495821271 /nfs/dbraw/zinc/82/12/71/495821271.db2.gz GQUNCKGOWKBGRD-MRXNPFEDSA-N 2 1 352.906 3.315 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179252655 496721277 /nfs/dbraw/zinc/72/12/77/496721277.db2.gz GUEAVWOMMPJAIM-GUYCJALGSA-N 2 1 361.852 3.294 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](CCCOC)CC2)ccc1OC ZINC000263817688 496734150 /nfs/dbraw/zinc/73/41/50/496734150.db2.gz WOIGUMRKTSIVNF-UHFFFAOYSA-N 2 1 362.514 3.241 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000189949832 497303947 /nfs/dbraw/zinc/30/39/47/497303947.db2.gz FZXNIYWCHOHHFU-RSUKUSEWSA-N 2 1 363.505 3.338 20 30 FGEDMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000360094967 498245731 /nfs/dbraw/zinc/24/57/31/498245731.db2.gz BSMYQZILWLVQMP-HNAYVOBHSA-N 2 1 351.479 3.050 20 30 FGEDMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000360094968 498246433 /nfs/dbraw/zinc/24/64/33/498246433.db2.gz BSMYQZILWLVQMP-KXBFYZLASA-N 2 1 351.479 3.050 20 30 FGEDMP N#Cc1ccc2ncc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)n2c1 ZINC000370140277 499186701 /nfs/dbraw/zinc/18/67/01/499186701.db2.gz LMOBGLZLGJAHOF-KRWDZBQOSA-N 2 1 360.465 3.118 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342839 499393508 /nfs/dbraw/zinc/39/35/08/499393508.db2.gz KSJDLWGQZUNEAS-COPCDDAFSA-N 2 1 370.541 3.015 20 30 FGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377705918 499722956 /nfs/dbraw/zinc/72/29/56/499722956.db2.gz ZYRPESBAIPLIHL-QGZVFWFLSA-N 2 1 350.466 3.473 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411553082 499754005 /nfs/dbraw/zinc/75/40/05/499754005.db2.gz QOKMEAUKFRSLBL-OKZBNKHCSA-N 2 1 374.554 3.215 20 30 FGEDMP C=CCOc1cccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421366048 500029065 /nfs/dbraw/zinc/02/90/65/500029065.db2.gz CDCWVGITUMPWIQ-UHFFFAOYSA-N 2 1 357.542 3.243 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423012655 500331027 /nfs/dbraw/zinc/33/10/27/500331027.db2.gz DKFKAINLHIPDEG-ZRBLBEILSA-N 2 1 361.489 3.472 20 30 FGEDMP Cc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)ccc1C#N ZINC000443982354 500786849 /nfs/dbraw/zinc/78/68/49/500786849.db2.gz QCMQUJWVOIMOAI-HSZRJFAPSA-N 2 1 362.521 3.335 20 30 FGEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229930 500820757 /nfs/dbraw/zinc/82/07/57/500820757.db2.gz XVLXKYCXKLHKQP-HOTGVXAUSA-N 2 1 360.527 3.045 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000596148053 506279950 /nfs/dbraw/zinc/27/99/50/506279950.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000596148053 506279956 /nfs/dbraw/zinc/27/99/56/506279956.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000596148053 506279958 /nfs/dbraw/zinc/27/99/58/506279958.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@@H](C)C2)[nH+]1 ZINC000596148053 506279964 /nfs/dbraw/zinc/27/99/64/506279964.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@@H](C)C2)[nH+]1 ZINC000596148053 506279968 /nfs/dbraw/zinc/27/99/68/506279968.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000596148053 506279972 /nfs/dbraw/zinc/27/99/72/506279972.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000596148053 506279978 /nfs/dbraw/zinc/27/99/78/506279978.db2.gz YRAJCWNPSCLAAS-XMTFNYHQSA-N 3 1 370.545 3.051 20 30 FGEDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481921922 501918972 /nfs/dbraw/zinc/91/89/72/501918972.db2.gz MSTHNCMXZHOHRE-JOCHJYFZSA-N 2 1 354.542 3.189 20 30 FGEDMP C[N@@H+](CCOc1ccc(C#N)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501081179 502931303 /nfs/dbraw/zinc/93/13/03/502931303.db2.gz PELAMZGOPZHFKG-UHFFFAOYSA-N 2 1 350.466 3.180 20 30 FGEDMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000546757467 503866812 /nfs/dbraw/zinc/86/68/12/503866812.db2.gz ZLVIYJQDNBHHKJ-UHFFFAOYSA-N 2 1 350.466 3.499 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000566107574 505083264 /nfs/dbraw/zinc/08/32/64/505083264.db2.gz NRZPHYVSDLKDIQ-FQEVSTJZSA-N 2 1 360.542 3.272 20 30 FGEDMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000583488088 506807129 /nfs/dbraw/zinc/80/71/29/506807129.db2.gz MINVNQQFRCQAQD-UHFFFAOYSA-N 2 1 374.492 3.123 20 30 FGEDMP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000594440883 507134571 /nfs/dbraw/zinc/13/45/71/507134571.db2.gz IXBBTELOOZLJHM-MISYRCLQSA-N 2 1 356.514 3.082 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440981 507135067 /nfs/dbraw/zinc/13/50/67/507135067.db2.gz KIPPFECLZNSZIJ-UEXGIBASSA-N 2 1 370.541 3.192 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073192 507379569 /nfs/dbraw/zinc/37/95/69/507379569.db2.gz SYGVWVVBMGFWIZ-BEFAXECRSA-N 2 1 353.441 3.115 20 30 FGEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614163003 507389902 /nfs/dbraw/zinc/38/99/02/507389902.db2.gz QFXXLHOWXFIJRY-BGYRXZFFSA-N 2 1 368.569 3.478 20 30 FGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614163003 507389907 /nfs/dbraw/zinc/38/99/07/507389907.db2.gz QFXXLHOWXFIJRY-BGYRXZFFSA-N 2 1 368.569 3.478 20 30 FGEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611391164 507659133 /nfs/dbraw/zinc/65/91/33/507659133.db2.gz XVXJKKUFDFGXSM-DEOSSOPVSA-N 2 1 374.532 3.473 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896732 507732193 /nfs/dbraw/zinc/73/21/93/507732193.db2.gz WKLZREBTHCDWFC-LZLYRXPVSA-N 2 1 367.415 3.295 20 30 FGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000602520145 507736487 /nfs/dbraw/zinc/73/64/87/507736487.db2.gz FNNWQQRXWRVXSR-RBUKOAKNSA-N 2 1 371.525 3.096 20 30 FGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000602520145 507736494 /nfs/dbraw/zinc/73/64/94/507736494.db2.gz FNNWQQRXWRVXSR-RBUKOAKNSA-N 2 1 371.525 3.096 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195198855 713548675 /nfs/dbraw/zinc/54/86/75/713548675.db2.gz IOMSHCXDHCMYJN-HXUWFJFHSA-N 2 1 351.535 3.264 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865453508 733204215 /nfs/dbraw/zinc/20/42/15/733204215.db2.gz FOJGAOZWVMHUGN-CQSZACIVSA-N 2 1 365.440 3.072 20 30 FGEDMP FC1(F)[C@@H]2C[NH+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531725 759143627 /nfs/dbraw/zinc/14/36/27/759143627.db2.gz SYTVTRFWTNPUAD-OPRDCNLKSA-N 2 1 366.296 3.089 20 30 FGEDMP C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000077202593 494032803 /nfs/dbraw/zinc/03/28/03/494032803.db2.gz UJIGKZPXDQIHOX-LJQANCHMSA-N 2 1 374.529 3.131 20 30 FGEDMP C=C(C)C[NH+]1CCC(NCc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000088716141 494256693 /nfs/dbraw/zinc/25/66/93/494256693.db2.gz ZSASGQGLNYWSBT-UHFFFAOYSA-N 2 1 370.585 3.349 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112631534 495215005 /nfs/dbraw/zinc/21/50/05/495215005.db2.gz WEWLHXQLIGYVJT-KRWDZBQOSA-N 2 1 356.514 3.329 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136866064 495406708 /nfs/dbraw/zinc/40/67/08/495406708.db2.gz JUDPERCFPCLDDG-PKOBYXMFSA-N 2 1 366.509 3.470 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1Cl ZINC000154168450 495533195 /nfs/dbraw/zinc/53/31/95/495533195.db2.gz IWQPJKLPWBMEFR-QGZVFWFLSA-N 2 1 370.840 3.089 20 30 FGEDMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053482 495839238 /nfs/dbraw/zinc/83/92/38/495839238.db2.gz VYQJMKYXNYFORN-ROUUACIJSA-N 2 1 365.525 3.416 20 30 FGEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387631 495850372 /nfs/dbraw/zinc/85/03/72/495850372.db2.gz CGBOJWOJJZPCKA-LJQANCHMSA-N 2 1 368.525 3.130 20 30 FGEDMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388285 495850764 /nfs/dbraw/zinc/85/07/64/495850764.db2.gz QYLPPAIREMOYBG-HNNXBMFYSA-N 2 1 374.916 3.346 20 30 FGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000574611990 505813916 /nfs/dbraw/zinc/81/39/16/505813916.db2.gz RFGBGHPOHKNAFB-GGAORHGYSA-N 2 1 361.489 3.292 20 30 FGEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177500788 496087636 /nfs/dbraw/zinc/08/76/36/496087636.db2.gz KHZAASFGBDIAMN-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177500788 496087639 /nfs/dbraw/zinc/08/76/39/496087639.db2.gz KHZAASFGBDIAMN-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000152936450 496299748 /nfs/dbraw/zinc/29/97/48/496299748.db2.gz SURKZCAAZJTNNN-CQSZACIVSA-N 2 1 350.894 3.082 20 30 FGEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)nc(C)[nH+]1 ZINC000178615409 496516523 /nfs/dbraw/zinc/51/65/23/496516523.db2.gz JFOZMROLUBZZLU-MRXNPFEDSA-N 2 1 365.481 3.143 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418824 497435077 /nfs/dbraw/zinc/43/50/77/497435077.db2.gz OSBIAFXCFLYMQH-YLJYHZDGSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418824 497435084 /nfs/dbraw/zinc/43/50/84/497435084.db2.gz OSBIAFXCFLYMQH-YLJYHZDGSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418824 497435090 /nfs/dbraw/zinc/43/50/90/497435090.db2.gz OSBIAFXCFLYMQH-YLJYHZDGSA-N 2 1 366.513 3.021 20 30 FGEDMP C[C@H]([NH2+]CC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)COC1)c1ccc(C#N)cc1 ZINC000272874254 497750858 /nfs/dbraw/zinc/75/08/58/497750858.db2.gz BEKVOPJIDBCXRP-ROUUACIJSA-N 2 1 374.488 3.448 20 30 FGEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000330233311 498071616 /nfs/dbraw/zinc/07/16/16/498071616.db2.gz XUOLGZXQHGHYCK-SFHVURJKSA-N 2 1 361.534 3.225 20 30 FGEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996289 498227952 /nfs/dbraw/zinc/22/79/52/498227952.db2.gz OLDDESHXHJLEJN-SIKLNZKXSA-N 2 1 368.525 3.048 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328976879 499004146 /nfs/dbraw/zinc/00/41/46/499004146.db2.gz BWBSINXUVLOIPH-FUHIMQAGSA-N 2 1 361.534 3.024 20 30 FGEDMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328976879 499004152 /nfs/dbraw/zinc/00/41/52/499004152.db2.gz BWBSINXUVLOIPH-FUHIMQAGSA-N 2 1 361.534 3.024 20 30 FGEDMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000328976879 499004156 /nfs/dbraw/zinc/00/41/56/499004156.db2.gz BWBSINXUVLOIPH-FUHIMQAGSA-N 2 1 361.534 3.024 20 30 FGEDMP CN(CC[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000582154070 506145198 /nfs/dbraw/zinc/14/51/98/506145198.db2.gz ZZYVQBOYLITBHQ-UHFFFAOYSA-N 2 1 368.447 3.035 20 30 FGEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000582154070 506145200 /nfs/dbraw/zinc/14/52/00/506145200.db2.gz ZZYVQBOYLITBHQ-UHFFFAOYSA-N 2 1 368.447 3.035 20 30 FGEDMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420303486 500437345 /nfs/dbraw/zinc/43/73/45/500437345.db2.gz NNTGWEJAPBQSJT-GOSISDBHSA-N 2 1 355.438 3.334 20 30 FGEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420303486 500437348 /nfs/dbraw/zinc/43/73/48/500437348.db2.gz NNTGWEJAPBQSJT-GOSISDBHSA-N 2 1 355.438 3.334 20 30 FGEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000444685566 500878774 /nfs/dbraw/zinc/87/87/74/500878774.db2.gz ALSMNINTODWDTC-OALUTQOASA-N 2 1 365.562 3.297 20 30 FGEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000596058103 506233007 /nfs/dbraw/zinc/23/30/07/506233007.db2.gz CUCPFRQQSYRPLM-QFIPXVFZSA-N 2 1 366.553 3.234 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000611622475 506232984 /nfs/dbraw/zinc/23/29/84/506232984.db2.gz LHLTUARJGOYJNC-GGAORHGYSA-N 2 1 361.489 3.292 20 30 FGEDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000598993371 506266671 /nfs/dbraw/zinc/26/66/71/506266671.db2.gz ANQIWJFYSLZSMP-GOSISDBHSA-N 2 1 351.498 3.285 20 30 FGEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000488358472 502692694 /nfs/dbraw/zinc/69/26/94/502692694.db2.gz HWQCCALGFDQZCN-UHFFFAOYSA-N 2 1 362.905 3.204 20 30 FGEDMP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481067379 502746604 /nfs/dbraw/zinc/74/66/04/502746604.db2.gz BAIKBKVNWLAQHB-MRXNPFEDSA-N 2 1 374.554 3.150 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489677721 503008778 /nfs/dbraw/zinc/00/87/78/503008778.db2.gz LOTVOFGSKMDLQI-HXUWFJFHSA-N 2 1 369.553 3.420 20 30 FGEDMP C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000533295902 503795335 /nfs/dbraw/zinc/79/53/35/503795335.db2.gz NDKHOHANLKFGBS-IRXDYDNUSA-N 2 1 374.554 3.150 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)C[C@H](C)O1 ZINC000530939622 504136886 /nfs/dbraw/zinc/13/68/86/504136886.db2.gz HGNJSPOLCZMIAX-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C=C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000534645195 504201887 /nfs/dbraw/zinc/20/18/87/504201887.db2.gz RDNFMAWOUJFKDK-QGZVFWFLSA-N 2 1 350.466 3.132 20 30 FGEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548717103 504539613 /nfs/dbraw/zinc/53/96/13/504539613.db2.gz VETORADBSMGWPY-UHFFFAOYSA-N 2 1 370.541 3.103 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550156753 504980893 /nfs/dbraw/zinc/98/08/93/504980893.db2.gz HEEKYKYVQXQWHN-QGZVFWFLSA-N 2 1 374.492 3.265 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550156753 504980896 /nfs/dbraw/zinc/98/08/96/504980896.db2.gz HEEKYKYVQXQWHN-QGZVFWFLSA-N 2 1 374.492 3.265 20 30 FGEDMP CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029873 506764808 /nfs/dbraw/zinc/76/48/08/506764808.db2.gz ZRLOXCZRVOMKSN-UHFFFAOYSA-N 2 1 364.493 3.471 20 30 FGEDMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594440237 507132757 /nfs/dbraw/zinc/13/27/57/507132757.db2.gz ALUUMGGTWDMKEK-GOSISDBHSA-N 2 1 353.470 3.405 20 30 FGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000594919568 507315356 /nfs/dbraw/zinc/31/53/56/507315356.db2.gz BNAPEXCSIOFFRG-WIYYLYMNSA-N 2 1 355.526 3.468 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595074755 507379692 /nfs/dbraw/zinc/37/96/92/507379692.db2.gz WFYZJHYXKONKJZ-FYYLOGMGSA-N 2 1 361.489 3.292 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896148 507732479 /nfs/dbraw/zinc/73/24/79/507732479.db2.gz HAVXCSMWPCRNSU-NXHRZFHOSA-N 2 1 367.415 3.438 20 30 FGEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000118161334 700607772 /nfs/dbraw/zinc/60/77/72/700607772.db2.gz IOIKAZUGEXJCOY-ZBFHGGJFSA-N 2 1 354.420 3.179 20 30 FGEDMP C=CC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662663476 720450440 /nfs/dbraw/zinc/45/04/40/720450440.db2.gz HSNNTHIUOINTAT-UYAOXDASSA-N 2 1 361.917 3.291 20 30 FGEDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCSCC#N)C2)ccn1 ZINC000856600247 732040738 /nfs/dbraw/zinc/04/07/38/732040738.db2.gz RVRSAVSBFYSYME-IBGZPJMESA-N 2 1 362.543 3.022 20 30 FGEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCSCC#N)C2)ccn1 ZINC000856600247 732040742 /nfs/dbraw/zinc/04/07/42/732040742.db2.gz RVRSAVSBFYSYME-IBGZPJMESA-N 2 1 362.543 3.022 20 30 FGEDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCSCC#N)C2)ccn1 ZINC000856600247 732040743 /nfs/dbraw/zinc/04/07/43/732040743.db2.gz RVRSAVSBFYSYME-IBGZPJMESA-N 2 1 362.543 3.022 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000576696753 505573170 /nfs/dbraw/zinc/57/31/70/505573170.db2.gz POJSVXJCBAWNFD-UHFFFAOYSA-N 2 1 366.303 3.018 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094955 493831214 /nfs/dbraw/zinc/83/12/14/493831214.db2.gz CESJQWQWRMTMAZ-RDTXWAMCSA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094955 493831220 /nfs/dbraw/zinc/83/12/20/493831220.db2.gz CESJQWQWRMTMAZ-RDTXWAMCSA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094955 493831227 /nfs/dbraw/zinc/83/12/27/493831227.db2.gz CESJQWQWRMTMAZ-RDTXWAMCSA-N 2 1 362.905 3.202 20 30 FGEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564589 493837417 /nfs/dbraw/zinc/83/74/17/493837417.db2.gz DJWMJPYWMOYEDE-GHTZIAJQSA-N 2 1 362.562 3.017 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000122058296 494916879 /nfs/dbraw/zinc/91/68/79/494916879.db2.gz RYCKCFAIXOZFOO-UHFFFAOYSA-N 2 1 359.514 3.137 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000104154295 495270334 /nfs/dbraw/zinc/27/03/34/495270334.db2.gz GQUHWRRECBXBOY-INIZCTEOSA-N 2 1 372.469 3.251 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000104180747 495270728 /nfs/dbraw/zinc/27/07/28/495270728.db2.gz WGMMZBMSERDIFA-OAHLLOKOSA-N 2 1 358.511 3.396 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000106034055 495405292 /nfs/dbraw/zinc/40/52/92/495405292.db2.gz ZCPPNIBPAKNDGR-IBGZPJMESA-N 2 1 373.516 3.194 20 30 FGEDMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000185811522 495734217 /nfs/dbraw/zinc/73/42/17/495734217.db2.gz ZKLKWVIXWCHTQH-ICSRJNTNSA-N 2 1 371.525 3.348 20 30 FGEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000574611992 505814019 /nfs/dbraw/zinc/81/40/19/505814019.db2.gz RFGBGHPOHKNAFB-GMAHTHKFSA-N 2 1 361.489 3.292 20 30 FGEDMP COc1ccc(C#N)cc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155915186 496105698 /nfs/dbraw/zinc/10/56/98/496105698.db2.gz LUUDUORUZZWWNB-HDICACEKSA-N 2 1 371.525 3.278 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000181502459 496421745 /nfs/dbraw/zinc/42/17/45/496421745.db2.gz MMEFPAZRCGBGNN-MOPGFXCFSA-N 2 1 354.542 3.233 20 30 FGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045571 496647881 /nfs/dbraw/zinc/64/78/81/496647881.db2.gz KNXYQGCKCSKFCK-QFIPXVFZSA-N 2 1 368.569 3.480 20 30 FGEDMP CC(C)C[N@@H+]1CCC[C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045571 496647888 /nfs/dbraw/zinc/64/78/88/496647888.db2.gz KNXYQGCKCSKFCK-QFIPXVFZSA-N 2 1 368.569 3.480 20 30 FGEDMP CC(C)C[N@H+]1CCC[C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045571 496647893 /nfs/dbraw/zinc/64/78/93/496647893.db2.gz KNXYQGCKCSKFCK-QFIPXVFZSA-N 2 1 368.569 3.480 20 30 FGEDMP CCCn1ccnc1CCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191473084 496775044 /nfs/dbraw/zinc/77/50/44/496775044.db2.gz DHUJZLOFGOZYTN-UHFFFAOYSA-N 2 1 353.470 3.058 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191473084 496775047 /nfs/dbraw/zinc/77/50/47/496775047.db2.gz DHUJZLOFGOZYTN-UHFFFAOYSA-N 2 1 353.470 3.058 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000191473084 496775050 /nfs/dbraw/zinc/77/50/50/496775050.db2.gz DHUJZLOFGOZYTN-UHFFFAOYSA-N 2 1 353.470 3.058 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278726477 497201641 /nfs/dbraw/zinc/20/16/41/497201641.db2.gz TYXITMLPVJZUID-GOSISDBHSA-N 2 1 366.513 3.213 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278726477 497201644 /nfs/dbraw/zinc/20/16/44/497201644.db2.gz TYXITMLPVJZUID-GOSISDBHSA-N 2 1 366.513 3.213 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936058 497578897 /nfs/dbraw/zinc/57/88/97/497578897.db2.gz JCKLUZZFLPFKDQ-JXFKEZNVSA-N 2 1 351.498 3.121 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936058 497578901 /nfs/dbraw/zinc/57/89/01/497578901.db2.gz JCKLUZZFLPFKDQ-JXFKEZNVSA-N 2 1 351.498 3.121 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936058 497578905 /nfs/dbraw/zinc/57/89/05/497578905.db2.gz JCKLUZZFLPFKDQ-JXFKEZNVSA-N 2 1 351.498 3.121 20 30 FGEDMP N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000312856527 498763673 /nfs/dbraw/zinc/76/36/73/498763673.db2.gz GYFASLGFVKNTNM-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000312856527 498763679 /nfs/dbraw/zinc/76/36/79/498763679.db2.gz GYFASLGFVKNTNM-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312856527 498763686 /nfs/dbraw/zinc/76/36/86/498763686.db2.gz GYFASLGFVKNTNM-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312856527 498763691 /nfs/dbraw/zinc/76/36/91/498763691.db2.gz GYFASLGFVKNTNM-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884450 499105528 /nfs/dbraw/zinc/10/55/28/499105528.db2.gz NSPILRAONXMGFT-LJQANCHMSA-N 2 1 368.525 3.130 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000371623715 499348263 /nfs/dbraw/zinc/34/82/63/499348263.db2.gz DLYSBVGUOKYYLQ-INIZCTEOSA-N 2 1 373.460 3.019 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000369485537 499407994 /nfs/dbraw/zinc/40/79/94/499407994.db2.gz HZXODJWJFJPROI-FQEVSTJZSA-N 2 1 359.477 3.208 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000369485537 499407996 /nfs/dbraw/zinc/40/79/96/499407996.db2.gz HZXODJWJFJPROI-FQEVSTJZSA-N 2 1 359.477 3.208 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414953901 499848168 /nfs/dbraw/zinc/84/81/68/499848168.db2.gz SATGDEILNJFZKF-GXTWGEPZSA-N 2 1 369.303 3.253 20 30 FGEDMP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570417204 506163904 /nfs/dbraw/zinc/16/39/04/506163904.db2.gz UBUJVSCLPAEDLY-MOPGFXCFSA-N 2 1 374.554 3.029 20 30 FGEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)c(F)c3)c2)CCO1 ZINC000421319903 500016293 /nfs/dbraw/zinc/01/62/93/500016293.db2.gz BFGKHURSIZLFDL-INIZCTEOSA-N 2 1 353.441 3.208 20 30 FGEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)c(F)c3)c2)CCO1 ZINC000421319903 500016297 /nfs/dbraw/zinc/01/62/97/500016297.db2.gz BFGKHURSIZLFDL-INIZCTEOSA-N 2 1 353.441 3.208 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446828379 501169137 /nfs/dbraw/zinc/16/91/37/501169137.db2.gz UCZNWMHIZFFYDB-OAQYLSRUSA-N 2 1 369.513 3.048 20 30 FGEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677996 506258483 /nfs/dbraw/zinc/25/84/83/506258483.db2.gz ZAMXJNYAKMTOBE-FPOVZHCZSA-N 2 1 355.526 3.445 20 30 FGEDMP C=CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000460381304 501810066 /nfs/dbraw/zinc/81/00/66/501810066.db2.gz QXJQOIXUJIGPTR-OAQYLSRUSA-N 2 1 351.494 3.094 20 30 FGEDMP C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000460381304 501810067 /nfs/dbraw/zinc/81/00/67/501810067.db2.gz QXJQOIXUJIGPTR-OAQYLSRUSA-N 2 1 351.494 3.094 20 30 FGEDMP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481067378 502745263 /nfs/dbraw/zinc/74/52/63/502745263.db2.gz BAIKBKVNWLAQHB-INIZCTEOSA-N 2 1 374.554 3.150 20 30 FGEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000502695942 503253532 /nfs/dbraw/zinc/25/35/32/503253532.db2.gz ZZMHXXHKAUIAGV-KRWDZBQOSA-N 2 1 365.485 3.197 20 30 FGEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000502695942 503253537 /nfs/dbraw/zinc/25/35/37/503253537.db2.gz ZZMHXXHKAUIAGV-KRWDZBQOSA-N 2 1 365.485 3.197 20 30 FGEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511874591 503405790 /nfs/dbraw/zinc/40/57/90/503405790.db2.gz NBXJBLBHEVGMCE-FQEVSTJZSA-N 2 1 362.521 3.369 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000517557141 503770299 /nfs/dbraw/zinc/77/02/99/503770299.db2.gz YSWONBSQGALUMS-QGZVFWFLSA-N 2 1 372.431 3.075 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000537994553 504106239 /nfs/dbraw/zinc/10/62/39/504106239.db2.gz GJDVCWSVONPUHU-NRFANRHFSA-N 2 1 364.578 3.121 20 30 FGEDMP N#Cc1cnn2cc(C[NH2+]Cc3ccccc3C[NH+]3CCCCCC3)cnc12 ZINC000567895436 505570353 /nfs/dbraw/zinc/57/03/53/505570353.db2.gz IJULPANQLXILSQ-UHFFFAOYSA-N 2 1 374.492 3.267 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000599659834 506559889 /nfs/dbraw/zinc/55/98/89/506559889.db2.gz KKMLQRNUGXYRHK-QGZVFWFLSA-N 2 1 364.493 3.469 20 30 FGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594441529 507135995 /nfs/dbraw/zinc/13/59/95/507135995.db2.gz SJMUTTFEHKFXGB-PXNSSMCTSA-N 2 1 356.514 3.088 20 30 FGEDMP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000594974191 507338224 /nfs/dbraw/zinc/33/82/24/507338224.db2.gz HMYMRCQIIMIAJJ-QFIPXVFZSA-N 2 1 363.505 3.344 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000595074758 507379199 /nfs/dbraw/zinc/37/91/99/507379199.db2.gz WFYZJHYXKONKJZ-JTHBVZDNSA-N 2 1 361.489 3.292 20 30 FGEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000303872216 713789562 /nfs/dbraw/zinc/78/95/62/713789562.db2.gz BWWYNFIFBBYTGJ-CHWSQXEVSA-N 2 1 358.408 3.432 20 30 FGEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000305240051 713792992 /nfs/dbraw/zinc/79/29/92/713792992.db2.gz QRBJBMKSFIRDAX-CHWSQXEVSA-N 2 1 358.408 3.432 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C#N)s3)CC2)CC1 ZINC000374286659 713910484 /nfs/dbraw/zinc/91/04/84/713910484.db2.gz YYAOGXQWMQNDEK-UHFFFAOYSA-N 3 1 360.571 3.248 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760220 717599693 /nfs/dbraw/zinc/59/96/93/717599693.db2.gz UJIWIAWMIQKQJR-UHFFFAOYSA-N 2 1 359.539 3.321 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760220 717599705 /nfs/dbraw/zinc/59/97/05/717599705.db2.gz UJIWIAWMIQKQJR-UHFFFAOYSA-N 2 1 359.539 3.321 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000772879868 723770454 /nfs/dbraw/zinc/77/04/54/723770454.db2.gz OFBRAZLJEDBTCO-RDJZCZTQSA-N 2 1 358.473 3.374 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000772879873 723770578 /nfs/dbraw/zinc/77/05/78/723770578.db2.gz OFBRAZLJEDBTCO-WBVHZDCISA-N 2 1 358.473 3.374 20 30 FGEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079331 731226722 /nfs/dbraw/zinc/22/67/22/731226722.db2.gz IOIKAZUGEXJCOY-GOEBONIOSA-N 2 1 354.420 3.388 20 30 FGEDMP CCC[N@H+]1CC[C@@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912505929 757341115 /nfs/dbraw/zinc/34/11/15/757341115.db2.gz JVXKAMKTHRSCHN-INIZCTEOSA-N 2 1 350.576 3.356 20 30 FGEDMP C=C(Cl)C[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961370430 762747247 /nfs/dbraw/zinc/74/72/47/762747247.db2.gz CPPBACOKTXRKJX-BHIYHBOVSA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370430 762747255 /nfs/dbraw/zinc/74/72/55/762747255.db2.gz CPPBACOKTXRKJX-BHIYHBOVSA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370430 762747260 /nfs/dbraw/zinc/74/72/60/762747260.db2.gz CPPBACOKTXRKJX-BHIYHBOVSA-N 2 1 367.965 3.030 20 30 FGEDMP CCC[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000072727087 494241699 /nfs/dbraw/zinc/24/16/99/494241699.db2.gz ARWJZSVZUWNJAO-UHFFFAOYSA-N 2 1 351.498 3.428 20 30 FGEDMP N#Cc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121603339 494817875 /nfs/dbraw/zinc/81/78/75/494817875.db2.gz ZAQMZOGRFXJHQT-UHFFFAOYSA-N 2 1 354.498 3.085 20 30 FGEDMP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000111412346 495071960 /nfs/dbraw/zinc/07/19/60/495071960.db2.gz LHWNPSAOTLGHJQ-UHFFFAOYSA-N 2 1 367.493 3.305 20 30 FGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000112648741 495217473 /nfs/dbraw/zinc/21/74/73/495217473.db2.gz DDVUAPZYUTZZTN-FQEVSTJZSA-N 2 1 368.525 3.331 20 30 FGEDMP C[N@@H+](CCCn1ccnc1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000124373908 495276912 /nfs/dbraw/zinc/27/69/12/495276912.db2.gz WUHYQXAKPILVJK-UHFFFAOYSA-N 2 1 371.510 3.046 20 30 FGEDMP COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694894 495684233 /nfs/dbraw/zinc/68/42/33/495684233.db2.gz LMLQPQVGJBTMRD-AEFFLSMTSA-N 2 1 357.498 3.188 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185727865 495699896 /nfs/dbraw/zinc/69/98/96/495699896.db2.gz FNPWONKKGLIBNE-GOEBONIOSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727865 495699901 /nfs/dbraw/zinc/69/99/01/495699901.db2.gz FNPWONKKGLIBNE-GOEBONIOSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(C#N)c1 ZINC000185752693 495711770 /nfs/dbraw/zinc/71/17/70/495711770.db2.gz QIAPNFYFYDKOOX-BQFCYCMXSA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(C#N)c1 ZINC000185752693 495711772 /nfs/dbraw/zinc/71/17/72/495711772.db2.gz QIAPNFYFYDKOOX-BQFCYCMXSA-N 2 1 354.498 3.128 20 30 FGEDMP CN(CCC#N)C[C@@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000577859663 505806962 /nfs/dbraw/zinc/80/69/62/505806962.db2.gz GSHKRGWLIMIKDS-FQEVSTJZSA-N 2 1 358.530 3.069 20 30 FGEDMP COc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1C#N ZINC000174382519 495934494 /nfs/dbraw/zinc/93/44/94/495934494.db2.gz BWSXOECTSNPVRW-UHFFFAOYSA-N 2 1 368.481 3.174 20 30 FGEDMP C[C@@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCCCC1 ZINC000278782989 497219974 /nfs/dbraw/zinc/21/99/74/497219974.db2.gz ZKSLTWWZOSEPEQ-SFHVURJKSA-N 2 1 366.513 3.213 20 30 FGEDMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000330233310 498071119 /nfs/dbraw/zinc/07/11/19/498071119.db2.gz XUOLGZXQHGHYCK-GOSISDBHSA-N 2 1 361.534 3.225 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000305071180 498734947 /nfs/dbraw/zinc/73/49/47/498734947.db2.gz TVQIVAPNESYERZ-IBGZPJMESA-N 2 1 366.509 3.124 20 30 FGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439192 499199008 /nfs/dbraw/zinc/19/90/08/499199008.db2.gz SAQANBNBKNUHSD-UWJYYQICSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439192 499199009 /nfs/dbraw/zinc/19/90/09/499199009.db2.gz SAQANBNBKNUHSD-UWJYYQICSA-N 2 1 359.477 3.206 20 30 FGEDMP CC(C)(CCC#N)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367674813 499223812 /nfs/dbraw/zinc/22/38/12/499223812.db2.gz WHNACLMQXDDNRL-OAQYLSRUSA-N 2 1 354.542 3.208 20 30 FGEDMP C=CCCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376881434 499643352 /nfs/dbraw/zinc/64/33/52/499643352.db2.gz CICQBMDCYPIAMG-UHFFFAOYSA-N 2 1 364.578 3.180 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCC2)cc1OCC ZINC000414875828 499840396 /nfs/dbraw/zinc/84/03/96/499840396.db2.gz CISCBHIRIMWIJA-UHFFFAOYSA-N 2 1 369.303 3.384 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000448462147 500761880 /nfs/dbraw/zinc/76/18/80/500761880.db2.gz QXCCCJHOYNKWAE-HSALFYBXSA-N 2 1 364.578 3.057 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000449120169 500929674 /nfs/dbraw/zinc/92/96/74/500929674.db2.gz CBXLEMWJQHRLSU-UHFFFAOYSA-N 2 1 370.278 3.421 20 30 FGEDMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916253 501917504 /nfs/dbraw/zinc/91/75/04/501917504.db2.gz NHYJBGWRVSTMFV-QFIPXVFZSA-N 2 1 354.542 3.333 20 30 FGEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000471192435 501951289 /nfs/dbraw/zinc/95/12/89/501951289.db2.gz YXPIDMYFNSCRJE-UHFFFAOYSA-N 2 1 362.521 3.295 20 30 FGEDMP C=CCOc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000517525378 503763461 /nfs/dbraw/zinc/76/34/61/503763461.db2.gz MEGLIISHUBKLFN-HXUWFJFHSA-N 2 1 371.550 3.391 20 30 FGEDMP C=CCCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000535584165 504478393 /nfs/dbraw/zinc/47/83/93/504478393.db2.gz DWXVRZOCLYCREM-LJQANCHMSA-N 2 1 363.933 3.491 20 30 FGEDMP C=CCCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000535584165 504478400 /nfs/dbraw/zinc/47/84/00/504478400.db2.gz DWXVRZOCLYCREM-LJQANCHMSA-N 2 1 363.933 3.491 20 30 FGEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535679926 504505094 /nfs/dbraw/zinc/50/50/94/504505094.db2.gz HSZKPLORQPBAFF-UHFFFAOYSA-N 2 1 367.537 3.175 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589596 504704172 /nfs/dbraw/zinc/70/41/72/504704172.db2.gz YTXSKISQHKEKOZ-RHSMWYFYSA-N 2 1 362.905 3.345 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589596 504704178 /nfs/dbraw/zinc/70/41/78/504704178.db2.gz YTXSKISQHKEKOZ-RHSMWYFYSA-N 2 1 362.905 3.345 20 30 FGEDMP [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303895547 713790198 /nfs/dbraw/zinc/79/01/98/713790198.db2.gz TYWSICOLTWBBNI-HNNXBMFYSA-N 2 1 362.568 3.169 20 30 FGEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303902564 713790274 /nfs/dbraw/zinc/79/02/74/713790274.db2.gz XXFVCAUYRJCUIM-ZDUSSCGKSA-N 2 1 358.408 3.432 20 30 FGEDMP N#Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898520206 742804050 /nfs/dbraw/zinc/80/40/50/742804050.db2.gz VUKSXGBRWMOHNW-FGTMMUONSA-N 2 1 352.507 3.405 20 30 FGEDMP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083172585 494002268 /nfs/dbraw/zinc/00/22/68/494002268.db2.gz NRRCYLLYKJUJGF-SFHVURJKSA-N 2 1 374.554 3.169 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083172585 494002274 /nfs/dbraw/zinc/00/22/74/494002274.db2.gz NRRCYLLYKJUJGF-SFHVURJKSA-N 2 1 374.554 3.169 20 30 FGEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@H]1CCC[N@@H+]1C ZINC000125322390 495425887 /nfs/dbraw/zinc/42/58/87/495425887.db2.gz BPNNSEPCFWJMCM-QGZVFWFLSA-N 2 1 363.575 3.069 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106265769 495441017 /nfs/dbraw/zinc/44/10/17/495441017.db2.gz WNBGQQXKKHDJOP-HDICACEKSA-N 2 1 364.578 3.083 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000152989682 496316500 /nfs/dbraw/zinc/31/65/00/496316500.db2.gz UUCYJANTWASHKL-QGZVFWFLSA-N 2 1 362.514 3.412 20 30 FGEDMP N#CC1(c2ccccc2)CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000271080244 497260013 /nfs/dbraw/zinc/26/00/13/497260013.db2.gz QNTPAWRVAPYDFP-ORFBVSJDSA-N 2 1 355.526 3.217 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267283419 497516069 /nfs/dbraw/zinc/51/60/69/497516069.db2.gz VSFXEWLWTSTKDF-UGKGYDQZSA-N 2 1 357.542 3.079 20 30 FGEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000285253103 498034289 /nfs/dbraw/zinc/03/42/89/498034289.db2.gz ZFXKQQSLZJHXTP-FXAWDEMLSA-N 2 1 368.529 3.353 20 30 FGEDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000572768819 506047752 /nfs/dbraw/zinc/04/77/52/506047752.db2.gz UVTAUOGKEQVGRK-CQSZACIVSA-N 2 1 355.404 3.168 20 30 FGEDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000572768819 506047755 /nfs/dbraw/zinc/04/77/55/506047755.db2.gz UVTAUOGKEQVGRK-CQSZACIVSA-N 2 1 355.404 3.168 20 30 FGEDMP N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312856532 498762831 /nfs/dbraw/zinc/76/28/31/498762831.db2.gz GYFASLGFVKNTNM-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312856532 498762837 /nfs/dbraw/zinc/76/28/37/498762837.db2.gz GYFASLGFVKNTNM-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312856532 498762843 /nfs/dbraw/zinc/76/28/43/498762843.db2.gz GYFASLGFVKNTNM-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312856532 498762849 /nfs/dbraw/zinc/76/28/49/498762849.db2.gz GYFASLGFVKNTNM-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP CN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000328869477 498967081 /nfs/dbraw/zinc/96/70/81/498967081.db2.gz XRWSOKFLNLLBKF-MSOLQXFVSA-N 2 1 374.554 3.029 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557669 499231552 /nfs/dbraw/zinc/23/15/52/499231552.db2.gz OWKOUSQTSIFYQM-SXSPYAJSSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557669 499231554 /nfs/dbraw/zinc/23/15/54/499231554.db2.gz OWKOUSQTSIFYQM-SXSPYAJSSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557669 499231555 /nfs/dbraw/zinc/23/15/55/499231555.db2.gz OWKOUSQTSIFYQM-SXSPYAJSSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557669 499231557 /nfs/dbraw/zinc/23/15/57/499231557.db2.gz OWKOUSQTSIFYQM-SXSPYAJSSA-N 2 1 363.505 3.434 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000371497098 499334429 /nfs/dbraw/zinc/33/44/29/499334429.db2.gz IYSIFPMHDDIHNH-KNQAVFIVSA-N 2 1 367.537 3.016 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)n2c1 ZINC000369485538 499407843 /nfs/dbraw/zinc/40/78/43/499407843.db2.gz HZXODJWJFJPROI-HXUWFJFHSA-N 2 1 359.477 3.208 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2c1 ZINC000369485538 499407845 /nfs/dbraw/zinc/40/78/45/499407845.db2.gz HZXODJWJFJPROI-HXUWFJFHSA-N 2 1 359.477 3.208 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414943844 499847411 /nfs/dbraw/zinc/84/74/11/499847411.db2.gz OLCURFVSPRSLDE-UHFFFAOYSA-N 2 1 369.303 3.254 20 30 FGEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677997 506258172 /nfs/dbraw/zinc/25/81/72/506258172.db2.gz ZAMXJNYAKMTOBE-PZJWPPBQSA-N 2 1 355.526 3.445 20 30 FGEDMP C=CCCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000476282566 502443237 /nfs/dbraw/zinc/44/32/37/502443237.db2.gz FRFDGLUAHRHOHW-UHFFFAOYSA-N 2 1 361.574 3.388 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000491593389 503322531 /nfs/dbraw/zinc/32/25/31/503322531.db2.gz FVFIMQXOYIRROW-ZDUSSCGKSA-N 2 1 371.319 3.310 20 30 FGEDMP C=CCOc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000517525376 503763522 /nfs/dbraw/zinc/76/35/22/503763522.db2.gz MEGLIISHUBKLFN-FQEVSTJZSA-N 2 1 371.550 3.391 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000517557140 503770345 /nfs/dbraw/zinc/77/03/45/503770345.db2.gz YSWONBSQGALUMS-KRWDZBQOSA-N 2 1 372.431 3.075 20 30 FGEDMP C=C(C)CN(Cc1ccc(CO)o1)Cc1cn(-c2ccncc2)nc1C ZINC000519845621 504361854 /nfs/dbraw/zinc/36/18/54/504361854.db2.gz AKPMTVOMAOTHSW-UHFFFAOYSA-N 2 1 352.438 3.239 20 30 FGEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000549401092 504810142 /nfs/dbraw/zinc/81/01/42/504810142.db2.gz IMSGGGWSZOCVTA-HDICACEKSA-N 2 1 366.509 3.132 20 30 FGEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000549401092 504810145 /nfs/dbraw/zinc/81/01/45/504810145.db2.gz IMSGGGWSZOCVTA-HDICACEKSA-N 2 1 366.509 3.132 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H]2CCC[C@H]21 ZINC000556893593 505008998 /nfs/dbraw/zinc/00/89/98/505008998.db2.gz VZKBVOFBZLEPIM-RNUBBMKBSA-N 2 1 354.498 3.106 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554960528 505312984 /nfs/dbraw/zinc/31/29/84/505312984.db2.gz OFIXRECKBIEVSE-BVSLBCMMSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554960528 505312988 /nfs/dbraw/zinc/31/29/88/505312988.db2.gz OFIXRECKBIEVSE-BVSLBCMMSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554960528 505312992 /nfs/dbraw/zinc/31/29/92/505312992.db2.gz OFIXRECKBIEVSE-BVSLBCMMSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554960528 505312995 /nfs/dbraw/zinc/31/29/95/505312995.db2.gz OFIXRECKBIEVSE-BVSLBCMMSA-N 2 1 367.537 3.029 20 30 FGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000589315669 506514583 /nfs/dbraw/zinc/51/45/83/506514583.db2.gz ONQXPXGECYNMTI-ZWKOTPCHSA-N 2 1 367.415 3.044 20 30 FGEDMP CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029795 506765045 /nfs/dbraw/zinc/76/50/45/506765045.db2.gz AAKIWAZIEYOYHZ-UHFFFAOYSA-N 2 1 350.466 3.080 20 30 FGEDMP CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029795 506765051 /nfs/dbraw/zinc/76/50/51/506765051.db2.gz AAKIWAZIEYOYHZ-UHFFFAOYSA-N 2 1 350.466 3.080 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716355 507078160 /nfs/dbraw/zinc/07/81/60/507078160.db2.gz KPKDVSVCBLCXTK-UEXGIBASSA-N 2 1 355.526 3.309 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000602511951 507731406 /nfs/dbraw/zinc/73/14/06/507731406.db2.gz WMCGGOYOPKKPRE-LJQANCHMSA-N 2 1 355.526 3.382 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261926018 713715790 /nfs/dbraw/zinc/71/57/90/713715790.db2.gz AZTUXOWQZZOLOR-WMLDXEAASA-N 2 1 352.885 3.176 20 30 FGEDMP C=CC[C@@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662678098 720451992 /nfs/dbraw/zinc/45/19/92/720451992.db2.gz BHPLCZWOGRBOLQ-ICSRJNTNSA-N 2 1 361.917 3.291 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000772879864 723770509 /nfs/dbraw/zinc/77/05/09/723770509.db2.gz OFBRAZLJEDBTCO-NVXWUHKLSA-N 2 1 358.473 3.374 20 30 FGEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713577 494056229 /nfs/dbraw/zinc/05/62/29/494056229.db2.gz AEHLNJXZTNKNTL-GOSISDBHSA-N 2 1 368.525 3.473 20 30 FGEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072823433 494257932 /nfs/dbraw/zinc/25/79/32/494257932.db2.gz YMYJEWQWAYFUNF-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072823433 494257941 /nfs/dbraw/zinc/25/79/41/494257941.db2.gz YMYJEWQWAYFUNF-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP COc1ccc([C@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCCC2)cc1 ZINC000170906136 495650213 /nfs/dbraw/zinc/65/02/13/495650213.db2.gz YZSOGOIPBCKZED-SFHVURJKSA-N 2 1 353.470 3.044 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712848 495692944 /nfs/dbraw/zinc/69/29/44/495692944.db2.gz ICVVGFHSBWSBKP-GDBMZVCRSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712848 495692949 /nfs/dbraw/zinc/69/29/49/495692949.db2.gz ICVVGFHSBWSBKP-GDBMZVCRSA-N 2 1 374.916 3.393 20 30 FGEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000182891916 495744474 /nfs/dbraw/zinc/74/44/74/495744474.db2.gz MWUVLQIURKOETO-HXUWFJFHSA-N 2 1 354.542 3.090 20 30 FGEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000182891916 495744477 /nfs/dbraw/zinc/74/44/77/495744477.db2.gz MWUVLQIURKOETO-HXUWFJFHSA-N 2 1 354.542 3.090 20 30 FGEDMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180067939 495844004 /nfs/dbraw/zinc/84/40/04/495844004.db2.gz IKUKFJFGRNSGIP-UHFFFAOYSA-N 2 1 351.498 3.311 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181415177 496385355 /nfs/dbraw/zinc/38/53/55/496385355.db2.gz QZSNUGXWOZAURT-LJQANCHMSA-N 2 1 354.542 3.377 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415177 496385358 /nfs/dbraw/zinc/38/53/58/496385358.db2.gz QZSNUGXWOZAURT-LJQANCHMSA-N 2 1 354.542 3.377 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415177 496385365 /nfs/dbraw/zinc/38/53/65/496385365.db2.gz QZSNUGXWOZAURT-LJQANCHMSA-N 2 1 354.542 3.377 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513567 496427279 /nfs/dbraw/zinc/42/72/79/496427279.db2.gz KTDGCRGWCJUGJU-BGYRXZFFSA-N 2 1 368.569 3.480 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513567 496427283 /nfs/dbraw/zinc/42/72/83/496427283.db2.gz KTDGCRGWCJUGJU-BGYRXZFFSA-N 2 1 368.569 3.480 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513567 496427288 /nfs/dbraw/zinc/42/72/88/496427288.db2.gz KTDGCRGWCJUGJU-BGYRXZFFSA-N 2 1 368.569 3.480 20 30 FGEDMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000574772737 505852573 /nfs/dbraw/zinc/85/25/73/505852573.db2.gz CWSLCLOIIGPQIV-QGZVFWFLSA-N 2 1 374.492 3.123 20 30 FGEDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000574772737 505852576 /nfs/dbraw/zinc/85/25/76/505852576.db2.gz CWSLCLOIIGPQIV-QGZVFWFLSA-N 2 1 374.492 3.123 20 30 FGEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182265994 496723293 /nfs/dbraw/zinc/72/32/93/496723293.db2.gz VJRUIBBASIAYOS-AVRDEDQJSA-N 2 1 364.489 3.116 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000273673707 496871636 /nfs/dbraw/zinc/87/16/36/496871636.db2.gz GFYDMNKZPGBXJI-NRFANRHFSA-N 2 1 353.514 3.348 20 30 FGEDMP C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCN1C ZINC000329840041 497920978 /nfs/dbraw/zinc/92/09/78/497920978.db2.gz WFIPJVRHXFOZPY-CVEARBPZSA-N 2 1 367.497 3.456 20 30 FGEDMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652609 506020686 /nfs/dbraw/zinc/02/06/86/506020686.db2.gz HPSDEWSLJVDMMV-UXHICEINSA-N 2 1 366.534 3.185 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000582840393 506449860 /nfs/dbraw/zinc/44/98/60/506449860.db2.gz VEILPDUPYZXBMV-DNVCBOLYSA-N 2 1 352.906 3.019 20 30 FGEDMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328940397 498993342 /nfs/dbraw/zinc/99/33/42/498993342.db2.gz KSHSEKPOUOZRSC-AQNXPRMDSA-N 2 1 363.546 3.118 20 30 FGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426436204 500272291 /nfs/dbraw/zinc/27/22/91/500272291.db2.gz HKJYIOLJUVAULT-LJQANCHMSA-N 2 1 368.443 3.490 20 30 FGEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428220552 500483410 /nfs/dbraw/zinc/48/34/10/500483410.db2.gz IEQAPGIUKVDBEJ-IRXDYDNUSA-N 2 1 359.489 3.409 20 30 FGEDMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000596059248 506232656 /nfs/dbraw/zinc/23/26/56/506232656.db2.gz NQXGRLFBONSAFC-LJQANCHMSA-N 2 1 363.509 3.170 20 30 FGEDMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000441185691 501099849 /nfs/dbraw/zinc/09/98/49/501099849.db2.gz UIUUCTIEJRMUQY-UHFFFAOYSA-N 2 1 353.470 3.162 20 30 FGEDMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000441186857 501100857 /nfs/dbraw/zinc/10/08/57/501100857.db2.gz XTTUEWXQQZJNHI-UHFFFAOYSA-N 2 1 353.470 3.162 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1)C(C)C ZINC000483676626 502460028 /nfs/dbraw/zinc/46/00/28/502460028.db2.gz BZEJHOHIEBXZJN-XUVXKRRUSA-N 2 1 364.578 3.199 20 30 FGEDMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3F)cn2)CC1 ZINC000512659460 503605541 /nfs/dbraw/zinc/60/55/41/503605541.db2.gz HCDAUZPNFWKUTM-MRXNPFEDSA-N 2 1 367.472 3.085 20 30 FGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540246961 503723023 /nfs/dbraw/zinc/72/30/23/503723023.db2.gz ICVITNDZXURXLN-CEXWTWQISA-N 2 1 371.525 3.209 20 30 FGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540246961 503723029 /nfs/dbraw/zinc/72/30/29/503723029.db2.gz ICVITNDZXURXLN-CEXWTWQISA-N 2 1 371.525 3.209 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000582840394 506449295 /nfs/dbraw/zinc/44/92/95/506449295.db2.gz VEILPDUPYZXBMV-HNAYVOBHSA-N 2 1 352.906 3.019 20 30 FGEDMP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000594440884 507135194 /nfs/dbraw/zinc/13/51/94/507135194.db2.gz IXBBTELOOZLJHM-YSIASYRMSA-N 2 1 356.514 3.082 20 30 FGEDMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N)C1CCCCC1 ZINC000594441310 507135973 /nfs/dbraw/zinc/13/59/73/507135973.db2.gz QTBHQMRQUQOIKT-NRFANRHFSA-N 2 1 370.541 3.479 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593946 507510569 /nfs/dbraw/zinc/51/05/69/507510569.db2.gz YKGBLFSAIJWLDM-HKBOAZHASA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000598593946 507510572 /nfs/dbraw/zinc/51/05/72/507510572.db2.gz YKGBLFSAIJWLDM-HKBOAZHASA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000598593946 507510578 /nfs/dbraw/zinc/51/05/78/507510578.db2.gz YKGBLFSAIJWLDM-HKBOAZHASA-N 2 1 355.526 3.274 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644548931 718121975 /nfs/dbraw/zinc/12/19/75/718121975.db2.gz ORYRDOFLKHWLMU-OAHLLOKOSA-N 2 1 373.324 3.363 20 30 FGEDMP COc1ccc(C#N)cc1C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000125316624 495425508 /nfs/dbraw/zinc/42/55/08/495425508.db2.gz FFEHMFPPIZYRNQ-UHFFFAOYSA-N 2 1 365.481 3.075 20 30 FGEDMP COc1ccc(C#N)cc1C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000125316624 495425513 /nfs/dbraw/zinc/42/55/13/495425513.db2.gz FFEHMFPPIZYRNQ-UHFFFAOYSA-N 2 1 365.481 3.075 20 30 FGEDMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000179896222 495774406 /nfs/dbraw/zinc/77/44/06/495774406.db2.gz HILOFEWAKZCUDQ-RBUKOAKNSA-N 2 1 356.514 3.010 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)n2c1 ZINC000172338608 496259465 /nfs/dbraw/zinc/25/94/65/496259465.db2.gz MEQUOTAJMWZSSC-UHFFFAOYSA-N 2 1 359.477 3.003 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000153005866 496322546 /nfs/dbraw/zinc/32/25/46/496322546.db2.gz RSMGLCJXZNRGMU-INIZCTEOSA-N 2 1 365.543 3.139 20 30 FGEDMP C[N@H+]1CCC[C@@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248096 496816068 /nfs/dbraw/zinc/81/60/68/496816068.db2.gz XBHUSKMGZKTFNE-TZIWHRDSSA-N 2 1 363.509 3.380 20 30 FGEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC1([NH+]3CCSCC3)CCCC1)C2 ZINC000329806841 497907714 /nfs/dbraw/zinc/90/77/14/497907714.db2.gz BHMYCGFSAFQBOQ-INIZCTEOSA-N 2 1 362.543 3.072 20 30 FGEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329893305 497942060 /nfs/dbraw/zinc/94/20/60/497942060.db2.gz JKPFAXWFBCTYAS-SFHVURJKSA-N 2 1 373.545 3.138 20 30 FGEDMP C[C@H](C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000330334786 498108744 /nfs/dbraw/zinc/10/87/44/498108744.db2.gz QZCULWQJQMOIDG-ZTNFWEORSA-N 2 1 368.481 3.044 20 30 FGEDMP C[C@H](C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000330334786 498108750 /nfs/dbraw/zinc/10/87/50/498108750.db2.gz QZCULWQJQMOIDG-ZTNFWEORSA-N 2 1 368.481 3.044 20 30 FGEDMP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000369899141 499147997 /nfs/dbraw/zinc/14/79/97/499147997.db2.gz FKIOWKITKXHYNA-SFHVURJKSA-N 2 1 374.448 3.388 20 30 FGEDMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000369899141 499147999 /nfs/dbraw/zinc/14/79/99/499147999.db2.gz FKIOWKITKXHYNA-SFHVURJKSA-N 2 1 374.448 3.388 20 30 FGEDMP CC1CC[NH+](CC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000367227985 499164568 /nfs/dbraw/zinc/16/45/68/499164568.db2.gz CHSOUYSHJPGKTP-UHFFFAOYSA-N 2 1 351.498 3.150 20 30 FGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1OC ZINC000367611352 499217471 /nfs/dbraw/zinc/21/74/71/499217471.db2.gz BUWTXQTYKAADTF-FCGDIQPGSA-N 2 1 357.498 3.339 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(C#N)c3)CC2)CC1 ZINC000371155578 499294400 /nfs/dbraw/zinc/29/44/00/499294400.db2.gz IGIZWLOHVLBGAY-UHFFFAOYSA-N 2 1 354.542 3.186 20 30 FGEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C#N)c1 ZINC000371155578 499294401 /nfs/dbraw/zinc/29/44/01/499294401.db2.gz IGIZWLOHVLBGAY-UHFFFAOYSA-N 3 1 354.542 3.186 20 30 FGEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C#N)c1 ZINC000371155578 499294403 /nfs/dbraw/zinc/29/44/03/499294403.db2.gz IGIZWLOHVLBGAY-UHFFFAOYSA-N 3 1 354.542 3.186 20 30 FGEDMP CCC[NH+]1CCN(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000378228187 499492243 /nfs/dbraw/zinc/49/22/43/499492243.db2.gz PFYWYUOOHAZEQI-UHFFFAOYSA-N 2 1 359.945 3.184 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414935853 499846328 /nfs/dbraw/zinc/84/63/28/499846328.db2.gz BAYMNJHGHDYVOC-SWLSCSKDSA-N 2 1 369.303 3.110 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000442882060 500639920 /nfs/dbraw/zinc/63/99/20/500639920.db2.gz PGBDPMBUEFROHM-UHFFFAOYSA-N 2 1 359.514 3.137 20 30 FGEDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000598993372 506266453 /nfs/dbraw/zinc/26/64/53/506266453.db2.gz ANQIWJFYSLZSMP-SFHVURJKSA-N 2 1 351.498 3.285 20 30 FGEDMP N#CCC1(C[N@H+](CCn2ccnc2)Cc2ccc(Br)o2)CC1 ZINC000602832240 506318096 /nfs/dbraw/zinc/31/80/96/506318096.db2.gz RTSLAFBNVHNAPQ-UHFFFAOYSA-N 2 1 363.259 3.435 20 30 FGEDMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000602966549 506369257 /nfs/dbraw/zinc/36/92/57/506369257.db2.gz JEWRRORNANBZIR-UHFFFAOYSA-N 2 1 374.554 3.243 20 30 FGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540246964 503723328 /nfs/dbraw/zinc/72/33/28/503723328.db2.gz ICVITNDZXURXLN-QRVBRYPASA-N 2 1 371.525 3.209 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989117 503966471 /nfs/dbraw/zinc/96/64/71/503966471.db2.gz VQVYQWOCXNVONY-BEFAXECRSA-N 2 1 353.441 3.115 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528451246 504230088 /nfs/dbraw/zinc/23/00/88/504230088.db2.gz WCEYJWKSOUIVKC-IBGZPJMESA-N 2 1 361.917 3.071 20 30 FGEDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000538397168 504234005 /nfs/dbraw/zinc/23/40/05/504234005.db2.gz SIFXMSGILPHFKO-LPHOPBHVSA-N 2 1 354.523 3.259 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000539498220 504589904 /nfs/dbraw/zinc/58/99/04/504589904.db2.gz KRLGCTCZBNDGGD-OALUTQOASA-N 2 1 354.542 3.375 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000539498220 504589906 /nfs/dbraw/zinc/58/99/06/504589906.db2.gz KRLGCTCZBNDGGD-OALUTQOASA-N 2 1 354.542 3.375 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000532589597 504704580 /nfs/dbraw/zinc/70/45/80/504704580.db2.gz YTXSKISQHKEKOZ-WMLDXEAASA-N 2 1 362.905 3.345 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000532589597 504704587 /nfs/dbraw/zinc/70/45/87/504704587.db2.gz YTXSKISQHKEKOZ-WMLDXEAASA-N 2 1 362.905 3.345 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550156752 504980742 /nfs/dbraw/zinc/98/07/42/504980742.db2.gz HEEKYKYVQXQWHN-KRWDZBQOSA-N 2 1 374.492 3.265 20 30 FGEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550156752 504980746 /nfs/dbraw/zinc/98/07/46/504980746.db2.gz HEEKYKYVQXQWHN-KRWDZBQOSA-N 2 1 374.492 3.265 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H]2CCC[C@@H]21 ZINC000556893584 505008742 /nfs/dbraw/zinc/00/87/42/505008742.db2.gz VZKBVOFBZLEPIM-PBDJWPIDSA-N 2 1 354.498 3.106 20 30 FGEDMP CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029818 506764614 /nfs/dbraw/zinc/76/46/14/506764614.db2.gz IGALOTCIUMXCQR-UHFFFAOYSA-N 2 1 364.493 3.471 20 30 FGEDMP N#CC1(c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc2)CC1 ZINC000594916531 507313428 /nfs/dbraw/zinc/31/34/28/507313428.db2.gz FHTDYUANEGXOFF-UHFFFAOYSA-N 2 1 361.489 3.364 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000595509234 507536926 /nfs/dbraw/zinc/53/69/26/507536926.db2.gz DSMFEOLVUBKKGR-UHFFFAOYSA-N 2 1 362.477 3.141 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598730339 507570952 /nfs/dbraw/zinc/57/09/52/507570952.db2.gz UCLFRRCICGNCMI-UXHICEINSA-N 2 1 355.526 3.179 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896147 507731926 /nfs/dbraw/zinc/73/19/26/507731926.db2.gz HAVXCSMWPCRNSU-KBAYOESNSA-N 2 1 367.415 3.438 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818989148 727335193 /nfs/dbraw/zinc/33/51/93/727335193.db2.gz ZIWREKABGUASTC-YLJYHZDGSA-N 2 1 355.507 3.155 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818989148 727335199 /nfs/dbraw/zinc/33/51/99/727335199.db2.gz ZIWREKABGUASTC-YLJYHZDGSA-N 2 1 355.507 3.155 20 30 FGEDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCSCC#N)C2)ccn1 ZINC000856600248 732040604 /nfs/dbraw/zinc/04/06/04/732040604.db2.gz RVRSAVSBFYSYME-LJQANCHMSA-N 2 1 362.543 3.022 20 30 FGEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCSCC#N)C2)ccn1 ZINC000856600248 732040607 /nfs/dbraw/zinc/04/06/07/732040607.db2.gz RVRSAVSBFYSYME-LJQANCHMSA-N 2 1 362.543 3.022 20 30 FGEDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCSCC#N)C2)ccn1 ZINC000856600248 732040612 /nfs/dbraw/zinc/04/06/12/732040612.db2.gz RVRSAVSBFYSYME-LJQANCHMSA-N 2 1 362.543 3.022 20 30 FGEDMP N#Cc1cc(C[NH+]2CCCSCC2)cc(C[N@H+]2CCCSCC2)c1 ZINC000878312842 736805261 /nfs/dbraw/zinc/80/52/61/736805261.db2.gz AVIIYBZVOYUIPK-UHFFFAOYSA-N 2 1 361.580 3.436 20 30 FGEDMP CS[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](SC)C3)c2)C1 ZINC000878665768 736905543 /nfs/dbraw/zinc/90/55/43/736905543.db2.gz LPLHCADQTSVQKA-KDURUIRLSA-N 2 1 361.580 3.433 20 30 FGEDMP CS[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](SC)C3)c2)C1 ZINC000878665768 736905544 /nfs/dbraw/zinc/90/55/44/736905544.db2.gz LPLHCADQTSVQKA-KDURUIRLSA-N 2 1 361.580 3.433 20 30 FGEDMP CS[C@@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](SC)C3)c2)C1 ZINC000878665768 736905546 /nfs/dbraw/zinc/90/55/46/736905546.db2.gz LPLHCADQTSVQKA-KDURUIRLSA-N 2 1 361.580 3.433 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OC ZINC000076763368 493966000 /nfs/dbraw/zinc/96/60/00/493966000.db2.gz VZIYBNOOEMJUGE-LJQANCHMSA-N 2 1 374.525 3.241 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000052209547 494011427 /nfs/dbraw/zinc/01/14/27/494011427.db2.gz IZBOFECQZSBZRF-UHFFFAOYSA-N 2 1 370.541 3.377 20 30 FGEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000092043581 494765329 /nfs/dbraw/zinc/76/53/29/494765329.db2.gz QIYSXMCIXAVHNP-MOPGFXCFSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000092043581 494765334 /nfs/dbraw/zinc/76/53/34/494765334.db2.gz QIYSXMCIXAVHNP-MOPGFXCFSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCCCC#N ZINC000092043581 494765338 /nfs/dbraw/zinc/76/53/38/494765338.db2.gz QIYSXMCIXAVHNP-MOPGFXCFSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OCCCC#N ZINC000092043581 494765344 /nfs/dbraw/zinc/76/53/44/494765344.db2.gz QIYSXMCIXAVHNP-MOPGFXCFSA-N 2 1 357.498 3.294 20 30 FGEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)c1 ZINC000104178418 495269913 /nfs/dbraw/zinc/26/99/13/495269913.db2.gz VDZFDYXCCUCSIC-UHFFFAOYSA-N 2 1 356.470 3.082 20 30 FGEDMP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113513732 495307754 /nfs/dbraw/zinc/30/77/54/495307754.db2.gz HIBDQXDTLUCHLN-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113513732 495307757 /nfs/dbraw/zinc/30/77/57/495307757.db2.gz HIBDQXDTLUCHLN-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185670920 495672028 /nfs/dbraw/zinc/67/20/28/495672028.db2.gz GYHCRPBQBWVAFN-FUHWJXTLSA-N 2 1 354.498 3.129 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000151168558 495760280 /nfs/dbraw/zinc/76/02/80/495760280.db2.gz JYKLIWNRCXDBMR-SFHVURJKSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000151168558 495760281 /nfs/dbraw/zinc/76/02/81/495760281.db2.gz JYKLIWNRCXDBMR-SFHVURJKSA-N 2 1 368.525 3.473 20 30 FGEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)nc(C)[nH+]1 ZINC000178615398 496516460 /nfs/dbraw/zinc/51/64/60/496516460.db2.gz JFOZMROLUBZZLU-INIZCTEOSA-N 2 1 365.481 3.143 20 30 FGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045549 496648616 /nfs/dbraw/zinc/64/86/16/496648616.db2.gz KNXYQGCKCSKFCK-JOCHJYFZSA-N 2 1 368.569 3.480 20 30 FGEDMP CC(C)C[N@@H+]1CCC[C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045549 496648619 /nfs/dbraw/zinc/64/86/19/496648619.db2.gz KNXYQGCKCSKFCK-JOCHJYFZSA-N 2 1 368.569 3.480 20 30 FGEDMP CC(C)C[N@H+]1CCC[C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045549 496648623 /nfs/dbraw/zinc/64/86/23/496648623.db2.gz KNXYQGCKCSKFCK-JOCHJYFZSA-N 2 1 368.569 3.480 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007435 496750212 /nfs/dbraw/zinc/75/02/12/496750212.db2.gz PJNSMYLPQZFRTG-QUCCMNQESA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007435 496750217 /nfs/dbraw/zinc/75/02/17/496750217.db2.gz PJNSMYLPQZFRTG-QUCCMNQESA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007435 496750224 /nfs/dbraw/zinc/75/02/24/496750224.db2.gz PJNSMYLPQZFRTG-QUCCMNQESA-N 2 1 368.525 3.473 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000191490956 496780947 /nfs/dbraw/zinc/78/09/47/496780947.db2.gz BHFYOBVLSLUXNQ-UHFFFAOYSA-N 2 1 353.470 3.058 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000191490956 496780952 /nfs/dbraw/zinc/78/09/52/496780952.db2.gz BHFYOBVLSLUXNQ-UHFFFAOYSA-N 2 1 353.470 3.058 20 30 FGEDMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OCCCC#N ZINC000264376321 496885593 /nfs/dbraw/zinc/88/55/93/496885593.db2.gz NCFRJENISZINBE-INIZCTEOSA-N 2 1 356.470 3.309 20 30 FGEDMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278731323 497203020 /nfs/dbraw/zinc/20/30/20/497203020.db2.gz UKNAZXWZIVLGCE-UHFFFAOYSA-N 2 1 366.513 3.069 20 30 FGEDMP COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235630 499200483 /nfs/dbraw/zinc/20/04/83/499200483.db2.gz HITUQZCMBIJMST-RTBURBONSA-N 2 1 366.465 3.429 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000370675345 499243096 /nfs/dbraw/zinc/24/30/96/499243096.db2.gz DSXNFCJCOJNGTJ-RJGXRXQPSA-N 2 1 361.489 3.046 20 30 FGEDMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000369120192 499367681 /nfs/dbraw/zinc/36/76/81/499367681.db2.gz PPMWVXWWTOOKHR-KRWDZBQOSA-N 2 1 374.554 3.392 20 30 FGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000369120192 499367682 /nfs/dbraw/zinc/36/76/82/499367682.db2.gz PPMWVXWWTOOKHR-KRWDZBQOSA-N 2 1 374.554 3.392 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000414904620 499843298 /nfs/dbraw/zinc/84/32/98/499843298.db2.gz KHJBFPYLPSXFJW-CQSZACIVSA-N 2 1 369.303 3.254 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728049 506275826 /nfs/dbraw/zinc/27/58/26/506275826.db2.gz HXQAODUIVLZCKH-QKNQBKEWSA-N 2 1 355.526 3.443 20 30 FGEDMP C=CCN1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000493644203 503437422 /nfs/dbraw/zinc/43/74/22/503437422.db2.gz SEHDPEMOHDBWBV-UEXGIBASSA-N 2 1 355.526 3.041 20 30 FGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594441527 507135529 /nfs/dbraw/zinc/13/55/29/507135529.db2.gz SJMUTTFEHKFXGB-FXAWDEMLSA-N 2 1 356.514 3.088 20 30 FGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289680 507448642 /nfs/dbraw/zinc/44/86/42/507448642.db2.gz PUQIDRDQKGZEKZ-WOJBJXKFSA-N 2 1 354.542 3.044 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000598725264 507568935 /nfs/dbraw/zinc/56/89/35/507568935.db2.gz WRJMXZBKKFBLCZ-UWHLTILDSA-N 2 1 355.526 3.177 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000602520146 507736851 /nfs/dbraw/zinc/73/68/51/507736851.db2.gz FNNWQQRXWRVXSR-RTBURBONSA-N 2 1 371.525 3.096 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000602520146 507736856 /nfs/dbraw/zinc/73/68/56/507736856.db2.gz FNNWQQRXWRVXSR-RTBURBONSA-N 2 1 371.525 3.096 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)C1 ZINC000303872534 713789513 /nfs/dbraw/zinc/78/95/13/713789513.db2.gz CAVSSOKWZROCDT-CALCHBBNSA-N 2 1 360.571 3.028 20 30 FGEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+]1CCC[C@@H](C)C1 ZINC000305240052 713792924 /nfs/dbraw/zinc/79/29/24/713792924.db2.gz QRBJBMKSFIRDAX-OLZOCXBDSA-N 2 1 358.408 3.432 20 30 FGEDMP C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000625705127 715776643 /nfs/dbraw/zinc/77/66/43/715776643.db2.gz SDEUMUGSBWUTKT-QGZVFWFLSA-N 2 1 359.539 3.072 20 30 FGEDMP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000799725028 724087911 /nfs/dbraw/zinc/08/79/11/724087911.db2.gz CHPKBAIDSDDRMY-QGZVFWFLSA-N 2 1 365.949 3.495 20 30 FGEDMP C=C(Cl)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000957552030 762640201 /nfs/dbraw/zinc/64/02/01/762640201.db2.gz DNMVKHMGTKSPNI-ZWKOTPCHSA-N 2 1 367.965 3.174 20 30 FGEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC[NH+](C)CC1 ZINC000093088705 494824658 /nfs/dbraw/zinc/82/46/58/494824658.db2.gz BLFDYLBZPPCXBZ-UHFFFAOYSA-N 2 1 351.498 3.237 20 30 FGEDMP Cc1cccc(N2CCC([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)[nH+]1 ZINC000116924480 494871276 /nfs/dbraw/zinc/87/12/76/494871276.db2.gz HBWGRWNDAOOLOY-QGZVFWFLSA-N 2 1 350.466 3.440 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130509471 495403584 /nfs/dbraw/zinc/40/35/84/495403584.db2.gz ZQVBTCPBVGZXHC-CYBMUJFWSA-N 2 1 359.861 3.066 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130509471 495403589 /nfs/dbraw/zinc/40/35/89/495403589.db2.gz ZQVBTCPBVGZXHC-CYBMUJFWSA-N 2 1 359.861 3.066 20 30 FGEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000159003159 495635043 /nfs/dbraw/zinc/63/50/43/495635043.db2.gz WLZOPDGSOQQPHT-RXVVDRJESA-N 2 1 362.562 3.017 20 30 FGEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159003159 495635050 /nfs/dbraw/zinc/63/50/50/495635050.db2.gz WLZOPDGSOQQPHT-RXVVDRJESA-N 2 1 362.562 3.017 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185670972 495672677 /nfs/dbraw/zinc/67/26/77/495672677.db2.gz GYHCRPBQBWVAFN-AEFFLSMTSA-N 2 1 354.498 3.129 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180207514 495908022 /nfs/dbraw/zinc/90/80/22/495908022.db2.gz BONCZEMEMPKTNQ-SFHVURJKSA-N 2 1 351.498 3.122 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180207514 495908029 /nfs/dbraw/zinc/90/80/29/495908029.db2.gz BONCZEMEMPKTNQ-SFHVURJKSA-N 2 1 351.498 3.122 20 30 FGEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248009121 496942541 /nfs/dbraw/zinc/94/25/41/496942541.db2.gz LCJIDRROAJSZCW-ZJOUEHCJSA-N 2 1 368.525 3.046 20 30 FGEDMP CC(C)[NH+]1CCN(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000270909435 497224577 /nfs/dbraw/zinc/22/45/77/497224577.db2.gz NRWZHJXEJJMPIZ-UHFFFAOYSA-N 2 1 359.945 3.182 20 30 FGEDMP CC(C)(CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000276951883 497697182 /nfs/dbraw/zinc/69/71/82/497697182.db2.gz VLSADEAEYNBERN-UHFFFAOYSA-N 2 1 354.542 3.234 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000364719321 498111274 /nfs/dbraw/zinc/11/12/74/498111274.db2.gz AIYZVKYPULXIAA-MRXNPFEDSA-N 2 1 373.460 3.019 20 30 FGEDMP C[C@@H](C[NH+](C)CC#CC[N@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000569632798 505980331 /nfs/dbraw/zinc/98/03/31/505980331.db2.gz MOVALISUIDEOPZ-HOTGVXAUSA-N 2 1 362.568 3.374 20 30 FGEDMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652608 506021114 /nfs/dbraw/zinc/02/11/14/506021114.db2.gz HPSDEWSLJVDMMV-PMACEKPBSA-N 2 1 366.534 3.185 20 30 FGEDMP CCC[NH+]1CCN(C2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000363423697 498815670 /nfs/dbraw/zinc/81/56/70/498815670.db2.gz WVYYHZIRHXZMEB-UHFFFAOYSA-N 2 1 359.945 3.184 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000576220545 506105642 /nfs/dbraw/zinc/10/56/42/506105642.db2.gz VTUMTUODLQBVKU-OAQYLSRUSA-N 2 1 354.494 3.210 20 30 FGEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCC[NH+]1C ZINC000329154303 499057361 /nfs/dbraw/zinc/05/73/61/499057361.db2.gz BHXSBSCAHGRZSO-FFZOFVMBSA-N 2 1 373.545 3.167 20 30 FGEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CCC[N@@H+]1C ZINC000329154303 499057366 /nfs/dbraw/zinc/05/73/66/499057366.db2.gz BHXSBSCAHGRZSO-FFZOFVMBSA-N 2 1 373.545 3.167 20 30 FGEDMP C[N@@H+](CCCSCC#N)[C@H]1CCC[NH+](CCCSCC#N)CC1 ZINC000372887381 499189768 /nfs/dbraw/zinc/18/97/68/499189768.db2.gz ZJFWYPWITYTLIY-KRWDZBQOSA-N 2 1 354.589 3.066 20 30 FGEDMP C[NH+](CCCSCC#N)[C@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000372887381 499189770 /nfs/dbraw/zinc/18/97/70/499189770.db2.gz ZJFWYPWITYTLIY-KRWDZBQOSA-N 2 1 354.589 3.066 20 30 FGEDMP C[NH+](CCCSCC#N)[C@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000372887381 499189772 /nfs/dbraw/zinc/18/97/72/499189772.db2.gz ZJFWYPWITYTLIY-KRWDZBQOSA-N 2 1 354.589 3.066 20 30 FGEDMP C[NH+]1CCC([NH+]2CCC(CCNc3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000371883464 499375175 /nfs/dbraw/zinc/37/51/75/499375175.db2.gz JJBCANSGJMWSRG-UHFFFAOYSA-N 2 1 371.485 3.075 20 30 FGEDMP CC1CCC([NH+]2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000369480103 499407336 /nfs/dbraw/zinc/40/73/36/499407336.db2.gz KGNPUPHMYBQAIU-UHFFFAOYSA-N 2 1 351.498 3.339 20 30 FGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433319168 500671776 /nfs/dbraw/zinc/67/17/76/500671776.db2.gz NQJGYYPSRRIRCI-SFHVURJKSA-N 2 1 366.513 3.069 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000448462150 500761822 /nfs/dbraw/zinc/76/18/22/500761822.db2.gz QXCCCJHOYNKWAE-XUVXKRRUSA-N 2 1 364.578 3.057 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1)C(C)C ZINC000483676625 502460115 /nfs/dbraw/zinc/46/01/15/502460115.db2.gz BZEJHOHIEBXZJN-VAMGGRTRSA-N 2 1 364.578 3.199 20 30 FGEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000515893416 503416612 /nfs/dbraw/zinc/41/66/12/503416612.db2.gz BSCFRMGGDSMGOQ-GOSISDBHSA-N 2 1 351.498 3.284 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H]2CCC[C@@H]21 ZINC000560523856 505114048 /nfs/dbraw/zinc/11/40/48/505114048.db2.gz FTZHELOGWPAMEK-JYBIWHBTSA-N 2 1 356.489 3.129 20 30 FGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000594919566 507315768 /nfs/dbraw/zinc/31/57/68/507315768.db2.gz BNAPEXCSIOFFRG-NQIIRXRSSA-N 2 1 355.526 3.468 20 30 FGEDMP N#CC1(c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000594944308 507324434 /nfs/dbraw/zinc/32/44/34/507324434.db2.gz TXDOTXAMFYKCTI-JOCHJYFZSA-N 2 1 361.489 3.098 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535823 507740604 /nfs/dbraw/zinc/74/06/04/507740604.db2.gz UANSKKUXLAIBGU-TZIWHRDSSA-N 2 1 355.526 3.240 20 30 FGEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000078911225 700290777 /nfs/dbraw/zinc/29/07/77/700290777.db2.gz YMLRIEASLIQQKZ-AWEZNQCLSA-N 2 1 363.299 3.035 20 30 FGEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000078911225 700290781 /nfs/dbraw/zinc/29/07/81/700290781.db2.gz YMLRIEASLIQQKZ-AWEZNQCLSA-N 2 1 363.299 3.035 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262049694 713717877 /nfs/dbraw/zinc/71/78/77/713717877.db2.gz VOAMXVHIJMLHNZ-CXAGYDPISA-N 2 1 352.885 3.319 20 30 FGEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000303872219 713789488 /nfs/dbraw/zinc/78/94/88/713789488.db2.gz BWWYNFIFBBYTGJ-OLZOCXBDSA-N 2 1 358.408 3.432 20 30 FGEDMP C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000303872220 713789635 /nfs/dbraw/zinc/78/96/35/713789635.db2.gz BWWYNFIFBBYTGJ-QWHCGFSZSA-N 2 1 358.408 3.432 20 30 FGEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000305034409 713792126 /nfs/dbraw/zinc/79/21/26/713792126.db2.gz RYUHCTBQFMLKAP-ZDUSSCGKSA-N 2 1 358.408 3.290 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757197 717599129 /nfs/dbraw/zinc/59/91/29/717599129.db2.gz IJBZDFXFCDANBV-QGZVFWFLSA-N 2 1 361.555 3.069 20 30 FGEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000657750209 719703813 /nfs/dbraw/zinc/70/38/13/719703813.db2.gz CYUWAJYEKWWELS-KRWDZBQOSA-N 2 1 350.890 3.248 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921702041 758773637 /nfs/dbraw/zinc/77/36/37/758773637.db2.gz GIMNHNSUIDFRMH-FUHWJXTLSA-N 2 1 351.535 3.310 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100528 493833370 /nfs/dbraw/zinc/83/33/70/493833370.db2.gz VUMDUAWQDZQLGU-RHSMWYFYSA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100528 493833375 /nfs/dbraw/zinc/83/33/75/493833375.db2.gz VUMDUAWQDZQLGU-RHSMWYFYSA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100528 493833380 /nfs/dbraw/zinc/83/33/80/493833380.db2.gz VUMDUAWQDZQLGU-RHSMWYFYSA-N 2 1 374.554 3.099 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000577215727 505689815 /nfs/dbraw/zinc/68/98/15/505689815.db2.gz LBDNHQCYVOZNKC-RBBKRZOGSA-N 2 1 358.526 3.072 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821554 494764962 /nfs/dbraw/zinc/76/49/62/494764962.db2.gz VNDDOHJYFOQQJR-LJQANCHMSA-N 2 1 372.557 3.433 20 30 FGEDMP Cc1ccccc1CN1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123344065 495117702 /nfs/dbraw/zinc/11/77/02/495117702.db2.gz SCKAFRMVQLTXFS-UHFFFAOYSA-N 2 1 359.477 3.269 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)n2c1 ZINC000123523232 495145985 /nfs/dbraw/zinc/14/59/85/495145985.db2.gz KZVNNOQBXNZYIE-QGZVFWFLSA-N 2 1 365.506 3.269 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)n2c1 ZINC000123523232 495145986 /nfs/dbraw/zinc/14/59/86/495145986.db2.gz KZVNNOQBXNZYIE-QGZVFWFLSA-N 2 1 365.506 3.269 20 30 FGEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000159003010 495635175 /nfs/dbraw/zinc/63/51/75/495635175.db2.gz WLZOPDGSOQQPHT-NQIIRXRSSA-N 2 1 362.562 3.017 20 30 FGEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159003010 495635182 /nfs/dbraw/zinc/63/51/82/495635182.db2.gz WLZOPDGSOQQPHT-NQIIRXRSSA-N 2 1 362.562 3.017 20 30 FGEDMP CN(CCC#N)C[C@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000577859665 505806746 /nfs/dbraw/zinc/80/67/46/505806746.db2.gz GSHKRGWLIMIKDS-HXUWFJFHSA-N 2 1 358.530 3.069 20 30 FGEDMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000184338128 496340109 /nfs/dbraw/zinc/34/01/09/496340109.db2.gz QXJPPUPMPCZGLO-KRWDZBQOSA-N 2 1 351.498 3.313 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1OC ZINC000268953807 496833578 /nfs/dbraw/zinc/83/35/78/496833578.db2.gz FQNHHWKALZVCIE-WOJBJXKFSA-N 2 1 374.525 3.118 20 30 FGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1 ZINC000265205874 497071542 /nfs/dbraw/zinc/07/15/42/497071542.db2.gz SLZCEMANZWLMHB-SIKLNZKXSA-N 2 1 372.557 3.263 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267283412 497516078 /nfs/dbraw/zinc/51/60/78/497516078.db2.gz VSFXEWLWTSTKDF-KNQAVFIVSA-N 2 1 357.542 3.079 20 30 FGEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000282543770 498551810 /nfs/dbraw/zinc/55/18/10/498551810.db2.gz RRJMUWDGPAKDPI-VXKWHMMOSA-N 2 1 363.505 3.482 20 30 FGEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000282543770 498551819 /nfs/dbraw/zinc/55/18/19/498551819.db2.gz RRJMUWDGPAKDPI-VXKWHMMOSA-N 2 1 363.505 3.482 20 30 FGEDMP C[C@@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000329366481 499109593 /nfs/dbraw/zinc/10/95/93/499109593.db2.gz KLUIQNPSFQZZPV-VQIMIIECSA-N 2 1 372.557 3.462 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329458226 499124327 /nfs/dbraw/zinc/12/43/27/499124327.db2.gz QXQSOTOEFSDNEQ-LSDHHAIUSA-N 2 1 359.470 3.246 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329458226 499124330 /nfs/dbraw/zinc/12/43/30/499124330.db2.gz QXQSOTOEFSDNEQ-LSDHHAIUSA-N 2 1 359.470 3.246 20 30 FGEDMP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000369899140 499147870 /nfs/dbraw/zinc/14/78/70/499147870.db2.gz FKIOWKITKXHYNA-GOSISDBHSA-N 2 1 374.448 3.388 20 30 FGEDMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)n1 ZINC000369899140 499147873 /nfs/dbraw/zinc/14/78/73/499147873.db2.gz FKIOWKITKXHYNA-GOSISDBHSA-N 2 1 374.448 3.388 20 30 FGEDMP C=CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000368069906 499261484 /nfs/dbraw/zinc/26/14/84/499261484.db2.gz NYXRCBVRYCONNB-JBACZVJFSA-N 2 1 355.526 3.006 20 30 FGEDMP C=CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368069906 499261486 /nfs/dbraw/zinc/26/14/86/499261486.db2.gz NYXRCBVRYCONNB-JBACZVJFSA-N 2 1 355.526 3.006 20 30 FGEDMP C=CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368069906 499261488 /nfs/dbraw/zinc/26/14/88/499261488.db2.gz NYXRCBVRYCONNB-JBACZVJFSA-N 2 1 355.526 3.006 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccccc3C#N)CC2)CC1 ZINC000371160868 499294783 /nfs/dbraw/zinc/29/47/83/499294783.db2.gz QNCVUYQZQIXCGY-UHFFFAOYSA-N 2 1 354.542 3.186 20 30 FGEDMP C[NH+]1CCC([NH+]2CCC(CCNc3ncc(C#N)cc3Cl)CC2)CC1 ZINC000371883803 499375136 /nfs/dbraw/zinc/37/51/36/499375136.db2.gz KSKDKQWHAIYWNP-UHFFFAOYSA-N 2 1 361.921 3.215 20 30 FGEDMP C[N@@H+](Cc1cccn1Cc1ccccc1C#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375975552 499573129 /nfs/dbraw/zinc/57/31/29/499573129.db2.gz RJKMICPOZHZRSJ-SFHVURJKSA-N 2 1 359.477 3.299 20 30 FGEDMP C[N@H+](Cc1cccn1Cc1ccccc1C#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375975552 499573131 /nfs/dbraw/zinc/57/31/31/499573131.db2.gz RJKMICPOZHZRSJ-SFHVURJKSA-N 2 1 359.477 3.299 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419287158 500349809 /nfs/dbraw/zinc/34/98/09/500349809.db2.gz GQYKDUWTFRBICX-INIZCTEOSA-N 2 1 361.555 3.258 20 30 FGEDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000582390026 506200411 /nfs/dbraw/zinc/20/04/11/506200411.db2.gz OOOYCRMDHGLNSI-UHFFFAOYSA-N 2 1 355.404 3.168 20 30 FGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000442682932 500610732 /nfs/dbraw/zinc/61/07/32/500610732.db2.gz PNNJOICYGDLVCB-HXUWFJFHSA-N 2 1 362.521 3.369 20 30 FGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000442682932 500610736 /nfs/dbraw/zinc/61/07/36/500610736.db2.gz PNNJOICYGDLVCB-HXUWFJFHSA-N 2 1 362.521 3.369 20 30 FGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134514 500937361 /nfs/dbraw/zinc/93/73/61/500937361.db2.gz IUWORZKQGBPQBL-SFHVURJKSA-N 2 1 366.513 3.022 20 30 FGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134514 500937364 /nfs/dbraw/zinc/93/73/64/500937364.db2.gz IUWORZKQGBPQBL-SFHVURJKSA-N 2 1 366.513 3.022 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134514 500937368 /nfs/dbraw/zinc/93/73/68/500937368.db2.gz IUWORZKQGBPQBL-SFHVURJKSA-N 2 1 366.513 3.022 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134514 500937370 /nfs/dbraw/zinc/93/73/70/500937370.db2.gz IUWORZKQGBPQBL-SFHVURJKSA-N 2 1 366.513 3.022 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527806787 503953695 /nfs/dbraw/zinc/95/36/95/503953695.db2.gz FMEDMQUESICJOR-QFIPXVFZSA-N 2 1 352.526 3.129 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527806787 503953698 /nfs/dbraw/zinc/95/36/98/503953698.db2.gz FMEDMQUESICJOR-QFIPXVFZSA-N 2 1 352.526 3.129 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000519594426 504266765 /nfs/dbraw/zinc/26/67/65/504266765.db2.gz BRKWIEQFSVBYIK-HXUWFJFHSA-N 2 1 360.542 3.354 20 30 FGEDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065405 507374969 /nfs/dbraw/zinc/37/49/69/507374969.db2.gz AYEIYWDTNSSZRQ-MGPUTAFESA-N 2 1 353.441 3.115 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595863195 507718428 /nfs/dbraw/zinc/71/84/28/507718428.db2.gz KUPKGJPKMXOJQD-JOCHJYFZSA-N 2 1 361.489 3.256 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595863195 507718442 /nfs/dbraw/zinc/71/84/42/507718442.db2.gz KUPKGJPKMXOJQD-JOCHJYFZSA-N 2 1 361.489 3.256 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554325 732038224 /nfs/dbraw/zinc/03/82/24/732038224.db2.gz QZWBHDXEVNROBU-KRWDZBQOSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554325 732038229 /nfs/dbraw/zinc/03/82/29/732038229.db2.gz QZWBHDXEVNROBU-KRWDZBQOSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554325 732038234 /nfs/dbraw/zinc/03/82/34/732038234.db2.gz QZWBHDXEVNROBU-KRWDZBQOSA-N 2 1 356.495 3.120 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)CC1 ZINC000077823099 494186539 /nfs/dbraw/zinc/18/65/39/494186539.db2.gz AHWJBUUJVWDBNQ-UHFFFAOYSA-N 2 1 371.529 3.016 20 30 FGEDMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1C#N ZINC000174304380 495901805 /nfs/dbraw/zinc/90/18/05/495901805.db2.gz LMOWYSZVDXCISQ-QGZVFWFLSA-N 2 1 365.477 3.077 20 30 FGEDMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1C#N ZINC000174304380 495901813 /nfs/dbraw/zinc/90/18/13/495901813.db2.gz LMOWYSZVDXCISQ-QGZVFWFLSA-N 2 1 365.477 3.077 20 30 FGEDMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180204120 495905109 /nfs/dbraw/zinc/90/51/09/495905109.db2.gz FOYXYBGCYQAOCM-IBGZPJMESA-N 2 1 363.509 3.267 20 30 FGEDMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180204120 495905114 /nfs/dbraw/zinc/90/51/14/495905114.db2.gz FOYXYBGCYQAOCM-IBGZPJMESA-N 2 1 363.509 3.267 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000181624234 496475587 /nfs/dbraw/zinc/47/55/87/496475587.db2.gz RNGRVBWVJNYOGO-IBGZPJMESA-N 2 1 354.542 3.233 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1OC ZINC000268953802 496833458 /nfs/dbraw/zinc/83/34/58/496833458.db2.gz FQNHHWKALZVCIE-UXHICEINSA-N 2 1 374.525 3.118 20 30 FGEDMP CC1CC[NH+](CCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278568430 497155045 /nfs/dbraw/zinc/15/50/45/497155045.db2.gz DJRPERUTTBRFDD-UHFFFAOYSA-N 2 1 366.513 3.070 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267283416 497516131 /nfs/dbraw/zinc/51/61/31/497516131.db2.gz VSFXEWLWTSTKDF-SIKLNZKXSA-N 2 1 357.542 3.079 20 30 FGEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cnn(-c2ccncc2)c1C(F)F ZINC000330251448 498078763 /nfs/dbraw/zinc/07/87/63/498078763.db2.gz HQSWWRWKOYJAPF-CABCVRRESA-N 2 1 361.396 3.136 20 30 FGEDMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330251448 498078770 /nfs/dbraw/zinc/07/87/70/498078770.db2.gz HQSWWRWKOYJAPF-CABCVRRESA-N 2 1 361.396 3.136 20 30 FGEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330251448 498078776 /nfs/dbraw/zinc/07/87/76/498078776.db2.gz HQSWWRWKOYJAPF-CABCVRRESA-N 2 1 361.396 3.136 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000364871975 498185522 /nfs/dbraw/zinc/18/55/22/498185522.db2.gz LLFXLRAJUPXXME-OAQYLSRUSA-N 2 1 359.489 3.249 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000370675342 499243070 /nfs/dbraw/zinc/24/30/70/499243070.db2.gz DSXNFCJCOJNGTJ-DNVJHFABSA-N 2 1 361.489 3.046 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000371497100 499334453 /nfs/dbraw/zinc/33/44/53/499334453.db2.gz IYSIFPMHDDIHNH-UGKGYDQZSA-N 2 1 367.537 3.016 20 30 FGEDMP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458988008 501571867 /nfs/dbraw/zinc/57/18/67/501571867.db2.gz NNKNGZUCPXNOSQ-RBUKOAKNSA-N 2 1 364.578 3.177 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000482134736 501985897 /nfs/dbraw/zinc/98/58/97/501985897.db2.gz MFIFCZJFKDOQGN-XKGZKEIXSA-N 2 1 356.514 3.375 20 30 FGEDMP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)COC1)c1cccc(C#N)c1 ZINC000611798265 506307740 /nfs/dbraw/zinc/30/77/40/506307740.db2.gz HRHPTUJUPGGISC-HDICACEKSA-N 2 1 374.488 3.448 20 30 FGEDMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)ccc1C#N ZINC000488229576 502664410 /nfs/dbraw/zinc/66/44/10/502664410.db2.gz XRPUWTBHPCMXJP-UHFFFAOYSA-N 2 1 368.569 3.495 20 30 FGEDMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000488229576 502664417 /nfs/dbraw/zinc/66/44/17/502664417.db2.gz XRPUWTBHPCMXJP-UHFFFAOYSA-N 3 1 368.569 3.495 20 30 FGEDMP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000488229576 502664420 /nfs/dbraw/zinc/66/44/20/502664420.db2.gz XRPUWTBHPCMXJP-UHFFFAOYSA-N 3 1 368.569 3.495 20 30 FGEDMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000517204735 503672542 /nfs/dbraw/zinc/67/25/42/503672542.db2.gz CNGCXZKRXFDNOM-UHFFFAOYSA-N 2 1 368.447 3.084 20 30 FGEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533409067 503834114 /nfs/dbraw/zinc/83/41/14/503834114.db2.gz RBALCYXQTMFJDD-UHFFFAOYSA-N 2 1 362.905 3.202 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000533409067 503834120 /nfs/dbraw/zinc/83/41/20/503834120.db2.gz RBALCYXQTMFJDD-UHFFFAOYSA-N 2 1 362.905 3.202 20 30 FGEDMP N#CC1(c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC000594918329 507313782 /nfs/dbraw/zinc/31/37/82/507313782.db2.gz NVXVJGOWSUVSKO-UHFFFAOYSA-N 2 1 361.489 3.364 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000584729532 507474093 /nfs/dbraw/zinc/47/40/93/507474093.db2.gz BGMXQHVESZSLHY-UHFFFAOYSA-N 2 1 369.303 3.208 20 30 FGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)Cc1ccc[nH]1 ZINC000262452314 713725995 /nfs/dbraw/zinc/72/59/95/713725995.db2.gz WGDLHHXTIWJYIF-YJBOKZPZSA-N 2 1 359.543 3.167 20 30 FGEDMP C=CCn1c(C)nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1=S ZINC000872743754 735670061 /nfs/dbraw/zinc/67/00/61/735670061.db2.gz IOAKHZWNCBNRJZ-UHFFFAOYSA-N 2 1 351.564 3.166 20 30 FGEDMP C=CCn1c(C)nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1=S ZINC000872743754 735670063 /nfs/dbraw/zinc/67/00/63/735670063.db2.gz IOAKHZWNCBNRJZ-UHFFFAOYSA-N 2 1 351.564 3.166 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876891659 736158571 /nfs/dbraw/zinc/15/85/71/736158571.db2.gz APMNLGWHZRSHIN-UHOFOFEASA-N 2 1 374.287 3.058 20 30 FGEDMP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923530579 759142427 /nfs/dbraw/zinc/14/24/27/759142427.db2.gz HCFNAJOAPUQLKX-QCLAVDOMSA-N 2 1 366.296 3.217 20 30 FGEDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083172584 494002644 /nfs/dbraw/zinc/00/26/44/494002644.db2.gz NRRCYLLYKJUJGF-GOSISDBHSA-N 2 1 374.554 3.169 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000083172584 494002646 /nfs/dbraw/zinc/00/26/46/494002646.db2.gz NRRCYLLYKJUJGF-GOSISDBHSA-N 2 1 374.554 3.169 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965532 494293146 /nfs/dbraw/zinc/29/31/46/494293146.db2.gz PJNSMYLPQZFRTG-UYAOXDASSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965532 494293149 /nfs/dbraw/zinc/29/31/49/494293149.db2.gz PJNSMYLPQZFRTG-UYAOXDASSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000072965532 494293153 /nfs/dbraw/zinc/29/31/53/494293153.db2.gz PJNSMYLPQZFRTG-UYAOXDASSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574183238 505714478 /nfs/dbraw/zinc/71/44/78/505714478.db2.gz WAOAHIKLULXJFP-OTWHNJEPSA-N 2 1 354.542 3.483 20 30 FGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574183238 505714481 /nfs/dbraw/zinc/71/44/81/505714481.db2.gz WAOAHIKLULXJFP-OTWHNJEPSA-N 2 1 354.542 3.483 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N(C)CCC#N ZINC000112529647 495201171 /nfs/dbraw/zinc/20/11/71/495201171.db2.gz IASDKRWVTKEUID-OTWHNJEPSA-N 2 1 370.541 3.015 20 30 FGEDMP C#CCCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000113314895 495295371 /nfs/dbraw/zinc/29/53/71/495295371.db2.gz OUMVWNMIQGTIJW-UHFFFAOYSA-N 2 1 364.489 3.211 20 30 FGEDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113326807 495296808 /nfs/dbraw/zinc/29/68/08/495296808.db2.gz IMSVBAHUJKXXOU-GOSISDBHSA-N 2 1 351.498 3.285 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185727884 495699940 /nfs/dbraw/zinc/69/99/40/495699940.db2.gz FNPWONKKGLIBNE-GDBMZVCRSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727884 495699944 /nfs/dbraw/zinc/69/99/44/495699944.db2.gz FNPWONKKGLIBNE-GDBMZVCRSA-N 2 1 374.916 3.393 20 30 FGEDMP C=C(C)CN(CC)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184747060 496517050 /nfs/dbraw/zinc/51/70/50/496517050.db2.gz FWRFOUNMGUVAIA-RTBURBONSA-N 2 1 357.542 3.157 20 30 FGEDMP C=CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000245903507 497565377 /nfs/dbraw/zinc/56/53/77/497565377.db2.gz BOOAWOBIXQCEFL-NHCUHLMSSA-N 2 1 355.526 3.218 20 30 FGEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC3(C#N)CCCCC3)CC2)CC1 ZINC000575770988 506000594 /nfs/dbraw/zinc/00/05/94/506000594.db2.gz FNVYCHLLRKRULZ-UHFFFAOYSA-N 2 1 374.573 3.117 20 30 FGEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000282543776 498551640 /nfs/dbraw/zinc/55/16/40/498551640.db2.gz RRJMUWDGPAKDPI-YADHBBJMSA-N 2 1 363.505 3.482 20 30 FGEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000282543776 498551643 /nfs/dbraw/zinc/55/16/43/498551643.db2.gz RRJMUWDGPAKDPI-YADHBBJMSA-N 2 1 363.505 3.482 20 30 FGEDMP COc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000303864998 498722582 /nfs/dbraw/zinc/72/25/82/498722582.db2.gz BLUIXDMPZSLICT-OAHLLOKOSA-N 2 1 358.511 3.396 20 30 FGEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000363590135 498892195 /nfs/dbraw/zinc/89/21/95/498892195.db2.gz QWLQRCNCJZPXOL-IBGZPJMESA-N 2 1 368.481 3.146 20 30 FGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000363590135 498892199 /nfs/dbraw/zinc/89/21/99/498892199.db2.gz QWLQRCNCJZPXOL-IBGZPJMESA-N 2 1 368.481 3.146 20 30 FGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426436200 500272565 /nfs/dbraw/zinc/27/25/65/500272565.db2.gz HKJYIOLJUVAULT-IBGZPJMESA-N 2 1 368.443 3.490 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000438449819 500787102 /nfs/dbraw/zinc/78/71/02/500787102.db2.gz DENUOIFMTPSBTB-UHFFFAOYSA-N 2 1 371.544 3.305 20 30 FGEDMP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000596059147 506232864 /nfs/dbraw/zinc/23/28/64/506232864.db2.gz NCFJBNXTAANXPG-FQEVSTJZSA-N 2 1 352.526 3.239 20 30 FGEDMP C=CCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000441377009 501130529 /nfs/dbraw/zinc/13/05/29/501130529.db2.gz BPGZRHCDMOPYCK-UHFFFAOYSA-N 2 1 351.922 3.020 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000482151619 501991596 /nfs/dbraw/zinc/99/15/96/501991596.db2.gz OQDQBWVYJRUAMO-QYZOEREBSA-N 2 1 362.562 3.208 20 30 FGEDMP C[C@@H]([NH2+]CC1(C[NH2+][C@H](C)c2cccc(C#N)c2)COC1)c1cccc(C#N)c1 ZINC000611798266 506307691 /nfs/dbraw/zinc/30/76/91/506307691.db2.gz HRHPTUJUPGGISC-QZTJIDSGSA-N 2 1 374.488 3.448 20 30 FGEDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000539497932 504590739 /nfs/dbraw/zinc/59/07/39/504590739.db2.gz AAYSVGFMNOTMOB-LPHOPBHVSA-N 2 1 354.523 3.259 20 30 FGEDMP N#Cc1cnn2cc(C[NH2+]Cc3cccc(C[NH+]4CCCCCC4)c3)cnc12 ZINC000559868142 504940893 /nfs/dbraw/zinc/94/08/93/504940893.db2.gz ACFUMQONKNFBIE-UHFFFAOYSA-N 2 1 374.492 3.267 20 30 FGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891944 504945073 /nfs/dbraw/zinc/94/50/73/504945073.db2.gz GYBMBHHMYDUUDO-QHAWAJNXSA-N 2 1 353.510 3.197 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657764 506558355 /nfs/dbraw/zinc/55/83/55/506558355.db2.gz LLZLMMUQLMFOFD-UTKZUKDTSA-N 2 1 358.530 3.013 20 30 FGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600727543 507085749 /nfs/dbraw/zinc/08/57/49/507085749.db2.gz XFRLSOLJRGLCOE-LJQANCHMSA-N 2 1 353.466 3.056 20 30 FGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)N(C)Cc1ccco1 ZINC000122977220 700698512 /nfs/dbraw/zinc/69/85/12/700698512.db2.gz GNPDAZMVVWASJC-YJBOKZPZSA-N 2 1 360.527 3.431 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262049706 713717746 /nfs/dbraw/zinc/71/77/46/713717746.db2.gz VOAMXVHIJMLHNZ-GUYCJALGSA-N 2 1 352.885 3.319 20 30 FGEDMP [NH2+]=C(NCCc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303894034 713789851 /nfs/dbraw/zinc/78/98/51/713789851.db2.gz SIEMLABWYIKWJW-SFHVURJKSA-N 2 1 356.539 3.107 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662447886 720429446 /nfs/dbraw/zinc/42/94/46/720429446.db2.gz CBJCQZXJHUXLBK-INIZCTEOSA-N 2 1 356.297 3.021 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818989145 727335262 /nfs/dbraw/zinc/33/52/62/727335262.db2.gz ZIWREKABGUASTC-FXAWDEMLSA-N 2 1 355.507 3.155 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818989145 727335263 /nfs/dbraw/zinc/33/52/63/727335263.db2.gz ZIWREKABGUASTC-FXAWDEMLSA-N 2 1 355.507 3.155 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823789924 729305002 /nfs/dbraw/zinc/30/50/02/729305002.db2.gz SJPZDMVTDQKMHM-IAGOWNOFSA-N 2 1 351.535 3.262 20 30 FGEDMP CS[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H](SC)C3)c2)C1 ZINC000878665770 736905642 /nfs/dbraw/zinc/90/56/42/736905642.db2.gz LPLHCADQTSVQKA-RTBURBONSA-N 2 1 361.580 3.433 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000050032944 493893531 /nfs/dbraw/zinc/89/35/31/493893531.db2.gz LYBDDRMFFQBLMU-IBGZPJMESA-N 2 1 367.537 3.022 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)CC1 ZINC000052209362 494011217 /nfs/dbraw/zinc/01/12/17/494011217.db2.gz IDMIJOZIRYQNQN-UHFFFAOYSA-N 2 1 362.562 3.115 20 30 FGEDMP N#CCCn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000093597084 494903066 /nfs/dbraw/zinc/90/30/66/494903066.db2.gz RFAQFGXYNMOEMG-LJQANCHMSA-N 2 1 363.509 3.381 20 30 FGEDMP N#CCCn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000093597084 494903067 /nfs/dbraw/zinc/90/30/67/494903067.db2.gz RFAQFGXYNMOEMG-LJQANCHMSA-N 2 1 363.509 3.381 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc1OC ZINC000104191372 495271125 /nfs/dbraw/zinc/27/11/25/495271125.db2.gz MAKYYCUCIGPJHA-INIZCTEOSA-N 2 1 372.469 3.169 20 30 FGEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387623 495851017 /nfs/dbraw/zinc/85/10/17/495851017.db2.gz CGBOJWOJJZPCKA-IBGZPJMESA-N 2 1 368.525 3.130 20 30 FGEDMP COc1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1C#N ZINC000174304391 495902347 /nfs/dbraw/zinc/90/23/47/495902347.db2.gz LMOWYSZVDXCISQ-KRWDZBQOSA-N 2 1 365.477 3.077 20 30 FGEDMP COc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1C#N ZINC000174304391 495902352 /nfs/dbraw/zinc/90/23/52/495902352.db2.gz LMOWYSZVDXCISQ-KRWDZBQOSA-N 2 1 365.477 3.077 20 30 FGEDMP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000277569201 496816199 /nfs/dbraw/zinc/81/61/99/496816199.db2.gz SMCFCPKGBPDINA-FQEVSTJZSA-N 2 1 351.498 3.380 20 30 FGEDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000277569201 496816204 /nfs/dbraw/zinc/81/62/04/496816204.db2.gz SMCFCPKGBPDINA-FQEVSTJZSA-N 2 1 351.498 3.380 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271911813 497485809 /nfs/dbraw/zinc/48/58/09/497485809.db2.gz FCHNMZFTMIRRDG-QGZVFWFLSA-N 2 1 366.484 3.296 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000277048141 497725948 /nfs/dbraw/zinc/72/59/48/497725948.db2.gz CFQUEMYBPQWUNA-UHFFFAOYSA-N 2 1 367.497 3.104 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000277048141 497725954 /nfs/dbraw/zinc/72/59/54/497725954.db2.gz CFQUEMYBPQWUNA-UHFFFAOYSA-N 2 1 367.497 3.104 20 30 FGEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC1([NH+]3CCSCC3)CCCC1)C2 ZINC000329806842 497908574 /nfs/dbraw/zinc/90/85/74/497908574.db2.gz BHMYCGFSAFQBOQ-MRXNPFEDSA-N 2 1 362.543 3.072 20 30 FGEDMP CC(C)OCC[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286220116 498329243 /nfs/dbraw/zinc/32/92/43/498329243.db2.gz SKANPDJHFZKVGD-UHFFFAOYSA-N 2 1 370.541 3.006 20 30 FGEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000282543760 498552065 /nfs/dbraw/zinc/55/20/65/498552065.db2.gz RRJMUWDGPAKDPI-FCHUYYIVSA-N 2 1 363.505 3.482 20 30 FGEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000282543760 498552072 /nfs/dbraw/zinc/55/20/72/498552072.db2.gz RRJMUWDGPAKDPI-FCHUYYIVSA-N 2 1 363.505 3.482 20 30 FGEDMP COc1cc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1C#N ZINC000367036043 499137588 /nfs/dbraw/zinc/13/75/88/499137588.db2.gz MCLIJHBXOYAYRJ-UHFFFAOYSA-N 2 1 365.481 3.075 20 30 FGEDMP COc1cc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccc1C#N ZINC000367036043 499137590 /nfs/dbraw/zinc/13/75/90/499137590.db2.gz MCLIJHBXOYAYRJ-UHFFFAOYSA-N 2 1 365.481 3.075 20 30 FGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)cc1 ZINC000367422706 499197248 /nfs/dbraw/zinc/19/72/48/499197248.db2.gz MHIWWVHFJMMYMW-KRWDZBQOSA-N 2 1 350.466 3.473 20 30 FGEDMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000369114892 499367116 /nfs/dbraw/zinc/36/71/16/499367116.db2.gz FPTQLLCQJKWMEH-UHFFFAOYSA-N 2 1 352.526 3.063 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336425 499422247 /nfs/dbraw/zinc/42/22/47/499422247.db2.gz GNODZAFBXYHPJO-LMNJBCLMSA-N 2 1 355.526 3.467 20 30 FGEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229929 500820620 /nfs/dbraw/zinc/82/06/20/500820620.db2.gz XVLXKYCXKLHKQP-CVEARBPZSA-N 2 1 360.527 3.045 20 30 FGEDMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#CC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469106 503562158 /nfs/dbraw/zinc/56/21/58/503562158.db2.gz OANMBDTYZPNDLQ-MYGLTJDJSA-N 2 1 364.574 3.021 20 30 FGEDMP C[C@H](O)C[C@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469106 503562161 /nfs/dbraw/zinc/56/21/61/503562161.db2.gz OANMBDTYZPNDLQ-MYGLTJDJSA-N 2 1 364.574 3.021 20 30 FGEDMP C[C@H](O)C[C@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469106 503562164 /nfs/dbraw/zinc/56/21/64/503562164.db2.gz OANMBDTYZPNDLQ-MYGLTJDJSA-N 2 1 364.574 3.021 20 30 FGEDMP C[C@H](O)C[C@@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469100 503562451 /nfs/dbraw/zinc/56/24/51/503562451.db2.gz OANMBDTYZPNDLQ-CMOCDZPBSA-N 2 1 364.574 3.021 20 30 FGEDMP C[N@@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000537296562 503872725 /nfs/dbraw/zinc/87/27/25/503872725.db2.gz XLZALTLZCPUIOG-UHFFFAOYSA-N 2 1 354.542 3.377 20 30 FGEDMP COCC[C@@H]1CCCC[NH+](CC#CC[N@@H+]2CCCC[C@@H](CCOC)C2)C1 ZINC000551395932 505217057 /nfs/dbraw/zinc/21/70/57/505217057.db2.gz WTKMKHIGXHYACE-VXKWHMMOSA-N 2 1 364.574 3.267 20 30 FGEDMP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)c(C#N)c1C ZINC000603111588 506423861 /nfs/dbraw/zinc/42/38/61/506423861.db2.gz RZROHGUAAGZDTK-MRXNPFEDSA-N 2 1 360.502 3.293 20 30 FGEDMP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)c(C#N)c1C ZINC000603111588 506423866 /nfs/dbraw/zinc/42/38/66/506423866.db2.gz RZROHGUAAGZDTK-MRXNPFEDSA-N 2 1 360.502 3.293 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716391 507079203 /nfs/dbraw/zinc/07/92/03/507079203.db2.gz KYYCKARGMQSFPH-UEXGIBASSA-N 2 1 355.526 3.309 20 30 FGEDMP CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440445 507132439 /nfs/dbraw/zinc/13/24/39/507132439.db2.gz CKFDBQXIBXNWHT-NHCUHLMSSA-N 2 1 370.541 3.301 20 30 FGEDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073195 507379432 /nfs/dbraw/zinc/37/94/32/507379432.db2.gz SYGVWVVBMGFWIZ-HNAYVOBHSA-N 2 1 353.441 3.115 20 30 FGEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000592183607 507527557 /nfs/dbraw/zinc/52/75/57/507527557.db2.gz KQSZCUKLGMTSLM-HXUWFJFHSA-N 2 1 368.525 3.055 20 30 FGEDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4cc(C#N)ccc43)cc2)CC1 ZINC000611391165 507659651 /nfs/dbraw/zinc/65/96/51/507659651.db2.gz XVXJKKUFDFGXSM-XMMPIXPASA-N 2 1 374.532 3.473 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896729 507731455 /nfs/dbraw/zinc/73/14/55/507731455.db2.gz WKLZREBTHCDWFC-BQFCYCMXSA-N 2 1 367.415 3.295 20 30 FGEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160754730 705260640 /nfs/dbraw/zinc/26/06/40/705260640.db2.gz OYNZNXJOUYNFTA-CYBMUJFWSA-N 2 1 358.408 3.290 20 30 FGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570762 493918737 /nfs/dbraw/zinc/91/87/37/493918737.db2.gz MALCHGMWIMYMHK-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570762 493918742 /nfs/dbraw/zinc/91/87/42/493918742.db2.gz MALCHGMWIMYMHK-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570762 493918747 /nfs/dbraw/zinc/91/87/47/493918747.db2.gz MALCHGMWIMYMHK-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570762 493918750 /nfs/dbraw/zinc/91/87/50/493918750.db2.gz MALCHGMWIMYMHK-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121646915 494829609 /nfs/dbraw/zinc/82/96/09/494829609.db2.gz LCVZKDHXHJMPSF-AWEZNQCLSA-N 2 1 374.554 3.099 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000574393059 505763144 /nfs/dbraw/zinc/76/31/44/505763144.db2.gz OXUITPQXDBFMGT-IBGZPJMESA-N 2 1 363.505 3.395 20 30 FGEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000580459109 505764661 /nfs/dbraw/zinc/76/46/61/505764661.db2.gz AZFIMUHQFISXNN-ROUUACIJSA-N 2 1 373.504 3.452 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136866011 495407058 /nfs/dbraw/zinc/40/70/58/495407058.db2.gz JUDPERCFPCLDDG-IEBWSBKVSA-N 2 1 366.509 3.470 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698706 495686618 /nfs/dbraw/zinc/68/66/18/495686618.db2.gz SITCOVZQMMCRHO-HLLBOEOZSA-N 2 1 372.513 3.338 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698706 495686627 /nfs/dbraw/zinc/68/66/27/495686627.db2.gz SITCOVZQMMCRHO-HLLBOEOZSA-N 2 1 372.513 3.338 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151140409 495751625 /nfs/dbraw/zinc/75/16/25/495751625.db2.gz RMDWTZYTRNKHIM-UWJYYQICSA-N 2 1 368.525 3.061 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151140409 495751632 /nfs/dbraw/zinc/75/16/32/495751632.db2.gz RMDWTZYTRNKHIM-UWJYYQICSA-N 2 1 368.525 3.061 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183686255 496079052 /nfs/dbraw/zinc/07/90/52/496079052.db2.gz FFZNQQYZOFWCAC-IAGOWNOFSA-N 2 1 352.482 3.420 20 30 FGEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)C[C@@H](C)O1 ZINC000177500813 496087743 /nfs/dbraw/zinc/08/77/43/496087743.db2.gz KHZAASFGBDIAMN-IAGOWNOFSA-N 2 1 359.489 3.409 20 30 FGEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182266019 496723499 /nfs/dbraw/zinc/72/34/99/496723499.db2.gz VJRUIBBASIAYOS-GCJKJVERSA-N 2 1 364.489 3.116 20 30 FGEDMP C[N@@H+](CCN1CC[NH+](CCCCC(C)(C)C#N)CC1)Cc1ccccc1 ZINC000277682607 496851029 /nfs/dbraw/zinc/85/10/29/496851029.db2.gz KQDVBBYYGFAUIR-UHFFFAOYSA-N 2 1 356.558 3.456 20 30 FGEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248009125 496942670 /nfs/dbraw/zinc/94/26/70/496942670.db2.gz LCJIDRROAJSZCW-ZVDOUQERSA-N 2 1 368.525 3.046 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278741941 497206200 /nfs/dbraw/zinc/20/62/00/497206200.db2.gz AHEJAHWVUBIWID-QGZVFWFLSA-N 2 1 358.530 3.212 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC000569351295 505914649 /nfs/dbraw/zinc/91/46/49/505914649.db2.gz XKJABESVSVRIOC-RRFGBZISSA-N 2 1 374.525 3.098 20 30 FGEDMP C[C@H]1[C@H](C)N(C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)CCN1C ZINC000329840043 497921124 /nfs/dbraw/zinc/92/11/24/497921124.db2.gz WFIPJVRHXFOZPY-HOTGVXAUSA-N 2 1 367.497 3.456 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[C@H]3CCCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000330295806 498096869 /nfs/dbraw/zinc/09/68/69/498096869.db2.gz JPKOFIRMAUACIY-GOSISDBHSA-N 2 1 359.518 3.283 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000330295806 498096877 /nfs/dbraw/zinc/09/68/77/498096877.db2.gz JPKOFIRMAUACIY-GOSISDBHSA-N 2 1 359.518 3.283 20 30 FGEDMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(OCC#N)cc1 ZINC000362032862 498455447 /nfs/dbraw/zinc/45/54/47/498455447.db2.gz QYKXXHJRCBSKAO-GOSISDBHSA-N 2 1 364.493 3.342 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329458218 499124093 /nfs/dbraw/zinc/12/40/93/499124093.db2.gz QXQSOTOEFSDNEQ-CABCVRRESA-N 2 1 359.470 3.246 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329458218 499124095 /nfs/dbraw/zinc/12/40/95/499124095.db2.gz QXQSOTOEFSDNEQ-CABCVRRESA-N 2 1 359.470 3.246 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122883 506139230 /nfs/dbraw/zinc/13/92/30/506139230.db2.gz KCUHQSPQSGOOTH-QGZVFWFLSA-N 2 1 366.513 3.077 20 30 FGEDMP C[N@@H+](Cc1cccn1Cc1ccccc1C#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375975551 499573182 /nfs/dbraw/zinc/57/31/82/499573182.db2.gz RJKMICPOZHZRSJ-GOSISDBHSA-N 2 1 359.477 3.299 20 30 FGEDMP C[N@H+](Cc1cccn1Cc1ccccc1C#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375975551 499573184 /nfs/dbraw/zinc/57/31/84/499573184.db2.gz RJKMICPOZHZRSJ-GOSISDBHSA-N 2 1 359.477 3.299 20 30 FGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000576436587 506157935 /nfs/dbraw/zinc/15/79/35/506157935.db2.gz WXRPAZXGJHHCIO-DEOSSOPVSA-N 2 1 374.532 3.473 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3COc4ccc(F)cc43)CC2)cc1 ZINC000463281742 502744837 /nfs/dbraw/zinc/74/48/37/502744837.db2.gz QIVKCWFBARKOOO-HXUWFJFHSA-N 2 1 351.425 3.385 20 30 FGEDMP Cc1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000512479593 503566484 /nfs/dbraw/zinc/56/64/84/503566484.db2.gz HPNWCEABCPGYCV-DEOSSOPVSA-N 2 1 374.532 3.259 20 30 FGEDMP Cc1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000512479593 503566487 /nfs/dbraw/zinc/56/64/87/503566487.db2.gz HPNWCEABCPGYCV-DEOSSOPVSA-N 2 1 374.532 3.259 20 30 FGEDMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471081 504150567 /nfs/dbraw/zinc/15/05/67/504150567.db2.gz SYLOETABLKRVAA-LJQANCHMSA-N 2 1 373.460 3.320 20 30 FGEDMP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891942 504945025 /nfs/dbraw/zinc/94/50/25/504945025.db2.gz GYBMBHHMYDUUDO-NJDAHSKKSA-N 2 1 353.510 3.197 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000582840395 506450171 /nfs/dbraw/zinc/45/01/71/506450171.db2.gz VEILPDUPYZXBMV-KXBFYZLASA-N 2 1 352.906 3.019 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594441533 507135824 /nfs/dbraw/zinc/13/58/24/507135824.db2.gz SJMUTTFEHKFXGB-YLJYHZDGSA-N 2 1 356.514 3.088 20 30 FGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598718441 507566980 /nfs/dbraw/zinc/56/69/80/507566980.db2.gz FFMJHWSUHKOYTM-LJQANCHMSA-N 2 1 355.482 3.302 20 30 FGEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683200 713728451 /nfs/dbraw/zinc/72/84/51/713728451.db2.gz XFTUBQOFJUJPEB-IVMMDQJWSA-N 2 1 354.420 3.026 20 30 FGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000623356354 715317856 /nfs/dbraw/zinc/31/78/56/715317856.db2.gz KWLANJPWVMSVHX-AWEZNQCLSA-N 2 1 350.890 3.487 20 30 FGEDMP C=CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC000661760506 720315417 /nfs/dbraw/zinc/31/54/17/720315417.db2.gz WNBPLGSKALMMTI-UHFFFAOYSA-N 2 1 361.555 3.460 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845933611 730910494 /nfs/dbraw/zinc/91/04/94/730910494.db2.gz JGUZTPRVBRGJAQ-UHFFFAOYSA-N 2 1 351.535 3.310 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876890821 736158553 /nfs/dbraw/zinc/15/85/53/736158553.db2.gz JYWLWERPSDKGQK-YESZJQIVSA-N 2 1 371.859 3.075 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876890821 736158555 /nfs/dbraw/zinc/15/85/55/736158555.db2.gz JYWLWERPSDKGQK-YESZJQIVSA-N 2 1 371.859 3.075 20 30 FGEDMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc(C#N)cnc2Cl)cc1 ZINC000877007066 736173778 /nfs/dbraw/zinc/17/37/78/736173778.db2.gz BVFADULMQFLKFK-UHFFFAOYSA-N 2 1 358.873 3.227 20 30 FGEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)[C@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000878304400 736802875 /nfs/dbraw/zinc/80/28/75/736802875.db2.gz MYUIHIXLYXTJMM-KDURUIRLSA-N 2 1 361.580 3.433 20 30 FGEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)[C@@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000878304400 736802879 /nfs/dbraw/zinc/80/28/79/736802879.db2.gz MYUIHIXLYXTJMM-KDURUIRLSA-N 2 1 361.580 3.433 20 30 FGEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)[C@@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000878304400 736802884 /nfs/dbraw/zinc/80/28/84/736802884.db2.gz MYUIHIXLYXTJMM-KDURUIRLSA-N 2 1 361.580 3.433 20 30 FGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193975 739228185 /nfs/dbraw/zinc/22/81/85/739228185.db2.gz GLBCJKHUXYMTIY-ZWKOTPCHSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193975 739228188 /nfs/dbraw/zinc/22/81/88/739228188.db2.gz GLBCJKHUXYMTIY-ZWKOTPCHSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193975 739228193 /nfs/dbraw/zinc/22/81/93/739228193.db2.gz GLBCJKHUXYMTIY-ZWKOTPCHSA-N 2 1 361.555 3.255 20 30 FGEDMP C=C(Cl)C[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047243560 766632080 /nfs/dbraw/zinc/63/20/80/766632080.db2.gz ZGZKARPPLMCSOM-BHIYHBOVSA-N 2 1 367.965 3.030 20 30 FGEDMP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@H]1CCCC[NH+]1C ZINC000072725067 494241536 /nfs/dbraw/zinc/24/15/36/494241536.db2.gz LDNUFEXUHJVFPY-QGZVFWFLSA-N 2 1 362.905 3.346 20 30 FGEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000072725067 494241541 /nfs/dbraw/zinc/24/15/41/494241541.db2.gz LDNUFEXUHJVFPY-QGZVFWFLSA-N 2 1 362.905 3.346 20 30 FGEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@H]1CCCC[N@H+]1C ZINC000072725067 494241547 /nfs/dbraw/zinc/24/15/47/494241547.db2.gz LDNUFEXUHJVFPY-QGZVFWFLSA-N 2 1 362.905 3.346 20 30 FGEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000092821049 494763612 /nfs/dbraw/zinc/76/36/12/494763612.db2.gz JABCRWGDIWHWEY-QFIPXVFZSA-N 2 1 364.493 3.225 20 30 FGEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135164360 495257953 /nfs/dbraw/zinc/25/79/53/495257953.db2.gz AKMQZRKTAVRERT-BGYRXZFFSA-N 2 1 368.569 3.478 20 30 FGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135164360 495257955 /nfs/dbraw/zinc/25/79/55/495257955.db2.gz AKMQZRKTAVRERT-BGYRXZFFSA-N 2 1 368.569 3.478 20 30 FGEDMP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125010765 495377258 /nfs/dbraw/zinc/37/72/58/495377258.db2.gz OMMSXXBLQUFOER-ZWKOTPCHSA-N 2 1 359.514 3.038 20 30 FGEDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000182734463 495681882 /nfs/dbraw/zinc/68/18/82/495681882.db2.gz WPIHEQSSJVEMJS-UHFFFAOYSA-N 2 1 356.514 3.331 20 30 FGEDMP CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247007337 496749495 /nfs/dbraw/zinc/74/94/95/496749495.db2.gz IVTYNHVWSDWYNQ-KAGYGMCKSA-N 2 1 370.541 3.026 20 30 FGEDMP C[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000329772382 497896584 /nfs/dbraw/zinc/89/65/84/497896584.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 2 1 367.497 3.166 20 30 FGEDMP C[C@@H]1C[C@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000329772382 497896591 /nfs/dbraw/zinc/89/65/91/497896591.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 2 1 367.497 3.166 20 30 FGEDMP CC[NH+](CC)CCC[N@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289499438 498170913 /nfs/dbraw/zinc/17/09/13/498170913.db2.gz SRKBBHFRZSBLKO-UHFFFAOYSA-N 2 1 368.529 3.413 20 30 FGEDMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289499438 498170920 /nfs/dbraw/zinc/17/09/20/498170920.db2.gz SRKBBHFRZSBLKO-UHFFFAOYSA-N 2 1 368.529 3.413 20 30 FGEDMP Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000369198393 499376305 /nfs/dbraw/zinc/37/63/05/499376305.db2.gz ODKUFTMEHXFNKS-UHFFFAOYSA-N 2 1 363.509 3.267 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424298269 500483108 /nfs/dbraw/zinc/48/31/08/500483108.db2.gz UGMLSTJKZKDWKB-INIZCTEOSA-N 2 1 359.539 3.367 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536703508 503687813 /nfs/dbraw/zinc/68/78/13/503687813.db2.gz QEWIDSMMTWUXAG-IBGZPJMESA-N 2 1 370.541 3.209 20 30 FGEDMP N#CC1(C[C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000528513790 504254956 /nfs/dbraw/zinc/25/49/56/504254956.db2.gz VUIQBKNOKLDTIV-HXUWFJFHSA-N 2 1 353.510 3.029 20 30 FGEDMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556108992 504798563 /nfs/dbraw/zinc/79/85/63/504798563.db2.gz DCLBIYQXBNNSDK-QFIPXVFZSA-N 2 1 354.542 3.329 20 30 FGEDMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000556108992 504798565 /nfs/dbraw/zinc/79/85/65/504798565.db2.gz DCLBIYQXBNNSDK-QFIPXVFZSA-N 2 1 354.542 3.329 20 30 FGEDMP CC(C)[NH+]1CCCC[C@H]1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000556108992 504798568 /nfs/dbraw/zinc/79/85/68/504798568.db2.gz DCLBIYQXBNNSDK-QFIPXVFZSA-N 2 1 354.542 3.329 20 30 FGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596994807 506721073 /nfs/dbraw/zinc/72/10/73/506721073.db2.gz DTOPDRPRKBYJDW-BGYRXZFFSA-N 2 1 366.553 3.232 20 30 FGEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596994807 506721077 /nfs/dbraw/zinc/72/10/77/506721077.db2.gz DTOPDRPRKBYJDW-BGYRXZFFSA-N 2 1 366.553 3.232 20 30 FGEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596994807 506721080 /nfs/dbraw/zinc/72/10/80/506721080.db2.gz DTOPDRPRKBYJDW-BGYRXZFFSA-N 2 1 366.553 3.232 20 30 FGEDMP COc1ccc(F)c(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000598647046 507531291 /nfs/dbraw/zinc/53/12/91/507531291.db2.gz JYIRYVLDSDRWAG-UHFFFAOYSA-N 2 1 353.441 3.460 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(NCC[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000602020381 507557100 /nfs/dbraw/zinc/55/71/00/507557100.db2.gz KUBOZYMDQXOSKS-JOCHJYFZSA-N 2 1 362.521 3.072 20 30 FGEDMP C[N@H+]1C[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H](c2ccccc2)C1 ZINC000592376437 507626947 /nfs/dbraw/zinc/62/69/47/507626947.db2.gz MTJLEGFECULYLJ-QPPBQGQZSA-N 2 1 374.532 3.462 20 30 FGEDMP C[C@@H](NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000262475807 713726293 /nfs/dbraw/zinc/72/62/93/713726293.db2.gz PSJKNLLJPAOUNI-PWSUYJOCSA-N 2 1 352.269 3.170 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000822455459 729176831 /nfs/dbraw/zinc/17/68/31/729176831.db2.gz FVOXQDVINSEFDN-AEFFLSMTSA-N 2 1 351.535 3.405 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000848528740 731175661 /nfs/dbraw/zinc/17/56/61/731175661.db2.gz OMGWETHEJPJUCV-QZTJIDSGSA-N 2 1 351.535 3.452 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876890819 736158527 /nfs/dbraw/zinc/15/85/27/736158527.db2.gz JYWLWERPSDKGQK-GVDBMIGSSA-N 2 1 371.859 3.075 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876890819 736158530 /nfs/dbraw/zinc/15/85/30/736158530.db2.gz JYWLWERPSDKGQK-GVDBMIGSSA-N 2 1 371.859 3.075 20 30 FGEDMP FC1(F)[C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529278 759141978 /nfs/dbraw/zinc/14/19/78/759141978.db2.gz BRRXLSYTQOUHOC-BBBLOLIVSA-N 2 1 366.296 3.089 20 30 FGEDMP C=CCOc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000077202594 494032438 /nfs/dbraw/zinc/03/24/38/494032438.db2.gz UJIGKZPXDQIHOX-IBGZPJMESA-N 2 1 374.529 3.131 20 30 FGEDMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000116396302 494773995 /nfs/dbraw/zinc/77/39/95/494773995.db2.gz IYCVBAXZDAETHE-CXAGYDPISA-N 2 1 364.921 3.495 20 30 FGEDMP C=CCc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc(OC)c1O ZINC000121771109 494857190 /nfs/dbraw/zinc/85/71/90/494857190.db2.gz KUJBIPKOLGPIPX-UHFFFAOYSA-N 2 1 355.482 3.318 20 30 FGEDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113330768 495297920 /nfs/dbraw/zinc/29/79/20/495297920.db2.gz BKMXXRRPBDQADH-SFHVURJKSA-N 2 1 351.498 3.285 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719235 495696508 /nfs/dbraw/zinc/69/65/08/495696508.db2.gz FEUYMSYMMSCAMW-GOEBONIOSA-N 2 1 360.527 3.191 20 30 FGEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174353392 495923868 /nfs/dbraw/zinc/92/38/68/495923868.db2.gz YSZBZECZRMBVOP-OAHLLOKOSA-N 2 1 356.445 3.283 20 30 FGEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544550 496335769 /nfs/dbraw/zinc/33/57/69/496335769.db2.gz IIHUVJHXXHQOBU-HXUWFJFHSA-N 2 1 368.525 3.475 20 30 FGEDMP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062978 505913010 /nfs/dbraw/zinc/91/30/10/505913010.db2.gz FYJFJFOENDJQER-QGZVFWFLSA-N 2 1 365.437 3.379 20 30 FGEDMP N#Cc1ccc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062978 505913012 /nfs/dbraw/zinc/91/30/12/505913012.db2.gz FYJFJFOENDJQER-QGZVFWFLSA-N 2 1 365.437 3.379 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)Cc3cc(F)ccc32)CC1 ZINC000364871971 498185284 /nfs/dbraw/zinc/18/52/84/498185284.db2.gz LLFXLRAJUPXXME-NRFANRHFSA-N 2 1 359.489 3.249 20 30 FGEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000362105078 498466392 /nfs/dbraw/zinc/46/63/92/498466392.db2.gz FTJBFTXGGLTARZ-INIZCTEOSA-N 2 1 372.538 3.145 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000576220544 506105909 /nfs/dbraw/zinc/10/59/09/506105909.db2.gz VTUMTUODLQBVKU-NRFANRHFSA-N 2 1 354.494 3.210 20 30 FGEDMP C=CCC(CC=C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370441221 499221079 /nfs/dbraw/zinc/22/10/79/499221079.db2.gz KYUAMXMLIOZHCC-UHFFFAOYSA-N 2 1 361.574 3.410 20 30 FGEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2)C1CC1 ZINC000371320899 499309984 /nfs/dbraw/zinc/30/99/84/499309984.db2.gz KLWGSCLXYOONCJ-SFHVURJKSA-N 2 1 366.509 3.083 20 30 FGEDMP C=CCC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000368990252 499354029 /nfs/dbraw/zinc/35/40/29/499354029.db2.gz NFVLGQRGOXHHLY-UHFFFAOYSA-N 2 1 361.574 3.388 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414935841 499846372 /nfs/dbraw/zinc/84/63/72/499846372.db2.gz BAYMNJHGHDYVOC-IUODEOHRSA-N 2 1 369.303 3.110 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccc(F)c3C#N)CC2)CC1 ZINC000428212625 500482097 /nfs/dbraw/zinc/48/20/97/500482097.db2.gz ZAPHWAHOBYFUNI-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(F)c3C#N)CC2)CC1 ZINC000428212625 500482099 /nfs/dbraw/zinc/48/20/99/500482099.db2.gz ZAPHWAHOBYFUNI-UHFFFAOYSA-N 3 1 372.532 3.325 20 30 FGEDMP CC[NH+]1CCC(Nc2cc(C)[nH+]c(NC3CC[NH+](CC)CC3)c2C#N)CC1 ZINC000596061121 506235206 /nfs/dbraw/zinc/23/52/06/506235206.db2.gz CMZNQLCUEDZFEB-UHFFFAOYSA-N 3 1 370.545 3.054 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CCn2cncn2)c2ccc(OC)cc2)CC1 ZINC000446828378 501168934 /nfs/dbraw/zinc/16/89/34/501168934.db2.gz UCZNWMHIZFFYDB-NRFANRHFSA-N 2 1 369.513 3.048 20 30 FGEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000452092562 501433289 /nfs/dbraw/zinc/43/32/89/501433289.db2.gz VETHWMSOPKVAMB-UHFFFAOYSA-N 2 1 374.554 3.291 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000482134733 501985563 /nfs/dbraw/zinc/98/55/63/501985563.db2.gz MFIFCZJFKDOQGN-IMFGXOCKSA-N 2 1 356.514 3.375 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000482151618 501990776 /nfs/dbraw/zinc/99/07/76/501990776.db2.gz OQDQBWVYJRUAMO-GBESFXJTSA-N 2 1 362.562 3.208 20 30 FGEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000503078490 503342530 /nfs/dbraw/zinc/34/25/30/503342530.db2.gz YPVQQHIBZRQNJU-UHFFFAOYSA-N 2 1 365.481 3.194 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000532589598 504704123 /nfs/dbraw/zinc/70/41/23/504704123.db2.gz YTXSKISQHKEKOZ-YOEHRIQHSA-N 2 1 362.905 3.345 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000532589598 504704131 /nfs/dbraw/zinc/70/41/31/504704131.db2.gz YTXSKISQHKEKOZ-YOEHRIQHSA-N 2 1 362.905 3.345 20 30 FGEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000557394196 505124067 /nfs/dbraw/zinc/12/40/67/505124067.db2.gz LRGQYFAZUMYGQL-FQEVSTJZSA-N 2 1 354.542 3.485 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716387 507078817 /nfs/dbraw/zinc/07/88/17/507078817.db2.gz KYYCKARGMQSFPH-LVCYWYKZSA-N 2 1 355.526 3.309 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819024278 727339286 /nfs/dbraw/zinc/33/92/86/727339286.db2.gz NGWTXHCUDICVRE-KRWDZBQOSA-N 2 1 353.304 3.113 20 30 FGEDMP CC(C)[N@H+]1CC[C@@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912506430 757342155 /nfs/dbraw/zinc/34/21/55/757342155.db2.gz MXTYFFIPQSTIGQ-INIZCTEOSA-N 2 1 350.576 3.355 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000050032941 493893427 /nfs/dbraw/zinc/89/34/27/493893427.db2.gz LYBDDRMFFQBLMU-LJQANCHMSA-N 2 1 367.537 3.022 20 30 FGEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121987466 494904143 /nfs/dbraw/zinc/90/41/43/494904143.db2.gz ZVZXZPNSJNMHHN-SFHVURJKSA-N 2 1 368.525 3.473 20 30 FGEDMP COc1cccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1 ZINC000104178747 495270744 /nfs/dbraw/zinc/27/07/44/495270744.db2.gz SMBLVGRAUIOXOP-UHFFFAOYSA-N 2 1 353.401 3.255 20 30 FGEDMP C[C@H]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000120332497 495353606 /nfs/dbraw/zinc/35/36/06/495353606.db2.gz AQAUHZKFLUMHDW-PXNSSMCTSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@H]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332497 495353609 /nfs/dbraw/zinc/35/36/09/495353609.db2.gz AQAUHZKFLUMHDW-PXNSSMCTSA-N 2 1 359.477 3.206 20 30 FGEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC[C@@H]1CCC[N@@H+]1C ZINC000125322653 495426229 /nfs/dbraw/zinc/42/62/29/495426229.db2.gz BPNNSEPCFWJMCM-KRWDZBQOSA-N 2 1 363.575 3.069 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720633 495697439 /nfs/dbraw/zinc/69/74/39/495697439.db2.gz ZFHKCLTXIXHMLF-RTBURBONSA-N 2 1 368.525 3.176 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720633 495697441 /nfs/dbraw/zinc/69/74/41/495697441.db2.gz ZFHKCLTXIXHMLF-RTBURBONSA-N 2 1 368.525 3.176 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185752711 495711574 /nfs/dbraw/zinc/71/15/74/495711574.db2.gz QIAPNFYFYDKOOX-RYRKJORJSA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185752711 495711579 /nfs/dbraw/zinc/71/15/79/495711579.db2.gz QIAPNFYFYDKOOX-RYRKJORJSA-N 2 1 354.498 3.128 20 30 FGEDMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000179896187 495774524 /nfs/dbraw/zinc/77/45/24/495774524.db2.gz HILOFEWAKZCUDQ-RTBURBONSA-N 2 1 356.514 3.010 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000183147250 495853823 /nfs/dbraw/zinc/85/38/23/495853823.db2.gz UFVRCPAKWLPNLG-MRXNPFEDSA-N 2 1 365.481 3.174 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000177508209 496090804 /nfs/dbraw/zinc/09/08/04/496090804.db2.gz RABKUBGDIQYTKP-KDURUIRLSA-N 2 1 371.525 3.148 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611976 497056216 /nfs/dbraw/zinc/05/62/16/497056216.db2.gz XTWLDCOXAHCGTN-KAGYGMCKSA-N 2 1 372.553 3.397 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000274834500 497177613 /nfs/dbraw/zinc/17/76/13/497177613.db2.gz NDMXTRHURPNOSK-CRAIPNDOSA-N 2 1 368.506 3.058 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414300 497394476 /nfs/dbraw/zinc/39/44/76/497394476.db2.gz CESJQWQWRMTMAZ-KSSFIOAISA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414300 497394480 /nfs/dbraw/zinc/39/44/80/497394480.db2.gz CESJQWQWRMTMAZ-KSSFIOAISA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000245414300 497394483 /nfs/dbraw/zinc/39/44/83/497394483.db2.gz CESJQWQWRMTMAZ-KSSFIOAISA-N 2 1 362.905 3.202 20 30 FGEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356316 497416589 /nfs/dbraw/zinc/41/65/89/497416589.db2.gz GTWKCMFAPPRDBI-FQEVSTJZSA-N 2 1 366.513 3.165 20 30 FGEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356316 497416592 /nfs/dbraw/zinc/41/65/92/497416592.db2.gz GTWKCMFAPPRDBI-FQEVSTJZSA-N 2 1 366.513 3.165 20 30 FGEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356316 497416596 /nfs/dbraw/zinc/41/65/96/497416596.db2.gz GTWKCMFAPPRDBI-FQEVSTJZSA-N 2 1 366.513 3.165 20 30 FGEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356316 497416600 /nfs/dbraw/zinc/41/66/00/497416600.db2.gz GTWKCMFAPPRDBI-FQEVSTJZSA-N 2 1 366.513 3.165 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000272752630 497720369 /nfs/dbraw/zinc/72/03/69/497720369.db2.gz NYWYSYYIBTZIHD-QRWLVFNGSA-N 2 1 353.441 3.115 20 30 FGEDMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000277298627 497797625 /nfs/dbraw/zinc/79/76/25/497797625.db2.gz UBXHFWPAMRTSDP-OAHLLOKOSA-N 2 1 374.554 3.243 20 30 FGEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000277298627 497797627 /nfs/dbraw/zinc/79/76/27/497797627.db2.gz UBXHFWPAMRTSDP-OAHLLOKOSA-N 2 1 374.554 3.243 20 30 FGEDMP CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329805996 497907987 /nfs/dbraw/zinc/90/79/87/497907987.db2.gz NOTBIMTVOPRXDB-HQSKLWIPSA-N 2 1 359.518 3.012 20 30 FGEDMP CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329805996 497907996 /nfs/dbraw/zinc/90/79/96/497907996.db2.gz NOTBIMTVOPRXDB-HQSKLWIPSA-N 2 1 359.518 3.012 20 30 FGEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329805996 497908001 /nfs/dbraw/zinc/90/80/01/497908001.db2.gz NOTBIMTVOPRXDB-HQSKLWIPSA-N 2 1 359.518 3.012 20 30 FGEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329805996 497908005 /nfs/dbraw/zinc/90/80/05/497908005.db2.gz NOTBIMTVOPRXDB-HQSKLWIPSA-N 2 1 359.518 3.012 20 30 FGEDMP COc1ccc(C[NH2+]CC2CC[NH+](Cc3csc(C)n3)CC2)cc1C#N ZINC000362908486 498576878 /nfs/dbraw/zinc/57/68/78/498576878.db2.gz ZNZGHTUNNTVFCO-UHFFFAOYSA-N 2 1 370.522 3.334 20 30 FGEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC[NH+]1C ZINC000329154305 499057114 /nfs/dbraw/zinc/05/71/14/499057114.db2.gz BHXSBSCAHGRZSO-PWIZWCRZSA-N 2 1 373.545 3.167 20 30 FGEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CCC[N@@H+]1C ZINC000329154305 499057122 /nfs/dbraw/zinc/05/71/22/499057122.db2.gz BHXSBSCAHGRZSO-PWIZWCRZSA-N 2 1 373.545 3.167 20 30 FGEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2)C1CC1 ZINC000371321555 499309897 /nfs/dbraw/zinc/30/98/97/499309897.db2.gz QZBWZZKCJAUOBP-GOSISDBHSA-N 2 1 366.509 3.083 20 30 FGEDMP C=CC[C@@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375641214 499540544 /nfs/dbraw/zinc/54/05/44/499540544.db2.gz QNJCTOVFMJYSPZ-LJQANCHMSA-N 2 1 364.578 3.179 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000449079408 500919702 /nfs/dbraw/zinc/91/97/02/500919702.db2.gz YPWZTTTVLAIQJZ-ORFBVSJDSA-N 2 1 354.542 3.427 20 30 FGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131519 500936788 /nfs/dbraw/zinc/93/67/88/500936788.db2.gz ZNFMCNHCWDICLV-XLIONFOSSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131519 500936790 /nfs/dbraw/zinc/93/67/90/500936790.db2.gz ZNFMCNHCWDICLV-XLIONFOSSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131519 500936791 /nfs/dbraw/zinc/93/67/91/500936791.db2.gz ZNFMCNHCWDICLV-XLIONFOSSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131519 500936793 /nfs/dbraw/zinc/93/67/93/500936793.db2.gz ZNFMCNHCWDICLV-XLIONFOSSA-N 2 1 366.513 3.163 20 30 FGEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677995 506258415 /nfs/dbraw/zinc/25/84/15/506258415.db2.gz ZAMXJNYAKMTOBE-CTNGQTDRSA-N 2 1 355.526 3.445 20 30 FGEDMP C=CCN1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000493644201 503437233 /nfs/dbraw/zinc/43/72/33/503437233.db2.gz SEHDPEMOHDBWBV-LVCYWYKZSA-N 2 1 355.526 3.041 20 30 FGEDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000540976281 503961718 /nfs/dbraw/zinc/96/17/18/503961718.db2.gz LQKZMLZFKRETQX-BEFAXECRSA-N 2 1 372.513 3.398 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000567042403 505346251 /nfs/dbraw/zinc/34/62/51/505346251.db2.gz CIVBVVXHOGGLNF-KRWDZBQOSA-N 2 1 352.906 3.018 20 30 FGEDMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C#N ZINC000599307568 506405627 /nfs/dbraw/zinc/40/56/27/506405627.db2.gz UNDHKWVCGOKLAL-UHFFFAOYSA-N 2 1 368.569 3.495 20 30 FGEDMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000599307568 506405632 /nfs/dbraw/zinc/40/56/32/506405632.db2.gz UNDHKWVCGOKLAL-UHFFFAOYSA-N 3 1 368.569 3.495 20 30 FGEDMP Cc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C#N ZINC000599307568 506405638 /nfs/dbraw/zinc/40/56/38/506405638.db2.gz UNDHKWVCGOKLAL-UHFFFAOYSA-N 3 1 368.569 3.495 20 30 FGEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160697314 705259270 /nfs/dbraw/zinc/25/92/70/705259270.db2.gz PGKHXVIPLOLFIM-CYBMUJFWSA-N 2 1 358.408 3.432 20 30 FGEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000261941787 713716128 /nfs/dbraw/zinc/71/61/28/713716128.db2.gz MUFGCVLNUPHMNU-QGZVFWFLSA-N 2 1 364.603 3.188 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000822455460 729176939 /nfs/dbraw/zinc/17/69/39/729176939.db2.gz FVOXQDVINSEFDN-FUHWJXTLSA-N 2 1 351.535 3.405 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823789925 729305112 /nfs/dbraw/zinc/30/51/12/729305112.db2.gz SJPZDMVTDQKMHM-IRXDYDNUSA-N 2 1 351.535 3.262 20 30 FGEDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193974 739228403 /nfs/dbraw/zinc/22/84/03/739228403.db2.gz GLBCJKHUXYMTIY-ROUUACIJSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193974 739228406 /nfs/dbraw/zinc/22/84/06/739228406.db2.gz GLBCJKHUXYMTIY-ROUUACIJSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193974 739228410 /nfs/dbraw/zinc/22/84/10/739228410.db2.gz GLBCJKHUXYMTIY-ROUUACIJSA-N 2 1 361.555 3.255 20 30 FGEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(N(C)CCC#N)cc2)C[C@H](C)O1 ZINC000067453128 494544251 /nfs/dbraw/zinc/54/42/51/494544251.db2.gz REASGIBRKPVTAH-KDURUIRLSA-N 2 1 358.530 3.015 20 30 FGEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCCCC3)CC2)oc1C ZINC000092278237 494580964 /nfs/dbraw/zinc/58/09/64/494580964.db2.gz XGCXNGIEOGZLPF-UHFFFAOYSA-N 2 1 361.534 3.131 20 30 FGEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253432 494822602 /nfs/dbraw/zinc/82/26/02/494822602.db2.gz ACNHUFVFCSDITA-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253432 494822606 /nfs/dbraw/zinc/82/26/06/494822606.db2.gz ACNHUFVFCSDITA-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253432 494822610 /nfs/dbraw/zinc/82/26/10/494822610.db2.gz ACNHUFVFCSDITA-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253432 494822613 /nfs/dbraw/zinc/82/26/13/494822613.db2.gz ACNHUFVFCSDITA-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP C=C(C)C[NH+]1CCC(NCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000134020163 495094630 /nfs/dbraw/zinc/09/46/30/495094630.db2.gz PRARBNRWYJESRE-UHFFFAOYSA-N 2 1 370.585 3.347 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000134020163 495094632 /nfs/dbraw/zinc/09/46/32/495094632.db2.gz PRARBNRWYJESRE-UHFFFAOYSA-N 3 1 370.585 3.347 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000106034053 495404883 /nfs/dbraw/zinc/40/48/83/495404883.db2.gz ZCPPNIBPAKNDGR-LJQANCHMSA-N 2 1 373.516 3.194 20 30 FGEDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000182758697 495691859 /nfs/dbraw/zinc/69/18/59/495691859.db2.gz SCGQCAYPZLKUND-UHFFFAOYSA-N 2 1 356.514 3.331 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000151144720 495752758 /nfs/dbraw/zinc/75/27/58/495752758.db2.gz ITRSOTXQOUABHI-GOSISDBHSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000151144720 495752765 /nfs/dbraw/zinc/75/27/65/495752765.db2.gz ITRSOTXQOUABHI-GOSISDBHSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000183226400 495888382 /nfs/dbraw/zinc/88/83/82/495888382.db2.gz QXMIZEFIXKBWBG-IBGZPJMESA-N 2 1 354.542 3.377 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000177488894 496083218 /nfs/dbraw/zinc/08/32/18/496083218.db2.gz RUYCGUNHOXUFDV-KDURUIRLSA-N 2 1 371.525 3.148 20 30 FGEDMP C[N@H+]1CCC[C@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181991 496968863 /nfs/dbraw/zinc/96/88/63/496968863.db2.gz WOCYWQAONHIQKI-QFBILLFUSA-N 2 1 374.916 3.003 20 30 FGEDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352000 498520779 /nfs/dbraw/zinc/52/07/79/498520779.db2.gz GCYAYOAXOLIICQ-MOPGFXCFSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352000 498520783 /nfs/dbraw/zinc/52/07/83/498520783.db2.gz GCYAYOAXOLIICQ-MOPGFXCFSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352000 498520790 /nfs/dbraw/zinc/52/07/90/498520790.db2.gz GCYAYOAXOLIICQ-MOPGFXCFSA-N 2 1 357.498 3.294 20 30 FGEDMP N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312856535 498762988 /nfs/dbraw/zinc/76/29/88/498762988.db2.gz GYFASLGFVKNTNM-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312856535 498762992 /nfs/dbraw/zinc/76/29/92/498762992.db2.gz GYFASLGFVKNTNM-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312856535 498762996 /nfs/dbraw/zinc/76/29/96/498762996.db2.gz GYFASLGFVKNTNM-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312856535 498762999 /nfs/dbraw/zinc/76/29/99/498762999.db2.gz GYFASLGFVKNTNM-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP CC1(C)C[N@H+](C2(CNC(=O)c3ccc4c[nH+]cn4c3)CCCCC2)CCO1 ZINC000328800492 498943168 /nfs/dbraw/zinc/94/31/68/498943168.db2.gz IIJLLGOTOMLQCM-UHFFFAOYSA-N 2 1 370.497 3.453 20 30 FGEDMP CN(CC(=O)NC1CCCCC1)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329074264 499033262 /nfs/dbraw/zinc/03/32/62/499033262.db2.gz BIDPYZFXDRFCBD-OXJNMPFZSA-N 2 1 361.534 3.024 20 30 FGEDMP N#CC1(c2ccccc2)CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000333770649 499074948 /nfs/dbraw/zinc/07/49/48/499074948.db2.gz BXWHMHHOBKUMMD-UHFFFAOYSA-N 2 1 366.553 3.197 20 30 FGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)cc1 ZINC000367422707 499197194 /nfs/dbraw/zinc/19/71/94/499197194.db2.gz MHIWWVHFJMMYMW-QGZVFWFLSA-N 2 1 350.466 3.473 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000375461993 499521735 /nfs/dbraw/zinc/52/17/35/499521735.db2.gz KKADGSPKPMEVTE-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000377268318 499675495 /nfs/dbraw/zinc/67/54/95/499675495.db2.gz SSWRTVALMDWQDL-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000414531521 499803943 /nfs/dbraw/zinc/80/39/43/499803943.db2.gz UBXGVHOUMMRFEI-YLJYHZDGSA-N 2 1 355.507 3.246 20 30 FGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000414531521 499803944 /nfs/dbraw/zinc/80/39/44/499803944.db2.gz UBXGVHOUMMRFEI-YLJYHZDGSA-N 2 1 355.507 3.246 20 30 FGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449082581 500920007 /nfs/dbraw/zinc/92/00/07/500920007.db2.gz OHIRAWTXCIOEHX-UHFFFAOYSA-N 2 1 354.542 3.386 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1)C(C)C ZINC000483676623 502459487 /nfs/dbraw/zinc/45/94/87/502459487.db2.gz BZEJHOHIEBXZJN-HSALFYBXSA-N 2 1 364.578 3.199 20 30 FGEDMP C=C[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000489406082 502949539 /nfs/dbraw/zinc/94/95/39/502949539.db2.gz REMAJDLNYQOIBQ-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000489406082 502949544 /nfs/dbraw/zinc/94/95/44/502949544.db2.gz REMAJDLNYQOIBQ-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000489406082 502949550 /nfs/dbraw/zinc/94/95/50/502949550.db2.gz REMAJDLNYQOIBQ-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000489406082 502949555 /nfs/dbraw/zinc/94/95/55/502949555.db2.gz REMAJDLNYQOIBQ-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#CC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469102 503561762 /nfs/dbraw/zinc/56/17/62/503561762.db2.gz OANMBDTYZPNDLQ-COPRSSIGSA-N 2 1 364.574 3.021 20 30 FGEDMP C[C@@H](O)C[C@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469102 503561764 /nfs/dbraw/zinc/56/17/64/503561764.db2.gz OANMBDTYZPNDLQ-COPRSSIGSA-N 2 1 364.574 3.021 20 30 FGEDMP C[C@@H](O)C[C@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469102 503561767 /nfs/dbraw/zinc/56/17/67/503561767.db2.gz OANMBDTYZPNDLQ-COPRSSIGSA-N 2 1 364.574 3.021 20 30 FGEDMP C=CCOc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512667187 503608342 /nfs/dbraw/zinc/60/83/42/503608342.db2.gz BEEIQJCGSXNVCU-BGYRXZFFSA-N 2 1 357.542 3.242 20 30 FGEDMP C=CCOc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512667187 503608345 /nfs/dbraw/zinc/60/83/45/503608345.db2.gz BEEIQJCGSXNVCU-BGYRXZFFSA-N 2 1 357.542 3.242 20 30 FGEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546017218 504675882 /nfs/dbraw/zinc/67/58/82/504675882.db2.gz NSFMUNJOTUCNPG-UHFFFAOYSA-N 2 1 370.541 3.103 20 30 FGEDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000599662047 506564232 /nfs/dbraw/zinc/56/42/32/506564232.db2.gz XBFCSSHMXWGDBJ-UHFFFAOYSA-N 2 1 365.477 3.429 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cccc(C(=O)OC)c1C#N ZINC000599662047 506564234 /nfs/dbraw/zinc/56/42/34/506564234.db2.gz XBFCSSHMXWGDBJ-UHFFFAOYSA-N 2 1 365.477 3.429 20 30 FGEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596994809 506721109 /nfs/dbraw/zinc/72/11/09/506721109.db2.gz DTOPDRPRKBYJDW-WOJBJXKFSA-N 2 1 366.553 3.232 20 30 FGEDMP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594505331 507158804 /nfs/dbraw/zinc/15/88/04/507158804.db2.gz RHIOFKRPLWAODP-HXUWFJFHSA-N 2 1 359.539 3.024 20 30 FGEDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073197 507380202 /nfs/dbraw/zinc/38/02/02/507380202.db2.gz SYGVWVVBMGFWIZ-KXBFYZLASA-N 2 1 353.441 3.115 20 30 FGEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509252 507538011 /nfs/dbraw/zinc/53/80/11/507538011.db2.gz FDOCCXKIHUZVLE-UHFFFAOYSA-N 2 1 362.477 3.141 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000598725265 507569789 /nfs/dbraw/zinc/56/97/89/507569789.db2.gz WRJMXZBKKFBLCZ-XSDIEEQYSA-N 2 1 355.526 3.177 20 30 FGEDMP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000118161336 700607577 /nfs/dbraw/zinc/60/75/77/700607577.db2.gz IOIKAZUGEXJCOY-HOCLYGCPSA-N 2 1 354.420 3.179 20 30 FGEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160754869 705260656 /nfs/dbraw/zinc/26/06/56/705260656.db2.gz OYNZNXJOUYNFTA-ZDUSSCGKSA-N 2 1 358.408 3.290 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554327 732038300 /nfs/dbraw/zinc/03/83/00/732038300.db2.gz QZWBHDXEVNROBU-QGZVFWFLSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554327 732038306 /nfs/dbraw/zinc/03/83/06/732038306.db2.gz QZWBHDXEVNROBU-QGZVFWFLSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)ccn1 ZINC000856554327 732038310 /nfs/dbraw/zinc/03/83/10/732038310.db2.gz QZWBHDXEVNROBU-QGZVFWFLSA-N 2 1 356.495 3.120 20 30 FGEDMP CSc1nnc(SC)n1[NH+]=CC1CC[NH+](Cc2ccccc2)CC1 ZINC000872418665 735627078 /nfs/dbraw/zinc/62/70/78/735627078.db2.gz YXGYJFSWFWAZFO-UHFFFAOYSA-N 2 1 361.540 3.468 20 30 FGEDMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)s1 ZINC000376166409 257449411 /nfs/dbraw/zinc/44/94/11/257449411.db2.gz LVGZQDGCWDMCSK-INIZCTEOSA-N 3 1 360.571 3.467 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000576816414 505601723 /nfs/dbraw/zinc/60/17/23/505601723.db2.gz VEUJUIVKEUHJRH-FQEVSTJZSA-N 2 1 354.494 3.210 20 30 FGEDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075713393 493771529 /nfs/dbraw/zinc/77/15/29/493771529.db2.gz VXBRCELKBLFZEU-UHFFFAOYSA-N 2 1 353.470 3.160 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075713393 493771535 /nfs/dbraw/zinc/77/15/35/493771535.db2.gz VXBRCELKBLFZEU-UHFFFAOYSA-N 2 1 353.470 3.160 20 30 FGEDMP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(CC[NH+](C)C)CC2)c1C#N ZINC000091067244 494523198 /nfs/dbraw/zinc/52/31/98/494523198.db2.gz HBGLRAFQPRYWRQ-UHFFFAOYSA-N 2 1 351.498 3.216 20 30 FGEDMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915328 495745861 /nfs/dbraw/zinc/74/58/61/495745861.db2.gz QELPBEDLQIQDJL-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915328 495745864 /nfs/dbraw/zinc/74/58/64/495745864.db2.gz QELPBEDLQIQDJL-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915328 495745868 /nfs/dbraw/zinc/74/58/68/495745868.db2.gz QELPBEDLQIQDJL-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915328 495745871 /nfs/dbraw/zinc/74/58/71/495745871.db2.gz QELPBEDLQIQDJL-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCCC1 ZINC000181539328 496437295 /nfs/dbraw/zinc/43/72/95/496437295.db2.gz ORGDPIWDZURSHH-IBGZPJMESA-N 2 1 354.542 3.234 20 30 FGEDMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1OCCCC#N ZINC000194938274 496767436 /nfs/dbraw/zinc/76/74/36/496767436.db2.gz LTWZRNILVXSRII-UHFFFAOYSA-N 2 1 357.498 3.342 20 30 FGEDMP N#Cc1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062977 505912911 /nfs/dbraw/zinc/91/29/11/505912911.db2.gz FYJFJFOENDJQER-KRWDZBQOSA-N 2 1 365.437 3.379 20 30 FGEDMP N#Cc1ccc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062977 505912914 /nfs/dbraw/zinc/91/29/14/505912914.db2.gz FYJFJFOENDJQER-KRWDZBQOSA-N 2 1 365.437 3.379 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000362235415 498479285 /nfs/dbraw/zinc/47/92/85/498479285.db2.gz KNFUOZARZANKCU-OAQYLSRUSA-N 2 1 352.526 3.129 20 30 FGEDMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000290402314 498538236 /nfs/dbraw/zinc/53/82/36/498538236.db2.gz JNJVUEKWQACLFY-HXUWFJFHSA-N 2 1 363.509 3.122 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000370557673 499231501 /nfs/dbraw/zinc/23/15/01/499231501.db2.gz OWKOUSQTSIFYQM-YSZBQJHXSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000370557673 499231503 /nfs/dbraw/zinc/23/15/03/499231503.db2.gz OWKOUSQTSIFYQM-YSZBQJHXSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000370557673 499231505 /nfs/dbraw/zinc/23/15/05/499231505.db2.gz OWKOUSQTSIFYQM-YSZBQJHXSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000370557673 499231506 /nfs/dbraw/zinc/23/15/06/499231506.db2.gz OWKOUSQTSIFYQM-YSZBQJHXSA-N 2 1 363.505 3.434 20 30 FGEDMP N#CCSCCC[N@H+]1CCC2(C1)CC[NH+](CCCSCC#N)CC2 ZINC000368760722 499329135 /nfs/dbraw/zinc/32/91/35/499329135.db2.gz HBILSYOOBSUXCX-UHFFFAOYSA-N 2 1 366.600 3.068 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340928 499393255 /nfs/dbraw/zinc/39/32/55/499393255.db2.gz BFJCEVKJQXHHEI-STZQEDGTSA-N 2 1 371.525 3.348 20 30 FGEDMP C#CCCOc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000372413340 499432004 /nfs/dbraw/zinc/43/20/04/499432004.db2.gz KJVXRVMTWNCWHD-UHFFFAOYSA-N 2 1 356.510 3.164 20 30 FGEDMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C#N)c1 ZINC000376163171 499587844 /nfs/dbraw/zinc/58/78/44/499587844.db2.gz ASJAEXZOWYYKGY-GOSISDBHSA-N 3 1 354.542 3.405 20 30 FGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000442682928 500610705 /nfs/dbraw/zinc/61/07/05/500610705.db2.gz PNNJOICYGDLVCB-FQEVSTJZSA-N 2 1 362.521 3.369 20 30 FGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000442682928 500610709 /nfs/dbraw/zinc/61/07/09/500610709.db2.gz PNNJOICYGDLVCB-FQEVSTJZSA-N 2 1 362.521 3.369 20 30 FGEDMP COCC[N@@H+](C)CCCC1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459378306 501642124 /nfs/dbraw/zinc/64/21/24/501642124.db2.gz VXLUFARUZRCELE-UHFFFAOYSA-N 2 1 374.485 3.037 20 30 FGEDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459378306 501642127 /nfs/dbraw/zinc/64/21/27/501642127.db2.gz VXLUFARUZRCELE-UHFFFAOYSA-N 2 1 374.485 3.037 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459378306 501642130 /nfs/dbraw/zinc/64/21/30/501642130.db2.gz VXLUFARUZRCELE-UHFFFAOYSA-N 2 1 374.485 3.037 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1)C(C)C ZINC000483676624 502460013 /nfs/dbraw/zinc/46/00/13/502460013.db2.gz BZEJHOHIEBXZJN-SLFFLAALSA-N 2 1 364.578 3.199 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000501766422 503074979 /nfs/dbraw/zinc/07/49/79/503074979.db2.gz PLBHCQASRDVCCE-UHFFFAOYSA-N 2 1 368.525 3.381 20 30 FGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490544008 503193155 /nfs/dbraw/zinc/19/31/55/503193155.db2.gz LOTVMRKRRXQJKM-OXJNMPFZSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490544008 503193156 /nfs/dbraw/zinc/19/31/56/503193156.db2.gz LOTVMRKRRXQJKM-OXJNMPFZSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490544008 503193157 /nfs/dbraw/zinc/19/31/57/503193157.db2.gz LOTVMRKRRXQJKM-OXJNMPFZSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490544008 503193158 /nfs/dbraw/zinc/19/31/58/503193158.db2.gz LOTVMRKRRXQJKM-OXJNMPFZSA-N 2 1 351.498 3.263 20 30 FGEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)C1 ZINC000515074317 503266020 /nfs/dbraw/zinc/26/60/20/503266020.db2.gz GMPRTSZSVFZHBW-QGZVFWFLSA-N 2 1 374.492 3.123 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000536703509 503688868 /nfs/dbraw/zinc/68/88/68/503688868.db2.gz QEWIDSMMTWUXAG-LJQANCHMSA-N 2 1 370.541 3.209 20 30 FGEDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000539497934 504590451 /nfs/dbraw/zinc/59/04/51/504590451.db2.gz AAYSVGFMNOTMOB-VQIMIIECSA-N 2 1 354.523 3.259 20 30 FGEDMP N#Cc1ccc(C[N@H+]2CCCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072349 505152855 /nfs/dbraw/zinc/15/28/55/505152855.db2.gz UXVNTDFFZNVYTB-DEOSSOPVSA-N 2 1 374.532 3.340 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072349 505152857 /nfs/dbraw/zinc/15/28/57/505152857.db2.gz UXVNTDFFZNVYTB-DEOSSOPVSA-N 2 1 374.532 3.340 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072349 505152859 /nfs/dbraw/zinc/15/28/59/505152859.db2.gz UXVNTDFFZNVYTB-DEOSSOPVSA-N 2 1 374.532 3.340 20 30 FGEDMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000603112116 506423360 /nfs/dbraw/zinc/42/33/60/506423360.db2.gz SUFSERXPGUTVSE-UHFFFAOYSA-N 2 1 356.514 3.131 20 30 FGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000603112116 506423363 /nfs/dbraw/zinc/42/33/63/506423363.db2.gz SUFSERXPGUTVSE-UHFFFAOYSA-N 2 1 356.514 3.131 20 30 FGEDMP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000594440882 507134818 /nfs/dbraw/zinc/13/48/18/507134818.db2.gz IXBBTELOOZLJHM-DFQSSKMNSA-N 2 1 356.514 3.082 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)cc1F ZINC000595073193 507379053 /nfs/dbraw/zinc/37/90/53/507379053.db2.gz SYGVWVVBMGFWIZ-DNVCBOLYSA-N 2 1 353.441 3.115 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289671 507449310 /nfs/dbraw/zinc/44/93/10/507449310.db2.gz PUQIDRDQKGZEKZ-BGYRXZFFSA-N 2 1 354.542 3.044 20 30 FGEDMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289671 507449319 /nfs/dbraw/zinc/44/93/19/507449319.db2.gz PUQIDRDQKGZEKZ-BGYRXZFFSA-N 2 1 354.542 3.044 20 30 FGEDMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289671 507449328 /nfs/dbraw/zinc/44/93/28/507449328.db2.gz PUQIDRDQKGZEKZ-BGYRXZFFSA-N 2 1 354.542 3.044 20 30 FGEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303988909 713791021 /nfs/dbraw/zinc/79/10/21/713791021.db2.gz WYJXEYSWHRKFOI-OCCSQVGLSA-N 2 1 373.328 3.070 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305685414 713793261 /nfs/dbraw/zinc/79/32/61/713793261.db2.gz OLBBGHRXMVNFSC-PBHICJAKSA-N 2 1 352.885 3.273 20 30 FGEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000305813314 713793781 /nfs/dbraw/zinc/79/37/81/713793781.db2.gz KQSKQQJCGJSKIW-INIZCTEOSA-N 2 1 356.436 3.497 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000848528738 731175605 /nfs/dbraw/zinc/17/56/05/731175605.db2.gz OMGWETHEJPJUCV-MSOLQXFVSA-N 2 1 351.535 3.452 20 30 FGEDMP C=C(Cl)C[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004442370 765432749 /nfs/dbraw/zinc/43/27/49/765432749.db2.gz LTBFBTXCZWLRBV-OTWHNJEPSA-N 2 1 367.965 3.172 20 30 FGEDMP C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004442370 765432751 /nfs/dbraw/zinc/43/27/51/765432751.db2.gz LTBFBTXCZWLRBV-OTWHNJEPSA-N 2 1 367.965 3.172 20 30 FGEDMP C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004442370 765432755 /nfs/dbraw/zinc/43/27/55/765432755.db2.gz LTBFBTXCZWLRBV-OTWHNJEPSA-N 2 1 367.965 3.172 20 30 FGEDMP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000568050886 505604119 /nfs/dbraw/zinc/60/41/19/505604119.db2.gz LHBZMFQEGAGDKU-QGZVFWFLSA-N 2 1 374.492 3.057 20 30 FGEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCC[NH+](C)C1 ZINC000118842644 495047020 /nfs/dbraw/zinc/04/70/20/495047020.db2.gz VTTXQWBILJRDLZ-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCC[N@H+](C)C1 ZINC000118842644 495047024 /nfs/dbraw/zinc/04/70/24/495047024.db2.gz VTTXQWBILJRDLZ-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842644 495047029 /nfs/dbraw/zinc/04/70/29/495047029.db2.gz VTTXQWBILJRDLZ-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000123159680 495089359 /nfs/dbraw/zinc/08/93/59/495089359.db2.gz TYHNOEOEUUQWAQ-UHFFFAOYSA-N 2 1 374.554 3.295 20 30 FGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000120220263 495330658 /nfs/dbraw/zinc/33/06/58/495330658.db2.gz CVHCKPBRVSDDAW-FQEVSTJZSA-N 2 1 368.525 3.331 20 30 FGEDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000120239319 495334303 /nfs/dbraw/zinc/33/43/03/495334303.db2.gz ZSBRZOVUXVUEBG-KRWDZBQOSA-N 2 1 356.514 3.329 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000120239319 495334310 /nfs/dbraw/zinc/33/43/10/495334310.db2.gz ZSBRZOVUXVUEBG-KRWDZBQOSA-N 2 1 356.514 3.329 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662610 495668273 /nfs/dbraw/zinc/66/82/73/495668273.db2.gz HGBLXMSGIUVXKE-SOLBZPMBSA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662610 495668281 /nfs/dbraw/zinc/66/82/81/495668281.db2.gz HGBLXMSGIUVXKE-SOLBZPMBSA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766618 495718957 /nfs/dbraw/zinc/71/89/57/495718957.db2.gz JHXXREMSGWJFMC-WMZOPIPTSA-N 2 1 354.498 3.129 20 30 FGEDMP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1C#N ZINC000174305028 495901711 /nfs/dbraw/zinc/90/17/11/495901711.db2.gz VRRWNGQESHCJGF-UHFFFAOYSA-N 2 1 350.397 3.490 20 30 FGEDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215341 495909886 /nfs/dbraw/zinc/90/98/86/495909886.db2.gz WHBFUGABJSLPGI-SFHVURJKSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215341 495909891 /nfs/dbraw/zinc/90/98/91/495909891.db2.gz WHBFUGABJSLPGI-SFHVURJKSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215341 495909896 /nfs/dbraw/zinc/90/98/96/495909896.db2.gz WHBFUGABJSLPGI-SFHVURJKSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215341 495909904 /nfs/dbraw/zinc/90/99/04/495909904.db2.gz WHBFUGABJSLPGI-SFHVURJKSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215341 495909908 /nfs/dbraw/zinc/90/99/08/495909908.db2.gz WHBFUGABJSLPGI-SFHVURJKSA-N 2 1 351.498 3.122 20 30 FGEDMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180280276 495935012 /nfs/dbraw/zinc/93/50/12/495935012.db2.gz QINAMPMVBPXEBM-UHFFFAOYSA-N 2 1 363.509 3.455 20 30 FGEDMP C[C@H]1C[C@H](C)C[NH+](CCCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513585 496427331 /nfs/dbraw/zinc/42/73/31/496427331.db2.gz KTDGCRGWCJUGJU-PMACEKPBSA-N 2 1 368.569 3.480 20 30 FGEDMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000574772736 505852591 /nfs/dbraw/zinc/85/25/91/505852591.db2.gz CWSLCLOIIGPQIV-KRWDZBQOSA-N 2 1 374.492 3.123 20 30 FGEDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000574772736 505852593 /nfs/dbraw/zinc/85/25/93/505852593.db2.gz CWSLCLOIIGPQIV-KRWDZBQOSA-N 2 1 374.492 3.123 20 30 FGEDMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000191476369 496775829 /nfs/dbraw/zinc/77/58/29/496775829.db2.gz XODJTPNCAAHOLV-MRXNPFEDSA-N 2 1 353.470 3.056 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000191476369 496775837 /nfs/dbraw/zinc/77/58/37/496775837.db2.gz XODJTPNCAAHOLV-MRXNPFEDSA-N 2 1 353.470 3.056 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1OC ZINC000268953804 496832861 /nfs/dbraw/zinc/83/28/61/496832861.db2.gz FQNHHWKALZVCIE-VQTJNVASSA-N 2 1 374.525 3.118 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CCn2cncn2)c2ccc(C)cc2)CC1 ZINC000273673708 496871946 /nfs/dbraw/zinc/87/19/46/496871946.db2.gz GFYDMNKZPGBXJI-OAQYLSRUSA-N 2 1 353.514 3.348 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291568 496877217 /nfs/dbraw/zinc/87/72/17/496877217.db2.gz LLOHKKNLCCLIBZ-GOSISDBHSA-N 2 1 352.482 3.082 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000274834504 497177566 /nfs/dbraw/zinc/17/75/66/497177566.db2.gz NDMXTRHURPNOSK-QAPCUYQASA-N 2 1 368.506 3.058 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000272752635 497720388 /nfs/dbraw/zinc/72/03/88/497720388.db2.gz NYWYSYYIBTZIHD-YWZLYKJASA-N 2 1 353.441 3.115 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000569716018 506000024 /nfs/dbraw/zinc/00/00/24/506000024.db2.gz ZDOBXBOMVOOHBT-UZLBHIALSA-N 2 1 366.933 3.409 20 30 FGEDMP COC(=O)[C@@H](c1cccc(C#N)c1)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235629 499200469 /nfs/dbraw/zinc/20/04/69/499200469.db2.gz HITUQZCMBIJMST-RBUKOAKNSA-N 2 1 366.465 3.429 20 30 FGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000442899866 500644118 /nfs/dbraw/zinc/64/41/18/500644118.db2.gz LVIRLHKSPJNPLG-GUDVDZBRSA-N 2 1 371.525 3.209 20 30 FGEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975120 501878250 /nfs/dbraw/zinc/87/82/50/501878250.db2.gz MCOGYGUSABBLBY-MRXNPFEDSA-N 2 1 374.916 3.204 20 30 FGEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975120 501878257 /nfs/dbraw/zinc/87/82/57/501878257.db2.gz MCOGYGUSABBLBY-MRXNPFEDSA-N 2 1 374.916 3.204 20 30 FGEDMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975120 501878264 /nfs/dbraw/zinc/87/82/64/501878264.db2.gz MCOGYGUSABBLBY-MRXNPFEDSA-N 2 1 374.916 3.204 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000596148049 506280501 /nfs/dbraw/zinc/28/05/01/506280501.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000596148049 506280508 /nfs/dbraw/zinc/28/05/08/506280508.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000596148049 506280512 /nfs/dbraw/zinc/28/05/12/506280512.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000596148049 506280518 /nfs/dbraw/zinc/28/05/18/506280518.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000596148049 506280523 /nfs/dbraw/zinc/28/05/23/506280523.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000596148049 506280528 /nfs/dbraw/zinc/28/05/28/506280528.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000596148049 506280530 /nfs/dbraw/zinc/28/05/30/506280530.db2.gz YRAJCWNPSCLAAS-BRSBDYLESA-N 3 1 370.545 3.051 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000482151615 501990932 /nfs/dbraw/zinc/99/09/32/501990932.db2.gz OQDQBWVYJRUAMO-CEXWTWQISA-N 2 1 362.562 3.208 20 30 FGEDMP C=CCOc1ccc(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000505751730 502978295 /nfs/dbraw/zinc/97/82/95/502978295.db2.gz WGVIHUGKVNYLDS-UHFFFAOYSA-N 2 1 358.405 3.387 20 30 FGEDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000540976284 503961570 /nfs/dbraw/zinc/96/15/70/503961570.db2.gz LQKZMLZFKRETQX-KXBFYZLASA-N 2 1 372.513 3.398 20 30 FGEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000559290144 504822027 /nfs/dbraw/zinc/82/20/27/504822027.db2.gz KBJJVCYHRQMPLF-MRXNPFEDSA-N 2 1 367.472 3.085 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000554960530 505312530 /nfs/dbraw/zinc/31/25/30/505312530.db2.gz OFIXRECKBIEVSE-ILWGZMRPSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000554960530 505312535 /nfs/dbraw/zinc/31/25/35/505312535.db2.gz OFIXRECKBIEVSE-ILWGZMRPSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000554960530 505312539 /nfs/dbraw/zinc/31/25/39/505312539.db2.gz OFIXRECKBIEVSE-ILWGZMRPSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000554960530 505312544 /nfs/dbraw/zinc/31/25/44/505312544.db2.gz OFIXRECKBIEVSE-ILWGZMRPSA-N 2 1 367.537 3.029 20 30 FGEDMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C4(C#N)CC4)cc3)cc2)CC1 ZINC000594925500 507318132 /nfs/dbraw/zinc/31/81/32/507318132.db2.gz NEDSVHGOGBBLCG-UHFFFAOYSA-N 2 1 374.532 3.279 20 30 FGEDMP N#CC1(c2ccc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cc2)CC1 ZINC000594974234 507338131 /nfs/dbraw/zinc/33/81/31/507338131.db2.gz IYIQTALOISPFGT-JOCHJYFZSA-N 2 1 361.489 3.098 20 30 FGEDMP Cc1cc(C#N)ccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000614402673 507498032 /nfs/dbraw/zinc/49/80/32/507498032.db2.gz PMSXNNDAXSYTIL-UHFFFAOYSA-N 3 1 368.569 3.495 20 30 FGEDMP Cc1cc(C#N)ccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000614402673 507498044 /nfs/dbraw/zinc/49/80/44/507498044.db2.gz PMSXNNDAXSYTIL-UHFFFAOYSA-N 3 1 368.569 3.495 20 30 FGEDMP Cc1cc(C#N)ccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000614402673 507498051 /nfs/dbraw/zinc/49/80/51/507498051.db2.gz PMSXNNDAXSYTIL-UHFFFAOYSA-N 3 1 368.569 3.495 20 30 FGEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CCSC2(CCCCC2)C1 ZINC000261794376 713714576 /nfs/dbraw/zinc/71/45/76/713714576.db2.gz GJYWLFSEAIZFME-QGZVFWFLSA-N 2 1 352.592 3.045 20 30 FGEDMP C[C@H](NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017395 713717344 /nfs/dbraw/zinc/71/73/44/713717344.db2.gz WQWMQRQCGSLVKH-RYUDHWBXSA-N 2 1 355.313 3.443 20 30 FGEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1cccs1 ZINC000304780609 713791789 /nfs/dbraw/zinc/79/17/89/713791789.db2.gz FZKCBSAJBZTJQN-HKUYNNGSSA-N 2 1 356.539 3.278 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820809800 729033223 /nfs/dbraw/zinc/03/32/23/729033223.db2.gz ILUMABYUIFNUHY-WMZOPIPTSA-N 2 1 351.535 3.405 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000822455461 729176833 /nfs/dbraw/zinc/17/68/33/729176833.db2.gz FVOXQDVINSEFDN-SJLPKXTDSA-N 2 1 351.535 3.405 20 30 FGEDMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574183239 505714843 /nfs/dbraw/zinc/71/48/43/505714843.db2.gz WAOAHIKLULXJFP-QRVBRYPASA-N 2 1 354.542 3.483 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C#N)ccc2OC)CC1 ZINC000122131814 494929064 /nfs/dbraw/zinc/92/90/64/494929064.db2.gz TZJCTVODVMPHDG-UHFFFAOYSA-N 2 1 359.514 3.137 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000104180744 495271102 /nfs/dbraw/zinc/27/11/02/495271102.db2.gz WGMMZBMSERDIFA-HNNXBMFYSA-N 2 1 358.511 3.396 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccc(C#N)c1 ZINC000185752653 495711118 /nfs/dbraw/zinc/71/11/18/495711118.db2.gz QIAPNFYFYDKOOX-XYJFISCASA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccc(C#N)c1 ZINC000185752653 495711125 /nfs/dbraw/zinc/71/11/25/495711125.db2.gz QIAPNFYFYDKOOX-XYJFISCASA-N 2 1 354.498 3.128 20 30 FGEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000174460057 495968347 /nfs/dbraw/zinc/96/83/47/495968347.db2.gz PFCKZPHXXJZSNP-OXJNMPFZSA-N 2 1 365.506 3.440 20 30 FGEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000174460057 495968350 /nfs/dbraw/zinc/96/83/50/495968350.db2.gz PFCKZPHXXJZSNP-OXJNMPFZSA-N 2 1 365.506 3.440 20 30 FGEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)C[C@H](C)O1 ZINC000177500800 496087901 /nfs/dbraw/zinc/08/79/01/496087901.db2.gz KHZAASFGBDIAMN-IRXDYDNUSA-N 2 1 359.489 3.409 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000153047780 496335834 /nfs/dbraw/zinc/33/58/34/496335834.db2.gz UGQIILYECYIBOY-KRWDZBQOSA-N 2 1 361.505 3.353 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175473994 496406810 /nfs/dbraw/zinc/40/68/10/496406810.db2.gz NUJPXDINCKDGMV-IBGZPJMESA-N 2 1 372.557 3.237 20 30 FGEDMP C[C@H](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)[NH+]1CCCCC1 ZINC000278782987 497218763 /nfs/dbraw/zinc/21/87/63/497218763.db2.gz ZKSLTWWZOSEPEQ-GOSISDBHSA-N 2 1 366.513 3.213 20 30 FGEDMP N#CC1(c2ccccc2)CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000271080243 497259936 /nfs/dbraw/zinc/25/99/36/497259936.db2.gz QNTPAWRVAPYDFP-ATKRNPRHSA-N 2 1 355.526 3.217 20 30 FGEDMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000245874483 497557136 /nfs/dbraw/zinc/55/71/36/497557136.db2.gz JVJVHDQOHDHRQR-OALUTQOASA-N 2 1 354.542 3.233 20 30 FGEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000267475271 497561476 /nfs/dbraw/zinc/56/14/76/497561476.db2.gz ZCFUMDARMUZJKI-UHFFFAOYSA-N 2 1 355.364 3.297 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329680769 497867565 /nfs/dbraw/zinc/86/75/65/497867565.db2.gz RNEWUDMVGMWLLW-QRTARXTBSA-N 2 1 361.534 3.256 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329680769 497867573 /nfs/dbraw/zinc/86/75/73/497867573.db2.gz RNEWUDMVGMWLLW-QRTARXTBSA-N 2 1 361.534 3.256 20 30 FGEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996293 498227548 /nfs/dbraw/zinc/22/75/48/498227548.db2.gz OLDDESHXHJLEJN-UGKGYDQZSA-N 2 1 368.525 3.048 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000569716017 506000520 /nfs/dbraw/zinc/00/05/20/506000520.db2.gz ZDOBXBOMVOOHBT-OXQOHEQNSA-N 2 1 366.933 3.409 20 30 FGEDMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OCCCC#N ZINC000290586852 498609222 /nfs/dbraw/zinc/60/92/22/498609222.db2.gz UZXBABFYSOEHCL-UHFFFAOYSA-N 2 1 356.470 3.405 20 30 FGEDMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OCCCC#N ZINC000290586852 498609229 /nfs/dbraw/zinc/60/92/29/498609229.db2.gz UZXBABFYSOEHCL-UHFFFAOYSA-N 2 1 356.470 3.405 20 30 FGEDMP COc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1 ZINC000303888801 498726029 /nfs/dbraw/zinc/72/60/29/498726029.db2.gz PECRFVQLUUVNSE-UHFFFAOYSA-N 2 1 353.401 3.255 20 30 FGEDMP COc1cccc(NC(=[NH2+])NCC2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000304747888 498734724 /nfs/dbraw/zinc/73/47/24/498734724.db2.gz GTRUOUWLTDTLJV-UHFFFAOYSA-N 2 1 373.526 3.099 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CCn4cncc4C3)c2)C[C@H](C)O1 ZINC000328933731 498990613 /nfs/dbraw/zinc/99/06/13/498990613.db2.gz DYQCVZBBBHNGGI-JZXOWHBKSA-N 2 1 368.481 3.343 20 30 FGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000576317114 506128708 /nfs/dbraw/zinc/12/87/08/506128708.db2.gz RCQGDTLWPZRMGZ-DEOSSOPVSA-N 2 1 374.532 3.473 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](CC4CCCCC4)CC3)n2c1 ZINC000369486219 499408073 /nfs/dbraw/zinc/40/80/73/499408073.db2.gz NXYSSJJALDCLOM-UHFFFAOYSA-N 2 1 351.498 3.340 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000411553079 499753910 /nfs/dbraw/zinc/75/39/10/499753910.db2.gz QOKMEAUKFRSLBL-KSZLIROESA-N 2 1 374.554 3.215 20 30 FGEDMP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458988009 501572084 /nfs/dbraw/zinc/57/20/84/501572084.db2.gz NNKNGZUCPXNOSQ-RTBURBONSA-N 2 1 364.578 3.177 20 30 FGEDMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916252 501917382 /nfs/dbraw/zinc/91/73/82/501917382.db2.gz NHYJBGWRVSTMFV-JOCHJYFZSA-N 2 1 354.542 3.333 20 30 FGEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C#N)ccc3C)CC2)CC1 ZINC000516581579 503541560 /nfs/dbraw/zinc/54/15/60/503541560.db2.gz HPPVKRNMCCVVIV-UHFFFAOYSA-N 2 1 354.498 3.002 20 30 FGEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603696984 506597102 /nfs/dbraw/zinc/59/71/02/506597102.db2.gz XGSQNKBIUYEXPK-IBGZPJMESA-N 2 1 374.573 3.306 20 30 FGEDMP N#Cc1ccc(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1 ZINC000595904698 507735392 /nfs/dbraw/zinc/73/53/92/507735392.db2.gz BCVBEZCGMWFGSY-UHFFFAOYSA-N 2 1 363.509 3.170 20 30 FGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535821 507740263 /nfs/dbraw/zinc/74/02/63/507740263.db2.gz UANSKKUXLAIBGU-FPOVZHCZSA-N 2 1 355.526 3.240 20 30 FGEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602547088 507744987 /nfs/dbraw/zinc/74/49/87/507744987.db2.gz ZCRWEDTYJZXRBV-INIZCTEOSA-N 2 1 367.472 3.085 20 30 FGEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1cccs1 ZINC000304807242 713792094 /nfs/dbraw/zinc/79/20/94/713792094.db2.gz SXAOBNQQPIXDAV-YOEHRIQHSA-N 2 1 362.568 3.340 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823789927 729305088 /nfs/dbraw/zinc/30/50/88/729305088.db2.gz SJPZDMVTDQKMHM-SJORKVTESA-N 2 1 351.535 3.262 20 30 FGEDMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000880474727 737178160 /nfs/dbraw/zinc/17/81/60/737178160.db2.gz LDDYVGZRVKFRNO-UHFFFAOYSA-N 2 1 360.889 3.100 20 30 FGEDMP Cc1[nH]c(C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)[nH+]c1C ZINC000886670297 739280392 /nfs/dbraw/zinc/28/03/92/739280392.db2.gz MMPFHCAWXNKRPG-UHFFFAOYSA-N 2 1 357.483 3.168 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000892880763 740053926 /nfs/dbraw/zinc/05/39/26/740053926.db2.gz IRXYPMFODARBKV-HXUWFJFHSA-N 2 1 351.535 3.264 20 30 FGEDMP C[NH+](CCOCC[N@H+](C)Cc1cc(C#N)cs1)Cc1cc(C#N)cs1 ZINC000933773925 761471010 /nfs/dbraw/zinc/47/10/10/761471010.db2.gz SXQUIOSEGWQPDO-UHFFFAOYSA-N 2 1 374.535 3.133 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000122058845 494917094 /nfs/dbraw/zinc/91/70/94/494917094.db2.gz VNAWQAIGJPVCOA-UHFFFAOYSA-N 2 1 359.514 3.137 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000118834165 495044722 /nfs/dbraw/zinc/04/47/22/495044722.db2.gz BEWSFDQZCHASBT-FQEVSTJZSA-N 2 1 368.525 3.475 20 30 FGEDMP C[NH+](C)CCC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000118868382 495051044 /nfs/dbraw/zinc/05/10/44/495051044.db2.gz YBSJTUWFQQRBJL-UHFFFAOYSA-N 2 1 366.509 3.401 20 30 FGEDMP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000113332219 495297832 /nfs/dbraw/zinc/29/78/32/495297832.db2.gz KENNIPFUDNLCLJ-UHFFFAOYSA-N 2 1 363.505 3.280 20 30 FGEDMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000191492965 496781852 /nfs/dbraw/zinc/78/18/52/496781852.db2.gz FSOYBDGOKUGVHM-UHFFFAOYSA-N 2 1 373.526 3.346 20 30 FGEDMP C[N@H+]1CCC[C@H]2CN(CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976940 497588527 /nfs/dbraw/zinc/58/85/27/497588527.db2.gz XESXODBTZDBJFK-FUHWJXTLSA-N 2 1 352.400 3.353 20 30 FGEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246102007 497622213 /nfs/dbraw/zinc/62/22/13/497622213.db2.gz WLZOPDGSOQQPHT-WIYYLYMNSA-N 2 1 362.562 3.017 20 30 FGEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246102007 497622215 /nfs/dbraw/zinc/62/22/15/497622215.db2.gz WLZOPDGSOQQPHT-WIYYLYMNSA-N 2 1 362.562 3.017 20 30 FGEDMP C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000330334785 498108638 /nfs/dbraw/zinc/10/86/38/498108638.db2.gz QZCULWQJQMOIDG-XFQXTVEOSA-N 2 1 368.481 3.044 20 30 FGEDMP C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000330334785 498108647 /nfs/dbraw/zinc/10/86/47/498108647.db2.gz QZCULWQJQMOIDG-XFQXTVEOSA-N 2 1 368.481 3.044 20 30 FGEDMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OCCCC#N ZINC000299447829 499061976 /nfs/dbraw/zinc/06/19/76/499061976.db2.gz NNUWTTMDBPGHCP-UHFFFAOYSA-N 2 1 357.498 3.484 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH+]2CCC(n3cnc(C#N)n3)CC2)cc1 ZINC000367321908 499181302 /nfs/dbraw/zinc/18/13/02/499181302.db2.gz LHBVFMYIMAWMRD-HNNXBMFYSA-N 2 1 361.453 3.042 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342841 499393634 /nfs/dbraw/zinc/39/36/34/499393634.db2.gz KSJDLWGQZUNEAS-STZQEDGTSA-N 2 1 370.541 3.015 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000482142682 501988238 /nfs/dbraw/zinc/98/82/38/501988238.db2.gz LRXOOVOPVUQNOK-QRFRQXIXSA-N 2 1 356.514 3.375 20 30 FGEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000489489533 502971500 /nfs/dbraw/zinc/97/15/00/502971500.db2.gz ZVJVKPJKLYJNQA-NRFANRHFSA-N 2 1 355.526 3.116 20 30 FGEDMP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000489489533 502971501 /nfs/dbraw/zinc/97/15/01/502971501.db2.gz ZVJVKPJKLYJNQA-NRFANRHFSA-N 2 1 355.526 3.116 20 30 FGEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000512426089 503546619 /nfs/dbraw/zinc/54/66/19/503546619.db2.gz DVHYFKDDMJGUJT-IRXDYDNUSA-N 2 1 359.489 3.409 20 30 FGEDMP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533295901 503794575 /nfs/dbraw/zinc/79/45/75/503794575.db2.gz NDKHOHANLKFGBS-IAGOWNOFSA-N 2 1 374.554 3.150 20 30 FGEDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000540701235 503860080 /nfs/dbraw/zinc/86/00/80/503860080.db2.gz CNBDOJQNBDRATH-DNVCBOLYSA-N 2 1 372.513 3.398 20 30 FGEDMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707381 503863272 /nfs/dbraw/zinc/86/32/72/503863272.db2.gz YCMWHLNYWCGFNS-VGOFRKELSA-N 2 1 366.484 3.337 20 30 FGEDMP C=CCN(Cc1ccccc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553084926 504823615 /nfs/dbraw/zinc/82/36/15/504823615.db2.gz FVHBCAZVESUZLB-UHFFFAOYSA-N 2 1 369.553 3.398 20 30 FGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891941 504945220 /nfs/dbraw/zinc/94/52/20/504945220.db2.gz GYBMBHHMYDUUDO-HKBOAZHASA-N 2 1 353.510 3.197 20 30 FGEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)C1 ZINC000609672917 506969617 /nfs/dbraw/zinc/96/96/17/506969617.db2.gz XVHJKNRYKZYLNB-HSZRJFAPSA-N 2 1 374.532 3.437 20 30 FGEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)C1 ZINC000609672917 506969625 /nfs/dbraw/zinc/96/96/25/506969625.db2.gz XVHJKNRYKZYLNB-HSZRJFAPSA-N 2 1 374.532 3.437 20 30 FGEDMP CCCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440444 507132671 /nfs/dbraw/zinc/13/26/71/507132671.db2.gz CKFDBQXIBXNWHT-LEWJYISDSA-N 2 1 370.541 3.301 20 30 FGEDMP C=CC[C@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662678100 720451880 /nfs/dbraw/zinc/45/18/80/720451880.db2.gz BHPLCZWOGRBOLQ-UYAOXDASSA-N 2 1 361.917 3.291 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000730019816 722464490 /nfs/dbraw/zinc/46/44/90/722464490.db2.gz QHPLLJCQHJAOHF-UHFFFAOYSA-N 2 1 351.535 3.264 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000848528742 731175657 /nfs/dbraw/zinc/17/56/57/731175657.db2.gz OMGWETHEJPJUCV-ROUUACIJSA-N 2 1 351.535 3.452 20 30 FGEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1[nH]c(C)[nH+]c1C ZINC000916410443 758080892 /nfs/dbraw/zinc/08/08/92/758080892.db2.gz VCDNYNWAYASOIW-UHFFFAOYSA-N 2 1 360.531 3.125 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000077313198 494055201 /nfs/dbraw/zinc/05/52/01/494055201.db2.gz DKCZCINNTQMQSI-UHFFFAOYSA-N 2 1 359.514 3.390 20 30 FGEDMP COc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C#N ZINC000135130888 495254088 /nfs/dbraw/zinc/25/40/88/495254088.db2.gz CFOFMDUETHYTPI-HDICACEKSA-N 2 1 371.525 3.278 20 30 FGEDMP C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125011162 495377729 /nfs/dbraw/zinc/37/77/29/495377729.db2.gz OMMSXXBLQUFOER-ROUUACIJSA-N 2 1 359.514 3.038 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185727925 495699684 /nfs/dbraw/zinc/69/96/84/495699684.db2.gz FNPWONKKGLIBNE-ZBFHGGJFSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727925 495699689 /nfs/dbraw/zinc/69/96/89/495699689.db2.gz FNPWONKKGLIBNE-ZBFHGGJFSA-N 2 1 374.916 3.393 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183686220 496079298 /nfs/dbraw/zinc/07/92/98/496079298.db2.gz FFZNQQYZOFWCAC-SJORKVTESA-N 2 1 352.482 3.420 20 30 FGEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000264195585 496834456 /nfs/dbraw/zinc/83/44/56/496834456.db2.gz HBBGCVJTEIBKLF-UHFFFAOYSA-N 2 1 374.554 3.242 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246786555 497810674 /nfs/dbraw/zinc/81/06/74/497810674.db2.gz MBXRCFWYIAAZMQ-KSEOMHKRSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786555 497810675 /nfs/dbraw/zinc/81/06/75/497810675.db2.gz MBXRCFWYIAAZMQ-KSEOMHKRSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786555 497810677 /nfs/dbraw/zinc/81/06/77/497810677.db2.gz MBXRCFWYIAAZMQ-KSEOMHKRSA-N 2 1 370.537 3.104 20 30 FGEDMP N#Cc1ccccc1OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312856530 498764728 /nfs/dbraw/zinc/76/47/28/498764728.db2.gz GYFASLGFVKNTNM-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312856530 498764734 /nfs/dbraw/zinc/76/47/34/498764734.db2.gz GYFASLGFVKNTNM-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312856530 498764742 /nfs/dbraw/zinc/76/47/42/498764742.db2.gz GYFASLGFVKNTNM-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312856530 498764746 /nfs/dbraw/zinc/76/47/46/498764746.db2.gz GYFASLGFVKNTNM-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000372743953 499169395 /nfs/dbraw/zinc/16/93/95/499169395.db2.gz FKPFYRXXPHYMER-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000372743953 499169398 /nfs/dbraw/zinc/16/93/98/499169398.db2.gz FKPFYRXXPHYMER-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000378167297 499761835 /nfs/dbraw/zinc/76/18/35/499761835.db2.gz HCALRYLJWUIIHH-FQEVSTJZSA-N 2 1 354.542 3.088 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)[NH3+])cc1OCC ZINC000414807343 499833216 /nfs/dbraw/zinc/83/32/16/499833216.db2.gz RBRXVIUGQJGFNA-UHFFFAOYSA-N 2 1 357.292 3.240 20 30 FGEDMP N#CC1(C[C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000528513788 504255395 /nfs/dbraw/zinc/25/53/95/504255395.db2.gz VUIQBKNOKLDTIV-FQEVSTJZSA-N 2 1 353.510 3.029 20 30 FGEDMP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCCn1cc[nH+]c1C ZINC000535691435 504509364 /nfs/dbraw/zinc/50/93/64/504509364.db2.gz DQLUBGHHCLMJLL-UHFFFAOYSA-N 2 1 374.558 3.180 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000562986456 505011136 /nfs/dbraw/zinc/01/11/36/505011136.db2.gz ZCGGPSUXOXRJCY-QFIPXVFZSA-N 2 1 366.505 3.333 20 30 FGEDMP Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942314 507190624 /nfs/dbraw/zinc/19/06/24/507190624.db2.gz LLDOYUYMHDVGES-AWEZNQCLSA-N 2 1 372.538 3.083 20 30 FGEDMP Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942314 507190636 /nfs/dbraw/zinc/19/06/36/507190636.db2.gz LLDOYUYMHDVGES-AWEZNQCLSA-N 2 1 372.538 3.083 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000180489772 705743007 /nfs/dbraw/zinc/74/30/07/705743007.db2.gz LQYMOXWTDXVUNE-UHFFFAOYSA-N 2 1 351.535 3.452 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262049714 713717915 /nfs/dbraw/zinc/71/79/15/713717915.db2.gz VOAMXVHIJMLHNZ-SUMWQHHRSA-N 2 1 352.885 3.319 20 30 FGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000819101271 727347438 /nfs/dbraw/zinc/34/74/38/727347438.db2.gz QCFLOXWRPKVECA-QWFCFKBJSA-N 2 1 355.507 3.326 20 30 FGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000819101271 727347450 /nfs/dbraw/zinc/34/74/50/727347450.db2.gz QCFLOXWRPKVECA-QWFCFKBJSA-N 2 1 355.507 3.326 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3csc(C#N)c3)CC2)CC1 ZINC000892149652 739970715 /nfs/dbraw/zinc/97/07/15/739970715.db2.gz FRROPYLTTWBYPJ-UHFFFAOYSA-N 2 1 360.571 3.248 20 30 FGEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000579790867 505621534 /nfs/dbraw/zinc/62/15/34/505621534.db2.gz FFOYCTREMNEFOQ-UHFFFAOYSA-N 2 1 369.553 3.399 20 30 FGEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564585 493837784 /nfs/dbraw/zinc/83/77/84/493837784.db2.gz DJWMJPYWMOYEDE-NQIIRXRSSA-N 2 1 362.562 3.017 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000072718211 494239201 /nfs/dbraw/zinc/23/92/01/494239201.db2.gz SDNVFOIGEHTCHF-INIZCTEOSA-N 2 1 374.916 3.348 20 30 FGEDMP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121647071 494829481 /nfs/dbraw/zinc/82/94/81/494829481.db2.gz LCVZKDHXHJMPSF-CQSZACIVSA-N 2 1 374.554 3.099 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cc1F ZINC000123449380 495134165 /nfs/dbraw/zinc/13/41/65/495134165.db2.gz BJTISZDBFIZPAY-UHFFFAOYSA-N 2 1 360.396 3.129 20 30 FGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000112658080 495218923 /nfs/dbraw/zinc/21/89/23/495218923.db2.gz YFOBCVUEOIUVHE-LJQANCHMSA-N 2 1 368.525 3.331 20 30 FGEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125010989 495377044 /nfs/dbraw/zinc/37/70/44/495377044.db2.gz OMMSXXBLQUFOER-QZTJIDSGSA-N 2 1 359.514 3.038 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185727903 495699746 /nfs/dbraw/zinc/69/97/46/495699746.db2.gz FNPWONKKGLIBNE-HOCLYGCPSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185727903 495699749 /nfs/dbraw/zinc/69/97/49/495699749.db2.gz FNPWONKKGLIBNE-HOCLYGCPSA-N 2 1 374.916 3.393 20 30 FGEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000176748157 495772161 /nfs/dbraw/zinc/77/21/61/495772161.db2.gz SQWSBAWUDXDJTC-UHFFFAOYSA-N 2 1 358.530 3.015 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194822 495900034 /nfs/dbraw/zinc/90/00/34/495900034.db2.gz JCKLUZZFLPFKDQ-OXQOHEQNSA-N 2 1 351.498 3.121 20 30 FGEDMP C=CCc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc(OC)c1O ZINC000364676051 498084326 /nfs/dbraw/zinc/08/43/26/498084326.db2.gz WOXFPXYEALPTED-FPOVZHCZSA-N 2 1 367.493 3.307 20 30 FGEDMP C=CCc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc(OC)c1O ZINC000364676051 498084334 /nfs/dbraw/zinc/08/43/34/498084334.db2.gz WOXFPXYEALPTED-FPOVZHCZSA-N 2 1 367.493 3.307 20 30 FGEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000286232922 498332923 /nfs/dbraw/zinc/33/29/23/498332923.db2.gz SYEJXVKAXOOLSU-KDURUIRLSA-N 2 1 370.541 3.006 20 30 FGEDMP C=CCc1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc(OC)c1O ZINC000367431012 499198110 /nfs/dbraw/zinc/19/81/10/499198110.db2.gz MVOXTOWGRUZQMA-UHFFFAOYSA-N 2 1 374.525 3.205 20 30 FGEDMP C=CCc1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc(OC)c1O ZINC000367431012 499198111 /nfs/dbraw/zinc/19/81/11/499198111.db2.gz MVOXTOWGRUZQMA-UHFFFAOYSA-N 2 1 374.525 3.205 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340926 499393138 /nfs/dbraw/zinc/39/31/38/499393138.db2.gz BFJCEVKJQXHHEI-COPCDDAFSA-N 2 1 371.525 3.348 20 30 FGEDMP N#Cc1ccc(OCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637161 499544191 /nfs/dbraw/zinc/54/41/91/499544191.db2.gz JMCFDBSAAXIVCD-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637161 499544193 /nfs/dbraw/zinc/54/41/93/499544193.db2.gz JMCFDBSAAXIVCD-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637161 499544194 /nfs/dbraw/zinc/54/41/94/499544194.db2.gz JMCFDBSAAXIVCD-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375717 503164516 /nfs/dbraw/zinc/16/45/16/503164516.db2.gz UNUGESPZCVPFNG-LJQANCHMSA-N 2 1 363.509 3.122 20 30 FGEDMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375717 503164520 /nfs/dbraw/zinc/16/45/20/503164520.db2.gz UNUGESPZCVPFNG-LJQANCHMSA-N 2 1 363.509 3.122 20 30 FGEDMP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375717 503164525 /nfs/dbraw/zinc/16/45/25/503164525.db2.gz UNUGESPZCVPFNG-LJQANCHMSA-N 2 1 363.509 3.122 20 30 FGEDMP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375717 503164529 /nfs/dbraw/zinc/16/45/29/503164529.db2.gz UNUGESPZCVPFNG-LJQANCHMSA-N 2 1 363.509 3.122 20 30 FGEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000532950068 503670935 /nfs/dbraw/zinc/67/09/35/503670935.db2.gz WUXXWINEJNBBPX-UHFFFAOYSA-N 2 1 362.905 3.202 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000532950068 503670937 /nfs/dbraw/zinc/67/09/37/503670937.db2.gz WUXXWINEJNBBPX-UHFFFAOYSA-N 2 1 362.905 3.202 20 30 FGEDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000539602765 504622960 /nfs/dbraw/zinc/62/29/60/504622960.db2.gz PZPUVPRJXCTHDE-INIZCTEOSA-N 2 1 353.441 3.380 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@H]2CCC[C@H]21 ZINC000560523855 505113777 /nfs/dbraw/zinc/11/37/77/505113777.db2.gz FTZHELOGWPAMEK-IZBJGVDFSA-N 2 1 356.489 3.129 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567160475 505381098 /nfs/dbraw/zinc/38/10/98/505381098.db2.gz KVVAXBUBNMZNKT-MRXNPFEDSA-N 2 1 373.324 3.363 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000562061275 505507491 /nfs/dbraw/zinc/50/74/91/505507491.db2.gz IYTAMNSAAIIAGH-ILWGZMRPSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000562061275 505507494 /nfs/dbraw/zinc/50/74/94/505507494.db2.gz IYTAMNSAAIIAGH-ILWGZMRPSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562061275 505507496 /nfs/dbraw/zinc/50/74/96/505507496.db2.gz IYTAMNSAAIIAGH-ILWGZMRPSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000562061275 505507499 /nfs/dbraw/zinc/50/74/99/505507499.db2.gz IYTAMNSAAIIAGH-ILWGZMRPSA-N 2 1 369.553 3.253 20 30 FGEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000590777774 506948528 /nfs/dbraw/zinc/94/85/28/506948528.db2.gz FGTXJRWLVPSCKM-BHDDXSALSA-N 2 1 352.526 3.007 20 30 FGEDMP CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000594440885 507135387 /nfs/dbraw/zinc/13/53/87/507135387.db2.gz IXBBTELOOZLJHM-YZGWKJHDSA-N 2 1 356.514 3.082 20 30 FGEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1 ZINC000591478059 507266103 /nfs/dbraw/zinc/26/61/03/507266103.db2.gz YUOKBXJFJJNUQZ-UHFFFAOYSA-N 2 1 368.569 3.480 20 30 FGEDMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065407 507374813 /nfs/dbraw/zinc/37/48/13/507374813.db2.gz AYEIYWDTNSSZRQ-YWZLYKJASA-N 2 1 353.441 3.115 20 30 FGEDMP C=CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000615002671 507717837 /nfs/dbraw/zinc/71/78/37/507717837.db2.gz OQPZAXZSEIJLDR-UHFFFAOYSA-N 2 1 355.526 3.402 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195198844 713548908 /nfs/dbraw/zinc/54/89/08/713548908.db2.gz IOMSHCXDHCMYJN-FQEVSTJZSA-N 2 1 351.535 3.264 20 30 FGEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1cccs1 ZINC000304780613 713791765 /nfs/dbraw/zinc/79/17/65/713791765.db2.gz FZKCBSAJBZTJQN-MJGOQNOKSA-N 2 1 356.539 3.278 20 30 FGEDMP C=C(Br)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000756116105 722961041 /nfs/dbraw/zinc/96/10/41/722961041.db2.gz ISYUTDMBADMIJF-UHFFFAOYSA-N 2 1 352.320 3.217 20 30 FGEDMP N#Cc1csc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000898520207 742804461 /nfs/dbraw/zinc/80/44/61/742804461.db2.gz VUKSXGBRWMOHNW-SQNIBIBYSA-N 2 1 352.507 3.405 20 30 FGEDMP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998005048 765091042 /nfs/dbraw/zinc/09/10/42/765091042.db2.gz FCSKXWDEINLQEN-FGTMMUONSA-N 2 1 355.954 3.172 20 30 FGEDMP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005048 765091049 /nfs/dbraw/zinc/09/10/49/765091049.db2.gz FCSKXWDEINLQEN-FGTMMUONSA-N 2 1 355.954 3.172 20 30 FGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005048 765091053 /nfs/dbraw/zinc/09/10/53/765091053.db2.gz FCSKXWDEINLQEN-FGTMMUONSA-N 2 1 355.954 3.172 20 30 FGEDMP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000998005051 765091085 /nfs/dbraw/zinc/09/10/85/765091085.db2.gz FCSKXWDEINLQEN-OKZBNKHCSA-N 2 1 355.954 3.172 20 30 FGEDMP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005051 765091095 /nfs/dbraw/zinc/09/10/95/765091095.db2.gz FCSKXWDEINLQEN-OKZBNKHCSA-N 2 1 355.954 3.172 20 30 FGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000998005051 765091106 /nfs/dbraw/zinc/09/11/06/765091106.db2.gz FCSKXWDEINLQEN-OKZBNKHCSA-N 2 1 355.954 3.172 20 30 FGEDMP COc1cc(C#N)ccc1C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121439333 494756758 /nfs/dbraw/zinc/75/67/58/494756758.db2.gz MIGBPMZKVRLPEM-UHFFFAOYSA-N 2 1 365.481 3.075 20 30 FGEDMP COc1cc(C#N)ccc1C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121439333 494756764 /nfs/dbraw/zinc/75/67/64/494756764.db2.gz MIGBPMZKVRLPEM-UHFFFAOYSA-N 2 1 365.481 3.075 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821555 494764083 /nfs/dbraw/zinc/76/40/83/494764083.db2.gz VNDDOHJYFOQQJR-IBGZPJMESA-N 2 1 372.557 3.433 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000574393060 505762810 /nfs/dbraw/zinc/76/28/10/505762810.db2.gz OXUITPQXDBFMGT-LJQANCHMSA-N 2 1 363.505 3.395 20 30 FGEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000113335788 495297988 /nfs/dbraw/zinc/29/79/88/495297988.db2.gz NEWBLGIJLKXSTH-KRWDZBQOSA-N 2 1 362.481 3.395 20 30 FGEDMP CC[C@H]1CCCC[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181744908 496527402 /nfs/dbraw/zinc/52/74/02/496527402.db2.gz QPARKVKJRLSUPL-QFIPXVFZSA-N 2 1 354.542 3.377 20 30 FGEDMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181993 496968855 /nfs/dbraw/zinc/96/88/55/496968855.db2.gz WOCYWQAONHIQKI-VQIMIIECSA-N 2 1 374.916 3.003 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3cc(F)ccc3F)c2)CCO1 ZINC000288783380 497898005 /nfs/dbraw/zinc/89/80/05/497898005.db2.gz WOVKRABTJVZQNL-CQSZACIVSA-N 2 1 374.435 3.112 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3cc(F)ccc3F)c2)CCO1 ZINC000288783380 497898014 /nfs/dbraw/zinc/89/80/14/497898014.db2.gz WOVKRABTJVZQNL-CQSZACIVSA-N 2 1 374.435 3.112 20 30 FGEDMP C[C@H](C[NH+](C)CC#CC[N@H+](C)C[C@H](C)c1nccs1)c1nccs1 ZINC000569632803 505980412 /nfs/dbraw/zinc/98/04/12/505980412.db2.gz MOVALISUIDEOPZ-IYBDPMFKSA-N 2 1 362.568 3.374 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517828 499750418 /nfs/dbraw/zinc/75/04/18/499750418.db2.gz NQYUAPZEONNAQV-FUHWJXTLSA-N 2 1 354.498 3.129 20 30 FGEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)C[C@H]1C ZINC000442827192 500631956 /nfs/dbraw/zinc/63/19/56/500631956.db2.gz KWKGMDIGDLMYOJ-IZZBFERCSA-N 2 1 355.526 3.478 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442969533 500655401 /nfs/dbraw/zinc/65/54/01/500655401.db2.gz SUDHXCXTBZAPER-NFBKMPQASA-N 2 1 367.537 3.055 20 30 FGEDMP C=CC(C)(C)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000458994295 501573607 /nfs/dbraw/zinc/57/36/07/501573607.db2.gz YSXOAZIAFOOBPW-UHFFFAOYSA-N 2 1 364.578 3.036 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071109 502927793 /nfs/dbraw/zinc/92/77/93/502927793.db2.gz UYCTZCDOGHKKEP-GOSISDBHSA-N 2 1 358.530 3.043 20 30 FGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490543995 503193171 /nfs/dbraw/zinc/19/31/71/503193171.db2.gz LOTVMRKRRXQJKM-JXFKEZNVSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490543995 503193172 /nfs/dbraw/zinc/19/31/72/503193172.db2.gz LOTVMRKRRXQJKM-JXFKEZNVSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490543995 503193173 /nfs/dbraw/zinc/19/31/73/503193173.db2.gz LOTVMRKRRXQJKM-JXFKEZNVSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000490543995 503193174 /nfs/dbraw/zinc/19/31/74/503193174.db2.gz LOTVMRKRRXQJKM-JXFKEZNVSA-N 2 1 351.498 3.263 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000532949943 503671508 /nfs/dbraw/zinc/67/15/08/503671508.db2.gz ORJCOMUWUOKWOE-LJQANCHMSA-N 2 1 370.541 3.374 20 30 FGEDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000536737531 503704201 /nfs/dbraw/zinc/70/42/01/503704201.db2.gz KHLAYONCUXLTND-UHFFFAOYSA-N 2 1 368.525 3.331 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1)CC1CC1 ZINC000536737531 503704206 /nfs/dbraw/zinc/70/42/06/503704206.db2.gz KHLAYONCUXLTND-UHFFFAOYSA-N 2 1 368.525 3.331 20 30 FGEDMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1C#N ZINC000562467986 504829880 /nfs/dbraw/zinc/82/98/80/504829880.db2.gz YLKZCMYFLMUALU-IBGZPJMESA-N 2 1 354.523 3.007 20 30 FGEDMP Cc1cc(C#N)ccc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000586779694 507668260 /nfs/dbraw/zinc/66/82/60/507668260.db2.gz KIJTWQBLIFKPOK-XMMPIXPASA-N 2 1 374.532 3.259 20 30 FGEDMP Cc1cc(C#N)ccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000586779694 507668266 /nfs/dbraw/zinc/66/82/66/507668266.db2.gz KIJTWQBLIFKPOK-XMMPIXPASA-N 2 1 374.532 3.259 20 30 FGEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000078911235 700290846 /nfs/dbraw/zinc/29/08/46/700290846.db2.gz YMLRIEASLIQQKZ-CQSZACIVSA-N 2 1 363.299 3.035 20 30 FGEDMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000078911235 700290850 /nfs/dbraw/zinc/29/08/50/700290850.db2.gz YMLRIEASLIQQKZ-CQSZACIVSA-N 2 1 363.299 3.035 20 30 FGEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1cccs1 ZINC000304780611 713791877 /nfs/dbraw/zinc/79/18/77/713791877.db2.gz FZKCBSAJBZTJQN-IEBWSBKVSA-N 2 1 356.539 3.278 20 30 FGEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000305813315 713793572 /nfs/dbraw/zinc/79/35/72/713793572.db2.gz KQSKQQJCGJSKIW-MRXNPFEDSA-N 2 1 356.436 3.497 20 30 FGEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCC(=O)Nc2sccc2C#N)cc1 ZINC000859214137 732290907 /nfs/dbraw/zinc/29/09/07/732290907.db2.gz MHYDPZAGAICIBJ-UHFFFAOYSA-N 2 1 356.495 3.142 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000892880762 740053692 /nfs/dbraw/zinc/05/36/92/740053692.db2.gz IRXYPMFODARBKV-FQEVSTJZSA-N 2 1 351.535 3.264 20 30 FGEDMP N#Cc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000090106541 494442808 /nfs/dbraw/zinc/44/28/08/494442808.db2.gz PTEVPFOAMSWHPE-UHFFFAOYSA-N 2 1 367.468 3.373 20 30 FGEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000092587198 494677449 /nfs/dbraw/zinc/67/74/49/494677449.db2.gz VZFCSAZSKVYQRM-GBESFXJTSA-N 2 1 371.525 3.299 20 30 FGEDMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000092043580 494766377 /nfs/dbraw/zinc/76/63/77/494766377.db2.gz QIYSXMCIXAVHNP-OALUTQOASA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000092043580 494766385 /nfs/dbraw/zinc/76/63/85/494766385.db2.gz QIYSXMCIXAVHNP-OALUTQOASA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCCCC#N ZINC000092043580 494766390 /nfs/dbraw/zinc/76/63/90/494766390.db2.gz QIYSXMCIXAVHNP-OALUTQOASA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCCCC#N ZINC000092043580 494766397 /nfs/dbraw/zinc/76/63/97/494766397.db2.gz QIYSXMCIXAVHNP-OALUTQOASA-N 2 1 357.498 3.294 20 30 FGEDMP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125011419 495377850 /nfs/dbraw/zinc/37/78/50/495377850.db2.gz OMMSXXBLQUFOER-MSOLQXFVSA-N 2 1 359.514 3.038 20 30 FGEDMP Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698649 495685903 /nfs/dbraw/zinc/68/59/03/495685903.db2.gz SITCOVZQMMCRHO-ZMSDIMECSA-N 2 1 372.513 3.338 20 30 FGEDMP Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698649 495685912 /nfs/dbraw/zinc/68/59/12/495685912.db2.gz SITCOVZQMMCRHO-ZMSDIMECSA-N 2 1 372.513 3.338 20 30 FGEDMP N#Cc1csc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177686939 496160688 /nfs/dbraw/zinc/16/06/88/496160688.db2.gz LDASGHYOHNZUNW-UHFFFAOYSA-N 2 1 368.550 3.307 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000153047871 496335547 /nfs/dbraw/zinc/33/55/47/496335547.db2.gz UGQIILYECYIBOY-QGZVFWFLSA-N 2 1 361.505 3.353 20 30 FGEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181567784 496448975 /nfs/dbraw/zinc/44/89/75/496448975.db2.gz JVJVHDQOHDHRQR-RTBURBONSA-N 2 1 354.542 3.233 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191478193 496776728 /nfs/dbraw/zinc/77/67/28/496776728.db2.gz DJTCMWAPKSHALR-MRXNPFEDSA-N 2 1 353.470 3.056 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191478193 496776732 /nfs/dbraw/zinc/77/67/32/496776732.db2.gz DJTCMWAPKSHALR-MRXNPFEDSA-N 2 1 353.470 3.056 20 30 FGEDMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1OC ZINC000266242080 497286964 /nfs/dbraw/zinc/28/69/64/497286964.db2.gz XQHWFNPOBUSQAJ-UHFFFAOYSA-N 2 1 357.454 3.170 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441866 497408134 /nfs/dbraw/zinc/40/81/34/497408134.db2.gz VUMDUAWQDZQLGU-YOEHRIQHSA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441866 497408141 /nfs/dbraw/zinc/40/81/41/497408141.db2.gz VUMDUAWQDZQLGU-YOEHRIQHSA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000245441866 497408143 /nfs/dbraw/zinc/40/81/43/497408143.db2.gz VUMDUAWQDZQLGU-YOEHRIQHSA-N 2 1 374.554 3.099 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329680767 497867267 /nfs/dbraw/zinc/86/72/67/497867267.db2.gz RNEWUDMVGMWLLW-JLJPHGGASA-N 2 1 361.534 3.256 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329680767 497867273 /nfs/dbraw/zinc/86/72/73/497867273.db2.gz RNEWUDMVGMWLLW-JLJPHGGASA-N 2 1 361.534 3.256 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675183 498167566 /nfs/dbraw/zinc/16/75/66/498167566.db2.gz ULOXFQZPDHHFTL-XZOQPEGZSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675183 498167579 /nfs/dbraw/zinc/16/75/79/498167579.db2.gz ULOXFQZPDHHFTL-XZOQPEGZSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675183 498167559 /nfs/dbraw/zinc/16/75/59/498167559.db2.gz ULOXFQZPDHHFTL-XZOQPEGZSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675183 498167571 /nfs/dbraw/zinc/16/75/71/498167571.db2.gz ULOXFQZPDHHFTL-XZOQPEGZSA-N 2 1 361.489 3.190 20 30 FGEDMP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1ccnc1 ZINC000329164356 499060274 /nfs/dbraw/zinc/06/02/74/499060274.db2.gz GUJWIZXAYKODIT-NVXWUHKLSA-N 2 1 370.453 3.216 20 30 FGEDMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1ccnc1 ZINC000329164356 499060278 /nfs/dbraw/zinc/06/02/78/499060278.db2.gz GUJWIZXAYKODIT-NVXWUHKLSA-N 2 1 370.453 3.216 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000369908115 499149965 /nfs/dbraw/zinc/14/99/65/499149965.db2.gz JLSSEDGSQAJLQF-GOSISDBHSA-N 2 1 354.542 3.088 20 30 FGEDMP C[N@@H+](CCCC1(C#N)CCOCC1)C1CCN(CCc2ccncc2)CC1 ZINC000369065449 499362088 /nfs/dbraw/zinc/36/20/88/499362088.db2.gz OVRZPGCNZHQOQN-UHFFFAOYSA-N 2 1 370.541 3.121 20 30 FGEDMP Cc1cc(N2CCC([N@@H+](C)CCCC3(C#N)CCOCC3)CC2)nc(C)n1 ZINC000375597600 499536420 /nfs/dbraw/zinc/53/64/20/499536420.db2.gz NAVIHWNRRYXKHT-UHFFFAOYSA-N 2 1 371.529 3.095 20 30 FGEDMP Cc1cc(N2CCC([N@H+](C)CCCC3(C#N)CCOCC3)CC2)nc(C)[nH+]1 ZINC000375597600 499536421 /nfs/dbraw/zinc/53/64/21/499536421.db2.gz NAVIHWNRRYXKHT-UHFFFAOYSA-N 2 1 371.529 3.095 20 30 FGEDMP Cc1cc(N2CCC([N@@H+](C)CCCC3(C#N)CCOCC3)CC2)nc(C)[nH+]1 ZINC000375597600 499536422 /nfs/dbraw/zinc/53/64/22/499536422.db2.gz NAVIHWNRRYXKHT-UHFFFAOYSA-N 2 1 371.529 3.095 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)CC1 ZINC000377788612 499733695 /nfs/dbraw/zinc/73/36/95/499733695.db2.gz XKZZKULEJIVRBM-LJQANCHMSA-N 2 1 373.545 3.394 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517825 499750615 /nfs/dbraw/zinc/75/06/15/499750615.db2.gz NQYUAPZEONNAQV-AEFFLSMTSA-N 2 1 354.498 3.129 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000449079407 500919368 /nfs/dbraw/zinc/91/93/68/500919368.db2.gz YPWZTTTVLAIQJZ-ATKRNPRHSA-N 2 1 354.542 3.427 20 30 FGEDMP C=CCOc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000512705755 503617237 /nfs/dbraw/zinc/61/72/37/503617237.db2.gz PHRMMHPKCPQBEI-BGYRXZFFSA-N 2 1 357.542 3.242 20 30 FGEDMP C=CCOc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000512705755 503617241 /nfs/dbraw/zinc/61/72/41/503617241.db2.gz PHRMMHPKCPQBEI-BGYRXZFFSA-N 2 1 357.542 3.242 20 30 FGEDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000538397170 504234650 /nfs/dbraw/zinc/23/46/50/504234650.db2.gz SIFXMSGILPHFKO-VQIMIIECSA-N 2 1 354.523 3.259 20 30 FGEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000539498222 504589853 /nfs/dbraw/zinc/58/98/53/504589853.db2.gz KRLGCTCZBNDGGD-RTBURBONSA-N 2 1 354.542 3.375 20 30 FGEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000539498222 504589858 /nfs/dbraw/zinc/58/98/58/504589858.db2.gz KRLGCTCZBNDGGD-RTBURBONSA-N 2 1 354.542 3.375 20 30 FGEDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000559271612 504815312 /nfs/dbraw/zinc/81/53/12/504815312.db2.gz FBYUFUGZEPTMID-KRWDZBQOSA-N 2 1 374.492 3.265 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@H]2CCC[C@H]21 ZINC000556893596 505008879 /nfs/dbraw/zinc/00/88/79/505008879.db2.gz VZKBVOFBZLEPIM-ZCFHBRKKSA-N 2 1 354.498 3.106 20 30 FGEDMP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000605738750 507281437 /nfs/dbraw/zinc/28/14/37/507281437.db2.gz GJPKJHSZURVTFB-UHFFFAOYSA-N 2 1 365.521 3.382 20 30 FGEDMP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000605738750 507281443 /nfs/dbraw/zinc/28/14/43/507281443.db2.gz GJPKJHSZURVTFB-UHFFFAOYSA-N 2 1 365.521 3.382 20 30 FGEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614163006 507389527 /nfs/dbraw/zinc/38/95/27/507389527.db2.gz QFXXLHOWXFIJRY-WOJBJXKFSA-N 2 1 368.569 3.478 20 30 FGEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614163005 507389664 /nfs/dbraw/zinc/38/96/64/507389664.db2.gz QFXXLHOWXFIJRY-PMACEKPBSA-N 2 1 368.569 3.478 20 30 FGEDMP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167271 507393698 /nfs/dbraw/zinc/39/36/98/507393698.db2.gz GANDDHWEFOGLCM-NRFANRHFSA-N 2 1 354.542 3.090 20 30 FGEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167271 507393701 /nfs/dbraw/zinc/39/37/01/507393701.db2.gz GANDDHWEFOGLCM-NRFANRHFSA-N 2 1 354.542 3.090 20 30 FGEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167271 507393707 /nfs/dbraw/zinc/39/37/07/507393707.db2.gz GANDDHWEFOGLCM-NRFANRHFSA-N 2 1 354.542 3.090 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598730340 507570627 /nfs/dbraw/zinc/57/06/27/507570627.db2.gz UCLFRRCICGNCMI-VQTJNVASSA-N 2 1 355.526 3.179 20 30 FGEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683204 713728639 /nfs/dbraw/zinc/72/86/39/713728639.db2.gz XFTUBQOFJUJPEB-XPKDYRNWSA-N 2 1 354.420 3.026 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818989147 727335098 /nfs/dbraw/zinc/33/50/98/727335098.db2.gz ZIWREKABGUASTC-XLIONFOSSA-N 2 1 355.507 3.155 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818989147 727335101 /nfs/dbraw/zinc/33/51/01/727335101.db2.gz ZIWREKABGUASTC-XLIONFOSSA-N 2 1 355.507 3.155 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819024772 727339329 /nfs/dbraw/zinc/33/93/29/727339329.db2.gz VCNMQOVNOGZZMJ-KRWDZBQOSA-N 2 1 371.294 3.252 20 30 FGEDMP CC[NH+](CC)[C@H](CNC(NC1CC1)=[NH+]C)c1ccc(C(F)(F)F)cc1 ZINC000849028027 731223894 /nfs/dbraw/zinc/22/38/94/731223894.db2.gz XXAFMRUSZCAPKV-MRXNPFEDSA-N 2 1 356.436 3.416 20 30 FGEDMP C=C(Cl)C[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001004442362 765433031 /nfs/dbraw/zinc/43/30/31/765433031.db2.gz LTBFBTXCZWLRBV-IPMKNSEASA-N 2 1 367.965 3.172 20 30 FGEDMP C=C(Cl)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004442362 765433034 /nfs/dbraw/zinc/43/30/34/765433034.db2.gz LTBFBTXCZWLRBV-IPMKNSEASA-N 2 1 367.965 3.172 20 30 FGEDMP C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001004442362 765433037 /nfs/dbraw/zinc/43/30/37/765433037.db2.gz LTBFBTXCZWLRBV-IPMKNSEASA-N 2 1 367.965 3.172 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000066533580 494351570 /nfs/dbraw/zinc/35/15/70/494351570.db2.gz RWPLKPWEGMUEQL-UHFFFAOYSA-N 2 1 360.889 3.100 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000109025611 494822822 /nfs/dbraw/zinc/82/28/22/494822822.db2.gz HTAAWIYZRJMVDB-UHFFFAOYSA-N 2 1 362.543 3.392 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134920908 495223937 /nfs/dbraw/zinc/22/39/37/495223937.db2.gz MBXRCFWYIAAZMQ-CEMLEFRQSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134920908 495223941 /nfs/dbraw/zinc/22/39/41/495223941.db2.gz MBXRCFWYIAAZMQ-CEMLEFRQSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134920908 495223944 /nfs/dbraw/zinc/22/39/44/495223944.db2.gz MBXRCFWYIAAZMQ-CEMLEFRQSA-N 2 1 370.537 3.104 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(C[N@H+](C)CCCC)CC2)CC1 ZINC000106341001 495446906 /nfs/dbraw/zinc/44/69/06/495446906.db2.gz VBKSUCPAQVRIQW-UHFFFAOYSA-N 2 1 364.578 3.180 20 30 FGEDMP N#Cc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000176950765 495854556 /nfs/dbraw/zinc/85/45/56/495854556.db2.gz GSWCSSWNTRJMPV-UHFFFAOYSA-N 2 1 368.550 3.307 20 30 FGEDMP C[NH+](CCOCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000178593861 496509383 /nfs/dbraw/zinc/50/93/83/496509383.db2.gz ABKDUIILYUQSLI-UHFFFAOYSA-N 2 1 362.477 3.010 20 30 FGEDMP CC(C)(C)[NH+]1CCC(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181920999 496600087 /nfs/dbraw/zinc/60/00/87/496600087.db2.gz XMERIBFMFVXOTJ-UHFFFAOYSA-N 2 1 354.542 3.375 20 30 FGEDMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271093924 497262813 /nfs/dbraw/zinc/26/28/13/497262813.db2.gz XOJMIIKPXANGSL-UHFFFAOYSA-N 2 1 368.569 3.398 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271931555 497490874 /nfs/dbraw/zinc/49/08/74/497490874.db2.gz LDVUKUUWHKPLSW-INIZCTEOSA-N 2 1 353.441 3.380 20 30 FGEDMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)oc1C ZINC000330223628 498068669 /nfs/dbraw/zinc/06/86/69/498068669.db2.gz NEMDPZWHOBUGFE-SFHVURJKSA-N 2 1 360.502 3.087 20 30 FGEDMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)oc1C ZINC000330223628 498068674 /nfs/dbraw/zinc/06/86/74/498068674.db2.gz NEMDPZWHOBUGFE-SFHVURJKSA-N 2 1 360.502 3.087 20 30 FGEDMP O=C(NC1CC[NH+](C2CC2)CC1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330230230 498070590 /nfs/dbraw/zinc/07/05/90/498070590.db2.gz WKLAWZIEEVFAJA-UHFFFAOYSA-N 2 1 361.396 3.136 20 30 FGEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582135 498418448 /nfs/dbraw/zinc/41/84/48/498418448.db2.gz HVYGOTKSNYOJQB-JOCHJYFZSA-N 2 1 363.509 3.381 20 30 FGEDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582135 498418453 /nfs/dbraw/zinc/41/84/53/498418453.db2.gz HVYGOTKSNYOJQB-JOCHJYFZSA-N 2 1 363.509 3.381 20 30 FGEDMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582135 498418459 /nfs/dbraw/zinc/41/84/59/498418459.db2.gz HVYGOTKSNYOJQB-JOCHJYFZSA-N 2 1 363.509 3.381 20 30 FGEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582135 498418462 /nfs/dbraw/zinc/41/84/62/498418462.db2.gz HVYGOTKSNYOJQB-JOCHJYFZSA-N 2 1 363.509 3.381 20 30 FGEDMP N#Cc1cccc(OCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940283 498763463 /nfs/dbraw/zinc/76/34/63/498763463.db2.gz PMQWZWFBWZPFIO-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940283 498763472 /nfs/dbraw/zinc/76/34/72/498763472.db2.gz PMQWZWFBWZPFIO-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940283 498763478 /nfs/dbraw/zinc/76/34/78/498763478.db2.gz PMQWZWFBWZPFIO-VXKWHMMOSA-N 2 1 361.489 3.391 20 30 FGEDMP O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329486457 499127477 /nfs/dbraw/zinc/12/74/77/499127477.db2.gz RCLLNXNWBYFDCR-WRUMOOJNSA-N 2 1 355.482 3.460 20 30 FGEDMP C=CCC[C@@H](NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccco1 ZINC000367617599 499218174 /nfs/dbraw/zinc/21/81/74/499218174.db2.gz QUSMRGUGKCCBCS-LJQANCHMSA-N 2 1 371.529 3.261 20 30 FGEDMP C=CCC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccco1 ZINC000367617599 499218175 /nfs/dbraw/zinc/21/81/75/499218175.db2.gz QUSMRGUGKCCBCS-LJQANCHMSA-N 2 1 371.529 3.261 20 30 FGEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371178887 499296008 /nfs/dbraw/zinc/29/60/08/499296008.db2.gz VMFXYMZKSNCDJS-MRXNPFEDSA-N 2 1 360.527 3.146 20 30 FGEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371178887 499296010 /nfs/dbraw/zinc/29/60/10/499296010.db2.gz VMFXYMZKSNCDJS-MRXNPFEDSA-N 2 1 360.527 3.146 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000376805134 499635708 /nfs/dbraw/zinc/63/57/08/499635708.db2.gz SSAPZYSYPFSRBP-ZCLUNYJNSA-N 2 1 357.498 3.129 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000376805134 499635710 /nfs/dbraw/zinc/63/57/10/499635710.db2.gz SSAPZYSYPFSRBP-ZCLUNYJNSA-N 2 1 357.498 3.129 20 30 FGEDMP C=CCOc1ccccc1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415136335 499869381 /nfs/dbraw/zinc/86/93/81/499869381.db2.gz RRXYAYBPOGCFJD-UHFFFAOYSA-N 2 1 365.521 3.335 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340598 500445016 /nfs/dbraw/zinc/44/50/16/500445016.db2.gz MUVFPLYHFGXFJP-IAGOWNOFSA-N 2 1 359.539 3.225 20 30 FGEDMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424151028 500460660 /nfs/dbraw/zinc/46/06/60/500460660.db2.gz GXXDHPSBFQOJOO-HXUWFJFHSA-N 2 1 356.514 3.088 20 30 FGEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@@H](C)O1 ZINC000428220551 500483264 /nfs/dbraw/zinc/48/32/64/500483264.db2.gz IEQAPGIUKVDBEJ-IAGOWNOFSA-N 2 1 359.489 3.409 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424373841 500493382 /nfs/dbraw/zinc/49/33/82/500493382.db2.gz HJVUITVKPUVHIT-HUUCEWRRSA-N 2 1 369.303 3.382 20 30 FGEDMP CC[N@H+]1CCC[C@@H](CN(C)Cc2cccc(F)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000428432749 500509081 /nfs/dbraw/zinc/50/90/81/500509081.db2.gz QYRZRWGCCGEODY-LAUBAEHRSA-N 2 1 369.488 3.336 20 30 FGEDMP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000475630422 502235751 /nfs/dbraw/zinc/23/57/51/502235751.db2.gz FDKXSNGXTQSPDX-UHFFFAOYSA-N 2 1 366.465 3.095 20 30 FGEDMP C=CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000512705756 503617372 /nfs/dbraw/zinc/61/73/72/503617372.db2.gz PHRMMHPKCPQBEI-PMACEKPBSA-N 2 1 357.542 3.242 20 30 FGEDMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000540976282 503961432 /nfs/dbraw/zinc/96/14/32/503961432.db2.gz LQKZMLZFKRETQX-DNVCBOLYSA-N 2 1 372.513 3.398 20 30 FGEDMP C=C[C@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000534694664 504216992 /nfs/dbraw/zinc/21/69/92/504216992.db2.gz DHXYVSWYDJNUAJ-CTNGQTDRSA-N 2 1 357.542 3.221 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H]2CCC[C@H]21 ZINC000560523857 505113947 /nfs/dbraw/zinc/11/39/47/505113947.db2.gz FTZHELOGWPAMEK-LCLWPZTBSA-N 2 1 356.489 3.129 20 30 FGEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440524 507132569 /nfs/dbraw/zinc/13/25/69/507132569.db2.gz DWDLYFUOPKQPJM-FXAWDEMLSA-N 2 1 356.514 3.088 20 30 FGEDMP Cc1cc(C#N)ccc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000586779693 507668976 /nfs/dbraw/zinc/66/89/76/507668976.db2.gz KIJTWQBLIFKPOK-DEOSSOPVSA-N 2 1 374.532 3.259 20 30 FGEDMP Cc1cc(C#N)ccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000586779693 507668982 /nfs/dbraw/zinc/66/89/82/507668982.db2.gz KIJTWQBLIFKPOK-DEOSSOPVSA-N 2 1 374.532 3.259 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896146 507732575 /nfs/dbraw/zinc/73/25/75/507732575.db2.gz HAVXCSMWPCRNSU-JQHSSLGASA-N 2 1 367.415 3.438 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261926007 713715749 /nfs/dbraw/zinc/71/57/49/713715749.db2.gz AZTUXOWQZZOLOR-PBHICJAKSA-N 2 1 352.885 3.176 20 30 FGEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1cccs1 ZINC000304807239 713792204 /nfs/dbraw/zinc/79/22/04/713792204.db2.gz SXAOBNQQPIXDAV-PBHICJAKSA-N 2 1 362.568 3.340 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876891658 736158323 /nfs/dbraw/zinc/15/83/23/736158323.db2.gz APMNLGWHZRSHIN-RCBQFDQVSA-N 2 1 374.287 3.058 20 30 FGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193972 739228214 /nfs/dbraw/zinc/22/82/14/739228214.db2.gz GLBCJKHUXYMTIY-MSOLQXFVSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193972 739228217 /nfs/dbraw/zinc/22/82/17/739228217.db2.gz GLBCJKHUXYMTIY-MSOLQXFVSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193972 739228222 /nfs/dbraw/zinc/22/82/22/739228222.db2.gz GLBCJKHUXYMTIY-MSOLQXFVSA-N 2 1 361.555 3.255 20 30 FGEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000901254070 743242761 /nfs/dbraw/zinc/24/27/61/743242761.db2.gz BBENRSQQFLIKEM-YJBOKZPZSA-N 2 1 367.896 3.096 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904411274 743953177 /nfs/dbraw/zinc/95/31/77/743953177.db2.gz TVOGYAHFZUSBKU-ZDUSSCGKSA-N 2 1 369.303 3.193 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921702044 758773797 /nfs/dbraw/zinc/77/37/97/758773797.db2.gz GIMNHNSUIDFRMH-SJLPKXTDSA-N 2 1 351.535 3.310 20 30 FGEDMP C=C(Cl)C[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001047243561 766632758 /nfs/dbraw/zinc/63/27/58/766632758.db2.gz ZGZKARPPLMCSOM-NZSAHSFTSA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687384 493942340 /nfs/dbraw/zinc/94/23/40/493942340.db2.gz RJZSNWCKNTYNBP-OAQYLSRUSA-N 2 1 373.516 3.337 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687384 493942344 /nfs/dbraw/zinc/94/23/44/493942344.db2.gz RJZSNWCKNTYNBP-OAQYLSRUSA-N 2 1 373.516 3.337 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000158912271 495614710 /nfs/dbraw/zinc/61/47/10/495614710.db2.gz FZSWCPCMUYFVDR-LJQANCHMSA-N 2 1 374.573 3.306 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000158912271 495614715 /nfs/dbraw/zinc/61/47/15/495614715.db2.gz FZSWCPCMUYFVDR-LJQANCHMSA-N 2 1 374.573 3.306 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000158912271 495614719 /nfs/dbraw/zinc/61/47/19/495614719.db2.gz FZSWCPCMUYFVDR-LJQANCHMSA-N 2 1 374.573 3.306 20 30 FGEDMP COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694864 495683837 /nfs/dbraw/zinc/68/38/37/495683837.db2.gz LMLQPQVGJBTMRD-SJLPKXTDSA-N 2 1 357.498 3.188 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719252 495695733 /nfs/dbraw/zinc/69/57/33/495695733.db2.gz FEUYMSYMMSCAMW-GDBMZVCRSA-N 2 1 360.527 3.191 20 30 FGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180171742 495890526 /nfs/dbraw/zinc/89/05/26/495890526.db2.gz DJWZRWAOBSWGPX-SFHVURJKSA-N 2 1 351.498 3.169 20 30 FGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000156038648 496140898 /nfs/dbraw/zinc/14/08/98/496140898.db2.gz SUXUEOMVPPOXQS-QHCPKHFHSA-N 2 1 363.505 3.436 20 30 FGEDMP CC(C)(CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000181395599 496377418 /nfs/dbraw/zinc/37/74/18/496377418.db2.gz QLAIWEYVTMGGFN-UHFFFAOYSA-N 2 1 354.542 3.377 20 30 FGEDMP Cn1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)cc1C#N ZINC000191438762 496762579 /nfs/dbraw/zinc/76/25/79/496762579.db2.gz CYABYAMRIYXGCA-UHFFFAOYSA-N 2 1 351.498 3.287 20 30 FGEDMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCO1 ZINC000278438135 497114214 /nfs/dbraw/zinc/11/42/14/497114214.db2.gz HIXYDDHQXLMYEG-JSRJAPPDSA-N 2 1 355.526 3.481 20 30 FGEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCO1 ZINC000278438135 497114220 /nfs/dbraw/zinc/11/42/20/497114220.db2.gz HIXYDDHQXLMYEG-JSRJAPPDSA-N 2 1 355.526 3.481 20 30 FGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1sccc1C#N ZINC000274834506 497178132 /nfs/dbraw/zinc/17/81/32/497178132.db2.gz NDMXTRHURPNOSK-YJBOKZPZSA-N 2 1 368.506 3.058 20 30 FGEDMP CC(C)[NH+](CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)C(C)C ZINC000278708850 497195994 /nfs/dbraw/zinc/19/59/94/497195994.db2.gz RPOXKYUPOQKCEQ-UHFFFAOYSA-N 2 1 368.529 3.457 20 30 FGEDMP C=CC[NH+]1CCC(NCc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000237433044 497237063 /nfs/dbraw/zinc/23/70/63/497237063.db2.gz FZNXKHMEVSUSAT-UHFFFAOYSA-N 2 1 367.493 3.409 20 30 FGEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000245912629 497569238 /nfs/dbraw/zinc/56/92/38/497569238.db2.gz PMIXGFBXBCWIJD-ZCNNSNEGSA-N 2 1 368.569 3.479 20 30 FGEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438359 499121948 /nfs/dbraw/zinc/12/19/48/499121948.db2.gz APWWJQIWNZUPME-SJORKVTESA-N 2 1 372.513 3.206 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517831 499750542 /nfs/dbraw/zinc/75/05/42/499750542.db2.gz NQYUAPZEONNAQV-SJLPKXTDSA-N 2 1 354.498 3.129 20 30 FGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)c(F)c3)CC2)oc1C ZINC000421326817 500018275 /nfs/dbraw/zinc/01/82/75/500018275.db2.gz OVBYFXNPEKMXEH-UHFFFAOYSA-N 2 1 356.445 3.304 20 30 FGEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000426814908 500324025 /nfs/dbraw/zinc/32/40/25/500324025.db2.gz IUZVVRJFNCCLFN-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000426814908 500324027 /nfs/dbraw/zinc/32/40/27/500324027.db2.gz IUZVVRJFNCCLFN-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423012652 500331144 /nfs/dbraw/zinc/33/11/44/500331144.db2.gz DKFKAINLHIPDEG-DNVJHFABSA-N 2 1 361.489 3.472 20 30 FGEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000444685564 500878498 /nfs/dbraw/zinc/87/84/98/500878498.db2.gz ALSMNINTODWDTC-KDURUIRLSA-N 2 1 365.562 3.297 20 30 FGEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@H](C)O1 ZINC000444685564 500878502 /nfs/dbraw/zinc/87/85/02/500878502.db2.gz ALSMNINTODWDTC-KDURUIRLSA-N 2 1 365.562 3.297 20 30 FGEDMP CCN1CCC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2F)[C@@H]1c1cnn(C)c1 ZINC000434750641 500889084 /nfs/dbraw/zinc/88/90/84/500889084.db2.gz XUUADEYFWURXIU-GHTZIAJQSA-N 2 1 369.488 3.336 20 30 FGEDMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2F)[C@@H]1c1cnn(C)c1 ZINC000434750641 500889085 /nfs/dbraw/zinc/88/90/85/500889085.db2.gz XUUADEYFWURXIU-GHTZIAJQSA-N 2 1 369.488 3.336 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602728058 506275860 /nfs/dbraw/zinc/27/58/60/506275860.db2.gz HXQAODUIVLZCKH-SFHLNBCPSA-N 2 1 355.526 3.443 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000491593388 503322271 /nfs/dbraw/zinc/32/22/71/503322271.db2.gz FVFIMQXOYIRROW-CYBMUJFWSA-N 2 1 371.319 3.310 20 30 FGEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000499951178 503519386 /nfs/dbraw/zinc/51/93/86/503519386.db2.gz RQRDYKRQWVFYSG-UHFFFAOYSA-N 2 1 374.554 3.245 20 30 FGEDMP C=CCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Cl ZINC000516815550 503592178 /nfs/dbraw/zinc/59/21/78/503592178.db2.gz VQQDWRNNEBSHOW-UHFFFAOYSA-N 2 1 365.949 3.363 20 30 FGEDMP C=CCOc1ccccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518248602 503935847 /nfs/dbraw/zinc/93/58/47/503935847.db2.gz SILIVHYNNFJTMK-IBGZPJMESA-N 2 1 371.550 3.391 20 30 FGEDMP CN1CC[NH+](CC2(C)CC[NH+](CC#Cc3ccccc3Cl)CC2)CC1 ZINC000541664884 504215052 /nfs/dbraw/zinc/21/50/52/504215052.db2.gz DKTXYJOAYMLVND-UHFFFAOYSA-N 2 1 359.945 3.041 20 30 FGEDMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556108991 504798964 /nfs/dbraw/zinc/79/89/64/504798964.db2.gz DCLBIYQXBNNSDK-JOCHJYFZSA-N 2 1 354.542 3.329 20 30 FGEDMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000556108991 504798967 /nfs/dbraw/zinc/79/89/67/504798967.db2.gz DCLBIYQXBNNSDK-JOCHJYFZSA-N 2 1 354.542 3.329 20 30 FGEDMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000556108991 504798972 /nfs/dbraw/zinc/79/89/72/504798972.db2.gz DCLBIYQXBNNSDK-JOCHJYFZSA-N 2 1 354.542 3.329 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000556893591 505009044 /nfs/dbraw/zinc/00/90/44/505009044.db2.gz VZKBVOFBZLEPIM-PWKSQPCKSA-N 2 1 354.498 3.106 20 30 FGEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000555612682 505474947 /nfs/dbraw/zinc/47/49/47/505474947.db2.gz ZPLGUEURWXBLAE-IBGZPJMESA-N 2 1 365.477 3.170 20 30 FGEDMP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000555612682 505474949 /nfs/dbraw/zinc/47/49/49/505474949.db2.gz ZPLGUEURWXBLAE-IBGZPJMESA-N 2 1 365.477 3.170 20 30 FGEDMP CC[N@@H+](CCC1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000552787068 505554347 /nfs/dbraw/zinc/55/43/47/505554347.db2.gz NLWFSWDEMSCVGC-UHFFFAOYSA-N 2 1 368.525 3.331 20 30 FGEDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000552787068 505554350 /nfs/dbraw/zinc/55/43/50/505554350.db2.gz NLWFSWDEMSCVGC-UHFFFAOYSA-N 2 1 368.525 3.331 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1)CC1CC1 ZINC000552787068 505554351 /nfs/dbraw/zinc/55/43/51/505554351.db2.gz NLWFSWDEMSCVGC-UHFFFAOYSA-N 2 1 368.525 3.331 20 30 FGEDMP N#Cc1cccc(NC(=O)CC[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000595508752 507536499 /nfs/dbraw/zinc/53/64/99/507536499.db2.gz BEEBMHJWAABYSS-UHFFFAOYSA-N 2 1 362.477 3.141 20 30 FGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535822 507739935 /nfs/dbraw/zinc/73/99/35/507739935.db2.gz UANSKKUXLAIBGU-PZJWPPBQSA-N 2 1 355.526 3.240 20 30 FGEDMP C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000305240053 713792845 /nfs/dbraw/zinc/79/28/45/713792845.db2.gz QRBJBMKSFIRDAX-QWHCGFSZSA-N 2 1 358.408 3.432 20 30 FGEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305707894 713793362 /nfs/dbraw/zinc/79/33/62/713793362.db2.gz WNAMLIBEFFJXQI-WMLDXEAASA-N 2 1 354.901 3.422 20 30 FGEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000746676169 722614324 /nfs/dbraw/zinc/61/43/24/722614324.db2.gz SYZYNXJTTPOPSH-SFHVURJKSA-N 2 1 365.905 3.175 20 30 FGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000746676169 722614327 /nfs/dbraw/zinc/61/43/27/722614327.db2.gz SYZYNXJTTPOPSH-SFHVURJKSA-N 2 1 365.905 3.175 20 30 FGEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135164402 495258357 /nfs/dbraw/zinc/25/83/57/495258357.db2.gz AKMQZRKTAVRERT-WOJBJXKFSA-N 2 1 368.569 3.478 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720669 495697124 /nfs/dbraw/zinc/69/71/24/495697124.db2.gz ZFHKCLTXIXHMLF-MOPGFXCFSA-N 2 1 368.525 3.176 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720669 495697128 /nfs/dbraw/zinc/69/71/28/495697128.db2.gz ZFHKCLTXIXHMLF-MOPGFXCFSA-N 2 1 368.525 3.176 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766635 495719053 /nfs/dbraw/zinc/71/90/53/495719053.db2.gz JHXXREMSGWJFMC-AEFFLSMTSA-N 2 1 354.498 3.129 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000153036223 496333634 /nfs/dbraw/zinc/33/36/34/496333634.db2.gz ROPIZLRYFMDCLT-UHFFFAOYSA-N 2 1 353.510 3.449 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181717194 496514874 /nfs/dbraw/zinc/51/48/74/496514874.db2.gz SQZMDIRACFIGED-UHFFFAOYSA-N 2 1 352.526 3.153 20 30 FGEDMP C=CCCCCCN(C)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000176105210 496685678 /nfs/dbraw/zinc/68/56/78/496685678.db2.gz XNMDIHHGIRXVTN-UHFFFAOYSA-N 2 1 364.578 3.325 20 30 FGEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000237483879 497245009 /nfs/dbraw/zinc/24/50/09/497245009.db2.gz BHIWCWPDFDYDOV-SFHVURJKSA-N 2 1 364.493 3.169 20 30 FGEDMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271094909 497262777 /nfs/dbraw/zinc/26/27/77/497262777.db2.gz YEZXYFGWNWSXGG-UHFFFAOYSA-N 2 1 368.569 3.254 20 30 FGEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cnn(-c2ccncc2)c1C(F)F ZINC000330251449 498078851 /nfs/dbraw/zinc/07/88/51/498078851.db2.gz HQSWWRWKOYJAPF-HUUCEWRRSA-N 2 1 361.396 3.136 20 30 FGEDMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330251449 498078856 /nfs/dbraw/zinc/07/88/56/498078856.db2.gz HQSWWRWKOYJAPF-HUUCEWRRSA-N 2 1 361.396 3.136 20 30 FGEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330251449 498078863 /nfs/dbraw/zinc/07/88/63/498078863.db2.gz HQSWWRWKOYJAPF-HUUCEWRRSA-N 2 1 361.396 3.136 20 30 FGEDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352005 498520911 /nfs/dbraw/zinc/52/09/11/498520911.db2.gz GCYAYOAXOLIICQ-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352005 498520915 /nfs/dbraw/zinc/52/09/15/498520915.db2.gz GCYAYOAXOLIICQ-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352005 498520919 /nfs/dbraw/zinc/52/09/19/498520919.db2.gz GCYAYOAXOLIICQ-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000572768818 506048199 /nfs/dbraw/zinc/04/81/99/506048199.db2.gz UVTAUOGKEQVGRK-AWEZNQCLSA-N 2 1 355.404 3.168 20 30 FGEDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000572768818 506048201 /nfs/dbraw/zinc/04/82/01/506048201.db2.gz UVTAUOGKEQVGRK-AWEZNQCLSA-N 2 1 355.404 3.168 20 30 FGEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000328889085 498975769 /nfs/dbraw/zinc/97/57/69/498975769.db2.gz QOMSKTAIBMLOSO-QRQLOZEOSA-N 2 1 367.497 3.339 20 30 FGEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439190 499198888 /nfs/dbraw/zinc/19/88/88/499198888.db2.gz SAQANBNBKNUHSD-LAUBAEHRSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439190 499198889 /nfs/dbraw/zinc/19/88/89/499198889.db2.gz SAQANBNBKNUHSD-LAUBAEHRSA-N 2 1 359.477 3.206 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468241 499330608 /nfs/dbraw/zinc/33/06/08/499330608.db2.gz AJDHQTBUDCOANN-HMXCVIKNSA-N 2 1 357.498 3.053 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468241 499330609 /nfs/dbraw/zinc/33/06/09/499330609.db2.gz AJDHQTBUDCOANN-HMXCVIKNSA-N 2 1 357.498 3.053 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000373222024 499458250 /nfs/dbraw/zinc/45/82/50/499458250.db2.gz ANHLTZQCIWILHF-YSFYHYPLSA-N 2 1 353.510 3.264 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCC[N@H+]2CCc3ccccc3C2)O1 ZINC000373222024 499458251 /nfs/dbraw/zinc/45/82/51/499458251.db2.gz ANHLTZQCIWILHF-YSFYHYPLSA-N 2 1 353.510 3.264 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)CC1 ZINC000377788611 499733704 /nfs/dbraw/zinc/73/37/04/499733704.db2.gz XKZZKULEJIVRBM-IBGZPJMESA-N 2 1 373.545 3.394 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420340013 500444810 /nfs/dbraw/zinc/44/48/10/500444810.db2.gz MJWYHZVZPGWAIK-KRWDZBQOSA-N 2 1 359.539 3.367 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)C(C)C ZINC000448462149 500761744 /nfs/dbraw/zinc/76/17/44/500761744.db2.gz QXCCCJHOYNKWAE-VAMGGRTRSA-N 2 1 364.578 3.057 20 30 FGEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229932 500820670 /nfs/dbraw/zinc/82/06/70/500820670.db2.gz XVLXKYCXKLHKQP-JKSUJKDBSA-N 2 1 360.527 3.045 20 30 FGEDMP COc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)cc1C#N ZINC000459479616 501660690 /nfs/dbraw/zinc/66/06/90/501660690.db2.gz KFBADZCMGHMOLO-UHFFFAOYSA-N 2 1 358.445 3.437 20 30 FGEDMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511842359 503399105 /nfs/dbraw/zinc/39/91/05/503399105.db2.gz JYPMEJAIGFIHDX-HXUWFJFHSA-N 2 1 362.521 3.369 20 30 FGEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000515893417 503416964 /nfs/dbraw/zinc/41/69/64/503416964.db2.gz BSCFRMGGDSMGOQ-SFHVURJKSA-N 2 1 351.498 3.284 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000531381029 504286679 /nfs/dbraw/zinc/28/66/79/504286679.db2.gz NKEBHOXIUWUSNR-UHFFFAOYSA-N 2 1 372.465 3.358 20 30 FGEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000539498221 504590212 /nfs/dbraw/zinc/59/02/12/504590212.db2.gz KRLGCTCZBNDGGD-RBUKOAKNSA-N 2 1 354.542 3.375 20 30 FGEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000539498221 504590214 /nfs/dbraw/zinc/59/02/14/504590214.db2.gz KRLGCTCZBNDGGD-RBUKOAKNSA-N 2 1 354.542 3.375 20 30 FGEDMP C=CCOc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000539864307 504721924 /nfs/dbraw/zinc/72/19/24/504721924.db2.gz XRSWQMWOGNYGNG-UHFFFAOYSA-N 2 1 357.542 3.242 20 30 FGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000555612683 505475028 /nfs/dbraw/zinc/47/50/28/505475028.db2.gz ZPLGUEURWXBLAE-LJQANCHMSA-N 2 1 365.477 3.170 20 30 FGEDMP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)o1 ZINC000555612683 505475032 /nfs/dbraw/zinc/47/50/32/505475032.db2.gz ZPLGUEURWXBLAE-LJQANCHMSA-N 2 1 365.477 3.170 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000261926019 713715776 /nfs/dbraw/zinc/71/57/76/713715776.db2.gz AZTUXOWQZZOLOR-YOEHRIQHSA-N 2 1 352.885 3.176 20 30 FGEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303988907 713791007 /nfs/dbraw/zinc/79/10/07/713791007.db2.gz WYJXEYSWHRKFOI-GXTWGEPZSA-N 2 1 373.328 3.070 20 30 FGEDMP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000623356355 715317421 /nfs/dbraw/zinc/31/74/21/715317421.db2.gz KWLANJPWVMSVHX-CQSZACIVSA-N 2 1 350.890 3.487 20 30 FGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000799725026 724087953 /nfs/dbraw/zinc/08/79/53/724087953.db2.gz CHPKBAIDSDDRMY-KRWDZBQOSA-N 2 1 365.949 3.495 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000818989146 727335307 /nfs/dbraw/zinc/33/53/07/727335307.db2.gz ZIWREKABGUASTC-PXNSSMCTSA-N 2 1 355.507 3.155 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000818989146 727335310 /nfs/dbraw/zinc/33/53/10/727335310.db2.gz ZIWREKABGUASTC-PXNSSMCTSA-N 2 1 355.507 3.155 20 30 FGEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564581 493837673 /nfs/dbraw/zinc/83/76/73/493837673.db2.gz DJWMJPYWMOYEDE-WIYYLYMNSA-N 2 1 362.562 3.017 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965524 494293252 /nfs/dbraw/zinc/29/32/52/494293252.db2.gz PCHHCWLOOYZZFX-UYAOXDASSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965524 494293255 /nfs/dbraw/zinc/29/32/55/494293255.db2.gz PCHHCWLOOYZZFX-UYAOXDASSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965524 494293260 /nfs/dbraw/zinc/29/32/60/494293260.db2.gz PCHHCWLOOYZZFX-UYAOXDASSA-N 2 1 368.525 3.473 20 30 FGEDMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770041 494920301 /nfs/dbraw/zinc/92/03/01/494920301.db2.gz XXUOOACDKSYLLW-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770041 494920306 /nfs/dbraw/zinc/92/03/06/494920306.db2.gz XXUOOACDKSYLLW-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770041 494920310 /nfs/dbraw/zinc/92/03/10/494920310.db2.gz XXUOOACDKSYLLW-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770041 494920315 /nfs/dbraw/zinc/92/03/15/494920315.db2.gz XXUOOACDKSYLLW-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000123438864 495132723 /nfs/dbraw/zinc/13/27/23/495132723.db2.gz SCEQKGAFSIXDOG-UHFFFAOYSA-N 2 1 362.905 3.204 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000106034057 495405050 /nfs/dbraw/zinc/40/50/50/495405050.db2.gz ZAYOJUPYFSPBEL-HXUWFJFHSA-N 2 1 355.526 3.055 20 30 FGEDMP C=CCOc1ccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)cc1OC ZINC000120907835 495483297 /nfs/dbraw/zinc/48/32/97/495483297.db2.gz WLPYCPSHNXUSSM-UHFFFAOYSA-N 2 1 353.466 3.286 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1C#N ZINC000185662593 495668748 /nfs/dbraw/zinc/66/87/48/495668748.db2.gz HGBLXMSGIUVXKE-XYJFISCASA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1C#N ZINC000185662593 495668750 /nfs/dbraw/zinc/66/87/50/495668750.db2.gz HGBLXMSGIUVXKE-XYJFISCASA-N 2 1 354.498 3.128 20 30 FGEDMP Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698689 495686908 /nfs/dbraw/zinc/68/69/08/495686908.db2.gz SITCOVZQMMCRHO-BFYDXBDKSA-N 2 1 372.513 3.338 20 30 FGEDMP Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698689 495686909 /nfs/dbraw/zinc/68/69/09/495686909.db2.gz SITCOVZQMMCRHO-BFYDXBDKSA-N 2 1 372.513 3.338 20 30 FGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053500 495839270 /nfs/dbraw/zinc/83/92/70/495839270.db2.gz VYQJMKYXNYFORN-QZTJIDSGSA-N 2 1 365.525 3.416 20 30 FGEDMP Cn1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180113796 495863161 /nfs/dbraw/zinc/86/31/61/495863161.db2.gz VYGDFPFZFFYBQA-UHFFFAOYSA-N 2 1 374.492 3.147 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000155888782 496098761 /nfs/dbraw/zinc/09/87/61/496098761.db2.gz SXIMNRULDRTPDZ-KDURUIRLSA-N 2 1 358.501 3.389 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000575248926 505950914 /nfs/dbraw/zinc/95/09/14/505950914.db2.gz YLUITEANVFTVKZ-MRXNPFEDSA-N 2 1 373.324 3.363 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(C#N)cc2)cc1 ZINC000364719320 498111207 /nfs/dbraw/zinc/11/12/07/498111207.db2.gz AIYZVKYPULXIAA-INIZCTEOSA-N 2 1 373.460 3.019 20 30 FGEDMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCn4cncc4C3)c2)C[C@@H](C)O1 ZINC000328933732 498990713 /nfs/dbraw/zinc/99/07/13/498990713.db2.gz DYQCVZBBBHNGGI-NUJGCVRESA-N 2 1 368.481 3.343 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000367629247 499219522 /nfs/dbraw/zinc/21/95/22/499219522.db2.gz BTSPPNGDWXZYQR-VBKZILBWSA-N 2 1 371.460 3.025 20 30 FGEDMP CC(C)(CCC#N)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367674812 499224008 /nfs/dbraw/zinc/22/40/08/499224008.db2.gz WHNACLMQXDDNRL-NRFANRHFSA-N 2 1 354.542 3.208 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(C#N)cc3)CC2)CC1 ZINC000371150552 499293818 /nfs/dbraw/zinc/29/38/18/499293818.db2.gz GCFOJNFOVLGFGK-UHFFFAOYSA-N 2 1 354.542 3.186 20 30 FGEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)cc1 ZINC000371150552 499293820 /nfs/dbraw/zinc/29/38/20/499293820.db2.gz GCFOJNFOVLGFGK-UHFFFAOYSA-N 3 1 354.542 3.186 20 30 FGEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)cc1 ZINC000371150552 499293822 /nfs/dbraw/zinc/29/38/22/499293822.db2.gz GCFOJNFOVLGFGK-UHFFFAOYSA-N 3 1 354.542 3.186 20 30 FGEDMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000369120193 499367715 /nfs/dbraw/zinc/36/77/15/499367715.db2.gz PPMWVXWWTOOKHR-QGZVFWFLSA-N 2 1 374.554 3.392 20 30 FGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000369120193 499367717 /nfs/dbraw/zinc/36/77/17/499367717.db2.gz PPMWVXWWTOOKHR-QGZVFWFLSA-N 2 1 374.554 3.392 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340599 500444887 /nfs/dbraw/zinc/44/48/87/500444887.db2.gz MUVFPLYHFGXFJP-IRXDYDNUSA-N 2 1 359.539 3.225 20 30 FGEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3C(C)(C)C#N)CC2)CC1 ZINC000420974003 500545721 /nfs/dbraw/zinc/54/57/21/500545721.db2.gz DBDXYBBGFALPOB-UHFFFAOYSA-N 2 1 368.569 3.480 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000482142680 501987664 /nfs/dbraw/zinc/98/76/64/501987664.db2.gz LRXOOVOPVUQNOK-IMFGXOCKSA-N 2 1 356.514 3.375 20 30 FGEDMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707380 503862674 /nfs/dbraw/zinc/86/26/74/503862674.db2.gz YCMWHLNYWCGFNS-JTSKRJEESA-N 2 1 366.484 3.337 20 30 FGEDMP COCC[C@H]1CCCC[NH+](CC#CC[N@@H+]2CCCC[C@H](CCOC)C2)C1 ZINC000551395928 505217157 /nfs/dbraw/zinc/21/71/57/505217157.db2.gz WTKMKHIGXHYACE-FGZHOGPDSA-N 2 1 364.574 3.267 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000602520143 507737005 /nfs/dbraw/zinc/73/70/05/507737005.db2.gz FNNWQQRXWRVXSR-MOPGFXCFSA-N 2 1 371.525 3.096 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000602520143 507737009 /nfs/dbraw/zinc/73/70/09/507737009.db2.gz FNNWQQRXWRVXSR-MOPGFXCFSA-N 2 1 371.525 3.096 20 30 FGEDMP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683202 713728726 /nfs/dbraw/zinc/72/87/26/713728726.db2.gz XFTUBQOFJUJPEB-XNRPHZJLSA-N 2 1 354.420 3.026 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819025153 727339553 /nfs/dbraw/zinc/33/95/53/727339553.db2.gz ZSUCTEAIOSYZDZ-KRWDZBQOSA-N 2 1 358.404 3.249 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553251 732038065 /nfs/dbraw/zinc/03/80/65/732038065.db2.gz LLVDYVNGYYUTTK-GOSISDBHSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553251 732038069 /nfs/dbraw/zinc/03/80/69/732038069.db2.gz LLVDYVNGYYUTTK-GOSISDBHSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553251 732038072 /nfs/dbraw/zinc/03/80/72/732038072.db2.gz LLVDYVNGYYUTTK-GOSISDBHSA-N 2 1 356.495 3.120 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904411273 743953133 /nfs/dbraw/zinc/95/31/33/743953133.db2.gz TVOGYAHFZUSBKU-CYBMUJFWSA-N 2 1 369.303 3.193 20 30 FGEDMP FC1(F)[C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923529280 759142548 /nfs/dbraw/zinc/14/25/48/759142548.db2.gz BRRXLSYTQOUHOC-LPEHRKFASA-N 2 1 366.296 3.089 20 30 FGEDMP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000570792785 505581800 /nfs/dbraw/zinc/58/18/00/505581800.db2.gz SRLFSQFCNRVLEN-QETWGEEDSA-N 2 1 352.526 3.132 20 30 FGEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570766 493919440 /nfs/dbraw/zinc/91/94/40/493919440.db2.gz MALCHGMWIMYMHK-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570766 493919443 /nfs/dbraw/zinc/91/94/43/493919443.db2.gz MALCHGMWIMYMHK-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570766 493919447 /nfs/dbraw/zinc/91/94/47/493919447.db2.gz MALCHGMWIMYMHK-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000081570766 493919452 /nfs/dbraw/zinc/91/94/52/493919452.db2.gz MALCHGMWIMYMHK-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP Cc1cc(N2CCC([N@H+](C)Cc3ccc(F)c(C#N)c3)CC2)nc(C)[nH+]1 ZINC000121361926 494721123 /nfs/dbraw/zinc/72/11/23/494721123.db2.gz OJJHJTFCGTVEHJ-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc(F)c(C#N)c3)CC2)nc(C)[nH+]1 ZINC000121361926 494721133 /nfs/dbraw/zinc/72/11/33/494721133.db2.gz OJJHJTFCGTVEHJ-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000179896209 495774918 /nfs/dbraw/zinc/77/49/18/495774918.db2.gz HILOFEWAKZCUDQ-MOPGFXCFSA-N 2 1 356.514 3.010 20 30 FGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000151380360 495821344 /nfs/dbraw/zinc/82/13/44/495821344.db2.gz GQUNCKGOWKBGRD-INIZCTEOSA-N 2 1 352.906 3.315 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000183147272 495854418 /nfs/dbraw/zinc/85/44/18/495854418.db2.gz UFVRCPAKWLPNLG-INIZCTEOSA-N 2 1 365.481 3.174 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181415491 496386032 /nfs/dbraw/zinc/38/60/32/496386032.db2.gz UAQBFDOFSURAFD-SFHVURJKSA-N 2 1 365.477 3.272 20 30 FGEDMP C=C(C)C[N@@H+](CC)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000179215891 496714568 /nfs/dbraw/zinc/71/45/68/496714568.db2.gz ANYPAWNEAPGCOF-UHFFFAOYSA-N 2 1 350.532 3.212 20 30 FGEDMP C=C(C)C[N@H+](CC)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000179215891 496714572 /nfs/dbraw/zinc/71/45/72/496714572.db2.gz ANYPAWNEAPGCOF-UHFFFAOYSA-N 2 1 350.532 3.212 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191478176 496777114 /nfs/dbraw/zinc/77/71/14/496777114.db2.gz DJTCMWAPKSHALR-INIZCTEOSA-N 2 1 353.470 3.056 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000191478176 496777119 /nfs/dbraw/zinc/77/71/19/496777119.db2.gz DJTCMWAPKSHALR-INIZCTEOSA-N 2 1 353.470 3.056 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278741934 497205405 /nfs/dbraw/zinc/20/54/05/497205405.db2.gz AHEJAHWVUBIWID-KRWDZBQOSA-N 2 1 358.530 3.212 20 30 FGEDMP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCCCC#N ZINC000246785623 497810911 /nfs/dbraw/zinc/81/09/11/497810911.db2.gz QIYSXMCIXAVHNP-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000246785623 497810913 /nfs/dbraw/zinc/81/09/13/497810913.db2.gz QIYSXMCIXAVHNP-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000246785623 497810914 /nfs/dbraw/zinc/81/09/14/497810914.db2.gz QIYSXMCIXAVHNP-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OCCCC#N ZINC000246785623 497810915 /nfs/dbraw/zinc/81/09/15/497810915.db2.gz QIYSXMCIXAVHNP-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OCCCC#N ZINC000246785623 497810916 /nfs/dbraw/zinc/81/09/16/497810916.db2.gz QIYSXMCIXAVHNP-RBUKOAKNSA-N 2 1 357.498 3.294 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000299730210 497910340 /nfs/dbraw/zinc/91/03/40/497910340.db2.gz WROZKXALQRFMPK-UHFFFAOYSA-N 2 1 359.861 3.067 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000299730210 497910343 /nfs/dbraw/zinc/91/03/43/497910343.db2.gz WROZKXALQRFMPK-UHFFFAOYSA-N 2 1 359.861 3.067 20 30 FGEDMP C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@@H+]1C1CC1 ZINC000329891866 497941891 /nfs/dbraw/zinc/94/18/91/497941891.db2.gz IMCXVTKZZVRYEP-VXGBXAGGSA-N 2 1 361.396 3.135 20 30 FGEDMP C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@H+]1C1CC1 ZINC000329891866 497941895 /nfs/dbraw/zinc/94/18/95/497941895.db2.gz IMCXVTKZZVRYEP-VXGBXAGGSA-N 2 1 361.396 3.135 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330316739 498102651 /nfs/dbraw/zinc/10/26/51/498102651.db2.gz ZPFWEJNGCDTEKT-IEBWSBKVSA-N 2 1 373.545 3.088 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330316739 498102655 /nfs/dbraw/zinc/10/26/55/498102655.db2.gz ZPFWEJNGCDTEKT-IEBWSBKVSA-N 2 1 373.545 3.088 20 30 FGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000363590136 498892627 /nfs/dbraw/zinc/89/26/27/498892627.db2.gz QWLQRCNCJZPXOL-LJQANCHMSA-N 2 1 368.481 3.146 20 30 FGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000363590136 498892634 /nfs/dbraw/zinc/89/26/34/498892634.db2.gz QWLQRCNCJZPXOL-LJQANCHMSA-N 2 1 368.481 3.146 20 30 FGEDMP COc1cc(C)[nH+]c(CN2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000328867757 498967501 /nfs/dbraw/zinc/96/75/01/498967501.db2.gz OKZHCKRFOCAHFD-FUHWJXTLSA-N 2 1 374.529 3.051 20 30 FGEDMP C#CCC1(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000372690178 499161535 /nfs/dbraw/zinc/16/15/35/499161535.db2.gz GRVUWOZVQDUGAC-UHFFFAOYSA-N 2 1 373.585 3.273 20 30 FGEDMP C[N@@H+](CCCSCC#N)[C@@H]1CCC[NH+](CCCSCC#N)CC1 ZINC000372887382 499189814 /nfs/dbraw/zinc/18/98/14/499189814.db2.gz ZJFWYPWITYTLIY-QGZVFWFLSA-N 2 1 354.589 3.066 20 30 FGEDMP C[NH+](CCCSCC#N)[C@@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000372887382 499189815 /nfs/dbraw/zinc/18/98/15/499189815.db2.gz ZJFWYPWITYTLIY-QGZVFWFLSA-N 2 1 354.589 3.066 20 30 FGEDMP C[NH+](CCCSCC#N)[C@@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000372887382 499189816 /nfs/dbraw/zinc/18/98/16/499189816.db2.gz ZJFWYPWITYTLIY-QGZVFWFLSA-N 2 1 354.589 3.066 20 30 FGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1OC ZINC000367611354 499217368 /nfs/dbraw/zinc/21/73/68/499217368.db2.gz BUWTXQTYKAADTF-MKXGPGLRSA-N 2 1 357.498 3.339 20 30 FGEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370634675 499238022 /nfs/dbraw/zinc/23/80/22/499238022.db2.gz LJINMYXIAADUPY-LRQRDZAKSA-N 2 1 350.466 3.155 20 30 FGEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370634675 499238024 /nfs/dbraw/zinc/23/80/24/499238024.db2.gz LJINMYXIAADUPY-LRQRDZAKSA-N 2 1 350.466 3.155 20 30 FGEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1C#N)CC2)C1CC1 ZINC000371320898 499309988 /nfs/dbraw/zinc/30/99/88/499309988.db2.gz KLWGSCLXYOONCJ-GOSISDBHSA-N 2 1 366.509 3.083 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000373222019 499458292 /nfs/dbraw/zinc/45/82/92/499458292.db2.gz ANHLTZQCIWILHF-CZYKHXBRSA-N 2 1 353.510 3.264 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCC[N@H+]2CCc3ccccc3C2)O1 ZINC000373222019 499458293 /nfs/dbraw/zinc/45/82/93/499458293.db2.gz ANHLTZQCIWILHF-CZYKHXBRSA-N 2 1 353.510 3.264 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000373222026 499458331 /nfs/dbraw/zinc/45/83/31/499458331.db2.gz ANHLTZQCIWILHF-YUMYIRISSA-N 2 1 353.510 3.264 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCC[N@H+]2CCc3ccccc3C2)O1 ZINC000373222026 499458332 /nfs/dbraw/zinc/45/83/32/499458332.db2.gz ANHLTZQCIWILHF-YUMYIRISSA-N 2 1 353.510 3.264 20 30 FGEDMP N#Cc1ccc(OCC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637162 499544084 /nfs/dbraw/zinc/54/40/84/499544084.db2.gz JMCFDBSAAXIVCD-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637162 499544085 /nfs/dbraw/zinc/54/40/85/499544085.db2.gz JMCFDBSAAXIVCD-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000380637162 499544086 /nfs/dbraw/zinc/54/40/86/499544086.db2.gz JMCFDBSAAXIVCD-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000376805133 499635792 /nfs/dbraw/zinc/63/57/92/499635792.db2.gz SSAPZYSYPFSRBP-SQBLYHGDSA-N 2 1 357.498 3.129 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000376805133 499635793 /nfs/dbraw/zinc/63/57/93/499635793.db2.gz SSAPZYSYPFSRBP-SQBLYHGDSA-N 2 1 357.498 3.129 20 30 FGEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC[N@@H+]2CCCOCC2)cc1 ZINC000445558718 501001808 /nfs/dbraw/zinc/00/18/08/501001808.db2.gz RGLCJSVWSJYKKG-UHFFFAOYSA-N 2 1 366.509 3.275 20 30 FGEDMP Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC[N@H+]2CCCOCC2)cc1 ZINC000445558718 501001811 /nfs/dbraw/zinc/00/18/11/501001811.db2.gz RGLCJSVWSJYKKG-UHFFFAOYSA-N 2 1 366.509 3.275 20 30 FGEDMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463239320 502732957 /nfs/dbraw/zinc/73/29/57/502732957.db2.gz XVSMVJHBVGAZNZ-OAQYLSRUSA-N 2 1 354.542 3.233 20 30 FGEDMP C[N@H+]1CCCC(C)(C)[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463239320 502732963 /nfs/dbraw/zinc/73/29/63/502732963.db2.gz XVSMVJHBVGAZNZ-OAQYLSRUSA-N 2 1 354.542 3.233 20 30 FGEDMP C=C[C@H]1CCCCN1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000489441235 502959146 /nfs/dbraw/zinc/95/91/46/502959146.db2.gz QPLCVNZPKQETIK-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000489441235 502959155 /nfs/dbraw/zinc/95/91/55/502959155.db2.gz QPLCVNZPKQETIK-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000489441235 502959160 /nfs/dbraw/zinc/95/91/60/502959160.db2.gz QPLCVNZPKQETIK-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000489441235 502959165 /nfs/dbraw/zinc/95/91/65/502959165.db2.gz QPLCVNZPKQETIK-NRFANRHFSA-N 2 1 355.526 3.070 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C[C@H](C)O1 ZINC000543207915 503681158 /nfs/dbraw/zinc/68/11/58/503681158.db2.gz WDRYLNMVTMJFFZ-KDURUIRLSA-N 2 1 355.526 3.464 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000540910766 503934991 /nfs/dbraw/zinc/93/49/91/503934991.db2.gz BPKFRGFYUSUXJS-NRFANRHFSA-N 2 1 368.525 3.106 20 30 FGEDMP C[N@@H+](CCN1CC[NH+](Cc2ccc(CC#N)cc2)CC1)Cc1ccccc1 ZINC000544144907 504026645 /nfs/dbraw/zinc/02/66/45/504026645.db2.gz FSSPZWRSUGOWKQ-UHFFFAOYSA-N 2 1 362.521 3.002 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 ZINC000519594425 504267425 /nfs/dbraw/zinc/26/74/25/504267425.db2.gz BRKWIEQFSVBYIK-FQEVSTJZSA-N 2 1 360.542 3.354 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000542880807 504644272 /nfs/dbraw/zinc/64/42/72/504644272.db2.gz VPYJKSLNMWECBP-GCKMJXCFSA-N 2 1 367.497 3.274 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440526 507133099 /nfs/dbraw/zinc/13/30/99/507133099.db2.gz DWDLYFUOPKQPJM-XLIONFOSSA-N 2 1 356.514 3.088 20 30 FGEDMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594440238 507133715 /nfs/dbraw/zinc/13/37/15/507133715.db2.gz ALUUMGGTWDMKEK-SFHVURJKSA-N 2 1 353.470 3.405 20 30 FGEDMP CC(C)(C)[C@]1(C[NH+]2CCN(CC#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000602453574 507713957 /nfs/dbraw/zinc/71/39/57/507713957.db2.gz HYULWPZFQUTDJK-QFIPXVFZSA-N 2 1 354.542 3.066 20 30 FGEDMP CC(C)(C)[C@]1(C[NH+]2CCN(CC#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000602453574 507713965 /nfs/dbraw/zinc/71/39/65/507713965.db2.gz HYULWPZFQUTDJK-QFIPXVFZSA-N 2 1 354.542 3.066 20 30 FGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000602511950 507731677 /nfs/dbraw/zinc/73/16/77/507731677.db2.gz WMCGGOYOPKKPRE-IBGZPJMESA-N 2 1 355.526 3.382 20 30 FGEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602547089 507744476 /nfs/dbraw/zinc/74/44/76/507744476.db2.gz ZCRWEDTYJZXRBV-MRXNPFEDSA-N 2 1 367.472 3.085 20 30 FGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)Cc1ccco1 ZINC000246989909 713634055 /nfs/dbraw/zinc/63/40/55/713634055.db2.gz GNPDAZMVVWASJC-MAUKXSAKSA-N 2 1 360.527 3.431 20 30 FGEDMP C=CC[C@]1(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662678097 720451939 /nfs/dbraw/zinc/45/19/39/720451939.db2.gz BHPLCZWOGRBOLQ-AZUAARDMSA-N 2 1 361.917 3.291 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000843399848 730614832 /nfs/dbraw/zinc/61/48/32/730614832.db2.gz UPARUCLKHWKECG-AEFFLSMTSA-N 2 1 351.535 3.262 20 30 FGEDMP CCC[N@H+](Cc1ccc(C#N)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417551 494890834 /nfs/dbraw/zinc/89/08/34/494890834.db2.gz QSZAWFRSKIMCRN-UHFFFAOYSA-N 2 1 353.470 3.439 20 30 FGEDMP CCC[N@@H+](Cc1ccc(C#N)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417551 494890838 /nfs/dbraw/zinc/89/08/38/494890838.db2.gz QSZAWFRSKIMCRN-UHFFFAOYSA-N 2 1 353.470 3.439 20 30 FGEDMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770042 494919824 /nfs/dbraw/zinc/91/98/24/494919824.db2.gz XXUOOACDKSYLLW-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770042 494919828 /nfs/dbraw/zinc/91/98/28/494919828.db2.gz XXUOOACDKSYLLW-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770042 494919834 /nfs/dbraw/zinc/91/98/34/494919834.db2.gz XXUOOACDKSYLLW-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000093770042 494919838 /nfs/dbraw/zinc/91/98/38/494919838.db2.gz XXUOOACDKSYLLW-GOSISDBHSA-N 2 1 351.498 3.237 20 30 FGEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834625 495044911 /nfs/dbraw/zinc/04/49/11/495044911.db2.gz NFNZLMZNCVBCPU-QHCPKHFHSA-N 2 1 374.532 3.437 20 30 FGEDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113326809 495296290 /nfs/dbraw/zinc/29/62/90/495296290.db2.gz IMSVBAHUJKXXOU-SFHVURJKSA-N 2 1 351.498 3.285 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185662647 495668629 /nfs/dbraw/zinc/66/86/29/495668629.db2.gz HGBLXMSGIUVXKE-RYRKJORJSA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662647 495668634 /nfs/dbraw/zinc/66/86/34/495668634.db2.gz HGBLXMSGIUVXKE-RYRKJORJSA-N 2 1 354.498 3.128 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000173781936 495690367 /nfs/dbraw/zinc/69/03/67/495690367.db2.gz DVZLZNSAOFDXBY-HNNXBMFYSA-N 2 1 362.905 3.204 20 30 FGEDMP CC(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000180047421 495836954 /nfs/dbraw/zinc/83/69/54/495836954.db2.gz XOESHGVLGONONJ-UHFFFAOYSA-N 2 1 351.498 3.169 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000577859018 505807065 /nfs/dbraw/zinc/80/70/65/505807065.db2.gz IAPUGJONGFNTQA-INIZCTEOSA-N 2 1 372.431 3.075 20 30 FGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539236 496036807 /nfs/dbraw/zinc/03/68/07/496036807.db2.gz ZYXZCEKFQMENIS-LVCYWYKZSA-N 2 1 359.514 3.377 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000181502475 496421839 /nfs/dbraw/zinc/42/18/39/496421839.db2.gz MMEFPAZRCGBGNN-OALUTQOASA-N 2 1 354.542 3.233 20 30 FGEDMP CCCC[NH+]1CCC(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181622546 496474432 /nfs/dbraw/zinc/47/44/32/496474432.db2.gz MPEHZGLVLZAPKY-UHFFFAOYSA-N 2 1 354.542 3.377 20 30 FGEDMP CC[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181744890 496525658 /nfs/dbraw/zinc/52/56/58/496525658.db2.gz QPARKVKJRLSUPL-JOCHJYFZSA-N 2 1 354.542 3.377 20 30 FGEDMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000181828779 496562098 /nfs/dbraw/zinc/56/20/98/496562098.db2.gz NQAVMWLQVOTFNJ-FRIKZZABSA-N 3 1 352.526 3.128 20 30 FGEDMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)C2 ZINC000181828779 496562099 /nfs/dbraw/zinc/56/20/99/496562099.db2.gz NQAVMWLQVOTFNJ-FRIKZZABSA-N 2 1 352.526 3.128 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000191501743 496786072 /nfs/dbraw/zinc/78/60/72/496786072.db2.gz UOOYQMJDBAEJHG-UHFFFAOYSA-N 2 1 359.499 3.119 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000191501743 496786076 /nfs/dbraw/zinc/78/60/76/496786076.db2.gz UOOYQMJDBAEJHG-UHFFFAOYSA-N 2 1 359.499 3.119 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000191507616 496790312 /nfs/dbraw/zinc/79/03/12/496790312.db2.gz XCACCXFMLQYTAW-HNNXBMFYSA-N 2 1 371.485 3.266 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000191507616 496790318 /nfs/dbraw/zinc/79/03/18/496790318.db2.gz XCACCXFMLQYTAW-HNNXBMFYSA-N 2 1 371.485 3.266 20 30 FGEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000245569211 497461788 /nfs/dbraw/zinc/46/17/88/497461788.db2.gz VZFCSAZSKVYQRM-QRVBRYPASA-N 2 1 371.525 3.299 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)C[C@H](C)O1 ZINC000267390867 497540431 /nfs/dbraw/zinc/54/04/31/497540431.db2.gz OOOKPNIMFQJGPL-KDURUIRLSA-N 2 1 371.525 3.300 20 30 FGEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246101993 497621853 /nfs/dbraw/zinc/62/18/53/497621853.db2.gz WLZOPDGSOQQPHT-GHTZIAJQSA-N 2 1 362.562 3.017 20 30 FGEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246101993 497621857 /nfs/dbraw/zinc/62/18/57/497621857.db2.gz WLZOPDGSOQQPHT-GHTZIAJQSA-N 2 1 362.562 3.017 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC000569351293 505914358 /nfs/dbraw/zinc/91/43/58/505914358.db2.gz XKJABESVSVRIOC-KKHYBRAUSA-N 2 1 374.525 3.098 20 30 FGEDMP C[C@@H]([NH2+]CC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)COC1)c1ccc(C#N)cc1 ZINC000272874250 497750481 /nfs/dbraw/zinc/75/04/81/497750481.db2.gz BEKVOPJIDBCXRP-QZTJIDSGSA-N 2 1 374.488 3.448 20 30 FGEDMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCCCC#N ZINC000289901033 498344163 /nfs/dbraw/zinc/34/41/63/498344163.db2.gz WSRYCVOULRJGKC-DFNIBXOVSA-N 2 1 357.498 3.435 20 30 FGEDMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OCCCC#N ZINC000289901033 498344173 /nfs/dbraw/zinc/34/41/73/498344173.db2.gz WSRYCVOULRJGKC-DFNIBXOVSA-N 2 1 357.498 3.435 20 30 FGEDMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCCCC#N ZINC000289901033 498344178 /nfs/dbraw/zinc/34/41/78/498344178.db2.gz WSRYCVOULRJGKC-DFNIBXOVSA-N 2 1 357.498 3.435 20 30 FGEDMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCCCC#N ZINC000289901033 498344186 /nfs/dbraw/zinc/34/41/86/498344186.db2.gz WSRYCVOULRJGKC-DFNIBXOVSA-N 2 1 357.498 3.435 20 30 FGEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000303864996 498723442 /nfs/dbraw/zinc/72/34/42/498723442.db2.gz BLUIXDMPZSLICT-HNNXBMFYSA-N 2 1 358.511 3.396 20 30 FGEDMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328777309 498935108 /nfs/dbraw/zinc/93/51/08/498935108.db2.gz DALQJZMHICVYJU-KKSFZXQISA-N 2 1 373.497 3.242 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329458222 499124175 /nfs/dbraw/zinc/12/41/75/499124175.db2.gz QXQSOTOEFSDNEQ-GJZGRUSLSA-N 2 1 359.470 3.246 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329458222 499124177 /nfs/dbraw/zinc/12/41/77/499124177.db2.gz QXQSOTOEFSDNEQ-GJZGRUSLSA-N 2 1 359.470 3.246 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439191 499198974 /nfs/dbraw/zinc/19/89/74/499198974.db2.gz SAQANBNBKNUHSD-UTKZUKDTSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439191 499198976 /nfs/dbraw/zinc/19/89/76/499198976.db2.gz SAQANBNBKNUHSD-UTKZUKDTSA-N 2 1 359.477 3.206 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)CC1 ZINC000371646712 499350085 /nfs/dbraw/zinc/35/00/85/499350085.db2.gz HDJUPCWWQIXOMB-IBGZPJMESA-N 2 1 373.545 3.221 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340927 499393402 /nfs/dbraw/zinc/39/34/02/499393402.db2.gz BFJCEVKJQXHHEI-QIJUGHKUSA-N 2 1 371.525 3.348 20 30 FGEDMP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000369341716 499393407 /nfs/dbraw/zinc/39/34/07/499393407.db2.gz GBSQMDNUAVKWOG-STZQEDGTSA-N 2 1 356.510 3.068 20 30 FGEDMP C[N@@H+](Cc1cccn1Cc1ccccc1C#N)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862761 499743181 /nfs/dbraw/zinc/74/31/81/499743181.db2.gz YTVIYYDLUPRHLD-GOSISDBHSA-N 2 1 359.477 3.299 20 30 FGEDMP C[N@H+](Cc1cccn1Cc1ccccc1C#N)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862761 499743182 /nfs/dbraw/zinc/74/31/82/499743182.db2.gz YTVIYYDLUPRHLD-GOSISDBHSA-N 2 1 359.477 3.299 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)[C@H](c2ccccc2)C1 ZINC000421321613 500017120 /nfs/dbraw/zinc/01/71/20/500017120.db2.gz CBJLBQYCXZVWRJ-QFIPXVFZSA-N 2 1 366.484 3.166 20 30 FGEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564359 506187865 /nfs/dbraw/zinc/18/78/65/506187865.db2.gz IIKSTRMTAYSITE-OAQYLSRUSA-N 2 1 374.573 3.117 20 30 FGEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564359 506187871 /nfs/dbraw/zinc/18/78/71/506187871.db2.gz IIKSTRMTAYSITE-OAQYLSRUSA-N 2 1 374.573 3.117 20 30 FGEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564359 506187876 /nfs/dbraw/zinc/18/78/76/506187876.db2.gz IIKSTRMTAYSITE-OAQYLSRUSA-N 2 1 374.573 3.117 20 30 FGEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564359 506187879 /nfs/dbraw/zinc/18/78/79/506187879.db2.gz IIKSTRMTAYSITE-OAQYLSRUSA-N 2 1 374.573 3.117 20 30 FGEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428220550 500483534 /nfs/dbraw/zinc/48/35/34/500483534.db2.gz IEQAPGIUKVDBEJ-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc(F)c3C#N)CC2)C[C@H](C)O1 ZINC000428220550 500483537 /nfs/dbraw/zinc/48/35/37/500483537.db2.gz IEQAPGIUKVDBEJ-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C=CCOc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428432391 500509205 /nfs/dbraw/zinc/50/92/05/500509205.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 1 366.505 3.320 20 30 FGEDMP C=CCOc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000428432391 500509208 /nfs/dbraw/zinc/50/92/08/500509208.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 1 366.505 3.320 20 30 FGEDMP C=CCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000428432391 500509210 /nfs/dbraw/zinc/50/92/10/500509210.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 1 366.505 3.320 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000482134734 501985751 /nfs/dbraw/zinc/98/57/51/501985751.db2.gz MFIFCZJFKDOQGN-KPFFTGBYSA-N 2 1 356.514 3.375 20 30 FGEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511874592 503405274 /nfs/dbraw/zinc/40/52/74/503405274.db2.gz NBXJBLBHEVGMCE-HXUWFJFHSA-N 2 1 362.521 3.369 20 30 FGEDMP C[NH+](C)CC1CC[NH+](CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000532921305 503656578 /nfs/dbraw/zinc/65/65/78/503656578.db2.gz UQSUPLSDCGUHGX-UHFFFAOYSA-N 2 1 352.482 3.011 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000517997770 503884386 /nfs/dbraw/zinc/88/43/86/503884386.db2.gz OXWSSIWTUDLZSG-RXVVDRJESA-N 2 1 370.541 3.162 20 30 FGEDMP C=C[C@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000534694699 504216757 /nfs/dbraw/zinc/21/67/57/504216757.db2.gz DHXYVSWYDJNUAJ-TZIWHRDSSA-N 2 1 357.542 3.221 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C(C)C ZINC000520201300 504434181 /nfs/dbraw/zinc/43/41/81/504434181.db2.gz IVDOILGXSZCARB-LJQANCHMSA-N 2 1 364.578 3.201 20 30 FGEDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000539497930 504590061 /nfs/dbraw/zinc/59/00/61/504590061.db2.gz AAYSVGFMNOTMOB-APWZRJJASA-N 2 1 354.523 3.259 20 30 FGEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000560523858 505113470 /nfs/dbraw/zinc/11/34/70/505113470.db2.gz FTZHELOGWPAMEK-UMGGQSCQSA-N 2 1 356.489 3.129 20 30 FGEDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440525 507133692 /nfs/dbraw/zinc/13/36/92/507133692.db2.gz DWDLYFUOPKQPJM-PXNSSMCTSA-N 2 1 356.514 3.088 20 30 FGEDMP C[NH+]=C(NCc1cc(F)ccc1SC)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262772100 713729235 /nfs/dbraw/zinc/72/92/35/713729235.db2.gz IZHPFASVOSUSBB-ALOPSCKCSA-N 2 1 364.534 3.228 20 30 FGEDMP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938510 766576689 /nfs/dbraw/zinc/57/66/89/766576689.db2.gz DJHPJTFHVQURQA-NLWGTHIKSA-N 2 1 367.965 3.174 20 30 FGEDMP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938510 766576691 /nfs/dbraw/zinc/57/66/91/766576691.db2.gz DJHPJTFHVQURQA-NLWGTHIKSA-N 2 1 367.965 3.174 20 30 FGEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938510 766576695 /nfs/dbraw/zinc/57/66/95/766576695.db2.gz DJHPJTFHVQURQA-NLWGTHIKSA-N 2 1 367.965 3.174 20 30 FGEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000121081516 494585415 /nfs/dbraw/zinc/58/54/15/494585415.db2.gz BOOAWOBIXQCEFL-SFTDATJTSA-N 2 1 355.526 3.218 20 30 FGEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834186 495045142 /nfs/dbraw/zinc/04/51/42/495045142.db2.gz UOJPWSMCCWKKLN-LJQANCHMSA-N 2 1 368.525 3.475 20 30 FGEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699747 496508778 /nfs/dbraw/zinc/50/87/78/496508778.db2.gz RSAQJQUVVPBRDO-NRFANRHFSA-N 2 1 354.542 3.233 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665263 497492174 /nfs/dbraw/zinc/49/21/74/497492174.db2.gz GUEAVWOMMPJAIM-CXAGYDPISA-N 2 1 361.852 3.294 20 30 FGEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209161 497661449 /nfs/dbraw/zinc/66/14/49/497661449.db2.gz PFCKZPHXXJZSNP-JXFKEZNVSA-N 2 1 365.506 3.440 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)N(C)CCC#N ZINC000246541045 497768507 /nfs/dbraw/zinc/76/85/07/497768507.db2.gz IASDKRWVTKEUID-CEXWTWQISA-N 2 1 370.541 3.015 20 30 FGEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996282 498227338 /nfs/dbraw/zinc/22/73/38/498227338.db2.gz OLDDESHXHJLEJN-DENIHFKCSA-N 2 1 368.525 3.048 20 30 FGEDMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472003 499203087 /nfs/dbraw/zinc/20/30/87/499203087.db2.gz AWBBGEHZRPWOHM-AABGKKOBSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472003 499203088 /nfs/dbraw/zinc/20/30/88/499203088.db2.gz AWBBGEHZRPWOHM-AABGKKOBSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472003 499203090 /nfs/dbraw/zinc/20/30/90/499203090.db2.gz AWBBGEHZRPWOHM-AABGKKOBSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472003 499203092 /nfs/dbraw/zinc/20/30/92/499203092.db2.gz AWBBGEHZRPWOHM-AABGKKOBSA-N 2 1 369.509 3.294 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)CC1 ZINC000371646713 499350154 /nfs/dbraw/zinc/35/01/54/499350154.db2.gz HDJUPCWWQIXOMB-LJQANCHMSA-N 2 1 373.545 3.221 20 30 FGEDMP CN(CCC#N)c1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000372413306 499432036 /nfs/dbraw/zinc/43/20/36/499432036.db2.gz JUAAGAXZXQWDPK-UHFFFAOYSA-N 2 1 370.541 3.112 20 30 FGEDMP N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000596058100 506233158 /nfs/dbraw/zinc/23/31/58/506233158.db2.gz CUCPFRQQSYRPLM-JOCHJYFZSA-N 2 1 366.553 3.234 20 30 FGEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000602677998 506259044 /nfs/dbraw/zinc/25/90/44/506259044.db2.gz ZAMXJNYAKMTOBE-TZIWHRDSSA-N 2 1 355.526 3.445 20 30 FGEDMP N#CCc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512438412 503551683 /nfs/dbraw/zinc/55/16/83/503551683.db2.gz DXUANVRHECYJIU-XMMPIXPASA-N 2 1 374.532 3.145 20 30 FGEDMP N#CCc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512438412 503551684 /nfs/dbraw/zinc/55/16/84/503551684.db2.gz DXUANVRHECYJIU-XMMPIXPASA-N 2 1 374.532 3.145 20 30 FGEDMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471080 504150615 /nfs/dbraw/zinc/15/06/15/504150615.db2.gz SYLOETABLKRVAA-IBGZPJMESA-N 2 1 373.460 3.320 20 30 FGEDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000542468987 504502963 /nfs/dbraw/zinc/50/29/63/504502963.db2.gz YIQYYKJQIZIPGG-UHFFFAOYSA-N 2 1 372.476 3.160 20 30 FGEDMP CCN1CCC([N@H+]2CCCN(c3nc(C(C)(C)C)ccc3C#N)CC2)CC1 ZINC000591464358 507259998 /nfs/dbraw/zinc/25/99/98/507259998.db2.gz XNBBSVOUECYCKV-UHFFFAOYSA-N 2 1 369.557 3.247 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598730341 507570886 /nfs/dbraw/zinc/57/08/86/507570886.db2.gz UCLFRRCICGNCMI-WOJBJXKFSA-N 2 1 355.526 3.179 20 30 FGEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000303902562 713790181 /nfs/dbraw/zinc/79/01/81/713790181.db2.gz XXFVCAUYRJCUIM-CYBMUJFWSA-N 2 1 358.408 3.432 20 30 FGEDMP C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000625705126 715776825 /nfs/dbraw/zinc/77/68/25/715776825.db2.gz SDEUMUGSBWUTKT-KRWDZBQOSA-N 2 1 359.539 3.072 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3csc(C#N)c3)C2)ccn1 ZINC000895501620 742420256 /nfs/dbraw/zinc/42/02/56/742420256.db2.gz ZIOWVKZYDUCLRY-SFHVURJKSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(C#N)c3)C2)ccn1 ZINC000895501620 742420259 /nfs/dbraw/zinc/42/02/59/742420259.db2.gz ZIOWVKZYDUCLRY-SFHVURJKSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3csc(C#N)c3)C2)ccn1 ZINC000895501620 742420262 /nfs/dbraw/zinc/42/02/62/742420262.db2.gz ZIOWVKZYDUCLRY-SFHVURJKSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3csc(C#N)c3)C2)ccn1 ZINC000895501620 742420268 /nfs/dbraw/zinc/42/02/68/742420268.db2.gz ZIOWVKZYDUCLRY-SFHVURJKSA-N 2 1 356.495 3.120 20 30 FGEDMP C=C(Cl)C[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133839 766292396 /nfs/dbraw/zinc/29/23/96/766292396.db2.gz WLCKIWADGBTZEF-GBESFXJTSA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133839 766292402 /nfs/dbraw/zinc/29/24/02/766292402.db2.gz WLCKIWADGBTZEF-GBESFXJTSA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133839 766292408 /nfs/dbraw/zinc/29/24/08/766292408.db2.gz WLCKIWADGBTZEF-GBESFXJTSA-N 2 1 367.965 3.030 20 30 FGEDMP N#Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000122161372 494933958 /nfs/dbraw/zinc/93/39/58/494933958.db2.gz UMWUMSHIUAABPP-UHFFFAOYSA-N 2 1 354.498 3.085 20 30 FGEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694879 495683233 /nfs/dbraw/zinc/68/32/33/495683233.db2.gz LMLQPQVGJBTMRD-WMZOPIPTSA-N 2 1 357.498 3.188 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000159212838 495684896 /nfs/dbraw/zinc/68/48/96/495684896.db2.gz HAEOBMPUQALOBW-UHFFFAOYSA-N 2 1 367.497 3.077 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000159212838 495684900 /nfs/dbraw/zinc/68/49/00/495684900.db2.gz HAEOBMPUQALOBW-UHFFFAOYSA-N 2 1 367.497 3.077 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180034938 495831688 /nfs/dbraw/zinc/83/16/88/495831688.db2.gz KOSAHXLWUQUOSK-KRWDZBQOSA-N 2 1 351.498 3.313 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180034938 495831690 /nfs/dbraw/zinc/83/16/90/495831690.db2.gz KOSAHXLWUQUOSK-KRWDZBQOSA-N 2 1 351.498 3.313 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053469 495838499 /nfs/dbraw/zinc/83/84/99/495838499.db2.gz VYQJMKYXNYFORN-HDICACEKSA-N 2 1 365.525 3.416 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180053469 495838505 /nfs/dbraw/zinc/83/85/05/495838505.db2.gz VYQJMKYXNYFORN-HDICACEKSA-N 2 1 365.525 3.416 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000183154159 495857641 /nfs/dbraw/zinc/85/76/41/495857641.db2.gz OAUQZMJXZABSLZ-CYBMUJFWSA-N 2 1 365.462 3.403 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000171637520 495959248 /nfs/dbraw/zinc/95/92/48/495959248.db2.gz PWJUVQMKSMEAQR-UHFFFAOYSA-N 2 1 374.554 3.007 20 30 FGEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000156038779 496140522 /nfs/dbraw/zinc/14/05/22/496140522.db2.gz SUXUEOMVPPOXQS-HSZRJFAPSA-N 2 1 363.505 3.436 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000267283408 497516004 /nfs/dbraw/zinc/51/60/04/497516004.db2.gz VSFXEWLWTSTKDF-DENIHFKCSA-N 2 1 357.542 3.079 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[N@H+]3CCCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000328753439 498926884 /nfs/dbraw/zinc/92/68/84/498926884.db2.gz DIBHCDKFZGEMQQ-MRXNPFEDSA-N 2 1 359.518 3.283 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[N@@H+]3CCCC[C@H]3C)CC2)nc(C)[nH+]1 ZINC000328753439 498926889 /nfs/dbraw/zinc/92/68/89/498926889.db2.gz DIBHCDKFZGEMQQ-MRXNPFEDSA-N 2 1 359.518 3.283 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000328754653 498927962 /nfs/dbraw/zinc/92/79/62/498927962.db2.gz DVMLGAYXWOIYHR-KRWDZBQOSA-N 2 1 359.514 3.496 20 30 FGEDMP C=CCC[C@H](NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccco1 ZINC000367617595 499218392 /nfs/dbraw/zinc/21/83/92/499218392.db2.gz QUSMRGUGKCCBCS-IBGZPJMESA-N 2 1 371.529 3.261 20 30 FGEDMP C=CCC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccco1 ZINC000367617595 499218394 /nfs/dbraw/zinc/21/83/94/499218394.db2.gz QUSMRGUGKCCBCS-IBGZPJMESA-N 2 1 371.529 3.261 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000371155299 499294005 /nfs/dbraw/zinc/29/40/05/499294005.db2.gz HBSHDYDMVIFINC-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000371155299 499294007 /nfs/dbraw/zinc/29/40/07/499294007.db2.gz HBSHDYDMVIFINC-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2sccc2C#N)C1=O ZINC000411553076 499754047 /nfs/dbraw/zinc/75/40/47/499754047.db2.gz QOKMEAUKFRSLBL-BZSNNMDCSA-N 2 1 374.554 3.215 20 30 FGEDMP CC[NH+]1CCC([N@@H+]2CCCN(CC#Cc3ccccc3Cl)CC2)CC1 ZINC000420978148 500546173 /nfs/dbraw/zinc/54/61/73/500546173.db2.gz IZBXXBJLTXZABR-UHFFFAOYSA-N 2 1 359.945 3.184 20 30 FGEDMP CC[NH+]1CCC([N@H+]2CCCN(CC#Cc3ccccc3Cl)CC2)CC1 ZINC000420978148 500546175 /nfs/dbraw/zinc/54/61/75/500546175.db2.gz IZBXXBJLTXZABR-UHFFFAOYSA-N 2 1 359.945 3.184 20 30 FGEDMP C=CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000460381302 501810262 /nfs/dbraw/zinc/81/02/62/501810262.db2.gz QXJQOIXUJIGPTR-NRFANRHFSA-N 2 1 351.494 3.094 20 30 FGEDMP C=CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000460381302 501810267 /nfs/dbraw/zinc/81/02/67/501810267.db2.gz QXJQOIXUJIGPTR-NRFANRHFSA-N 2 1 351.494 3.094 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000596148051 506279711 /nfs/dbraw/zinc/27/97/11/506279711.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000596148051 506279716 /nfs/dbraw/zinc/27/97/16/506279716.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000596148051 506279720 /nfs/dbraw/zinc/27/97/20/506279720.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000596148051 506279724 /nfs/dbraw/zinc/27/97/24/506279724.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@H](C)C2)[nH+]1 ZINC000596148051 506279729 /nfs/dbraw/zinc/27/97/29/506279729.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]1 ZINC000596148051 506279733 /nfs/dbraw/zinc/27/97/33/506279733.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]1 ZINC000596148051 506279738 /nfs/dbraw/zinc/27/97/38/506279738.db2.gz YRAJCWNPSCLAAS-TVFCKZIOSA-N 3 1 370.545 3.051 20 30 FGEDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000482168871 501995882 /nfs/dbraw/zinc/99/58/82/501995882.db2.gz YDQXGRMSUQWFTE-RTBURBONSA-N 2 1 362.562 3.161 20 30 FGEDMP COC(=O)c1cccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C#N ZINC000534473120 504152269 /nfs/dbraw/zinc/15/22/69/504152269.db2.gz SECVFOOIEUSQAL-UHFFFAOYSA-N 2 1 369.509 3.433 20 30 FGEDMP CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440447 507133740 /nfs/dbraw/zinc/13/37/40/507133740.db2.gz CKFDBQXIBXNWHT-SFTDATJTSA-N 2 1 370.541 3.301 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)C1 ZINC000594440979 507134742 /nfs/dbraw/zinc/13/47/42/507134742.db2.gz KIPPFECLZNSZIJ-LVCYWYKZSA-N 2 1 370.541 3.192 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594783 507510847 /nfs/dbraw/zinc/51/08/47/507510847.db2.gz JSSFSHBMYHRXTG-RBBKRZOGSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000598594783 507510854 /nfs/dbraw/zinc/51/08/54/507510854.db2.gz JSSFSHBMYHRXTG-RBBKRZOGSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000598594783 507510863 /nfs/dbraw/zinc/51/08/63/507510863.db2.gz JSSFSHBMYHRXTG-RBBKRZOGSA-N 2 1 355.526 3.275 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896733 507732066 /nfs/dbraw/zinc/73/20/66/507732066.db2.gz WKLZREBTHCDWFC-XYJFISCASA-N 2 1 367.415 3.295 20 30 FGEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303988910 713791038 /nfs/dbraw/zinc/79/10/38/713791038.db2.gz WYJXEYSWHRKFOI-TZMCWYRMSA-N 2 1 373.328 3.070 20 30 FGEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1cccs1 ZINC000304807240 713792164 /nfs/dbraw/zinc/79/21/64/713792164.db2.gz SXAOBNQQPIXDAV-RHSMWYFYSA-N 2 1 362.568 3.340 20 30 FGEDMP C=CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1OC ZINC000623378050 715320910 /nfs/dbraw/zinc/32/09/10/715320910.db2.gz QOMCMBJVGZVYEW-UHFFFAOYSA-N 2 1 368.905 3.114 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819023117 727339384 /nfs/dbraw/zinc/33/93/84/727339384.db2.gz AXDFZGSAKHJMOT-QGZVFWFLSA-N 2 1 353.304 3.113 20 30 FGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000819101270 727347609 /nfs/dbraw/zinc/34/76/09/727347609.db2.gz QCFLOXWRPKVECA-HBFSDRIKSA-N 2 1 355.507 3.326 20 30 FGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000819101270 727347610 /nfs/dbraw/zinc/34/76/10/727347610.db2.gz QCFLOXWRPKVECA-HBFSDRIKSA-N 2 1 355.507 3.326 20 30 FGEDMP N#CCCn1cc(C[NH2+]CCC[NH+]2CCCCC2)c(-c2ccccc2)n1 ZINC000066236542 494293001 /nfs/dbraw/zinc/29/30/01/494293001.db2.gz QNYJLKHVKGUVCF-UHFFFAOYSA-N 2 1 351.498 3.429 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000066960821 494446266 /nfs/dbraw/zinc/44/62/66/494446266.db2.gz UFTIOVXOCMPEGC-GOSISDBHSA-N 2 1 362.562 3.161 20 30 FGEDMP CC[NH+](CC)CCOC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000075007578 494671700 /nfs/dbraw/zinc/67/17/00/494671700.db2.gz KUKPVKVFEVSUGR-UHFFFAOYSA-N 2 1 354.498 3.134 20 30 FGEDMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000116396300 494772662 /nfs/dbraw/zinc/77/26/62/494772662.db2.gz IYCVBAXZDAETHE-SUMWQHHRSA-N 2 1 364.921 3.495 20 30 FGEDMP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@H]1CCCC[NH+]1C ZINC000173638190 495626958 /nfs/dbraw/zinc/62/69/58/495626958.db2.gz FBMLZUFPLIJQSH-OAHLLOKOSA-N 2 1 374.554 3.243 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@H]1CCCC[N@@H+]1C ZINC000173638190 495626966 /nfs/dbraw/zinc/62/69/66/495626966.db2.gz FBMLZUFPLIJQSH-OAHLLOKOSA-N 2 1 374.554 3.243 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@H]1CCCC[N@H+]1C ZINC000173638190 495626970 /nfs/dbraw/zinc/62/69/70/495626970.db2.gz FBMLZUFPLIJQSH-OAHLLOKOSA-N 2 1 374.554 3.243 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719269 495696364 /nfs/dbraw/zinc/69/63/64/495696364.db2.gz FEUYMSYMMSCAMW-HOCLYGCPSA-N 2 1 360.527 3.191 20 30 FGEDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215360 495910499 /nfs/dbraw/zinc/91/04/99/495910499.db2.gz WHBFUGABJSLPGI-GOSISDBHSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215360 495910505 /nfs/dbraw/zinc/91/05/05/495910505.db2.gz WHBFUGABJSLPGI-GOSISDBHSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215360 495910508 /nfs/dbraw/zinc/91/05/08/495910508.db2.gz WHBFUGABJSLPGI-GOSISDBHSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215360 495910516 /nfs/dbraw/zinc/91/05/16/495910516.db2.gz WHBFUGABJSLPGI-GOSISDBHSA-N 2 1 351.498 3.122 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180215360 495910520 /nfs/dbraw/zinc/91/05/20/495910520.db2.gz WHBFUGABJSLPGI-GOSISDBHSA-N 2 1 351.498 3.122 20 30 FGEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152393965 496137304 /nfs/dbraw/zinc/13/73/04/496137304.db2.gz XPOSXOKMQTVLGB-WOJBJXKFSA-N 2 1 370.541 3.212 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000177684506 496159032 /nfs/dbraw/zinc/15/90/32/496159032.db2.gz YSBCSQCDVCZLKE-FQEVSTJZSA-N 2 1 354.523 3.088 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611972 497056563 /nfs/dbraw/zinc/05/65/63/497056563.db2.gz XTWLDCOXAHCGTN-CZTZKLFOSA-N 2 1 372.553 3.397 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000271931557 497490583 /nfs/dbraw/zinc/49/05/83/497490583.db2.gz LDVUKUUWHKPLSW-MRXNPFEDSA-N 2 1 353.441 3.380 20 30 FGEDMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652610 506020704 /nfs/dbraw/zinc/02/07/04/506020704.db2.gz HPSDEWSLJVDMMV-VQTJNVASSA-N 2 1 366.534 3.185 20 30 FGEDMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290581929 498607575 /nfs/dbraw/zinc/60/75/75/498607575.db2.gz UPPWTXBAKKEHMY-UHFFFAOYSA-N 2 1 354.502 3.022 20 30 FGEDMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000290581929 498607579 /nfs/dbraw/zinc/60/75/79/498607579.db2.gz UPPWTXBAKKEHMY-UHFFFAOYSA-N 2 1 354.502 3.022 20 30 FGEDMP C=C(Br)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370190359 499195444 /nfs/dbraw/zinc/19/54/44/499195444.db2.gz FXBNRQWKHRIZHQ-UHFFFAOYSA-N 2 1 358.368 3.023 20 30 FGEDMP C=C(Br)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370190359 499195446 /nfs/dbraw/zinc/19/54/46/499195446.db2.gz FXBNRQWKHRIZHQ-UHFFFAOYSA-N 2 1 358.368 3.023 20 30 FGEDMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1OCCCC#N ZINC000367472004 499203189 /nfs/dbraw/zinc/20/31/89/499203189.db2.gz AWBBGEHZRPWOHM-AQNXPRMDSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1OCCCC#N ZINC000367472004 499203190 /nfs/dbraw/zinc/20/31/90/499203190.db2.gz AWBBGEHZRPWOHM-AQNXPRMDSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1OCCCC#N ZINC000367472004 499203191 /nfs/dbraw/zinc/20/31/91/499203191.db2.gz AWBBGEHZRPWOHM-AQNXPRMDSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1OCCCC#N ZINC000367472004 499203192 /nfs/dbraw/zinc/20/31/92/499203192.db2.gz AWBBGEHZRPWOHM-AQNXPRMDSA-N 2 1 369.509 3.294 20 30 FGEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccc(C#N)cc1)CC2)C1CC1 ZINC000371321556 499310021 /nfs/dbraw/zinc/31/00/21/499310021.db2.gz QZBWZZKCJAUOBP-SFHVURJKSA-N 2 1 366.509 3.083 20 30 FGEDMP C[N@H+]1CCC[C@H](CNCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000375487312 499525115 /nfs/dbraw/zinc/52/51/15/499525115.db2.gz ZZLZUSUZRDELEI-DENIHFKCSA-N 2 1 362.477 3.169 20 30 FGEDMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C#N)c1 ZINC000376163176 499587838 /nfs/dbraw/zinc/58/78/38/499587838.db2.gz ASJAEXZOWYYKGY-SFHVURJKSA-N 3 1 354.542 3.405 20 30 FGEDMP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377407932 499687885 /nfs/dbraw/zinc/68/78/85/499687885.db2.gz CTDMVUCMINCBHD-PXNSSMCTSA-N 2 1 359.477 3.206 20 30 FGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421334758 500019662 /nfs/dbraw/zinc/01/96/62/500019662.db2.gz QQOVJBBYQHFZMY-UHFFFAOYSA-N 2 1 366.484 3.125 20 30 FGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421332878 500019935 /nfs/dbraw/zinc/01/99/35/500019935.db2.gz MMXITRPYIDHQQD-UHFFFAOYSA-N 2 1 366.484 3.125 20 30 FGEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1F ZINC000431840439 500432002 /nfs/dbraw/zinc/43/20/02/500432002.db2.gz NIUQKHRYHJBVAI-UHFFFAOYSA-N 2 1 358.505 3.330 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503076403 503342965 /nfs/dbraw/zinc/34/29/65/503342965.db2.gz UGZQPHRREJHSQK-MRXNPFEDSA-N 2 1 360.527 3.178 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503076403 503342971 /nfs/dbraw/zinc/34/29/71/503342971.db2.gz UGZQPHRREJHSQK-MRXNPFEDSA-N 2 1 360.527 3.178 20 30 FGEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)cc(C#N)c3)CC2)CC1 ZINC000563404902 505134156 /nfs/dbraw/zinc/13/41/56/505134156.db2.gz BUFVWYYRWGYWAP-UHFFFAOYSA-N 2 1 354.498 3.002 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562061277 505507314 /nfs/dbraw/zinc/50/73/14/505507314.db2.gz IYTAMNSAAIIAGH-NNWRFLSQSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562061277 505507318 /nfs/dbraw/zinc/50/73/18/505507318.db2.gz IYTAMNSAAIIAGH-NNWRFLSQSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562061277 505507321 /nfs/dbraw/zinc/50/73/21/505507321.db2.gz IYTAMNSAAIIAGH-NNWRFLSQSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562061277 505507323 /nfs/dbraw/zinc/50/73/23/505507323.db2.gz IYTAMNSAAIIAGH-NNWRFLSQSA-N 2 1 369.553 3.253 20 30 FGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598718439 507566686 /nfs/dbraw/zinc/56/66/86/507566686.db2.gz FFMJHWSUHKOYTM-IBGZPJMESA-N 2 1 355.482 3.302 20 30 FGEDMP C[C@H](NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000262475805 713726351 /nfs/dbraw/zinc/72/63/51/713726351.db2.gz PSJKNLLJPAOUNI-JQWIXIFHSA-N 2 1 352.269 3.170 20 30 FGEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000849025641 731224068 /nfs/dbraw/zinc/22/40/68/731224068.db2.gz YLCYICSHTJVSPE-QGZVFWFLSA-N 2 1 360.527 3.479 20 30 FGEDMP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000570792784 505581739 /nfs/dbraw/zinc/58/17/39/505581739.db2.gz SRLFSQFCNRVLEN-AOMIVXANSA-N 2 1 352.526 3.132 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094951 493831652 /nfs/dbraw/zinc/83/16/52/493831652.db2.gz CESJQWQWRMTMAZ-KDOFPFPSSA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094951 493831653 /nfs/dbraw/zinc/83/16/53/493831653.db2.gz CESJQWQWRMTMAZ-KDOFPFPSSA-N 2 1 362.905 3.202 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000081094951 493831654 /nfs/dbraw/zinc/83/16/54/493831654.db2.gz CESJQWQWRMTMAZ-KDOFPFPSSA-N 2 1 362.905 3.202 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000577215726 505689969 /nfs/dbraw/zinc/68/99/69/505689969.db2.gz LBDNHQCYVOZNKC-IRLDBZIGSA-N 2 1 358.526 3.072 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000086394685 494152635 /nfs/dbraw/zinc/15/26/35/494152635.db2.gz AVYBLXFMZRZVFH-MRXNPFEDSA-N 2 1 367.497 3.191 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000074319570 494518605 /nfs/dbraw/zinc/51/86/05/494518605.db2.gz CDMFXBKBOPMEKP-UHFFFAOYSA-N 2 1 356.514 3.331 20 30 FGEDMP CN(CCC#N)c1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000121791458 494861079 /nfs/dbraw/zinc/86/10/79/494861079.db2.gz SASGKOQFFALNCF-UHFFFAOYSA-N 2 1 351.498 3.225 20 30 FGEDMP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113513734 495308143 /nfs/dbraw/zinc/30/81/43/495308143.db2.gz HIBDQXDTLUCHLN-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000113513734 495308146 /nfs/dbraw/zinc/30/81/46/495308146.db2.gz HIBDQXDTLUCHLN-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP COc1cc(C#N)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130103370 495342263 /nfs/dbraw/zinc/34/22/63/495342263.db2.gz RQFNVWWDJHSFGU-UHFFFAOYSA-N 2 1 350.466 3.310 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130952091 495471234 /nfs/dbraw/zinc/47/12/34/495471234.db2.gz XLKWFYDUPZPNBN-UHFFFAOYSA-N 2 1 358.511 3.430 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130952091 495471236 /nfs/dbraw/zinc/47/12/36/495471236.db2.gz XLKWFYDUPZPNBN-UHFFFAOYSA-N 2 1 358.511 3.430 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712869 495692924 /nfs/dbraw/zinc/69/29/24/495692924.db2.gz ICVVGFHSBWSBKP-HOCLYGCPSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712869 495692930 /nfs/dbraw/zinc/69/29/30/495692930.db2.gz ICVVGFHSBWSBKP-HOCLYGCPSA-N 2 1 374.916 3.393 20 30 FGEDMP Cn1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198331 495902189 /nfs/dbraw/zinc/90/21/89/495902189.db2.gz FSQTVMCWFHPLFZ-FQEVSTJZSA-N 2 1 351.498 3.265 20 30 FGEDMP Cn1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198331 495902195 /nfs/dbraw/zinc/90/21/95/495902195.db2.gz FSQTVMCWFHPLFZ-FQEVSTJZSA-N 2 1 351.498 3.265 20 30 FGEDMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198331 495902202 /nfs/dbraw/zinc/90/22/02/495902202.db2.gz FSQTVMCWFHPLFZ-FQEVSTJZSA-N 2 1 351.498 3.265 20 30 FGEDMP Cn1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198331 495902207 /nfs/dbraw/zinc/90/22/07/495902207.db2.gz FSQTVMCWFHPLFZ-FQEVSTJZSA-N 2 1 351.498 3.265 20 30 FGEDMP CC1(C)CC(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000181414181 496385556 /nfs/dbraw/zinc/38/55/56/496385556.db2.gz FYFJAGOYZLAPFS-UHFFFAOYSA-N 2 1 354.542 3.421 20 30 FGEDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(OCC#N)cc3)CC2)nc(C)[nH+]1 ZINC000181862431 496576703 /nfs/dbraw/zinc/57/67/03/496576703.db2.gz OMUMSLITRQICMP-INIZCTEOSA-N 2 1 365.481 3.315 20 30 FGEDMP C=CCOc1c(Br)cc(CNC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000237242376 497209335 /nfs/dbraw/zinc/20/93/35/497209335.db2.gz ULZSFIVAVFVJNO-AWEZNQCLSA-N 2 1 369.303 3.206 20 30 FGEDMP COc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C#N ZINC000278856208 497245482 /nfs/dbraw/zinc/24/54/82/497245482.db2.gz KSUQREPFHCJHDI-UHFFFAOYSA-N 2 1 350.466 3.479 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(/C=C/C)cc2OC)CC1 ZINC000569351296 505914810 /nfs/dbraw/zinc/91/48/10/505914810.db2.gz XKJABESVSVRIOC-XJDXJNMNSA-N 2 1 374.525 3.098 20 30 FGEDMP CC[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCc2ccccc2C1 ZINC000263227083 497737608 /nfs/dbraw/zinc/73/76/08/497737608.db2.gz GTYXCIGKIIPXJH-UHFFFAOYSA-N 2 1 374.492 3.100 20 30 FGEDMP CC(C)[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000330237919 498075056 /nfs/dbraw/zinc/07/50/56/498075056.db2.gz ZQYVFDTYCVQIBM-UHFFFAOYSA-N 2 1 363.412 3.382 20 30 FGEDMP C[N@H+](CCC[NH+]1CCCC1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000281373539 498126149 /nfs/dbraw/zinc/12/61/49/498126149.db2.gz VTHMKUZCVQTHJM-UHFFFAOYSA-N 2 1 351.498 3.381 20 30 FGEDMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000281373539 498126153 /nfs/dbraw/zinc/12/61/53/498126153.db2.gz VTHMKUZCVQTHJM-UHFFFAOYSA-N 2 1 351.498 3.381 20 30 FGEDMP C[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000360094966 498246507 /nfs/dbraw/zinc/24/65/07/498246507.db2.gz BSMYQZILWLVQMP-DNVCBOLYSA-N 2 1 351.479 3.050 20 30 FGEDMP CCC[N@@H+](Cc1cc(C#N)n(C)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000365246336 498372291 /nfs/dbraw/zinc/37/22/91/498372291.db2.gz ZBWZJPNDYDOALC-UHFFFAOYSA-N 2 1 366.513 3.185 20 30 FGEDMP CCC[N@H+](Cc1cc(C#N)n(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365246336 498372295 /nfs/dbraw/zinc/37/22/95/498372295.db2.gz ZBWZJPNDYDOALC-UHFFFAOYSA-N 2 1 366.513 3.185 20 30 FGEDMP CCC[N@@H+](Cc1cc(C#N)n(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365246336 498372300 /nfs/dbraw/zinc/37/23/00/498372300.db2.gz ZBWZJPNDYDOALC-UHFFFAOYSA-N 2 1 366.513 3.185 20 30 FGEDMP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1ccnc1 ZINC000329164355 499060424 /nfs/dbraw/zinc/06/04/24/499060424.db2.gz GUJWIZXAYKODIT-DOTOQJQBSA-N 2 1 370.453 3.216 20 30 FGEDMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1ccnc1 ZINC000329164355 499060426 /nfs/dbraw/zinc/06/04/26/499060426.db2.gz GUJWIZXAYKODIT-DOTOQJQBSA-N 2 1 370.453 3.216 20 30 FGEDMP CC(C)(C#N)CCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367226625 499164593 /nfs/dbraw/zinc/16/45/93/499164593.db2.gz XEEBPESJCZUYEE-NRFANRHFSA-N 2 1 354.542 3.208 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]C2CC[NH2+]CC2)cc1OCC ZINC000414779783 499830160 /nfs/dbraw/zinc/83/01/60/499830160.db2.gz ARGYFTDHBMDJLV-UHFFFAOYSA-N 2 1 369.303 3.254 20 30 FGEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564358 506187774 /nfs/dbraw/zinc/18/77/74/506187774.db2.gz IIKSTRMTAYSITE-NRFANRHFSA-N 2 1 374.573 3.117 20 30 FGEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564358 506187777 /nfs/dbraw/zinc/18/77/77/506187777.db2.gz IIKSTRMTAYSITE-NRFANRHFSA-N 2 1 374.573 3.117 20 30 FGEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564358 506187779 /nfs/dbraw/zinc/18/77/79/506187779.db2.gz IIKSTRMTAYSITE-NRFANRHFSA-N 2 1 374.573 3.117 20 30 FGEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCC3(C#N)CCCCC3)C2)CC1 ZINC000576564358 506187784 /nfs/dbraw/zinc/18/77/84/506187784.db2.gz IIKSTRMTAYSITE-NRFANRHFSA-N 2 1 374.573 3.117 20 30 FGEDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@H](C)O1 ZINC000426814910 500324376 /nfs/dbraw/zinc/32/43/76/500324376.db2.gz IUZVVRJFNCCLFN-IRXDYDNUSA-N 2 1 359.489 3.409 20 30 FGEDMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000420982509 500547216 /nfs/dbraw/zinc/54/72/16/500547216.db2.gz OYFFOIJSGPNZRG-UHFFFAOYSA-N 2 1 360.933 3.204 20 30 FGEDMP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000420982509 500547218 /nfs/dbraw/zinc/54/72/18/500547218.db2.gz OYFFOIJSGPNZRG-UHFFFAOYSA-N 2 1 360.933 3.204 20 30 FGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437822500 500701732 /nfs/dbraw/zinc/70/17/32/500701732.db2.gz MMFZWEVDEOBLFH-QGZVFWFLSA-N 2 1 367.440 3.092 20 30 FGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437822500 500701734 /nfs/dbraw/zinc/70/17/34/500701734.db2.gz MMFZWEVDEOBLFH-QGZVFWFLSA-N 2 1 367.440 3.092 20 30 FGEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975119 501879206 /nfs/dbraw/zinc/87/92/06/501879206.db2.gz MCOGYGUSABBLBY-INIZCTEOSA-N 2 1 374.916 3.204 20 30 FGEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975119 501879214 /nfs/dbraw/zinc/87/92/14/501879214.db2.gz MCOGYGUSABBLBY-INIZCTEOSA-N 2 1 374.916 3.204 20 30 FGEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000470975119 501879222 /nfs/dbraw/zinc/87/92/22/501879222.db2.gz MCOGYGUSABBLBY-INIZCTEOSA-N 2 1 374.916 3.204 20 30 FGEDMP N#CCc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512438411 503551148 /nfs/dbraw/zinc/55/11/48/503551148.db2.gz DXUANVRHECYJIU-DEOSSOPVSA-N 2 1 374.532 3.145 20 30 FGEDMP N#CCc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512438411 503551152 /nfs/dbraw/zinc/55/11/52/503551152.db2.gz DXUANVRHECYJIU-DEOSSOPVSA-N 2 1 374.532 3.145 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589594 504703730 /nfs/dbraw/zinc/70/37/30/504703730.db2.gz YTXSKISQHKEKOZ-PBHICJAKSA-N 2 1 362.905 3.345 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000532589594 504703733 /nfs/dbraw/zinc/70/37/33/504703733.db2.gz YTXSKISQHKEKOZ-PBHICJAKSA-N 2 1 362.905 3.345 20 30 FGEDMP COc1cc(C#N)ccc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000583385521 506751694 /nfs/dbraw/zinc/75/16/94/506751694.db2.gz KSJUHRZHCDQSMO-UHFFFAOYSA-N 2 1 358.445 3.437 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593939 507511269 /nfs/dbraw/zinc/51/12/69/507511269.db2.gz YKGBLFSAIJWLDM-ACRUOGEOSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000598593939 507511279 /nfs/dbraw/zinc/51/12/79/507511279.db2.gz YKGBLFSAIJWLDM-ACRUOGEOSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000598593939 507511286 /nfs/dbraw/zinc/51/12/86/507511286.db2.gz YKGBLFSAIJWLDM-ACRUOGEOSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000598617517 507519220 /nfs/dbraw/zinc/51/92/20/507519220.db2.gz JOVMRLXVHNVRAY-FQEVSTJZSA-N 2 1 355.526 3.275 20 30 FGEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CCCCC3)CC2)cs1 ZINC000304737444 713791530 /nfs/dbraw/zinc/79/15/30/713791530.db2.gz ALMDCQADYLKXIH-UHFFFAOYSA-N 2 1 363.575 3.155 20 30 FGEDMP N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743788 736913712 /nfs/dbraw/zinc/91/37/12/736913712.db2.gz LIRLBURQOPCIMA-UHFFFAOYSA-N 2 1 356.857 3.350 20 30 FGEDMP N#CCOc1ccc(Cl)cc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743788 736913716 /nfs/dbraw/zinc/91/37/16/736913716.db2.gz LIRLBURQOPCIMA-UHFFFAOYSA-N 2 1 356.857 3.350 20 30 FGEDMP C[C@@H]1C[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000120332065 495353776 /nfs/dbraw/zinc/35/37/76/495353776.db2.gz AQAUHZKFLUMHDW-YLJYHZDGSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@@H]1C[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332065 495353779 /nfs/dbraw/zinc/35/37/79/495353779.db2.gz AQAUHZKFLUMHDW-YLJYHZDGSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@H]1C[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000120332218 495353941 /nfs/dbraw/zinc/35/39/41/495353941.db2.gz AQAUHZKFLUMHDW-FXAWDEMLSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@H]1C[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332218 495353946 /nfs/dbraw/zinc/35/39/46/495353946.db2.gz AQAUHZKFLUMHDW-FXAWDEMLSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156662000 496304879 /nfs/dbraw/zinc/30/48/79/496304879.db2.gz OWKOUSQTSIFYQM-LEOXJPRUSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156662000 496304886 /nfs/dbraw/zinc/30/48/86/496304886.db2.gz OWKOUSQTSIFYQM-LEOXJPRUSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156662000 496304892 /nfs/dbraw/zinc/30/48/92/496304892.db2.gz OWKOUSQTSIFYQM-LEOXJPRUSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156662000 496304899 /nfs/dbraw/zinc/30/48/99/496304899.db2.gz OWKOUSQTSIFYQM-LEOXJPRUSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCCC1 ZINC000181539346 496437592 /nfs/dbraw/zinc/43/75/92/496437592.db2.gz ORGDPIWDZURSHH-LJQANCHMSA-N 2 1 354.542 3.234 20 30 FGEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000264144676 496822142 /nfs/dbraw/zinc/82/21/42/496822142.db2.gz GRNSDLHFXJUQGW-UHFFFAOYSA-N 2 1 358.530 3.226 20 30 FGEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248392781 496992706 /nfs/dbraw/zinc/99/27/06/496992706.db2.gz FWRFOUNMGUVAIA-NGRWLJPCSA-N 2 1 357.542 3.157 20 30 FGEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248392781 496992710 /nfs/dbraw/zinc/99/27/10/496992710.db2.gz FWRFOUNMGUVAIA-NGRWLJPCSA-N 2 1 357.542 3.157 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000246302815 497689993 /nfs/dbraw/zinc/68/99/93/497689993.db2.gz YSBCSQCDVCZLKE-HXUWFJFHSA-N 2 1 354.523 3.088 20 30 FGEDMP CCc1nccn1[C@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329805995 497908050 /nfs/dbraw/zinc/90/80/50/497908050.db2.gz NOTBIMTVOPRXDB-FBVQUNGASA-N 2 1 359.518 3.012 20 30 FGEDMP CCc1nccn1[C@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329805995 497908055 /nfs/dbraw/zinc/90/80/55/497908055.db2.gz NOTBIMTVOPRXDB-FBVQUNGASA-N 2 1 359.518 3.012 20 30 FGEDMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329805995 497908064 /nfs/dbraw/zinc/90/80/64/497908064.db2.gz NOTBIMTVOPRXDB-FBVQUNGASA-N 2 1 359.518 3.012 20 30 FGEDMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329805995 497908075 /nfs/dbraw/zinc/90/80/75/497908075.db2.gz NOTBIMTVOPRXDB-FBVQUNGASA-N 2 1 359.518 3.012 20 30 FGEDMP C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@@H+]1C1CC1 ZINC000329891865 497941134 /nfs/dbraw/zinc/94/11/34/497941134.db2.gz IMCXVTKZZVRYEP-NEPJUHHUSA-N 2 1 361.396 3.135 20 30 FGEDMP C[C@@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[N@H+]1C1CC1 ZINC000329891865 497941138 /nfs/dbraw/zinc/94/11/38/497941138.db2.gz IMCXVTKZZVRYEP-NEPJUHHUSA-N 2 1 361.396 3.135 20 30 FGEDMP Cc1noc(C)c1C(C)(C)[NH2+]CC#CC[NH2+]C(C)(C)c1c(C)noc1C ZINC000285739830 498186534 /nfs/dbraw/zinc/18/65/34/498186534.db2.gz RBZVLYWULPKEKD-UHFFFAOYSA-N 2 1 358.486 3.249 20 30 FGEDMP Cc1cc(N2CCC([N@H+](C)Cc3ccc(C#N)c(F)c3)CC2)nc(C)[nH+]1 ZINC000370653482 499240159 /nfs/dbraw/zinc/24/01/59/499240159.db2.gz YETJBCAPDBSAKE-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc(C#N)c(F)c3)CC2)nc(C)[nH+]1 ZINC000370653482 499240161 /nfs/dbraw/zinc/24/01/61/499240161.db2.gz YETJBCAPDBSAKE-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000370675348 499243116 /nfs/dbraw/zinc/24/31/16/499243116.db2.gz DSXNFCJCOJNGTJ-YTFSRNRJSA-N 2 1 361.489 3.046 20 30 FGEDMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376167073 499588321 /nfs/dbraw/zinc/58/83/21/499588321.db2.gz PFSFRKAGSOYLKO-GOSISDBHSA-N 3 1 354.542 3.405 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000579343468 506151620 /nfs/dbraw/zinc/15/16/20/506151620.db2.gz CRGOESIGJCIWBR-QGZVFWFLSA-N 2 1 356.432 3.239 20 30 FGEDMP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414790400 499831411 /nfs/dbraw/zinc/83/14/11/499831411.db2.gz ZTOKGBRZOLILTE-MRXNPFEDSA-N 2 1 350.890 3.092 20 30 FGEDMP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414790400 499831413 /nfs/dbraw/zinc/83/14/13/499831413.db2.gz ZTOKGBRZOLILTE-MRXNPFEDSA-N 2 1 350.890 3.092 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@@H+](C)CCC[NH2+]C)cc1OC ZINC000415138425 499869288 /nfs/dbraw/zinc/86/92/88/499869288.db2.gz VEJJHKYTTMLJDU-UHFFFAOYSA-N 2 1 357.292 3.064 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@H+](C)CCC[NH2+]C)cc1OC ZINC000415138425 499869289 /nfs/dbraw/zinc/86/92/89/499869289.db2.gz VEJJHKYTTMLJDU-UHFFFAOYSA-N 2 1 357.292 3.064 20 30 FGEDMP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570417206 506163775 /nfs/dbraw/zinc/16/37/75/506163775.db2.gz UBUJVSCLPAEDLY-RBUKOAKNSA-N 2 1 374.554 3.029 20 30 FGEDMP C=CCOc1ccc(C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000421377368 500032785 /nfs/dbraw/zinc/03/27/85/500032785.db2.gz RIYWYAMIYXLQPP-UHFFFAOYSA-N 2 1 357.542 3.243 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000432346098 500502506 /nfs/dbraw/zinc/50/25/06/500502506.db2.gz HZCNLXVDAROFRT-SFHVURJKSA-N 2 1 362.514 3.241 20 30 FGEDMP C=CC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458988006 501571917 /nfs/dbraw/zinc/57/19/17/501571917.db2.gz NNKNGZUCPXNOSQ-OALUTQOASA-N 2 1 364.578 3.177 20 30 FGEDMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000602948768 506363643 /nfs/dbraw/zinc/36/36/43/506363643.db2.gz DWJBQMTZGUOBKB-UHFFFAOYSA-N 2 1 354.498 3.227 20 30 FGEDMP C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533295898 503794920 /nfs/dbraw/zinc/79/49/20/503794920.db2.gz NDKHOHANLKFGBS-DLBZAZTESA-N 2 1 374.554 3.150 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989118 503966232 /nfs/dbraw/zinc/96/62/32/503966232.db2.gz VQVYQWOCXNVONY-DNVCBOLYSA-N 2 1 353.441 3.115 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528451248 504229841 /nfs/dbraw/zinc/22/98/41/504229841.db2.gz WCEYJWKSOUIVKC-LJQANCHMSA-N 2 1 361.917 3.071 20 30 FGEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C(C)C ZINC000520704658 504560594 /nfs/dbraw/zinc/56/05/94/504560594.db2.gz WTDWBVORGSWWHO-QUCCMNQESA-N 2 1 362.562 3.001 20 30 FGEDMP Cc1ccnc([C@H]2CCN(CC#CC[N@H+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018130 505057010 /nfs/dbraw/zinc/05/70/10/505057010.db2.gz VMIHISARXUTHCB-VXKWHMMOSA-N 2 1 374.532 3.376 20 30 FGEDMP Cc1ccnc([C@H]2CC[NH+](CC#CC[N@H+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018130 505057013 /nfs/dbraw/zinc/05/70/13/505057013.db2.gz VMIHISARXUTHCB-VXKWHMMOSA-N 2 1 374.532 3.376 20 30 FGEDMP Cc1ccnc([C@H]2CC[NH+](CC#CC[N@@H+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018130 505057016 /nfs/dbraw/zinc/05/70/16/505057016.db2.gz VMIHISARXUTHCB-VXKWHMMOSA-N 2 1 374.532 3.376 20 30 FGEDMP N#Cc1ccc2ncc(CN3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189087 506475912 /nfs/dbraw/zinc/47/59/12/506475912.db2.gz ZNRXMNJAZUDRLO-HSZRJFAPSA-N 2 1 371.488 3.304 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599657694 506558497 /nfs/dbraw/zinc/55/84/97/506558497.db2.gz KRUMVPNGKVMDDQ-GOSISDBHSA-N 2 1 370.541 3.301 20 30 FGEDMP N#Cc1cccc(C[NH+]2CCC(Nc3cc[nH+]cc3Br)CC2)c1 ZINC000593516426 506665431 /nfs/dbraw/zinc/66/54/31/506665431.db2.gz YMVLJTVJUFNPIB-UHFFFAOYSA-N 2 1 371.282 3.214 20 30 FGEDMP C[NH+]=C(NCc1nc(C(C)(C)C)cs1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086535648 700372203 /nfs/dbraw/zinc/37/22/03/700372203.db2.gz UVKFPCKAWZFZME-GOOCMWNKSA-N 2 1 363.575 3.121 20 30 FGEDMP C=C(Br)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133947417 704808622 /nfs/dbraw/zinc/80/86/22/704808622.db2.gz NIKJMDXXCLVMIV-UHFFFAOYSA-N 2 1 352.320 3.215 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180489879 705742994 /nfs/dbraw/zinc/74/29/94/705742994.db2.gz XNPRQMKTJRFRRP-AEFFLSMTSA-N 2 1 351.535 3.262 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000180489896 705743082 /nfs/dbraw/zinc/74/30/82/705743082.db2.gz XNPRQMKTJRFRRP-WMZOPIPTSA-N 2 1 351.535 3.262 20 30 FGEDMP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245587491 713607858 /nfs/dbraw/zinc/60/78/58/713607858.db2.gz FEHSJBLAQMQNRA-YQQAZPJKSA-N 2 1 366.600 3.192 20 30 FGEDMP CCCCCCNC(=[NH2+])NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000304753026 713791458 /nfs/dbraw/zinc/79/14/58/713791458.db2.gz KSTOIAJCAKNEBI-UHFFFAOYSA-N 2 1 365.591 3.402 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819024279 727339394 /nfs/dbraw/zinc/33/93/94/727339394.db2.gz NGWTXHCUDICVRE-QGZVFWFLSA-N 2 1 353.304 3.113 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 ZINC000822455462 729176898 /nfs/dbraw/zinc/17/68/98/729176898.db2.gz FVOXQDVINSEFDN-WMZOPIPTSA-N 2 1 351.535 3.405 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000577602823 505762489 /nfs/dbraw/zinc/76/24/89/505762489.db2.gz PMSSWYBOQFSGLP-HNNXBMFYSA-N 2 1 373.324 3.363 20 30 FGEDMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000123504941 495142768 /nfs/dbraw/zinc/14/27/68/495142768.db2.gz AEFCDCRWEFDSHA-UHFFFAOYSA-N 2 1 362.905 3.204 20 30 FGEDMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181567800 496449367 /nfs/dbraw/zinc/44/93/67/496449367.db2.gz JVJVHDQOHDHRQR-RBUKOAKNSA-N 2 1 354.542 3.233 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1 ZINC000182257110 496721188 /nfs/dbraw/zinc/72/11/88/496721188.db2.gz DNXKQSNFTHIEAV-UTKZUKDTSA-N 2 1 365.477 3.006 20 30 FGEDMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279454727 497442882 /nfs/dbraw/zinc/44/28/82/497442882.db2.gz SYENAYOTOGULOV-UHFFFAOYSA-N 2 1 366.513 3.163 20 30 FGEDMP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996285 498227128 /nfs/dbraw/zinc/22/71/28/498227128.db2.gz OLDDESHXHJLEJN-KNQAVFIVSA-N 2 1 368.525 3.048 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000305071527 498734917 /nfs/dbraw/zinc/73/49/17/498734917.db2.gz TVQIVAPNESYERZ-LJQANCHMSA-N 2 1 366.509 3.124 20 30 FGEDMP C=CCCC[C@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371516442 499337081 /nfs/dbraw/zinc/33/70/81/499337081.db2.gz XTZQIBISEMAYOH-SFHVURJKSA-N 2 1 364.578 3.227 20 30 FGEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000375594676 499536090 /nfs/dbraw/zinc/53/60/90/499536090.db2.gz BPZUMNFEABHFPK-FCHUYYIVSA-N 2 1 354.542 3.174 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424298273 500483074 /nfs/dbraw/zinc/48/30/74/500483074.db2.gz UGMLSTJKZKDWKB-MRXNPFEDSA-N 2 1 359.539 3.367 20 30 FGEDMP Cc1cc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)ccc1C#N ZINC000443982355 500786638 /nfs/dbraw/zinc/78/66/38/500786638.db2.gz QCMQUJWVOIMOAI-QHCPKHFHSA-N 2 1 362.521 3.335 20 30 FGEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCCC(C)(C)C#N)CC2)C[C@@H](C)O1 ZINC000444685570 500878423 /nfs/dbraw/zinc/87/84/23/500878423.db2.gz ALSMNINTODWDTC-RTBURBONSA-N 2 1 365.562 3.297 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000469760338 502535161 /nfs/dbraw/zinc/53/51/61/502535161.db2.gz JLINIKODYLPPNI-SFHVURJKSA-N 2 1 362.562 3.017 20 30 FGEDMP CC(C)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000501080796 502931668 /nfs/dbraw/zinc/93/16/68/502931668.db2.gz VMNGNFNFMZZFLE-UHFFFAOYSA-N 2 1 356.558 3.432 20 30 FGEDMP N#CC1(F)CC[NH+](Cc2ccc(C[NH+]3CCC(F)(C#N)CC3)cc2)CC1 ZINC000510903696 503215001 /nfs/dbraw/zinc/21/50/01/503215001.db2.gz SKJDATWLUFRSEQ-UHFFFAOYSA-N 2 1 358.436 3.342 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000512250494 503499075 /nfs/dbraw/zinc/49/90/75/503499075.db2.gz UZYVBSIYNRFUAD-UHFFFAOYSA-N 2 1 356.514 3.331 20 30 FGEDMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707382 503863006 /nfs/dbraw/zinc/86/30/06/503863006.db2.gz YCMWHLNYWCGFNS-VGSWGCGISA-N 2 1 366.484 3.337 20 30 FGEDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000538397169 504233660 /nfs/dbraw/zinc/23/36/60/504233660.db2.gz SIFXMSGILPHFKO-QFBILLFUSA-N 2 1 354.523 3.259 20 30 FGEDMP N#Cc1ccc2ncc(CN3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189089 506475699 /nfs/dbraw/zinc/47/56/99/506475699.db2.gz ZNRXMNJAZUDRLO-QHCPKHFHSA-N 2 1 371.488 3.304 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000595074756 507380237 /nfs/dbraw/zinc/38/02/37/507380237.db2.gz WFYZJHYXKONKJZ-GGAORHGYSA-N 2 1 361.489 3.292 20 30 FGEDMP CCC[N@H+](Cc1ccncc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000592080164 507475775 /nfs/dbraw/zinc/47/57/75/507475775.db2.gz PPIKMWHKDWSOQK-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP CCC[N@@H+](Cc1ccncc1C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000592080164 507475783 /nfs/dbraw/zinc/47/57/83/507475783.db2.gz PPIKMWHKDWSOQK-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP C[C@H](NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017394 713717527 /nfs/dbraw/zinc/71/75/27/713717527.db2.gz WQWMQRQCGSLVKH-NWDGAFQWSA-N 2 1 355.313 3.443 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000848528745 731175590 /nfs/dbraw/zinc/17/55/90/731175590.db2.gz OMGWETHEJPJUCV-ZWKOTPCHSA-N 2 1 351.535 3.452 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000876891660 736158366 /nfs/dbraw/zinc/15/83/66/736158366.db2.gz APMNLGWHZRSHIN-VBNZEHGJSA-N 2 1 374.287 3.058 20 30 FGEDMP CCC[N@H+]1CC[C@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912505942 757340530 /nfs/dbraw/zinc/34/05/30/757340530.db2.gz JVXKAMKTHRSCHN-MRXNPFEDSA-N 2 1 350.576 3.356 20 30 FGEDMP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000568050885 505604446 /nfs/dbraw/zinc/60/44/46/505604446.db2.gz LHBZMFQEGAGDKU-KRWDZBQOSA-N 2 1 374.492 3.057 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1Cl ZINC000072718206 494239141 /nfs/dbraw/zinc/23/91/41/494239141.db2.gz SDNVFOIGEHTCHF-MRXNPFEDSA-N 2 1 374.916 3.348 20 30 FGEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121987708 494904496 /nfs/dbraw/zinc/90/44/96/494904496.db2.gz ZVZXZPNSJNMHHN-GOSISDBHSA-N 2 1 368.525 3.473 20 30 FGEDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000112658083 495218345 /nfs/dbraw/zinc/21/83/45/495218345.db2.gz YFOBCVUEOIUVHE-IBGZPJMESA-N 2 1 368.525 3.331 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136866098 495406967 /nfs/dbraw/zinc/40/69/67/495406967.db2.gz JUDPERCFPCLDDG-MJGOQNOKSA-N 2 1 366.509 3.470 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000106245268 495440218 /nfs/dbraw/zinc/44/02/18/495440218.db2.gz MDDLTCPZYSZMHS-UHFFFAOYSA-N 2 1 369.469 3.125 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712830 495693478 /nfs/dbraw/zinc/69/34/78/495693478.db2.gz ICVVGFHSBWSBKP-GOEBONIOSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712830 495693481 /nfs/dbraw/zinc/69/34/81/495693481.db2.gz ICVVGFHSBWSBKP-GOEBONIOSA-N 2 1 374.916 3.393 20 30 FGEDMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1)C1CCOCC1 ZINC000185811503 495733365 /nfs/dbraw/zinc/73/33/65/495733365.db2.gz ZKLKWVIXWCHTQH-AZUAARDMSA-N 2 1 371.525 3.348 20 30 FGEDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000577879972 505811235 /nfs/dbraw/zinc/81/12/35/505811235.db2.gz YWFQDDKGPUXDTB-HNNXBMFYSA-N 2 1 356.445 3.274 20 30 FGEDMP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152394023 496137427 /nfs/dbraw/zinc/13/74/27/496137427.db2.gz XPOSXOKMQTVLGB-VQTJNVASSA-N 2 1 370.541 3.212 20 30 FGEDMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000157516698 496493920 /nfs/dbraw/zinc/49/39/20/496493920.db2.gz HZRIHZJKAVAQMO-UHFFFAOYSA-N 2 1 374.554 3.243 20 30 FGEDMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000157516698 496493924 /nfs/dbraw/zinc/49/39/24/496493924.db2.gz HZRIHZJKAVAQMO-UHFFFAOYSA-N 2 1 374.554 3.243 20 30 FGEDMP C[NH+](CCOCC[N@H+](C)Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000178593837 496509614 /nfs/dbraw/zinc/50/96/14/496509614.db2.gz GBJPBHTYXIKOMY-UHFFFAOYSA-N 2 1 362.477 3.010 20 30 FGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000265205871 497071572 /nfs/dbraw/zinc/07/15/72/497071572.db2.gz SLZCEMANZWLMHB-KNQAVFIVSA-N 2 1 372.557 3.263 20 30 FGEDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C#N)c(F)c3)CC2)nc(C)[nH+]1 ZINC000271926566 497489450 /nfs/dbraw/zinc/48/94/50/497489450.db2.gz GOGACRDUIWQXPW-CQSZACIVSA-N 2 1 353.445 3.424 20 30 FGEDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)c(F)c3)CC2)nc(C)[nH+]1 ZINC000271926565 497489673 /nfs/dbraw/zinc/48/96/73/497489673.db2.gz GOGACRDUIWQXPW-AWEZNQCLSA-N 2 1 353.445 3.424 20 30 FGEDMP C=C(C)CN(CC)C(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878741 497818244 /nfs/dbraw/zinc/81/82/44/497818244.db2.gz AVNFYRRCKFDVOX-FPOVZHCZSA-N 2 1 357.542 3.396 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329680768 497867832 /nfs/dbraw/zinc/86/78/32/497867832.db2.gz RNEWUDMVGMWLLW-KMFMINBZSA-N 2 1 361.534 3.256 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329680768 497867839 /nfs/dbraw/zinc/86/78/39/497867839.db2.gz RNEWUDMVGMWLLW-KMFMINBZSA-N 2 1 361.534 3.256 20 30 FGEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285673256 498168250 /nfs/dbraw/zinc/16/82/50/498168250.db2.gz ZXGNMFLPGOYXKU-SJPCQFCGSA-N 2 1 360.889 3.097 20 30 FGEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285673256 498168256 /nfs/dbraw/zinc/16/82/56/498168256.db2.gz ZXGNMFLPGOYXKU-SJPCQFCGSA-N 2 1 360.889 3.097 20 30 FGEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285673256 498168264 /nfs/dbraw/zinc/16/82/64/498168264.db2.gz ZXGNMFLPGOYXKU-SJPCQFCGSA-N 2 1 360.889 3.097 20 30 FGEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000328889084 498975063 /nfs/dbraw/zinc/97/50/63/498975063.db2.gz QOMSKTAIBMLOSO-NEWSRXKRSA-N 2 1 367.497 3.339 20 30 FGEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(C#N)C3CCCCC3)CC2)CC1 ZINC000576291075 506123415 /nfs/dbraw/zinc/12/34/15/506123415.db2.gz YBSWOXSJLQHEOL-QFIPXVFZSA-N 2 1 374.573 3.161 20 30 FGEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370017334 499166886 /nfs/dbraw/zinc/16/68/86/499166886.db2.gz FEHOEMROWFMUBY-QGZVFWFLSA-N 2 1 350.466 3.479 20 30 FGEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370017332 499167062 /nfs/dbraw/zinc/16/70/62/499167062.db2.gz FEHOEMROWFMUBY-KRWDZBQOSA-N 2 1 350.466 3.479 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2sccc2C#N)C1=O ZINC000411553084 499753940 /nfs/dbraw/zinc/75/39/40/499753940.db2.gz QOKMEAUKFRSLBL-RCCFBDPRSA-N 2 1 374.554 3.215 20 30 FGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000442899868 500643985 /nfs/dbraw/zinc/64/39/85/500643985.db2.gz LVIRLHKSPJNPLG-OTWHNJEPSA-N 2 1 371.525 3.209 20 30 FGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000442899868 500643988 /nfs/dbraw/zinc/64/39/88/500643988.db2.gz LVIRLHKSPJNPLG-OTWHNJEPSA-N 2 1 371.525 3.209 20 30 FGEDMP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000442899872 500644301 /nfs/dbraw/zinc/64/43/01/500644301.db2.gz LVIRLHKSPJNPLG-QRVBRYPASA-N 2 1 371.525 3.209 20 30 FGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)c(C)c3)CC2)oc1C ZINC000443981104 500786725 /nfs/dbraw/zinc/78/67/25/500786725.db2.gz AEXFKOIDLIBVTN-UHFFFAOYSA-N 2 1 352.482 3.473 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000611622472 506233602 /nfs/dbraw/zinc/23/36/02/506233602.db2.gz LHLTUARJGOYJNC-FYYLOGMGSA-N 2 1 361.489 3.292 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299517 502366781 /nfs/dbraw/zinc/36/67/81/502366781.db2.gz ZZIHMUJWVMWGQK-ROUUACIJSA-N 2 1 368.525 3.102 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000470019618 502632267 /nfs/dbraw/zinc/63/22/67/502632267.db2.gz UREFMDLHVBNUHR-UHFFFAOYSA-N 2 1 369.303 3.206 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000470019618 502632263 /nfs/dbraw/zinc/63/22/63/502632263.db2.gz UREFMDLHVBNUHR-UHFFFAOYSA-N 2 1 369.303 3.206 20 30 FGEDMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3F)cn2)CC1 ZINC000512659459 503605277 /nfs/dbraw/zinc/60/52/77/503605277.db2.gz HCDAUZPNFWKUTM-INIZCTEOSA-N 2 1 367.472 3.085 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CCC)CC1 ZINC000528447858 504228768 /nfs/dbraw/zinc/22/87/68/504228768.db2.gz HUSIKNCEBWGHSG-IFMALSPDSA-N 2 1 369.553 3.301 20 30 FGEDMP CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000532537942 504685823 /nfs/dbraw/zinc/68/58/23/504685823.db2.gz ZNXAVNOVNIEAFE-UHFFFAOYSA-N 2 1 374.554 3.293 20 30 FGEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000532537942 504685830 /nfs/dbraw/zinc/68/58/30/504685830.db2.gz ZNXAVNOVNIEAFE-UHFFFAOYSA-N 2 1 374.554 3.293 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000532537942 504685834 /nfs/dbraw/zinc/68/58/34/504685834.db2.gz ZNXAVNOVNIEAFE-UHFFFAOYSA-N 2 1 374.554 3.293 20 30 FGEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603696985 506597962 /nfs/dbraw/zinc/59/79/62/506597962.db2.gz XGSQNKBIUYEXPK-LJQANCHMSA-N 2 1 374.573 3.306 20 30 FGEDMP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594505330 507159509 /nfs/dbraw/zinc/15/95/09/507159509.db2.gz RHIOFKRPLWAODP-FQEVSTJZSA-N 2 1 359.539 3.024 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065404 507374588 /nfs/dbraw/zinc/37/45/88/507374588.db2.gz AYEIYWDTNSSZRQ-FOIQADDNSA-N 2 1 353.441 3.115 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595863196 507719358 /nfs/dbraw/zinc/71/93/58/507719358.db2.gz KUPKGJPKMXOJQD-QFIPXVFZSA-N 2 1 361.489 3.256 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595863196 507719361 /nfs/dbraw/zinc/71/93/61/507719361.db2.gz KUPKGJPKMXOJQD-QFIPXVFZSA-N 2 1 361.489 3.256 20 30 FGEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000262683198 713728721 /nfs/dbraw/zinc/72/87/21/713728721.db2.gz XFTUBQOFJUJPEB-INWMFGNUSA-N 2 1 354.420 3.026 20 30 FGEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000849025640 731224020 /nfs/dbraw/zinc/22/40/20/731224020.db2.gz YLCYICSHTJVSPE-KRWDZBQOSA-N 2 1 360.527 3.479 20 30 FGEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)[C@H]2CCSC2)c1)[C@H]1CCSC1 ZINC000878304401 736803510 /nfs/dbraw/zinc/80/35/10/736803510.db2.gz MYUIHIXLYXTJMM-OALUTQOASA-N 2 1 361.580 3.433 20 30 FGEDMP C#CCOc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1 ZINC000113341911 495298102 /nfs/dbraw/zinc/29/81/02/495298102.db2.gz WRFZVOSVRXSRGS-UHFFFAOYSA-N 2 1 367.493 3.305 20 30 FGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000120220094 495330566 /nfs/dbraw/zinc/33/05/66/495330566.db2.gz CVHCKPBRVSDDAW-HXUWFJFHSA-N 2 1 368.525 3.331 20 30 FGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000173781953 495690624 /nfs/dbraw/zinc/69/06/24/495690624.db2.gz DVZLZNSAOFDXBY-OAHLLOKOSA-N 2 1 362.905 3.204 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000183154176 495857700 /nfs/dbraw/zinc/85/77/00/495857700.db2.gz OAUQZMJXZABSLZ-ZDUSSCGKSA-N 2 1 365.462 3.403 20 30 FGEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000174460041 495968198 /nfs/dbraw/zinc/96/81/98/495968198.db2.gz PFCKZPHXXJZSNP-OXQOHEQNSA-N 2 1 365.506 3.440 20 30 FGEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1cccs1 ZINC000174460041 495968201 /nfs/dbraw/zinc/96/82/01/495968201.db2.gz PFCKZPHXXJZSNP-OXQOHEQNSA-N 2 1 365.506 3.440 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@H+](C)C2CC([NH3+])C2)cc1OCC ZINC000568983173 505824008 /nfs/dbraw/zinc/82/40/08/505824008.db2.gz FSJGCDZHNBSOGM-UHFFFAOYSA-N 2 1 369.303 3.334 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C2CC([NH3+])C2)cc1OCC ZINC000568983173 505824011 /nfs/dbraw/zinc/82/40/11/505824011.db2.gz FSJGCDZHNBSOGM-UHFFFAOYSA-N 2 1 369.303 3.334 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(NS(=O)(=O)CC)cc2)CC1 ZINC000153005767 496323033 /nfs/dbraw/zinc/32/30/33/496323033.db2.gz RSMGLCJXZNRGMU-MRXNPFEDSA-N 2 1 365.543 3.139 20 30 FGEDMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181808544 496554041 /nfs/dbraw/zinc/55/40/41/496554041.db2.gz GOUCXFNTZGNZPF-UHFFFAOYSA-N 2 1 351.498 3.098 20 30 FGEDMP C[N@H+]1CCC[C@H]2CN(Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248073 496815207 /nfs/dbraw/zinc/81/52/07/496815207.db2.gz XBHUSKMGZKTFNE-PZJWPPBQSA-N 2 1 363.509 3.380 20 30 FGEDMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000271070892 497258142 /nfs/dbraw/zinc/25/81/42/497258142.db2.gz LSOFVMAHOZVFEF-UHFFFAOYSA-N 2 1 354.542 3.008 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000272752620 497720471 /nfs/dbraw/zinc/72/04/71/497720471.db2.gz NYWYSYYIBTZIHD-FOIQADDNSA-N 2 1 353.441 3.115 20 30 FGEDMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582136 498418410 /nfs/dbraw/zinc/41/84/10/498418410.db2.gz HVYGOTKSNYOJQB-QFIPXVFZSA-N 2 1 363.509 3.381 20 30 FGEDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582136 498418417 /nfs/dbraw/zinc/41/84/17/498418417.db2.gz HVYGOTKSNYOJQB-QFIPXVFZSA-N 2 1 363.509 3.381 20 30 FGEDMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582136 498418423 /nfs/dbraw/zinc/41/84/23/498418423.db2.gz HVYGOTKSNYOJQB-QFIPXVFZSA-N 2 1 363.509 3.381 20 30 FGEDMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)C2)C1 ZINC000293582136 498418425 /nfs/dbraw/zinc/41/84/25/498418425.db2.gz HVYGOTKSNYOJQB-QFIPXVFZSA-N 2 1 363.509 3.381 20 30 FGEDMP C[NH+]1CCC([NH+]2CCC(CCNc3c(C#N)cccc3C#N)CC2)CC1 ZINC000365460789 498478634 /nfs/dbraw/zinc/47/86/34/498478634.db2.gz MOOVUTNJHMFVGF-UHFFFAOYSA-N 2 1 351.498 3.038 20 30 FGEDMP Cc1cccc(NC2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000363229681 498714725 /nfs/dbraw/zinc/71/47/25/498714725.db2.gz HFOYHRUTDKFOEQ-UHFFFAOYSA-N 2 1 363.465 3.167 20 30 FGEDMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328777306 498935686 /nfs/dbraw/zinc/93/56/86/498935686.db2.gz DALQJZMHICVYJU-HRAATJIYSA-N 2 1 373.497 3.242 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000328976878 499003474 /nfs/dbraw/zinc/00/34/74/499003474.db2.gz BWBSINXUVLOIPH-ABSDTBQOSA-N 2 1 361.534 3.024 20 30 FGEDMP C[C@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000328976878 499003480 /nfs/dbraw/zinc/00/34/80/499003480.db2.gz BWBSINXUVLOIPH-ABSDTBQOSA-N 2 1 361.534 3.024 20 30 FGEDMP C[C@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000328976878 499003485 /nfs/dbraw/zinc/00/34/85/499003485.db2.gz BWBSINXUVLOIPH-ABSDTBQOSA-N 2 1 361.534 3.024 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3-c3cccnc3)CC2)cc1 ZINC000367496899 499206276 /nfs/dbraw/zinc/20/62/76/499206276.db2.gz IAKDNPMLPVQANY-UHFFFAOYSA-N 2 1 355.445 3.337 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000371497097 499334513 /nfs/dbraw/zinc/33/45/13/499334513.db2.gz IYSIFPMHDDIHNH-DENIHFKCSA-N 2 1 367.537 3.016 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000376805132 499635691 /nfs/dbraw/zinc/63/56/91/499635691.db2.gz SSAPZYSYPFSRBP-IDPBPBMLSA-N 2 1 357.498 3.129 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000376805132 499635693 /nfs/dbraw/zinc/63/56/93/499635693.db2.gz SSAPZYSYPFSRBP-IDPBPBMLSA-N 2 1 357.498 3.129 20 30 FGEDMP C=C(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000411555927 499762836 /nfs/dbraw/zinc/76/28/36/499762836.db2.gz OGCGRFHBDYVYKP-FQEVSTJZSA-N 2 1 365.468 3.161 20 30 FGEDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000414523937 499802846 /nfs/dbraw/zinc/80/28/46/499802846.db2.gz FZMVXZUBRFJADT-UYAOXDASSA-N 2 1 355.507 3.246 20 30 FGEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000414523937 499802847 /nfs/dbraw/zinc/80/28/47/499802847.db2.gz FZMVXZUBRFJADT-UYAOXDASSA-N 2 1 355.507 3.246 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414953909 499848436 /nfs/dbraw/zinc/84/84/36/499848436.db2.gz SATGDEILNJFZKF-OCCSQVGLSA-N 2 1 369.303 3.253 20 30 FGEDMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000423567754 500385274 /nfs/dbraw/zinc/38/52/74/500385274.db2.gz MGZGBMYHNNDUHZ-KRWDZBQOSA-N 2 1 366.484 3.341 20 30 FGEDMP Cc1cc(C)c(C#N)c(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000431823682 500429210 /nfs/dbraw/zinc/42/92/10/500429210.db2.gz RPUADYMINVYYMG-UHFFFAOYSA-N 2 1 369.557 3.203 20 30 FGEDMP COc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1C#N ZINC000442883116 500639432 /nfs/dbraw/zinc/63/94/32/500639432.db2.gz UIJAGSCJQJTROB-HDICACEKSA-N 2 1 371.525 3.278 20 30 FGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449083197 500920928 /nfs/dbraw/zinc/92/09/28/500920928.db2.gz SGRUOAHJIJAUBD-UHFFFAOYSA-N 2 1 354.542 3.386 20 30 FGEDMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134513 500937580 /nfs/dbraw/zinc/93/75/80/500937580.db2.gz IUWORZKQGBPQBL-GOSISDBHSA-N 2 1 366.513 3.022 20 30 FGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134513 500937582 /nfs/dbraw/zinc/93/75/82/500937582.db2.gz IUWORZKQGBPQBL-GOSISDBHSA-N 2 1 366.513 3.022 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134513 500937585 /nfs/dbraw/zinc/93/75/85/500937585.db2.gz IUWORZKQGBPQBL-GOSISDBHSA-N 2 1 366.513 3.022 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000435134513 500937588 /nfs/dbraw/zinc/93/75/88/500937588.db2.gz IUWORZKQGBPQBL-GOSISDBHSA-N 2 1 366.513 3.022 20 30 FGEDMP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000596059154 506232507 /nfs/dbraw/zinc/23/25/07/506232507.db2.gz NCFJBNXTAANXPG-HXUWFJFHSA-N 2 1 352.526 3.239 20 30 FGEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000590777775 506948073 /nfs/dbraw/zinc/94/80/73/506948073.db2.gz FGTXJRWLVPSCKM-VSKRKVRLSA-N 2 1 352.526 3.007 20 30 FGEDMP CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594440446 507133309 /nfs/dbraw/zinc/13/33/09/507133309.db2.gz CKFDBQXIBXNWHT-RTWAWAEBSA-N 2 1 370.541 3.301 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593948 507510654 /nfs/dbraw/zinc/51/06/54/507510654.db2.gz YKGBLFSAIJWLDM-PCCBWWKXSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000598593948 507510658 /nfs/dbraw/zinc/51/06/58/507510658.db2.gz YKGBLFSAIJWLDM-PCCBWWKXSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000598593948 507510666 /nfs/dbraw/zinc/51/06/66/507510666.db2.gz YKGBLFSAIJWLDM-PCCBWWKXSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000598593949 507511321 /nfs/dbraw/zinc/51/13/21/507511321.db2.gz YKGBLFSAIJWLDM-QHAWAJNXSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000598593949 507511327 /nfs/dbraw/zinc/51/13/27/507511327.db2.gz YKGBLFSAIJWLDM-QHAWAJNXSA-N 2 1 355.526 3.274 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000598593949 507511329 /nfs/dbraw/zinc/51/13/29/507511329.db2.gz YKGBLFSAIJWLDM-QHAWAJNXSA-N 2 1 355.526 3.274 20 30 FGEDMP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000157315014 705150678 /nfs/dbraw/zinc/15/06/78/705150678.db2.gz FEHSJBLAQMQNRA-ZOBUZTSGSA-N 2 1 366.600 3.192 20 30 FGEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305707469 713793253 /nfs/dbraw/zinc/79/32/53/713793253.db2.gz WNAMLIBEFFJXQI-RHSMWYFYSA-N 2 1 354.901 3.422 20 30 FGEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000327990770 713824300 /nfs/dbraw/zinc/82/43/00/713824300.db2.gz LFTFATHRZJKBII-INIZCTEOSA-N 2 1 351.288 3.208 20 30 FGEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000327990770 713824304 /nfs/dbraw/zinc/82/43/04/713824304.db2.gz LFTFATHRZJKBII-INIZCTEOSA-N 2 1 351.288 3.208 20 30 FGEDMP C=CC[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662663475 720450530 /nfs/dbraw/zinc/45/05/30/720450530.db2.gz HSNNTHIUOINTAT-QUCCMNQESA-N 2 1 361.917 3.291 20 30 FGEDMP C#CCOc1cccc(Cl)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000778163977 724305620 /nfs/dbraw/zinc/30/56/20/724305620.db2.gz KMPXKTMRYIYKQB-CALCHBBNSA-N 2 1 364.917 3.331 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000819024773 727339191 /nfs/dbraw/zinc/33/91/91/727339191.db2.gz VCNMQOVNOGZZMJ-QGZVFWFLSA-N 2 1 371.294 3.252 20 30 FGEDMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000116396295 494772861 /nfs/dbraw/zinc/77/28/61/494772861.db2.gz IYCVBAXZDAETHE-GUYCJALGSA-N 2 1 364.921 3.495 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000118834163 495044759 /nfs/dbraw/zinc/04/47/59/495044759.db2.gz BEWSFDQZCHASBT-HXUWFJFHSA-N 2 1 368.525 3.475 20 30 FGEDMP C=CCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000105476206 495365812 /nfs/dbraw/zinc/36/58/12/495365812.db2.gz FBDZSAPSTGRNFS-UHFFFAOYSA-N 2 1 351.922 3.022 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000130632044 495422248 /nfs/dbraw/zinc/42/22/48/495422248.db2.gz ZUXOCAPGMWEKBO-UHFFFAOYSA-N 2 1 367.497 3.077 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000130632044 495422252 /nfs/dbraw/zinc/42/22/52/495422252.db2.gz ZUXOCAPGMWEKBO-UHFFFAOYSA-N 2 1 367.497 3.077 20 30 FGEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000125420916 495441511 /nfs/dbraw/zinc/44/15/11/495441511.db2.gz NLYMXWPNEAWKOI-UHFFFAOYSA-N 2 1 351.498 3.051 20 30 FGEDMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000125420916 495441517 /nfs/dbraw/zinc/44/15/17/495441517.db2.gz NLYMXWPNEAWKOI-UHFFFAOYSA-N 2 1 351.498 3.051 20 30 FGEDMP COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCCC1 ZINC000170912649 495649598 /nfs/dbraw/zinc/64/95/98/495649598.db2.gz KWGLSYXAOSXOTD-KRWDZBQOSA-N 2 1 353.470 3.044 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183686270 496079509 /nfs/dbraw/zinc/07/95/09/496079509.db2.gz FFZNQQYZOFWCAC-DLBZAZTESA-N 2 1 352.482 3.420 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435417 /nfs/dbraw/zinc/43/54/17/497435417.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435422 /nfs/dbraw/zinc/43/54/22/497435422.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@H](C)C1 ZINC000279418823 497435428 /nfs/dbraw/zinc/43/54/28/497435428.db2.gz OSBIAFXCFLYMQH-XLIONFOSSA-N 2 1 366.513 3.021 20 30 FGEDMP N#Cc1cccc(OCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764529 /nfs/dbraw/zinc/76/45/29/498764529.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764532 /nfs/dbraw/zinc/76/45/32/498764532.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000312940280 498764537 /nfs/dbraw/zinc/76/45/37/498764537.db2.gz PMQWZWFBWZPFIO-FCHUYYIVSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc2ncc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)n2c1 ZINC000370140278 499186782 /nfs/dbraw/zinc/18/67/82/499186782.db2.gz LMOBGLZLGJAHOF-QGZVFWFLSA-N 2 1 360.465 3.118 20 30 FGEDMP C=CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000368069908 499261421 /nfs/dbraw/zinc/26/14/21/499261421.db2.gz NYXRCBVRYCONNB-SESVDKBCSA-N 2 1 355.526 3.006 20 30 FGEDMP C=CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000368069908 499261423 /nfs/dbraw/zinc/26/14/23/499261423.db2.gz NYXRCBVRYCONNB-SESVDKBCSA-N 2 1 355.526 3.006 20 30 FGEDMP C=CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368069908 499261425 /nfs/dbraw/zinc/26/14/25/499261425.db2.gz NYXRCBVRYCONNB-SESVDKBCSA-N 2 1 355.526 3.006 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000579343463 506151229 /nfs/dbraw/zinc/15/12/29/506151229.db2.gz CRGOESIGJCIWBR-KRWDZBQOSA-N 2 1 356.432 3.239 20 30 FGEDMP N#Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000573566438 506212628 /nfs/dbraw/zinc/21/26/28/506212628.db2.gz AVLJBXQXYPDBIP-BGYRXZFFSA-N 2 1 362.433 3.030 20 30 FGEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000444630393 500869526 /nfs/dbraw/zinc/86/95/26/500869526.db2.gz ZXSMFVRLXTUGNC-GOSISDBHSA-N 2 1 354.502 3.087 20 30 FGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131520 500937307 /nfs/dbraw/zinc/93/73/07/500937307.db2.gz ZNFMCNHCWDICLV-YLJYHZDGSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131520 500937311 /nfs/dbraw/zinc/93/73/11/500937311.db2.gz ZNFMCNHCWDICLV-YLJYHZDGSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131520 500937313 /nfs/dbraw/zinc/93/73/13/500937313.db2.gz ZNFMCNHCWDICLV-YLJYHZDGSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1C ZINC000435131520 500937318 /nfs/dbraw/zinc/93/73/18/500937318.db2.gz ZNFMCNHCWDICLV-YLJYHZDGSA-N 2 1 366.513 3.163 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000611622476 506232822 /nfs/dbraw/zinc/23/28/22/506232822.db2.gz LHLTUARJGOYJNC-GMAHTHKFSA-N 2 1 361.489 3.292 20 30 FGEDMP C=CC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458988004 501572116 /nfs/dbraw/zinc/57/21/16/501572116.db2.gz NNKNGZUCPXNOSQ-MOPGFXCFSA-N 2 1 364.578 3.177 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1C#N ZINC000482142681 501987608 /nfs/dbraw/zinc/98/76/08/501987608.db2.gz LRXOOVOPVUQNOK-KPFFTGBYSA-N 2 1 356.514 3.375 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000503076402 503340994 /nfs/dbraw/zinc/34/09/94/503340994.db2.gz UGZQPHRREJHSQK-INIZCTEOSA-N 2 1 360.527 3.178 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503076402 503340997 /nfs/dbraw/zinc/34/09/97/503340997.db2.gz UGZQPHRREJHSQK-INIZCTEOSA-N 2 1 360.527 3.178 20 30 FGEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccc(C#N)o3)cc2)C[C@H]1C ZINC000540653133 503844891 /nfs/dbraw/zinc/84/48/91/503844891.db2.gz IEOCVNANNAZDLZ-HDICACEKSA-N 2 1 367.493 3.450 20 30 FGEDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000538397167 504234443 /nfs/dbraw/zinc/23/44/43/504234443.db2.gz SIFXMSGILPHFKO-APWZRJJASA-N 2 1 354.523 3.259 20 30 FGEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@@H](C)O1 ZINC000549401093 504809840 /nfs/dbraw/zinc/80/98/40/504809840.db2.gz IMSGGGWSZOCVTA-QZTJIDSGSA-N 2 1 366.509 3.132 20 30 FGEDMP Cc1ccnc([C@@H]2CCN(CC#CC[N@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018128 505056748 /nfs/dbraw/zinc/05/67/48/505056748.db2.gz VMIHISARXUTHCB-FGZHOGPDSA-N 2 1 374.532 3.376 20 30 FGEDMP Cc1ccnc([C@@H]2CC[NH+](CC#CC[N@H+]3CC[C@@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018128 505056753 /nfs/dbraw/zinc/05/67/53/505056753.db2.gz VMIHISARXUTHCB-FGZHOGPDSA-N 2 1 374.532 3.376 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@H+](C)CCC[NH3+])cc1OCC ZINC000566620193 505224378 /nfs/dbraw/zinc/22/43/78/505224378.db2.gz RCSSVTALXKWNSO-UHFFFAOYSA-N 2 1 357.292 3.193 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@@H+](C)CCC[NH3+])cc1OCC ZINC000566620193 505224380 /nfs/dbraw/zinc/22/43/80/505224380.db2.gz RCSSVTALXKWNSO-UHFFFAOYSA-N 2 1 357.292 3.193 20 30 FGEDMP C=CCOc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000561178765 505273402 /nfs/dbraw/zinc/27/34/02/505273402.db2.gz UNJBUGKEKMCPPE-UHFFFAOYSA-N 2 1 371.525 3.386 20 30 FGEDMP N#CC1(c2ccc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000594944623 507324161 /nfs/dbraw/zinc/32/41/61/507324161.db2.gz TXDOTXAMFYKCTI-QFIPXVFZSA-N 2 1 361.489 3.098 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000598725263 507569419 /nfs/dbraw/zinc/56/94/19/507569419.db2.gz WRJMXZBKKFBLCZ-PLACYPQZSA-N 2 1 355.526 3.177 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305685419 713793272 /nfs/dbraw/zinc/79/32/72/713793272.db2.gz OLBBGHRXMVNFSC-WMLDXEAASA-N 2 1 352.885 3.273 20 30 FGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000819101272 727347560 /nfs/dbraw/zinc/34/75/60/727347560.db2.gz QCFLOXWRPKVECA-WSTZPKSXSA-N 2 1 355.507 3.326 20 30 FGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1cccs1 ZINC000819101272 727347564 /nfs/dbraw/zinc/34/75/64/727347564.db2.gz QCFLOXWRPKVECA-WSTZPKSXSA-N 2 1 355.507 3.326 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553252 732037875 /nfs/dbraw/zinc/03/78/75/732037875.db2.gz LLVDYVNGYYUTTK-SFHVURJKSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553252 732037879 /nfs/dbraw/zinc/03/78/79/732037879.db2.gz LLVDYVNGYYUTTK-SFHVURJKSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)ccn1 ZINC000856553252 732037884 /nfs/dbraw/zinc/03/78/84/732037884.db2.gz LLVDYVNGYYUTTK-SFHVURJKSA-N 2 1 356.495 3.120 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921702038 758773583 /nfs/dbraw/zinc/77/35/83/758773583.db2.gz GIMNHNSUIDFRMH-AEFFLSMTSA-N 2 1 351.535 3.310 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000108932948 494807588 /nfs/dbraw/zinc/80/75/88/494807588.db2.gz VTDKGQYYHMVXNG-LJQANCHMSA-N 2 1 367.537 3.022 20 30 FGEDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000120239464 495334462 /nfs/dbraw/zinc/33/44/62/495334462.db2.gz ZSBRZOVUXVUEBG-QGZVFWFLSA-N 2 1 356.514 3.329 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000120239464 495334466 /nfs/dbraw/zinc/33/44/66/495334466.db2.gz ZSBRZOVUXVUEBG-QGZVFWFLSA-N 2 1 356.514 3.329 20 30 FGEDMP Cc1nccn1CCC[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000130941590 495469885 /nfs/dbraw/zinc/46/98/85/495469885.db2.gz CQIHTCNZNYTTTL-UHFFFAOYSA-N 2 1 367.497 3.077 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000130941590 495469887 /nfs/dbraw/zinc/46/98/87/495469887.db2.gz CQIHTCNZNYTTTL-UHFFFAOYSA-N 2 1 367.497 3.077 20 30 FGEDMP Cn1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198347 495901579 /nfs/dbraw/zinc/90/15/79/495901579.db2.gz FSQTVMCWFHPLFZ-HXUWFJFHSA-N 2 1 351.498 3.265 20 30 FGEDMP Cn1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198347 495901585 /nfs/dbraw/zinc/90/15/85/495901585.db2.gz FSQTVMCWFHPLFZ-HXUWFJFHSA-N 2 1 351.498 3.265 20 30 FGEDMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198347 495901589 /nfs/dbraw/zinc/90/15/89/495901589.db2.gz FSQTVMCWFHPLFZ-HXUWFJFHSA-N 2 1 351.498 3.265 20 30 FGEDMP Cn1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(-c2ccc(C#N)cc2)n1 ZINC000180198347 495901594 /nfs/dbraw/zinc/90/15/94/495901594.db2.gz FSQTVMCWFHPLFZ-HXUWFJFHSA-N 2 1 351.498 3.265 20 30 FGEDMP Cc1cc(N2CCC(N(C)Cc3cc(F)ccc3C#N)CC2)nc(C)n1 ZINC000160536220 495985456 /nfs/dbraw/zinc/98/54/56/495985456.db2.gz XUADUQQBKUCKMU-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OCC(=O)N(C)C)CC1 ZINC000153018488 496327645 /nfs/dbraw/zinc/32/76/45/496327645.db2.gz NZNIZAOBDKFTSR-HXUWFJFHSA-N 2 1 373.541 3.235 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611980 497056368 /nfs/dbraw/zinc/05/63/68/497056368.db2.gz XTWLDCOXAHCGTN-RCZSKKKRSA-N 2 1 372.553 3.397 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246786525 497810866 /nfs/dbraw/zinc/81/08/66/497810866.db2.gz MBXRCFWYIAAZMQ-FCEUIQTBSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786525 497810867 /nfs/dbraw/zinc/81/08/67/497810867.db2.gz MBXRCFWYIAAZMQ-FCEUIQTBSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246786525 497810868 /nfs/dbraw/zinc/81/08/68/497810868.db2.gz MBXRCFWYIAAZMQ-FCEUIQTBSA-N 2 1 370.537 3.104 20 30 FGEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000330297413 498096258 /nfs/dbraw/zinc/09/62/58/498096258.db2.gz KVNGEGROQWYJDE-AWEZNQCLSA-N 2 1 372.517 3.038 20 30 FGEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000330297413 498096266 /nfs/dbraw/zinc/09/62/66/498096266.db2.gz KVNGEGROQWYJDE-AWEZNQCLSA-N 2 1 372.517 3.038 20 30 FGEDMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352007 498520558 /nfs/dbraw/zinc/52/05/58/498520558.db2.gz GCYAYOAXOLIICQ-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352007 498520563 /nfs/dbraw/zinc/52/05/63/498520563.db2.gz GCYAYOAXOLIICQ-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OCCCC#N ZINC000290352007 498520567 /nfs/dbraw/zinc/52/05/67/498520567.db2.gz GCYAYOAXOLIICQ-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000328869500 498967273 /nfs/dbraw/zinc/96/72/73/498967273.db2.gz XRWSOKFLNLLBKF-ZWKOTPCHSA-N 2 1 374.554 3.029 20 30 FGEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000370633227 499237749 /nfs/dbraw/zinc/23/77/49/499237749.db2.gz DHGSCXFPHGKCPT-UGKGYDQZSA-N 2 1 367.493 3.438 20 30 FGEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000370633227 499237751 /nfs/dbraw/zinc/23/77/51/499237751.db2.gz DHGSCXFPHGKCPT-UGKGYDQZSA-N 2 1 367.493 3.438 20 30 FGEDMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371178886 499295945 /nfs/dbraw/zinc/29/59/45/499295945.db2.gz VMFXYMZKSNCDJS-INIZCTEOSA-N 2 1 360.527 3.146 20 30 FGEDMP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371178886 499295947 /nfs/dbraw/zinc/29/59/47/499295947.db2.gz VMFXYMZKSNCDJS-INIZCTEOSA-N 2 1 360.527 3.146 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414935860 499846492 /nfs/dbraw/zinc/84/64/92/499846492.db2.gz BAYMNJHGHDYVOC-WFASDCNBSA-N 2 1 369.303 3.110 20 30 FGEDMP C=CCOc1ccccc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421373053 500031397 /nfs/dbraw/zinc/03/13/97/500031397.db2.gz MESOOODUGNPOIX-UHFFFAOYSA-N 2 1 357.542 3.243 20 30 FGEDMP C[N@@H+](CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000429728120 500133308 /nfs/dbraw/zinc/13/33/08/500133308.db2.gz YATXNDMHPWKUPA-UHFFFAOYSA-N 2 1 362.521 3.198 20 30 FGEDMP C[NH+](CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000429728120 500133310 /nfs/dbraw/zinc/13/33/10/500133310.db2.gz YATXNDMHPWKUPA-UHFFFAOYSA-N 2 1 362.521 3.198 20 30 FGEDMP C[NH+](CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000429728120 500133311 /nfs/dbraw/zinc/13/33/11/500133311.db2.gz YATXNDMHPWKUPA-UHFFFAOYSA-N 2 1 362.521 3.198 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602728057 506275058 /nfs/dbraw/zinc/27/50/58/506275058.db2.gz HXQAODUIVLZCKH-SBHAEUEKSA-N 2 1 355.526 3.443 20 30 FGEDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000482168868 501995847 /nfs/dbraw/zinc/99/58/47/501995847.db2.gz YDQXGRMSUQWFTE-MOPGFXCFSA-N 2 1 362.562 3.161 20 30 FGEDMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463239319 502733575 /nfs/dbraw/zinc/73/35/75/502733575.db2.gz XVSMVJHBVGAZNZ-NRFANRHFSA-N 2 1 354.542 3.233 20 30 FGEDMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463239319 502733580 /nfs/dbraw/zinc/73/35/80/502733580.db2.gz XVSMVJHBVGAZNZ-NRFANRHFSA-N 2 1 354.542 3.233 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3COc4ccc(F)cc43)CC2)cc1 ZINC000463281741 502744327 /nfs/dbraw/zinc/74/43/27/502744327.db2.gz QIVKCWFBARKOOO-FQEVSTJZSA-N 2 1 351.425 3.385 20 30 FGEDMP C=C[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000489406083 502949598 /nfs/dbraw/zinc/94/95/98/502949598.db2.gz REMAJDLNYQOIBQ-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000489406083 502949603 /nfs/dbraw/zinc/94/96/03/502949603.db2.gz REMAJDLNYQOIBQ-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000489406083 502949606 /nfs/dbraw/zinc/94/96/06/502949606.db2.gz REMAJDLNYQOIBQ-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000489406083 502949611 /nfs/dbraw/zinc/94/96/11/502949611.db2.gz REMAJDLNYQOIBQ-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517997771 503884367 /nfs/dbraw/zinc/88/43/67/503884367.db2.gz OXWSSIWTUDLZSG-WIYYLYMNSA-N 2 1 370.541 3.162 20 30 FGEDMP C=CCc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(OC)c1O ZINC000530723024 504065330 /nfs/dbraw/zinc/06/53/30/504065330.db2.gz JSUPBZKMWQLFPB-CALCHBBNSA-N 2 1 362.514 3.108 20 30 FGEDMP C=CCN(CCc1ccco1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000519422528 504218223 /nfs/dbraw/zinc/21/82/23/504218223.db2.gz YEMDNKAMVMVWKL-UHFFFAOYSA-N 2 1 373.541 3.033 20 30 FGEDMP CC[N@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC(C)C ZINC000539099633 504473022 /nfs/dbraw/zinc/47/30/22/504473022.db2.gz KTGZSZBZSGQOPX-NRFANRHFSA-N 2 1 370.541 3.165 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC(C)C ZINC000539099633 504473025 /nfs/dbraw/zinc/47/30/25/504473025.db2.gz KTGZSZBZSGQOPX-NRFANRHFSA-N 2 1 370.541 3.165 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000599657695 506557429 /nfs/dbraw/zinc/55/74/29/506557429.db2.gz KRUMVPNGKVMDDQ-SFHVURJKSA-N 2 1 370.541 3.301 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180490086 705742943 /nfs/dbraw/zinc/74/29/43/705742943.db2.gz GTCATBRRCVJGQC-SJLPKXTDSA-N 2 1 351.535 3.310 20 30 FGEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262527721 713726944 /nfs/dbraw/zinc/72/69/44/713726944.db2.gz HEARLUZZKGREEI-UHFFFAOYSA-N 2 1 354.285 3.206 20 30 FGEDMP [NH2+]=C(NCCc1cccs1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000303895549 713790169 /nfs/dbraw/zinc/79/01/69/713790169.db2.gz TYWSICOLTWBBNI-OAHLLOKOSA-N 2 1 362.568 3.169 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000819025155 727339700 /nfs/dbraw/zinc/33/97/00/727339700.db2.gz ZSUCTEAIOSYZDZ-QGZVFWFLSA-N 2 1 358.404 3.249 20 30 FGEDMP Cc1cc(N2CCC([N@H+](C)Cc3ccc(C#N)cc3F)CC2)nc(C)[nH+]1 ZINC000080968060 493804408 /nfs/dbraw/zinc/80/44/08/493804408.db2.gz ZWYMODGPQSWWKM-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc(C#N)cc3F)CC2)nc(C)[nH+]1 ZINC000080968060 493804409 /nfs/dbraw/zinc/80/44/09/493804409.db2.gz ZWYMODGPQSWWKM-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000106244907 495439677 /nfs/dbraw/zinc/43/96/77/495439677.db2.gz XROVGRSVAYYVNB-UHFFFAOYSA-N 2 1 356.470 3.087 20 30 FGEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720651 495697421 /nfs/dbraw/zinc/69/74/21/495697421.db2.gz ZFHKCLTXIXHMLF-OALUTQOASA-N 2 1 368.525 3.176 20 30 FGEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720651 495697422 /nfs/dbraw/zinc/69/74/22/495697422.db2.gz ZFHKCLTXIXHMLF-OALUTQOASA-N 2 1 368.525 3.176 20 30 FGEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000182891895 495744369 /nfs/dbraw/zinc/74/43/69/495744369.db2.gz MWUVLQIURKOETO-FQEVSTJZSA-N 2 1 354.542 3.090 20 30 FGEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000182891895 495744371 /nfs/dbraw/zinc/74/43/71/495744371.db2.gz MWUVLQIURKOETO-FQEVSTJZSA-N 2 1 354.542 3.090 20 30 FGEDMP N#CCCn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-c2ccccc2)n1 ZINC000172114414 496171103 /nfs/dbraw/zinc/17/11/03/496171103.db2.gz FJERTPGTVGDICP-UHFFFAOYSA-N 2 1 363.509 3.428 20 30 FGEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181569536 496450395 /nfs/dbraw/zinc/45/03/95/496450395.db2.gz PMIXGFBXBCWIJD-HSALFYBXSA-N 2 1 368.569 3.479 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000191507634 496789995 /nfs/dbraw/zinc/78/99/95/496789995.db2.gz XCACCXFMLQYTAW-OAHLLOKOSA-N 2 1 371.485 3.266 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000191507634 496789999 /nfs/dbraw/zinc/78/99/99/496789999.db2.gz XCACCXFMLQYTAW-OAHLLOKOSA-N 2 1 371.485 3.266 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000248594753 497051221 /nfs/dbraw/zinc/05/12/21/497051221.db2.gz SITCOVZQMMCRHO-VYDXJSESSA-N 2 1 372.513 3.338 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000248594753 497051224 /nfs/dbraw/zinc/05/12/24/497051224.db2.gz SITCOVZQMMCRHO-VYDXJSESSA-N 2 1 372.513 3.338 20 30 FGEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1sccc1C#N ZINC000274834502 497177964 /nfs/dbraw/zinc/17/79/64/497177964.db2.gz NDMXTRHURPNOSK-MAUKXSAKSA-N 2 1 368.506 3.058 20 30 FGEDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000278699431 497193826 /nfs/dbraw/zinc/19/38/26/497193826.db2.gz QQPUZFSXAOTDNM-UHFFFAOYSA-N 2 1 366.513 3.211 20 30 FGEDMP CC(C)[NH+]1CCN(C2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000270900168 497223020 /nfs/dbraw/zinc/22/30/20/497223020.db2.gz MJYNZFNZDAVFCR-UHFFFAOYSA-N 2 1 359.945 3.182 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(/C=C\C)cc2OC)CC1 ZINC000569351294 505914740 /nfs/dbraw/zinc/91/47/40/505914740.db2.gz XKJABESVSVRIOC-PRPIBZDOSA-N 2 1 374.525 3.098 20 30 FGEDMP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246480603 497748768 /nfs/dbraw/zinc/74/87/68/497748768.db2.gz ADFDEEIIHUNZPP-IXDOHACOSA-N 2 1 374.554 3.291 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246786582 497810782 /nfs/dbraw/zinc/81/07/82/497810782.db2.gz MBXRCFWYIAAZMQ-NNWRFLSQSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246786582 497810783 /nfs/dbraw/zinc/81/07/83/497810783.db2.gz MBXRCFWYIAAZMQ-NNWRFLSQSA-N 2 1 370.537 3.104 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246786582 497810786 /nfs/dbraw/zinc/81/07/86/497810786.db2.gz MBXRCFWYIAAZMQ-NNWRFLSQSA-N 2 1 370.537 3.104 20 30 FGEDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(C#N)o3)CC2)c1C ZINC000290480036 498567773 /nfs/dbraw/zinc/56/77/73/498567773.db2.gz NYUZTADOQPRFPS-UHFFFAOYSA-N 2 1 368.481 3.268 20 30 FGEDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(C#N)o3)CC2)c1C ZINC000290480036 498567780 /nfs/dbraw/zinc/56/77/80/498567780.db2.gz NYUZTADOQPRFPS-UHFFFAOYSA-N 2 1 368.481 3.268 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557671 499231467 /nfs/dbraw/zinc/23/14/67/499231467.db2.gz OWKOUSQTSIFYQM-YFXJRYMSSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557671 499231468 /nfs/dbraw/zinc/23/14/68/499231468.db2.gz OWKOUSQTSIFYQM-YFXJRYMSSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557671 499231470 /nfs/dbraw/zinc/23/14/70/499231470.db2.gz OWKOUSQTSIFYQM-YFXJRYMSSA-N 2 1 363.505 3.434 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000370557671 499231472 /nfs/dbraw/zinc/23/14/72/499231472.db2.gz OWKOUSQTSIFYQM-YFXJRYMSSA-N 2 1 363.505 3.434 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468242 499330691 /nfs/dbraw/zinc/33/06/91/499330691.db2.gz AJDHQTBUDCOANN-NRSPTQNISA-N 2 1 357.498 3.053 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468242 499330693 /nfs/dbraw/zinc/33/06/93/499330693.db2.gz AJDHQTBUDCOANN-NRSPTQNISA-N 2 1 357.498 3.053 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342840 499393609 /nfs/dbraw/zinc/39/36/09/499393609.db2.gz KSJDLWGQZUNEAS-QIJUGHKUSA-N 2 1 370.541 3.015 20 30 FGEDMP C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377407931 499687782 /nfs/dbraw/zinc/68/77/82/499687782.db2.gz CTDMVUCMINCBHD-FXAWDEMLSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411517833 499750425 /nfs/dbraw/zinc/75/04/25/499750425.db2.gz NQYUAPZEONNAQV-WMZOPIPTSA-N 2 1 354.498 3.129 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414953911 499848361 /nfs/dbraw/zinc/84/83/61/499848361.db2.gz SATGDEILNJFZKF-TZMCWYRMSA-N 2 1 369.303 3.253 20 30 FGEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)C[C@@H](C)O1 ZINC000426814909 500324108 /nfs/dbraw/zinc/32/41/08/500324108.db2.gz IUZVVRJFNCCLFN-IAGOWNOFSA-N 2 1 359.489 3.409 20 30 FGEDMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420303489 500437572 /nfs/dbraw/zinc/43/75/72/500437572.db2.gz NNTGWEJAPBQSJT-SFHVURJKSA-N 2 1 355.438 3.334 20 30 FGEDMP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420303489 500437573 /nfs/dbraw/zinc/43/75/73/500437573.db2.gz NNTGWEJAPBQSJT-SFHVURJKSA-N 2 1 355.438 3.334 20 30 FGEDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)C[C@H]1C ZINC000442827199 500631975 /nfs/dbraw/zinc/63/19/75/500631975.db2.gz KWKGMDIGDLMYOJ-KOUHRCEDSA-N 2 1 355.526 3.478 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000596148052 506280152 /nfs/dbraw/zinc/28/01/52/506280152.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000596148052 506280157 /nfs/dbraw/zinc/28/01/57/506280157.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000596148052 506280160 /nfs/dbraw/zinc/28/01/60/506280160.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 2 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@@H](C)C2)[nH+]1 ZINC000596148052 506280166 /nfs/dbraw/zinc/28/01/66/506280166.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[NH+](C)[C@@H](C)C2)[nH+]1 ZINC000596148052 506280168 /nfs/dbraw/zinc/28/01/68/506280168.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]1 ZINC000596148052 506280174 /nfs/dbraw/zinc/28/01/74/506280174.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 3 1 370.545 3.051 20 30 FGEDMP Cc1cc(N[C@@H]2CC[NH+](C)[C@H](C)C2)c(C#N)c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]1 ZINC000596148052 506280179 /nfs/dbraw/zinc/28/01/79/506280179.db2.gz YRAJCWNPSCLAAS-XDNAFOTISA-N 3 1 370.545 3.051 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299513 502366416 /nfs/dbraw/zinc/36/64/16/502366416.db2.gz ZZIHMUJWVMWGQK-QZTJIDSGSA-N 2 1 368.525 3.102 20 30 FGEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000507460942 503302533 /nfs/dbraw/zinc/30/25/33/503302533.db2.gz KDDNYOMYVSLOQX-AKIFATBCSA-N 2 1 361.489 3.437 20 30 FGEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596361447 506371937 /nfs/dbraw/zinc/37/19/37/506371937.db2.gz STWVSRHMAMVTDX-ZDUSSCGKSA-N 2 1 361.440 3.069 20 30 FGEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(C#N)cnc2c(F)cc(F)cc21 ZINC000596361447 506371943 /nfs/dbraw/zinc/37/19/43/506371943.db2.gz STWVSRHMAMVTDX-ZDUSSCGKSA-N 2 1 361.440 3.069 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527806781 503952930 /nfs/dbraw/zinc/95/29/30/503952930.db2.gz FMEDMQUESICJOR-JOCHJYFZSA-N 2 1 352.526 3.129 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527806781 503952936 /nfs/dbraw/zinc/95/29/36/503952936.db2.gz FMEDMQUESICJOR-JOCHJYFZSA-N 2 1 352.526 3.129 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000540989119 503966563 /nfs/dbraw/zinc/96/65/63/503966563.db2.gz VQVYQWOCXNVONY-HNAYVOBHSA-N 2 1 353.441 3.115 20 30 FGEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000559290142 504821524 /nfs/dbraw/zinc/82/15/24/504821524.db2.gz KBJJVCYHRQMPLF-INIZCTEOSA-N 2 1 367.472 3.085 20 30 FGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000554776453 505261854 /nfs/dbraw/zinc/26/18/54/505261854.db2.gz YJCRAYSGKXMJFC-HXUWFJFHSA-N 2 1 362.521 3.369 20 30 FGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000554776453 505261858 /nfs/dbraw/zinc/26/18/58/505261858.db2.gz YJCRAYSGKXMJFC-HXUWFJFHSA-N 2 1 362.521 3.369 20 30 FGEDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000603112339 506423523 /nfs/dbraw/zinc/42/35/23/506423523.db2.gz WYIWGJQGWOMXOZ-UHFFFAOYSA-N 2 1 353.470 3.306 20 30 FGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000603112339 506423526 /nfs/dbraw/zinc/42/35/26/506423526.db2.gz WYIWGJQGWOMXOZ-UHFFFAOYSA-N 2 1 353.470 3.306 20 30 FGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000589315666 506514831 /nfs/dbraw/zinc/51/48/31/506514831.db2.gz ONQXPXGECYNMTI-MSOLQXFVSA-N 2 1 367.415 3.044 20 30 FGEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000590777776 506948919 /nfs/dbraw/zinc/94/89/19/506948919.db2.gz FGTXJRWLVPSCKM-YPAWHYETSA-N 2 1 352.526 3.007 20 30 FGEDMP N#Cc1ccc2ncc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2c1 ZINC000611254601 507584030 /nfs/dbraw/zinc/58/40/30/507584030.db2.gz BCPXRVQOUOTXFT-UHFFFAOYSA-N 2 1 351.498 3.294 20 30 FGEDMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCC(C#N)CC2)c1)C1CCOCC1 ZINC000602530570 507738070 /nfs/dbraw/zinc/73/80/70/507738070.db2.gz HCPGBPKBAGLLLR-UHFFFAOYSA-N 2 1 371.525 3.348 20 30 FGEDMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1CCn2ccnc2C1 ZINC000330277784 568088609 /nfs/dbraw/zinc/08/86/09/568088609.db2.gz OUAFHJOHQCUQPH-QZTJIDSGSA-N 2 1 370.522 3.020 20 30 FGEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)N(C)Cc1ccc[nH]1 ZINC000262452309 713725957 /nfs/dbraw/zinc/72/59/57/713725957.db2.gz WGDLHHXTIWJYIF-MAUKXSAKSA-N 2 1 359.543 3.167 20 30 FGEDMP C[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000303876643 713789443 /nfs/dbraw/zinc/78/94/43/713789443.db2.gz ICGHILGGILZPJE-INIZCTEOSA-N 2 1 356.539 3.202 20 30 FGEDMP C[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)[N@H+]1CCc2sccc2C1 ZINC000303876643 713789445 /nfs/dbraw/zinc/78/94/45/713789445.db2.gz ICGHILGGILZPJE-INIZCTEOSA-N 2 1 356.539 3.202 20 30 FGEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000305034407 713792039 /nfs/dbraw/zinc/79/20/39/713792039.db2.gz RYUHCTBQFMLKAP-CYBMUJFWSA-N 2 1 358.408 3.290 20 30 FGEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000327990772 713824531 /nfs/dbraw/zinc/82/45/31/713824531.db2.gz LFTFATHRZJKBII-MRXNPFEDSA-N 2 1 351.288 3.208 20 30 FGEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000327990772 713824535 /nfs/dbraw/zinc/82/45/35/713824535.db2.gz LFTFATHRZJKBII-MRXNPFEDSA-N 2 1 351.288 3.208 20 30 FGEDMP CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CC[NH+](C)CC1 ZINC000879702113 737034505 /nfs/dbraw/zinc/03/45/05/737034505.db2.gz GMCMXFHQQHOFIF-UHFFFAOYSA-N 2 1 362.543 3.248 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OC ZINC000076763365 493965810 /nfs/dbraw/zinc/96/58/10/493965810.db2.gz VZIYBNOOEMJUGE-IBGZPJMESA-N 2 1 374.525 3.241 20 30 FGEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974957 494295706 /nfs/dbraw/zinc/29/57/06/494295706.db2.gz CUXKGSNBPSICME-RBUKOAKNSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974957 494295707 /nfs/dbraw/zinc/29/57/07/494295707.db2.gz CUXKGSNBPSICME-RBUKOAKNSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974957 494295710 /nfs/dbraw/zinc/29/57/10/494295710.db2.gz CUXKGSNBPSICME-RBUKOAKNSA-N 2 1 368.525 3.473 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000066960819 494445647 /nfs/dbraw/zinc/44/56/47/494445647.db2.gz UFTIOVXOCMPEGC-SFHVURJKSA-N 2 1 362.562 3.161 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000577602824 505762689 /nfs/dbraw/zinc/76/26/89/505762689.db2.gz PMSSWYBOQFSGLP-OAHLLOKOSA-N 2 1 373.324 3.363 20 30 FGEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135164384 495258329 /nfs/dbraw/zinc/25/83/29/495258329.db2.gz AKMQZRKTAVRERT-PMACEKPBSA-N 2 1 368.569 3.478 20 30 FGEDMP CCC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179948881 495796184 /nfs/dbraw/zinc/79/61/84/495796184.db2.gz HJWXXNCCULUBKV-UHFFFAOYSA-N 2 1 351.498 3.265 20 30 FGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000179948881 495796187 /nfs/dbraw/zinc/79/61/87/495796187.db2.gz HJWXXNCCULUBKV-UHFFFAOYSA-N 2 1 351.498 3.265 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000183148830 495855086 /nfs/dbraw/zinc/85/50/86/495855086.db2.gz RACREHOYDVTCED-HNNXBMFYSA-N 2 1 359.433 3.342 20 30 FGEDMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513717 496427524 /nfs/dbraw/zinc/42/75/24/496427524.db2.gz KTDGCRGWCJUGJU-WOJBJXKFSA-N 2 1 368.569 3.480 20 30 FGEDMP C#CCCOc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000178615183 496516892 /nfs/dbraw/zinc/51/68/92/496516892.db2.gz WVZGZLXLKNSKFZ-UHFFFAOYSA-N 2 1 364.493 3.254 20 30 FGEDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(OCC#N)cc3)CC2)nc(C)[nH+]1 ZINC000181862448 496576598 /nfs/dbraw/zinc/57/65/98/496576598.db2.gz OMUMSLITRQICMP-MRXNPFEDSA-N 2 1 365.481 3.315 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(OCC#N)cc1 ZINC000182257091 496720871 /nfs/dbraw/zinc/72/08/71/496720871.db2.gz DNXKQSNFTHIEAV-UWJYYQICSA-N 2 1 365.477 3.006 20 30 FGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(C#N)cc3F)CC2)oc1C ZINC000269412827 496941470 /nfs/dbraw/zinc/94/14/70/496941470.db2.gz JTJLBQVUAJPVGO-UHFFFAOYSA-N 2 1 356.445 3.304 20 30 FGEDMP CC(C)[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000236601417 497119143 /nfs/dbraw/zinc/11/91/43/497119143.db2.gz KEKWRPKQHRVXIA-UHFFFAOYSA-N 2 1 351.498 3.426 20 30 FGEDMP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246480589 497748576 /nfs/dbraw/zinc/74/85/76/497748576.db2.gz ADFDEEIIHUNZPP-IKGGRYGDSA-N 2 1 374.554 3.291 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000330295807 498096209 /nfs/dbraw/zinc/09/62/09/498096209.db2.gz JPKOFIRMAUACIY-SFHVURJKSA-N 2 1 359.518 3.283 20 30 FGEDMP Cc1cc(N2CCC(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000330295807 498096213 /nfs/dbraw/zinc/09/62/13/498096213.db2.gz JPKOFIRMAUACIY-SFHVURJKSA-N 2 1 359.518 3.283 20 30 FGEDMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352002 498520263 /nfs/dbraw/zinc/52/02/63/498520263.db2.gz GCYAYOAXOLIICQ-OALUTQOASA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352002 498520270 /nfs/dbraw/zinc/52/02/70/498520270.db2.gz GCYAYOAXOLIICQ-OALUTQOASA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OCCCC#N ZINC000290352002 498520273 /nfs/dbraw/zinc/52/02/73/498520273.db2.gz GCYAYOAXOLIICQ-OALUTQOASA-N 2 1 357.498 3.294 20 30 FGEDMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(C#N)cc3F)CC2)nc(C)[nH+]1 ZINC000332528186 498713533 /nfs/dbraw/zinc/71/35/33/498713533.db2.gz UBZBOHBKKCVPMV-CQSZACIVSA-N 2 1 353.445 3.424 20 30 FGEDMP N#Cc1cccc(OCC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940285 498764054 /nfs/dbraw/zinc/76/40/54/498764054.db2.gz PMQWZWFBWZPFIO-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940285 498764060 /nfs/dbraw/zinc/76/40/60/498764060.db2.gz PMQWZWFBWZPFIO-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000312940285 498764067 /nfs/dbraw/zinc/76/40/67/498764067.db2.gz PMQWZWFBWZPFIO-YADHBBJMSA-N 2 1 361.489 3.391 20 30 FGEDMP C[C@@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000329366479 499109359 /nfs/dbraw/zinc/10/93/59/499109359.db2.gz KLUIQNPSFQZZPV-APWZRJJASA-N 2 1 372.557 3.462 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCC[N@@H+]2CCc3ccccc3C2)O1 ZINC000373222022 499458259 /nfs/dbraw/zinc/45/82/59/499458259.db2.gz ANHLTZQCIWILHF-GXRSIYKFSA-N 2 1 353.510 3.264 20 30 FGEDMP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCC[N@H+]2CCc3ccccc3C2)O1 ZINC000373222022 499458260 /nfs/dbraw/zinc/45/82/60/499458260.db2.gz ANHLTZQCIWILHF-GXRSIYKFSA-N 2 1 353.510 3.264 20 30 FGEDMP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570417205 506163948 /nfs/dbraw/zinc/16/39/48/506163948.db2.gz UBUJVSCLPAEDLY-OALUTQOASA-N 2 1 374.554 3.029 20 30 FGEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437822499 500701487 /nfs/dbraw/zinc/70/14/87/500701487.db2.gz MMFZWEVDEOBLFH-KRWDZBQOSA-N 2 1 367.440 3.092 20 30 FGEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437822499 500701488 /nfs/dbraw/zinc/70/14/88/500701488.db2.gz MMFZWEVDEOBLFH-KRWDZBQOSA-N 2 1 367.440 3.092 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000482168870 501995418 /nfs/dbraw/zinc/99/54/18/501995418.db2.gz YDQXGRMSUQWFTE-RBUKOAKNSA-N 2 1 362.562 3.161 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000566107577 505083437 /nfs/dbraw/zinc/08/34/37/505083437.db2.gz NRZPHYVSDLKDIQ-HXUWFJFHSA-N 2 1 360.542 3.272 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000599657769 506557663 /nfs/dbraw/zinc/55/76/63/506557663.db2.gz LLZLMMUQLMFOFD-UWJYYQICSA-N 2 1 358.530 3.013 20 30 FGEDMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)CCCC2)CC1 ZINC000602548949 507746401 /nfs/dbraw/zinc/74/64/01/507746401.db2.gz XJNKQJNCRPAVBE-SFHVURJKSA-N 2 1 363.546 3.099 20 30 FGEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCSC2(CCCCC2)C1 ZINC000261941785 713716092 /nfs/dbraw/zinc/71/60/92/713716092.db2.gz MUFGCVLNUPHMNU-KRWDZBQOSA-N 2 1 364.603 3.188 20 30 FGEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1cccs1 ZINC000304807241 713792032 /nfs/dbraw/zinc/79/20/32/713792032.db2.gz SXAOBNQQPIXDAV-WMLDXEAASA-N 2 1 362.568 3.340 20 30 FGEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564593 493837652 /nfs/dbraw/zinc/83/76/52/493837652.db2.gz DJWMJPYWMOYEDE-RXVVDRJESA-N 2 1 362.562 3.017 20 30 FGEDMP C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@@H]1CCCC[NH+]1C ZINC000072725068 494241884 /nfs/dbraw/zinc/24/18/84/494241884.db2.gz LDNUFEXUHJVFPY-KRWDZBQOSA-N 2 1 362.905 3.346 20 30 FGEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725068 494241886 /nfs/dbraw/zinc/24/18/86/494241886.db2.gz LDNUFEXUHJVFPY-KRWDZBQOSA-N 2 1 362.905 3.346 20 30 FGEDMP C[NH+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000072725068 494241890 /nfs/dbraw/zinc/24/18/90/494241890.db2.gz LDNUFEXUHJVFPY-KRWDZBQOSA-N 2 1 362.905 3.346 20 30 FGEDMP N#CCCn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000093597086 494903098 /nfs/dbraw/zinc/90/30/98/494903098.db2.gz RFAQFGXYNMOEMG-IBGZPJMESA-N 2 1 363.509 3.381 20 30 FGEDMP N#CCCn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(-c2ccccc2)n1 ZINC000093597086 494903100 /nfs/dbraw/zinc/90/31/00/494903100.db2.gz RFAQFGXYNMOEMG-IBGZPJMESA-N 2 1 363.509 3.381 20 30 FGEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000580459108 505764699 /nfs/dbraw/zinc/76/46/99/505764699.db2.gz AZFIMUHQFISXNN-QZTJIDSGSA-N 2 1 373.504 3.452 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)n2c1 ZINC000123717697 495175265 /nfs/dbraw/zinc/17/52/65/495175265.db2.gz KEKGDSYWLHHZLL-SEJPIABJSA-N 2 1 371.488 3.491 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)n2c1 ZINC000123717697 495175268 /nfs/dbraw/zinc/17/52/68/495175268.db2.gz KEKGDSYWLHHZLL-SEJPIABJSA-N 2 1 371.488 3.491 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698668 495686016 /nfs/dbraw/zinc/68/60/16/495686016.db2.gz SITCOVZQMMCRHO-YQQAZPJKSA-N 2 1 372.513 3.338 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185698668 495686023 /nfs/dbraw/zinc/68/60/23/495686023.db2.gz SITCOVZQMMCRHO-YQQAZPJKSA-N 2 1 372.513 3.338 20 30 FGEDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915310 495745501 /nfs/dbraw/zinc/74/55/01/495745501.db2.gz QELPBEDLQIQDJL-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915310 495745509 /nfs/dbraw/zinc/74/55/09/495745509.db2.gz QELPBEDLQIQDJL-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915310 495745515 /nfs/dbraw/zinc/74/55/15/495745515.db2.gz QELPBEDLQIQDJL-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000173915310 495745518 /nfs/dbraw/zinc/74/55/18/495745518.db2.gz QELPBEDLQIQDJL-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP Cc1ccc(N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)[nH+]c1 ZINC000174430406 495956524 /nfs/dbraw/zinc/95/65/24/495956524.db2.gz GAJAWPKNBCHOFD-UHFFFAOYSA-N 2 1 363.509 3.499 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C[C@H](C)O1 ZINC000192061248 496981167 /nfs/dbraw/zinc/98/11/67/496981167.db2.gz LAKPKXIHIOXJPX-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287679 497684801 /nfs/dbraw/zinc/68/48/01/497684801.db2.gz CUXKGSNBPSICME-OALUTQOASA-N 2 1 368.525 3.473 20 30 FGEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410121 497743046 /nfs/dbraw/zinc/74/30/46/497743046.db2.gz AJFUJIGCJLQUKA-FQEVSTJZSA-N 2 1 354.498 3.083 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329680770 497868228 /nfs/dbraw/zinc/86/82/28/497868228.db2.gz RNEWUDMVGMWLLW-UKPHBRMFSA-N 2 1 361.534 3.256 20 30 FGEDMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329680770 497868235 /nfs/dbraw/zinc/86/82/35/497868235.db2.gz RNEWUDMVGMWLLW-UKPHBRMFSA-N 2 1 361.534 3.256 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000575248925 505950571 /nfs/dbraw/zinc/95/05/71/505950571.db2.gz YLUITEANVFTVKZ-INIZCTEOSA-N 2 1 373.324 3.363 20 30 FGEDMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1C#N ZINC000281598826 498206845 /nfs/dbraw/zinc/20/68/45/498206845.db2.gz FRCPCRSTOFALER-KRWDZBQOSA-N 2 1 365.477 3.077 20 30 FGEDMP COc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1C#N ZINC000281598826 498206850 /nfs/dbraw/zinc/20/68/50/498206850.db2.gz FRCPCRSTOFALER-KRWDZBQOSA-N 2 1 365.477 3.077 20 30 FGEDMP CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000328869494 498967476 /nfs/dbraw/zinc/96/74/76/498967476.db2.gz XRWSOKFLNLLBKF-QZTJIDSGSA-N 2 1 374.554 3.029 20 30 FGEDMP C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367622476 499219027 /nfs/dbraw/zinc/21/90/27/499219027.db2.gz HURUQTBDWYCDHF-HXUWFJFHSA-N 2 1 354.542 3.088 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)cc1F ZINC000367629248 499219358 /nfs/dbraw/zinc/21/93/58/499219358.db2.gz BTSPPNGDWXZYQR-VLIAUNLRSA-N 2 1 371.460 3.025 20 30 FGEDMP C=CCCC[C@@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371516440 499337171 /nfs/dbraw/zinc/33/71/71/499337171.db2.gz XTZQIBISEMAYOH-GOSISDBHSA-N 2 1 364.578 3.227 20 30 FGEDMP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000423577945 500386111 /nfs/dbraw/zinc/38/61/11/500386111.db2.gz TVHIDFLADJSRAO-KRWDZBQOSA-N 2 1 366.484 3.341 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420340198 500444904 /nfs/dbraw/zinc/44/49/04/500444904.db2.gz MUVFPLYHFGXFJP-DLBZAZTESA-N 2 1 359.539 3.225 20 30 FGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433319167 500671552 /nfs/dbraw/zinc/67/15/52/500671552.db2.gz NQJGYYPSRRIRCI-GOSISDBHSA-N 2 1 366.513 3.069 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437733161 500687452 /nfs/dbraw/zinc/68/74/52/500687452.db2.gz GACRNQCVTACRQK-FQEVSTJZSA-N 2 1 362.562 3.123 20 30 FGEDMP C=C[C@@H]1CCCCN1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000489441236 502958627 /nfs/dbraw/zinc/95/86/27/502958627.db2.gz QPLCVNZPKQETIK-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000489441236 502958636 /nfs/dbraw/zinc/95/86/36/502958636.db2.gz QPLCVNZPKQETIK-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000489441236 502958641 /nfs/dbraw/zinc/95/86/41/502958641.db2.gz QPLCVNZPKQETIK-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000489441236 502958646 /nfs/dbraw/zinc/95/86/46/502958646.db2.gz QPLCVNZPKQETIK-OAQYLSRUSA-N 2 1 355.526 3.070 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517743462 503823067 /nfs/dbraw/zinc/82/30/67/503823067.db2.gz ZBGBNMYPZPFZTG-QGZVFWFLSA-N 2 1 359.539 3.225 20 30 FGEDMP C=C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000534645194 504201617 /nfs/dbraw/zinc/20/16/17/504201617.db2.gz RDNFMAWOUJFKDK-KRWDZBQOSA-N 2 1 350.466 3.132 20 30 FGEDMP C=CCCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000535584163 504478318 /nfs/dbraw/zinc/47/83/18/504478318.db2.gz DWXVRZOCLYCREM-IBGZPJMESA-N 2 1 363.933 3.491 20 30 FGEDMP C=CCCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000535584163 504478323 /nfs/dbraw/zinc/47/83/23/504478323.db2.gz DWXVRZOCLYCREM-IBGZPJMESA-N 2 1 363.933 3.491 20 30 FGEDMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539495395 504589162 /nfs/dbraw/zinc/58/91/62/504589162.db2.gz PHIYKSJEGNHPFX-KDURUIRLSA-N 2 1 354.542 3.375 20 30 FGEDMP CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000598595615 507510754 /nfs/dbraw/zinc/51/07/54/507510754.db2.gz LAQBIEXMEIBMED-IBGZPJMESA-N 2 1 373.545 3.075 20 30 FGEDMP CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000598595615 507510760 /nfs/dbraw/zinc/51/07/60/507510760.db2.gz LAQBIEXMEIBMED-IBGZPJMESA-N 2 1 373.545 3.075 20 30 FGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC3(C#N)CCOCC3)CC2)oc1C ZINC000602539282 507741509 /nfs/dbraw/zinc/74/15/09/507741509.db2.gz IPAXJBHMJBRADC-INIZCTEOSA-N 2 1 374.529 3.192 20 30 FGEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1Cl ZINC000303869017 713789138 /nfs/dbraw/zinc/78/91/38/713789138.db2.gz ATXXAKIHTXTTRE-OKILXGFUSA-N 2 1 352.910 3.443 20 30 FGEDMP C=CC[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662663473 720450672 /nfs/dbraw/zinc/45/06/72/720450672.db2.gz HSNNTHIUOINTAT-AZUAARDMSA-N 2 1 361.917 3.291 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865453507 733204062 /nfs/dbraw/zinc/20/40/62/733204062.db2.gz FOJGAOZWVMHUGN-AWEZNQCLSA-N 2 1 365.440 3.072 20 30 FGEDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193973 739228360 /nfs/dbraw/zinc/22/83/60/739228360.db2.gz GLBCJKHUXYMTIY-QZTJIDSGSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193973 739228366 /nfs/dbraw/zinc/22/83/66/739228366.db2.gz GLBCJKHUXYMTIY-QZTJIDSGSA-N 2 1 361.555 3.255 20 30 FGEDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC3(C#N)CCC3)C2)s1 ZINC000886193973 739228368 /nfs/dbraw/zinc/22/83/68/739228368.db2.gz GLBCJKHUXYMTIY-QZTJIDSGSA-N 2 1 361.555 3.255 20 30 FGEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901254033 743243016 /nfs/dbraw/zinc/24/30/16/743243016.db2.gz BBENRSQQFLIKEM-CRAIPNDOSA-N 2 1 367.896 3.096 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974956 494295646 /nfs/dbraw/zinc/29/56/46/494295646.db2.gz CUXKGSNBPSICME-RTBURBONSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974956 494295649 /nfs/dbraw/zinc/29/56/49/494295649.db2.gz CUXKGSNBPSICME-RTBURBONSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072974956 494295652 /nfs/dbraw/zinc/29/56/52/494295652.db2.gz CUXKGSNBPSICME-RTBURBONSA-N 2 1 368.525 3.473 20 30 FGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C(F)(F)F)c1 ZINC000577564159 505752842 /nfs/dbraw/zinc/75/28/42/505752842.db2.gz WJKCWGBFVUFQEN-HNNXBMFYSA-N 2 1 367.415 3.168 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000580459107 505764571 /nfs/dbraw/zinc/76/45/71/505764571.db2.gz AZFIMUHQFISXNN-CYGODWOOSA-N 2 1 373.504 3.452 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000580459107 505764577 /nfs/dbraw/zinc/76/45/77/505764577.db2.gz AZFIMUHQFISXNN-CYGODWOOSA-N 2 1 373.504 3.452 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000158912426 495614280 /nfs/dbraw/zinc/61/42/80/495614280.db2.gz FZSWCPCMUYFVDR-IBGZPJMESA-N 2 1 374.573 3.306 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000158912426 495614286 /nfs/dbraw/zinc/61/42/86/495614286.db2.gz FZSWCPCMUYFVDR-IBGZPJMESA-N 2 1 374.573 3.306 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000158912426 495614289 /nfs/dbraw/zinc/61/42/89/495614289.db2.gz FZSWCPCMUYFVDR-IBGZPJMESA-N 2 1 374.573 3.306 20 30 FGEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCOc3cccc(C#N)c3)CC2)C[C@H](C)O1 ZINC000156030761 496138208 /nfs/dbraw/zinc/13/82/08/496138208.db2.gz QIBYCYUSBQLPEH-KDURUIRLSA-N 2 1 371.525 3.148 20 30 FGEDMP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1ccnc1 ZINC000247696120 496907590 /nfs/dbraw/zinc/90/75/90/496907590.db2.gz TYIQZRMOAKFUPZ-NVXWUHKLSA-N 2 1 369.494 3.020 20 30 FGEDMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1ccnc1 ZINC000247696120 496907595 /nfs/dbraw/zinc/90/75/95/496907595.db2.gz TYIQZRMOAKFUPZ-NVXWUHKLSA-N 2 1 369.494 3.020 20 30 FGEDMP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246480623 497748807 /nfs/dbraw/zinc/74/88/07/497748807.db2.gz ADFDEEIIHUNZPP-ZACQAIPSSA-N 2 1 374.554 3.291 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC#Cc3ccccc3)CC2)CC1 ZINC000364474266 497974839 /nfs/dbraw/zinc/97/48/39/497974839.db2.gz YCOKZCMXAWVZSZ-UHFFFAOYSA-N 3 1 353.554 3.166 20 30 FGEDMP C[C@H](C[NH+](C)CC#CC[N@H+](C)C[C@@H](C)c1nccs1)c1nccs1 ZINC000569632800 505980354 /nfs/dbraw/zinc/98/03/54/505980354.db2.gz MOVALISUIDEOPZ-HZPDHXFCSA-N 2 1 362.568 3.374 20 30 FGEDMP N#CC1(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000281370191 498124801 /nfs/dbraw/zinc/12/48/01/498124801.db2.gz OKFKILMHEUJWCL-OYRHEFFESA-N 2 1 353.510 3.151 20 30 FGEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000281370191 498124805 /nfs/dbraw/zinc/12/48/05/498124805.db2.gz OKFKILMHEUJWCL-OYRHEFFESA-N 2 1 353.510 3.151 20 30 FGEDMP N#CC1(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCOCC1 ZINC000281370191 498124810 /nfs/dbraw/zinc/12/48/10/498124810.db2.gz OKFKILMHEUJWCL-OYRHEFFESA-N 2 1 353.510 3.151 20 30 FGEDMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1C#N ZINC000281598833 498207491 /nfs/dbraw/zinc/20/74/91/498207491.db2.gz FRCPCRSTOFALER-QGZVFWFLSA-N 2 1 365.477 3.077 20 30 FGEDMP COc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1C#N ZINC000281598833 498207497 /nfs/dbraw/zinc/20/74/97/498207497.db2.gz FRCPCRSTOFALER-QGZVFWFLSA-N 2 1 365.477 3.077 20 30 FGEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(C#N)cccc1C#N ZINC000365558498 498532642 /nfs/dbraw/zinc/53/26/42/498532642.db2.gz SWPKPKYJTWWCGO-UHFFFAOYSA-N 2 1 365.525 3.062 20 30 FGEDMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000290402312 498538754 /nfs/dbraw/zinc/53/87/54/498538754.db2.gz JNJVUEKWQACLFY-FQEVSTJZSA-N 2 1 363.509 3.122 20 30 FGEDMP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000367427931 499197814 /nfs/dbraw/zinc/19/78/14/499197814.db2.gz FGUKNKGDJDAJSY-QGZVFWFLSA-N 2 1 357.498 3.053 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000369340925 499393226 /nfs/dbraw/zinc/39/32/26/499393226.db2.gz BFJCEVKJQXHHEI-BVYCBKJFSA-N 2 1 371.525 3.348 20 30 FGEDMP C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377407933 499687848 /nfs/dbraw/zinc/68/78/48/499687848.db2.gz CTDMVUCMINCBHD-XLIONFOSSA-N 2 1 359.477 3.206 20 30 FGEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCCCCC#N ZINC000588636764 506289961 /nfs/dbraw/zinc/28/99/61/506289961.db2.gz ZTKOBNTXGNOYKF-UHFFFAOYSA-N 2 1 362.562 3.115 20 30 FGEDMP CC1(C)CCC[N@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463238926 502732938 /nfs/dbraw/zinc/73/29/38/502732938.db2.gz YROVJTLGZRHURK-UHFFFAOYSA-N 2 1 354.542 3.234 20 30 FGEDMP CC1(C)CCC[N@@H+](CCNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463238926 502732944 /nfs/dbraw/zinc/73/29/44/502732944.db2.gz YROVJTLGZRHURK-UHFFFAOYSA-N 2 1 354.542 3.234 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000539498219 504590802 /nfs/dbraw/zinc/59/08/02/504590802.db2.gz KRLGCTCZBNDGGD-MOPGFXCFSA-N 2 1 354.542 3.375 20 30 FGEDMP C[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000539498219 504590805 /nfs/dbraw/zinc/59/08/05/504590805.db2.gz KRLGCTCZBNDGGD-MOPGFXCFSA-N 2 1 354.542 3.375 20 30 FGEDMP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1C#N ZINC000559797328 504929167 /nfs/dbraw/zinc/92/91/67/504929167.db2.gz OPRTZWCIJBVATG-UHFFFAOYSA-N 2 1 350.466 3.479 20 30 FGEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000557394201 505124141 /nfs/dbraw/zinc/12/41/41/505124141.db2.gz LRGQYFAZUMYGQL-HXUWFJFHSA-N 2 1 354.542 3.485 20 30 FGEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)C1 ZINC000609672918 506968905 /nfs/dbraw/zinc/96/89/05/506968905.db2.gz XVHJKNRYKZYLNB-QHCPKHFHSA-N 2 1 374.532 3.437 20 30 FGEDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)C1 ZINC000609672918 506968908 /nfs/dbraw/zinc/96/89/08/506968908.db2.gz XVHJKNRYKZYLNB-QHCPKHFHSA-N 2 1 374.532 3.437 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594781 507510403 /nfs/dbraw/zinc/51/04/03/507510403.db2.gz JSSFSHBMYHRXTG-IFMALSPDSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000598594781 507510409 /nfs/dbraw/zinc/51/04/09/507510409.db2.gz JSSFSHBMYHRXTG-IFMALSPDSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000598594781 507510416 /nfs/dbraw/zinc/51/04/16/507510416.db2.gz JSSFSHBMYHRXTG-IFMALSPDSA-N 2 1 355.526 3.275 20 30 FGEDMP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128677622 700778219 /nfs/dbraw/zinc/77/82/19/700778219.db2.gz JSUFESAOXNOCLD-SFHVURJKSA-N 2 1 365.949 3.496 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180490122 705743164 /nfs/dbraw/zinc/74/31/64/705743164.db2.gz GTCATBRRCVJGQC-FUHWJXTLSA-N 2 1 351.535 3.310 20 30 FGEDMP C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256530 720405507 /nfs/dbraw/zinc/40/55/07/720405507.db2.gz IXOWSCNGMJNELD-OAHLLOKOSA-N 2 1 369.278 3.097 20 30 FGEDMP C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662256530 720405513 /nfs/dbraw/zinc/40/55/13/720405513.db2.gz IXOWSCNGMJNELD-OAHLLOKOSA-N 2 1 369.278 3.097 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662447887 720429413 /nfs/dbraw/zinc/42/94/13/720429413.db2.gz CBJCQZXJHUXLBK-MRXNPFEDSA-N 2 1 356.297 3.021 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)C(=O)OCC)C2)CC1 ZINC000772879860 723770552 /nfs/dbraw/zinc/77/05/52/723770552.db2.gz OFBRAZLJEDBTCO-DOTOQJQBSA-N 2 1 358.473 3.374 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819024794 727339237 /nfs/dbraw/zinc/33/92/37/727339237.db2.gz VMLSQIULVGKHHM-KRWDZBQOSA-N 2 1 353.304 3.113 20 30 FGEDMP COCC[N@@H+](C)CCCC1CCN(Cc2cc(C#N)cnc2Cl)CC1 ZINC000876779203 736143419 /nfs/dbraw/zinc/14/34/19/736143419.db2.gz XMUGNDHECJQCKG-UHFFFAOYSA-N 2 1 364.921 3.177 20 30 FGEDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876779203 736143424 /nfs/dbraw/zinc/14/34/24/736143424.db2.gz XMUGNDHECJQCKG-UHFFFAOYSA-N 2 1 364.921 3.177 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876779203 736143427 /nfs/dbraw/zinc/14/34/27/736143427.db2.gz XMUGNDHECJQCKG-UHFFFAOYSA-N 2 1 364.921 3.177 20 30 FGEDMP Cc1cc(N2CCC([N@H+](C)Cc3cc(C#N)ccc3F)CC2)nc(C)[nH+]1 ZINC000080982607 493807868 /nfs/dbraw/zinc/80/78/68/493807868.db2.gz GDOYYEDIHYJELW-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP Cc1cc(N2CCC([N@@H+](C)Cc3cc(C#N)ccc3F)CC2)nc(C)[nH+]1 ZINC000080982607 493807871 /nfs/dbraw/zinc/80/78/71/493807871.db2.gz GDOYYEDIHYJELW-UHFFFAOYSA-N 2 1 353.445 3.205 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000114197236 495353433 /nfs/dbraw/zinc/35/34/33/495353433.db2.gz GQBLOXRAEFESML-NRFANRHFSA-N 2 1 368.525 3.107 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000106263990 495440982 /nfs/dbraw/zinc/44/09/82/495440982.db2.gz YLCLZYGREUWKIU-KDURUIRLSA-N 2 1 364.578 3.084 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185670956 495672109 /nfs/dbraw/zinc/67/21/09/495672109.db2.gz GYHCRPBQBWVAFN-WMZOPIPTSA-N 2 1 354.498 3.129 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185712888 495693071 /nfs/dbraw/zinc/69/30/71/495693071.db2.gz ICVVGFHSBWSBKP-ZBFHGGJFSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185712888 495693072 /nfs/dbraw/zinc/69/30/72/495693072.db2.gz ICVVGFHSBWSBKP-ZBFHGGJFSA-N 2 1 374.916 3.393 20 30 FGEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720614 495697587 /nfs/dbraw/zinc/69/75/87/495697587.db2.gz ZFHKCLTXIXHMLF-RBUKOAKNSA-N 2 1 368.525 3.176 20 30 FGEDMP C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720614 495697590 /nfs/dbraw/zinc/69/75/90/495697590.db2.gz ZFHKCLTXIXHMLF-RBUKOAKNSA-N 2 1 368.525 3.176 20 30 FGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180171719 495890638 /nfs/dbraw/zinc/89/06/38/495890638.db2.gz DJWZRWAOBSWGPX-GOSISDBHSA-N 2 1 351.498 3.169 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H](C)C1 ZINC000180194805 495900196 /nfs/dbraw/zinc/90/01/96/495900196.db2.gz JCKLUZZFLPFKDQ-UZLBHIALSA-N 2 1 351.498 3.121 20 30 FGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@H](C)C1 ZINC000265205867 497071876 /nfs/dbraw/zinc/07/18/76/497071876.db2.gz SLZCEMANZWLMHB-DENIHFKCSA-N 2 1 372.557 3.263 20 30 FGEDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000271020034 497246791 /nfs/dbraw/zinc/24/67/91/497246791.db2.gz JAGIHIBFAYXBAJ-UHFFFAOYSA-N 2 1 359.514 3.159 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000569716015 506000118 /nfs/dbraw/zinc/00/01/18/506000118.db2.gz ZDOBXBOMVOOHBT-JXFKEZNVSA-N 2 1 366.933 3.409 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cn1 ZINC000285953990 498251207 /nfs/dbraw/zinc/25/12/07/498251207.db2.gz GHZHOSXZTLQHSG-UHFFFAOYSA-N 2 1 372.476 3.206 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000363947805 499062708 /nfs/dbraw/zinc/06/27/08/499062708.db2.gz XTUZWIQLAUWZFM-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000329219911 499075496 /nfs/dbraw/zinc/07/54/96/499075496.db2.gz BCALOVQCXSIELG-ROUUACIJSA-N 2 1 374.529 3.170 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468239 499330807 /nfs/dbraw/zinc/33/08/07/499330807.db2.gz AJDHQTBUDCOANN-GIVPXCGWSA-N 2 1 357.498 3.053 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468239 499330809 /nfs/dbraw/zinc/33/08/09/499330809.db2.gz AJDHQTBUDCOANN-GIVPXCGWSA-N 2 1 357.498 3.053 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000369342838 499393693 /nfs/dbraw/zinc/39/36/93/499393693.db2.gz KSJDLWGQZUNEAS-BVYCBKJFSA-N 2 1 370.541 3.015 20 30 FGEDMP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480974160 502717559 /nfs/dbraw/zinc/71/75/59/502717559.db2.gz WLTMTZHIQDOKEH-INIZCTEOSA-N 2 1 374.554 3.293 20 30 FGEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000507460944 503302392 /nfs/dbraw/zinc/30/23/92/503302392.db2.gz KDDNYOMYVSLOQX-MDNUFGMLSA-N 2 1 361.489 3.437 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000516175335 503462339 /nfs/dbraw/zinc/46/23/39/503462339.db2.gz LGQISIYUSFWVDU-GOSISDBHSA-N 2 1 356.432 3.239 20 30 FGEDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@@H](C)O1 ZINC000512426088 503547103 /nfs/dbraw/zinc/54/71/03/503547103.db2.gz DVHYFKDDMJGUJT-IAGOWNOFSA-N 2 1 359.489 3.409 20 30 FGEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000532949942 503672149 /nfs/dbraw/zinc/67/21/49/503672149.db2.gz ORJCOMUWUOKWOE-IBGZPJMESA-N 2 1 370.541 3.374 20 30 FGEDMP C=C[C@@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000534694696 504217476 /nfs/dbraw/zinc/21/74/76/504217476.db2.gz DHXYVSWYDJNUAJ-PZJWPPBQSA-N 2 1 357.542 3.221 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000551184657 505173651 /nfs/dbraw/zinc/17/36/51/505173651.db2.gz MMDWHIFPSRAUOM-UHFFFAOYSA-N 2 1 370.278 3.421 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000567160474 505381345 /nfs/dbraw/zinc/38/13/45/505381345.db2.gz KVVAXBUBNMZNKT-INIZCTEOSA-N 2 1 373.324 3.363 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562061276 505507387 /nfs/dbraw/zinc/50/73/87/505507387.db2.gz IYTAMNSAAIIAGH-KSEOMHKRSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562061276 505507390 /nfs/dbraw/zinc/50/73/90/505507390.db2.gz IYTAMNSAAIIAGH-KSEOMHKRSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562061276 505507392 /nfs/dbraw/zinc/50/73/92/505507392.db2.gz IYTAMNSAAIIAGH-KSEOMHKRSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000562061276 505507396 /nfs/dbraw/zinc/50/73/96/505507396.db2.gz IYTAMNSAAIIAGH-KSEOMHKRSA-N 2 1 369.553 3.253 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000582840392 506449705 /nfs/dbraw/zinc/44/97/05/506449705.db2.gz VEILPDUPYZXBMV-BEFAXECRSA-N 2 1 352.906 3.019 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000599659833 506559863 /nfs/dbraw/zinc/55/98/63/506559863.db2.gz KKMLQRNUGXYRHK-KRWDZBQOSA-N 2 1 364.493 3.469 20 30 FGEDMP CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662101 506563725 /nfs/dbraw/zinc/56/37/25/506563725.db2.gz YMTPSXLSAWPJNR-UHFFFAOYSA-N 2 1 364.493 3.471 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594441532 507135440 /nfs/dbraw/zinc/13/54/40/507135440.db2.gz SJMUTTFEHKFXGB-XLIONFOSSA-N 2 1 356.514 3.088 20 30 FGEDMP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000594500278 507157604 /nfs/dbraw/zinc/15/76/04/507157604.db2.gz LJESBIKJQJAHHE-QFIPXVFZSA-N 2 1 363.505 3.344 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000602535820 507740724 /nfs/dbraw/zinc/74/07/24/507740724.db2.gz UANSKKUXLAIBGU-CTNGQTDRSA-N 2 1 355.526 3.240 20 30 FGEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1cccs1 ZINC000304780615 713791834 /nfs/dbraw/zinc/79/18/34/713791834.db2.gz FZKCBSAJBZTJQN-PKOBYXMFSA-N 2 1 356.539 3.278 20 30 FGEDMP C=CC[C@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CCC[NH2+]1 ZINC000662796263 720459186 /nfs/dbraw/zinc/45/91/86/720459186.db2.gz JVZOSUGGGPVONR-QGZVFWFLSA-N 2 1 366.303 3.148 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000876890818 736158416 /nfs/dbraw/zinc/15/84/16/736158416.db2.gz JYWLWERPSDKGQK-BBWFWOEESA-N 2 1 371.859 3.075 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000876890818 736158419 /nfs/dbraw/zinc/15/84/19/736158419.db2.gz JYWLWERPSDKGQK-BBWFWOEESA-N 2 1 371.859 3.075 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000577215725 505689675 /nfs/dbraw/zinc/68/96/75/505689675.db2.gz LBDNHQCYVOZNKC-IFMALSPDSA-N 2 1 358.526 3.072 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000112631536 495214865 /nfs/dbraw/zinc/21/48/65/495214865.db2.gz WEWLHXQLIGYVJT-QGZVFWFLSA-N 2 1 356.514 3.329 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc1OC ZINC000104191369 495270820 /nfs/dbraw/zinc/27/08/20/495270820.db2.gz MAKYYCUCIGPJHA-MRXNPFEDSA-N 2 1 372.469 3.169 20 30 FGEDMP Cc1cc(N2CCC([N@H+](C)CC#Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000125302179 495422990 /nfs/dbraw/zinc/42/29/90/495422990.db2.gz CORZOMZYSPCRDU-UHFFFAOYSA-N 2 1 352.457 3.185 20 30 FGEDMP Cc1cc(N2CCC([N@@H+](C)CC#Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000125302179 495422992 /nfs/dbraw/zinc/42/29/92/495422992.db2.gz CORZOMZYSPCRDU-UHFFFAOYSA-N 2 1 352.457 3.185 20 30 FGEDMP Cn1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180182752 495894939 /nfs/dbraw/zinc/89/49/39/495894939.db2.gz VNTNSARPLWRKGQ-OAQYLSRUSA-N 2 1 363.509 3.409 20 30 FGEDMP Cn1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180182752 495894945 /nfs/dbraw/zinc/89/49/45/495894945.db2.gz VNTNSARPLWRKGQ-OAQYLSRUSA-N 2 1 363.509 3.409 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000174666941 496052421 /nfs/dbraw/zinc/05/24/21/496052421.db2.gz DLVOFUFGJWZBKH-OAQYLSRUSA-N 2 1 355.526 3.198 20 30 FGEDMP C[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCC(C)CC1 ZINC000181624252 496475181 /nfs/dbraw/zinc/47/51/81/496475181.db2.gz RNGRVBWVJNYOGO-LJQANCHMSA-N 2 1 354.542 3.233 20 30 FGEDMP Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248009117 496942945 /nfs/dbraw/zinc/94/29/45/496942945.db2.gz LCJIDRROAJSZCW-IRFCIJBXSA-N 2 1 368.525 3.046 20 30 FGEDMP CCC[NH+]1CCC([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279432562 497437899 /nfs/dbraw/zinc/43/78/99/497437899.db2.gz QMLRHCAMMOZMQE-UHFFFAOYSA-N 2 1 366.513 3.165 20 30 FGEDMP CCC[NH+]1CCC([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000279432562 497437903 /nfs/dbraw/zinc/43/79/03/497437903.db2.gz QMLRHCAMMOZMQE-UHFFFAOYSA-N 2 1 366.513 3.165 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245665269 497493678 /nfs/dbraw/zinc/49/36/78/497493678.db2.gz GUEAVWOMMPJAIM-SUMWQHHRSA-N 2 1 361.852 3.294 20 30 FGEDMP CC(C)[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272336364 497600584 /nfs/dbraw/zinc/60/05/84/497600584.db2.gz XQRBGEUZPOEGDO-UHFFFAOYSA-N 2 1 351.498 3.263 20 30 FGEDMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272336364 497600587 /nfs/dbraw/zinc/60/05/87/497600587.db2.gz XQRBGEUZPOEGDO-UHFFFAOYSA-N 2 1 351.498 3.263 20 30 FGEDMP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OCCCC#N ZINC000246785647 497810859 /nfs/dbraw/zinc/81/08/59/497810859.db2.gz QIYSXMCIXAVHNP-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000246785647 497810860 /nfs/dbraw/zinc/81/08/60/497810860.db2.gz QIYSXMCIXAVHNP-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OCCCC#N ZINC000246785647 497810861 /nfs/dbraw/zinc/81/08/61/497810861.db2.gz QIYSXMCIXAVHNP-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OCCCC#N ZINC000246785647 497810862 /nfs/dbraw/zinc/81/08/62/497810862.db2.gz QIYSXMCIXAVHNP-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OCCCC#N ZINC000246785647 497810863 /nfs/dbraw/zinc/81/08/63/497810863.db2.gz QIYSXMCIXAVHNP-RTBURBONSA-N 2 1 357.498 3.294 20 30 FGEDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000282543765 498552675 /nfs/dbraw/zinc/55/26/75/498552675.db2.gz RRJMUWDGPAKDPI-FGZHOGPDSA-N 2 1 363.505 3.482 20 30 FGEDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000282543765 498552680 /nfs/dbraw/zinc/55/26/80/498552680.db2.gz RRJMUWDGPAKDPI-FGZHOGPDSA-N 2 1 363.505 3.482 20 30 FGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000367427930 499197838 /nfs/dbraw/zinc/19/78/38/499197838.db2.gz FGUKNKGDJDAJSY-KRWDZBQOSA-N 2 1 357.498 3.053 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439189 499198985 /nfs/dbraw/zinc/19/89/85/499198985.db2.gz SAQANBNBKNUHSD-DYESRHJHSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000367439189 499198986 /nfs/dbraw/zinc/19/89/86/499198986.db2.gz SAQANBNBKNUHSD-DYESRHJHSA-N 2 1 359.477 3.206 20 30 FGEDMP COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235628 499200447 /nfs/dbraw/zinc/20/04/47/499200447.db2.gz HITUQZCMBIJMST-OALUTQOASA-N 2 1 366.465 3.429 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000582122882 506138797 /nfs/dbraw/zinc/13/87/97/506138797.db2.gz KCUHQSPQSGOOTH-KRWDZBQOSA-N 2 1 366.513 3.077 20 30 FGEDMP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000369341715 499393207 /nfs/dbraw/zinc/39/32/07/499393207.db2.gz GBSQMDNUAVKWOG-BVYCBKJFSA-N 2 1 356.510 3.068 20 30 FGEDMP C=CC[C@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375641212 499540473 /nfs/dbraw/zinc/54/04/73/499540473.db2.gz QNJCTOVFMJYSPZ-IBGZPJMESA-N 2 1 364.578 3.179 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423012654 500331058 /nfs/dbraw/zinc/33/10/58/500331058.db2.gz DKFKAINLHIPDEG-ZLNRFVROSA-N 2 1 361.489 3.472 20 30 FGEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1C#N ZINC000431805167 500427104 /nfs/dbraw/zinc/42/71/04/500427104.db2.gz QFUJSRGTALBKEQ-UHFFFAOYSA-N 2 1 358.505 3.330 20 30 FGEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229931 500820530 /nfs/dbraw/zinc/82/05/30/500820530.db2.gz XVLXKYCXKLHKQP-HZPDHXFCSA-N 2 1 360.527 3.045 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)C1(C#N)CCCCC1 ZINC000482168869 501995567 /nfs/dbraw/zinc/99/55/67/501995567.db2.gz YDQXGRMSUQWFTE-OALUTQOASA-N 2 1 362.562 3.161 20 30 FGEDMP C=C(C)CN(CC)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489656724 503006052 /nfs/dbraw/zinc/00/60/52/503006052.db2.gz CSUYZRBNJNDMBV-UHFFFAOYSA-N 2 1 357.542 3.255 20 30 FGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544012 503193266 /nfs/dbraw/zinc/19/32/66/503193266.db2.gz LOTVMRKRRXQJKM-OXQOHEQNSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544012 503193270 /nfs/dbraw/zinc/19/32/70/503193270.db2.gz LOTVMRKRRXQJKM-OXQOHEQNSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544012 503193273 /nfs/dbraw/zinc/19/32/73/503193273.db2.gz LOTVMRKRRXQJKM-OXQOHEQNSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544012 503193277 /nfs/dbraw/zinc/19/32/77/503193277.db2.gz LOTVMRKRRXQJKM-OXQOHEQNSA-N 2 1 351.498 3.263 20 30 FGEDMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(C#N)cs3)CC2)cs1 ZINC000516516546 503525473 /nfs/dbraw/zinc/52/54/73/503525473.db2.gz VUQXQULNQKNPIN-UHFFFAOYSA-N 2 1 361.540 3.035 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000542880808 504645975 /nfs/dbraw/zinc/64/59/75/504645975.db2.gz VPYJKSLNMWECBP-MRUHUIDDSA-N 2 1 367.497 3.274 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000567042404 505346709 /nfs/dbraw/zinc/34/67/09/505346709.db2.gz CIVBVVXHOGGLNF-QGZVFWFLSA-N 2 1 352.906 3.018 20 30 FGEDMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000603109720 506422164 /nfs/dbraw/zinc/42/21/64/506422164.db2.gz FVFQMSOCYUISNG-UHFFFAOYSA-N 2 1 374.554 3.439 20 30 FGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1SCC#N ZINC000603109720 506422172 /nfs/dbraw/zinc/42/21/72/506422172.db2.gz FVFQMSOCYUISNG-UHFFFAOYSA-N 2 1 374.554 3.439 20 30 FGEDMP Cc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cc1C#N ZINC000600709543 507077162 /nfs/dbraw/zinc/07/71/62/507077162.db2.gz KWEMFRLXZBWTLD-UHFFFAOYSA-N 2 1 363.509 3.436 20 30 FGEDMP CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000598595619 507511222 /nfs/dbraw/zinc/51/12/22/507511222.db2.gz LAQBIEXMEIBMED-LJQANCHMSA-N 2 1 373.545 3.075 20 30 FGEDMP CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000598595619 507511230 /nfs/dbraw/zinc/51/12/30/507511230.db2.gz LAQBIEXMEIBMED-LJQANCHMSA-N 2 1 373.545 3.075 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000598617518 507520017 /nfs/dbraw/zinc/52/00/17/507520017.db2.gz JOVMRLXVHNVRAY-HXUWFJFHSA-N 2 1 355.526 3.275 20 30 FGEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000592183600 507527321 /nfs/dbraw/zinc/52/73/21/507527321.db2.gz KQSZCUKLGMTSLM-FQEVSTJZSA-N 2 1 368.525 3.055 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823789650 729305191 /nfs/dbraw/zinc/30/51/91/729305191.db2.gz NVGFWRAIEZUUAO-KRWDZBQOSA-N 2 1 353.551 3.413 20 30 FGEDMP CN(C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1(C#N)CCCCC1 ZINC000048565139 493837755 /nfs/dbraw/zinc/83/77/55/493837755.db2.gz BIKWQCBSARHKAG-UHFFFAOYSA-N 2 1 374.573 3.259 20 30 FGEDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000109786992 494917569 /nfs/dbraw/zinc/91/75/69/494917569.db2.gz HIQATHXZKSNBNA-UHFFFAOYSA-N 2 1 374.554 3.243 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000106034059 495404845 /nfs/dbraw/zinc/40/48/45/495404845.db2.gz ZAYOJUPYFSPBEL-FQEVSTJZSA-N 2 1 355.526 3.055 20 30 FGEDMP Cc1ccc(N2CCC([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)[nH+]c1 ZINC000174430549 495956512 /nfs/dbraw/zinc/95/65/12/495956512.db2.gz AFRNVLVACBAINS-KRWDZBQOSA-N 2 1 350.466 3.440 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000174666927 496052989 /nfs/dbraw/zinc/05/29/89/496052989.db2.gz DLVOFUFGJWZBKH-NRFANRHFSA-N 2 1 355.526 3.198 20 30 FGEDMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)c2)CC1 ZINC000574710886 505838543 /nfs/dbraw/zinc/83/85/43/505838543.db2.gz UMWVDBFRZXXGLI-UHFFFAOYSA-N 2 1 374.492 3.123 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179252641 496721093 /nfs/dbraw/zinc/72/10/93/496721093.db2.gz GUEAVWOMMPJAIM-DYVFJYSZSA-N 2 1 361.852 3.294 20 30 FGEDMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OCCCC#N ZINC000264376325 496885175 /nfs/dbraw/zinc/88/51/75/496885175.db2.gz NCFRJENISZINBE-MRXNPFEDSA-N 2 1 356.470 3.309 20 30 FGEDMP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1ccnc1 ZINC000247696119 496907788 /nfs/dbraw/zinc/90/77/88/496907788.db2.gz TYIQZRMOAKFUPZ-DOTOQJQBSA-N 2 1 369.494 3.020 20 30 FGEDMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1ccnc1 ZINC000247696119 496907791 /nfs/dbraw/zinc/90/77/91/496907791.db2.gz TYIQZRMOAKFUPZ-DOTOQJQBSA-N 2 1 369.494 3.020 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000272752626 497720270 /nfs/dbraw/zinc/72/02/70/497720270.db2.gz NYWYSYYIBTZIHD-MGPUTAFESA-N 2 1 353.441 3.115 20 30 FGEDMP CCC[N@H+](Cc1ccc(C#N)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000581202439 505932788 /nfs/dbraw/zinc/93/27/88/505932788.db2.gz XAFKSBFELSCLQD-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP CCC[N@@H+](Cc1ccc(C#N)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000581202439 505932790 /nfs/dbraw/zinc/93/27/90/505932790.db2.gz XAFKSBFELSCLQD-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675177 498168403 /nfs/dbraw/zinc/16/84/03/498168403.db2.gz ULOXFQZPDHHFTL-PKTZIBPZSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675177 498168388 /nfs/dbraw/zinc/16/83/88/498168388.db2.gz ULOXFQZPDHHFTL-PKTZIBPZSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675177 498168395 /nfs/dbraw/zinc/16/83/95/498168395.db2.gz ULOXFQZPDHHFTL-PKTZIBPZSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675177 498168397 /nfs/dbraw/zinc/16/83/97/498168397.db2.gz ULOXFQZPDHHFTL-PKTZIBPZSA-N 2 1 361.489 3.190 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000569716016 506000142 /nfs/dbraw/zinc/00/01/42/506000142.db2.gz ZDOBXBOMVOOHBT-OXJNMPFZSA-N 2 1 366.933 3.409 20 30 FGEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1Cl ZINC000331408791 498322154 /nfs/dbraw/zinc/32/21/54/498322154.db2.gz OXNBDNQONCPVKO-UHFFFAOYSA-N 2 1 374.916 3.491 20 30 FGEDMP COC(=O)[C@H](c1cccc(C#N)c1)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235627 499200281 /nfs/dbraw/zinc/20/02/81/499200281.db2.gz HITUQZCMBIJMST-MOPGFXCFSA-N 2 1 366.465 3.429 20 30 FGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1OC ZINC000367611353 499217612 /nfs/dbraw/zinc/21/76/12/499217612.db2.gz BUWTXQTYKAADTF-HCXYKTFWSA-N 2 1 357.498 3.339 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C)cc1F ZINC000367629246 499219445 /nfs/dbraw/zinc/21/94/45/499219445.db2.gz BTSPPNGDWXZYQR-JLTOFOAXSA-N 2 1 371.460 3.025 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000371497099 499334706 /nfs/dbraw/zinc/33/47/06/499334706.db2.gz IYSIFPMHDDIHNH-SIKLNZKXSA-N 2 1 367.537 3.016 20 30 FGEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000375594677 499536051 /nfs/dbraw/zinc/53/60/51/499536051.db2.gz BPZUMNFEABHFPK-FGZHOGPDSA-N 2 1 354.542 3.174 20 30 FGEDMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000376167074 499588316 /nfs/dbraw/zinc/58/83/16/499588316.db2.gz PFSFRKAGSOYLKO-SFHVURJKSA-N 3 1 354.542 3.405 20 30 FGEDMP C#CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377899262 499746353 /nfs/dbraw/zinc/74/63/53/499746353.db2.gz DPJAVWQWSZBIAH-UHFFFAOYSA-N 2 1 363.505 3.233 20 30 FGEDMP C#CCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377899262 499746355 /nfs/dbraw/zinc/74/63/55/499746355.db2.gz DPJAVWQWSZBIAH-UHFFFAOYSA-N 2 1 363.505 3.233 20 30 FGEDMP C=C(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)c(F)c1 ZINC000411555928 499762782 /nfs/dbraw/zinc/76/27/82/499762782.db2.gz OGCGRFHBDYVYKP-HXUWFJFHSA-N 2 1 365.468 3.161 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420340600 500444605 /nfs/dbraw/zinc/44/46/05/500444605.db2.gz MUVFPLYHFGXFJP-SJORKVTESA-N 2 1 359.539 3.225 20 30 FGEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439447181 500897967 /nfs/dbraw/zinc/89/79/67/500897967.db2.gz FRZNUUNNYIUVFQ-UHFFFAOYSA-N 2 1 360.933 3.202 20 30 FGEDMP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000480974161 502717670 /nfs/dbraw/zinc/71/76/70/502717670.db2.gz WLTMTZHIQDOKEH-MRXNPFEDSA-N 2 1 374.554 3.293 20 30 FGEDMP Cc1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000512479594 503566627 /nfs/dbraw/zinc/56/66/27/503566627.db2.gz HPNWCEABCPGYCV-XMMPIXPASA-N 2 1 374.532 3.259 20 30 FGEDMP Cc1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)ccc1C#N ZINC000512479594 503566630 /nfs/dbraw/zinc/56/66/30/503566630.db2.gz HPNWCEABCPGYCV-XMMPIXPASA-N 2 1 374.532 3.259 20 30 FGEDMP C=C(C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cnn(C(C)C)c1 ZINC000512527570 503577314 /nfs/dbraw/zinc/57/73/14/503577314.db2.gz USZPAPIHNYYSDC-UHFFFAOYSA-N 2 1 361.578 3.258 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C(C)C ZINC000520704656 504560855 /nfs/dbraw/zinc/56/08/55/504560855.db2.gz WTDWBVORGSWWHO-AZUAARDMSA-N 2 1 362.562 3.001 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 ZINC000542880806 504644140 /nfs/dbraw/zinc/64/41/40/504644140.db2.gz VPYJKSLNMWECBP-CKJXQJPGSA-N 2 1 367.497 3.274 20 30 FGEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cn4ccccc4c3C#N)CC2)C[C@H](C)O1 ZINC000549401094 504809945 /nfs/dbraw/zinc/80/99/45/504809945.db2.gz IMSGGGWSZOCVTA-ROUUACIJSA-N 2 1 366.509 3.132 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)cc1 ZINC000559271615 504815258 /nfs/dbraw/zinc/81/52/58/504815258.db2.gz FBYUFUGZEPTMID-QGZVFWFLSA-N 2 1 374.492 3.265 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000598730338 507570267 /nfs/dbraw/zinc/57/02/67/507570267.db2.gz UCLFRRCICGNCMI-PMACEKPBSA-N 2 1 355.526 3.179 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C(F)(F)F)c1 ZINC000595896145 507731701 /nfs/dbraw/zinc/73/17/01/507731701.db2.gz HAVXCSMWPCRNSU-CGTJXYLNSA-N 2 1 367.415 3.438 20 30 FGEDMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC3(C#N)CCOCC3)CCCC2)CC1 ZINC000602548946 507746391 /nfs/dbraw/zinc/74/63/91/507746391.db2.gz XJNKQJNCRPAVBE-GOSISDBHSA-N 2 1 363.546 3.099 20 30 FGEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCSC2(CCCCC2)C1 ZINC000261794374 713714590 /nfs/dbraw/zinc/71/45/90/713714590.db2.gz GJYWLFSEAIZFME-KRWDZBQOSA-N 2 1 352.592 3.045 20 30 FGEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000261967561 713716426 /nfs/dbraw/zinc/71/64/26/713716426.db2.gz BVLPKTZZBKLQMW-UHFFFAOYSA-N 2 1 358.873 3.134 20 30 FGEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)cc1Cl ZINC000261967561 713716428 /nfs/dbraw/zinc/71/64/28/713716428.db2.gz BVLPKTZZBKLQMW-UHFFFAOYSA-N 2 1 358.873 3.134 20 30 FGEDMP C[C@@H](NC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017398 713717421 /nfs/dbraw/zinc/71/74/21/713717421.db2.gz WQWMQRQCGSLVKH-VXGBXAGGSA-N 2 1 355.313 3.443 20 30 FGEDMP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305707899 713793398 /nfs/dbraw/zinc/79/33/98/713793398.db2.gz WNAMLIBEFFJXQI-YOEHRIQHSA-N 2 1 354.901 3.422 20 30 FGEDMP C=CC[C@@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662663474 720450668 /nfs/dbraw/zinc/45/06/68/720450668.db2.gz HSNNTHIUOINTAT-ICSRJNTNSA-N 2 1 361.917 3.291 20 30 FGEDMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000819101269 727347594 /nfs/dbraw/zinc/34/75/94/727347594.db2.gz QCFLOXWRPKVECA-GGPKGHCWSA-N 2 1 355.507 3.326 20 30 FGEDMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1cccs1 ZINC000819101269 727347596 /nfs/dbraw/zinc/34/75/96/727347596.db2.gz QCFLOXWRPKVECA-GGPKGHCWSA-N 2 1 355.507 3.326 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C)CC1 ZINC000823789651 729304959 /nfs/dbraw/zinc/30/49/59/729304959.db2.gz NVGFWRAIEZUUAO-QGZVFWFLSA-N 2 1 353.551 3.413 20 30 FGEDMP C=C(Cl)C[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000961370447 762747288 /nfs/dbraw/zinc/74/72/88/762747288.db2.gz CPPBACOKTXRKJX-NZSAHSFTSA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370447 762747292 /nfs/dbraw/zinc/74/72/92/762747292.db2.gz CPPBACOKTXRKJX-NZSAHSFTSA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000961370447 762747298 /nfs/dbraw/zinc/74/72/98/762747298.db2.gz CPPBACOKTXRKJX-NZSAHSFTSA-N 2 1 367.965 3.030 20 30 FGEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568075 493917482 /nfs/dbraw/zinc/91/74/82/493917482.db2.gz GGHGHMUMDMGZMM-OAHLLOKOSA-N 2 1 362.905 3.204 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568075 493917487 /nfs/dbraw/zinc/91/74/87/493917487.db2.gz GGHGHMUMDMGZMM-OAHLLOKOSA-N 2 1 362.905 3.204 20 30 FGEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000081568075 493917489 /nfs/dbraw/zinc/91/74/89/493917489.db2.gz GGHGHMUMDMGZMM-OAHLLOKOSA-N 2 1 362.905 3.204 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136866138 495406616 /nfs/dbraw/zinc/40/66/16/495406616.db2.gz JUDPERCFPCLDDG-HKUYNNGSSA-N 2 1 366.509 3.470 20 30 FGEDMP Cn1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180182732 495894680 /nfs/dbraw/zinc/89/46/80/495894680.db2.gz VNTNSARPLWRKGQ-NRFANRHFSA-N 2 1 363.509 3.409 20 30 FGEDMP Cn1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180182732 495894684 /nfs/dbraw/zinc/89/46/84/495894684.db2.gz VNTNSARPLWRKGQ-NRFANRHFSA-N 2 1 363.509 3.409 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278726482 497201897 /nfs/dbraw/zinc/20/18/97/497201897.db2.gz TYXITMLPVJZUID-SFHVURJKSA-N 2 1 366.513 3.213 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278726482 497201898 /nfs/dbraw/zinc/20/18/98/497201898.db2.gz TYXITMLPVJZUID-SFHVURJKSA-N 2 1 366.513 3.213 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330316740 498103157 /nfs/dbraw/zinc/10/31/57/498103157.db2.gz ZPFWEJNGCDTEKT-MJGOQNOKSA-N 2 1 373.545 3.088 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330316740 498103163 /nfs/dbraw/zinc/10/31/63/498103163.db2.gz ZPFWEJNGCDTEKT-MJGOQNOKSA-N 2 1 373.545 3.088 20 30 FGEDMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289494236 498167077 /nfs/dbraw/zinc/16/70/77/498167077.db2.gz SBQYZDOLRREJTP-UHFFFAOYSA-N 2 1 366.513 3.167 20 30 FGEDMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000289494236 498167088 /nfs/dbraw/zinc/16/70/88/498167088.db2.gz SBQYZDOLRREJTP-UHFFFAOYSA-N 2 1 366.513 3.167 20 30 FGEDMP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000329219910 499074862 /nfs/dbraw/zinc/07/48/62/499074862.db2.gz BCALOVQCXSIELG-MSOLQXFVSA-N 2 1 374.529 3.170 20 30 FGEDMP N#Cc1ccc(CN2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000370122933 499183678 /nfs/dbraw/zinc/18/36/78/499183678.db2.gz RYYPGVIRAZRXMP-UHFFFAOYSA-N 2 1 352.526 3.129 20 30 FGEDMP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377705917 499723104 /nfs/dbraw/zinc/72/31/04/499723104.db2.gz ZYRPESBAIPLIHL-KRWDZBQOSA-N 2 1 350.466 3.473 20 30 FGEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)CC1 ZINC000602877039 506334045 /nfs/dbraw/zinc/33/40/45/506334045.db2.gz KKTSPWUHQMZHSL-UHFFFAOYSA-N 2 1 374.916 3.004 20 30 FGEDMP C=CCOc1cccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000512667189 503607774 /nfs/dbraw/zinc/60/77/74/503607774.db2.gz BEEIQJCGSXNVCU-WOJBJXKFSA-N 2 1 357.542 3.242 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(C#N)cs3)CC2)CC1 ZINC000538722955 504345025 /nfs/dbraw/zinc/34/50/25/504345025.db2.gz CEVVSNNDVQUXQG-UHFFFAOYSA-N 2 1 360.571 3.248 20 30 FGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000554776447 505261872 /nfs/dbraw/zinc/26/18/72/505261872.db2.gz YJCRAYSGKXMJFC-FQEVSTJZSA-N 2 1 362.521 3.369 20 30 FGEDMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000554776447 505261874 /nfs/dbraw/zinc/26/18/74/505261874.db2.gz YJCRAYSGKXMJFC-FQEVSTJZSA-N 2 1 362.521 3.369 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000599657708 506558287 /nfs/dbraw/zinc/55/82/87/506558287.db2.gz LBZBIWCQDDCANX-QGZVFWFLSA-N 2 1 364.493 3.469 20 30 FGEDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)CC2)CC1 ZINC000597154931 506802644 /nfs/dbraw/zinc/80/26/44/506802644.db2.gz SXVWMKPEAMOANR-UHFFFAOYSA-N 2 1 366.553 3.234 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441235 507135581 /nfs/dbraw/zinc/13/55/81/507135581.db2.gz PMVRJAATWDEDAI-LVCYWYKZSA-N 2 1 370.541 3.192 20 30 FGEDMP CCC[N@H+](Cc1ccnc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000610994758 507471297 /nfs/dbraw/zinc/47/12/97/507471297.db2.gz LHQGQOIXOIZGTK-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP CCC[N@@H+](Cc1ccnc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000610994758 507471304 /nfs/dbraw/zinc/47/13/04/507471304.db2.gz LHQGQOIXOIZGTK-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000598725262 507569198 /nfs/dbraw/zinc/56/91/98/507569198.db2.gz WRJMXZBKKFBLCZ-IVAOSVALSA-N 2 1 355.526 3.177 20 30 FGEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C(F)(F)F)c1 ZINC000595896731 507732209 /nfs/dbraw/zinc/73/22/09/507732209.db2.gz WKLZREBTHCDWFC-JZXOWHBKSA-N 2 1 367.415 3.295 20 30 FGEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261860324 713715366 /nfs/dbraw/zinc/71/53/66/713715366.db2.gz ZEDVEPKAPNWFOI-SJORKVTESA-N 2 1 352.567 3.104 20 30 FGEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261860320 713715475 /nfs/dbraw/zinc/71/54/75/713715475.db2.gz ZEDVEPKAPNWFOI-IRXDYDNUSA-N 2 1 352.567 3.104 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NCC2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000261926014 713715712 /nfs/dbraw/zinc/71/57/12/713715712.db2.gz AZTUXOWQZZOLOR-RHSMWYFYSA-N 2 1 352.885 3.176 20 30 FGEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262509888 713726593 /nfs/dbraw/zinc/72/65/93/713726593.db2.gz BAHQVDQAXHUWRL-CQSZACIVSA-N 2 1 369.340 3.485 20 30 FGEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000305685421 713793285 /nfs/dbraw/zinc/79/32/85/713793285.db2.gz OLBBGHRXMVNFSC-YOEHRIQHSA-N 2 1 352.885 3.273 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820809797 729033316 /nfs/dbraw/zinc/03/33/16/729033316.db2.gz ILUMABYUIFNUHY-AEFFLSMTSA-N 2 1 351.535 3.405 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865453683 733203959 /nfs/dbraw/zinc/20/39/59/733203959.db2.gz HWFFJLBFEGFOGJ-OAHLLOKOSA-N 2 1 361.477 3.165 20 30 FGEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000901254065 743243136 /nfs/dbraw/zinc/24/31/36/743243136.db2.gz BBENRSQQFLIKEM-QAPCUYQASA-N 2 1 367.896 3.096 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100527 493833270 /nfs/dbraw/zinc/83/32/70/493833270.db2.gz VUMDUAWQDZQLGU-PBHICJAKSA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100527 493833275 /nfs/dbraw/zinc/83/32/75/493833275.db2.gz VUMDUAWQDZQLGU-PBHICJAKSA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000081100527 493833282 /nfs/dbraw/zinc/83/32/82/493833282.db2.gz VUMDUAWQDZQLGU-PBHICJAKSA-N 2 1 374.554 3.099 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072823431 494258212 /nfs/dbraw/zinc/25/82/12/494258212.db2.gz YMYJEWQWAYFUNF-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000072823431 494258215 /nfs/dbraw/zinc/25/82/15/494258215.db2.gz YMYJEWQWAYFUNF-HNNXBMFYSA-N 2 1 374.554 3.101 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000151168507 495759836 /nfs/dbraw/zinc/75/98/36/495759836.db2.gz JYKLIWNRCXDBMR-GOSISDBHSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000151168507 495759841 /nfs/dbraw/zinc/75/98/41/495759841.db2.gz JYKLIWNRCXDBMR-GOSISDBHSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180034922 495831070 /nfs/dbraw/zinc/83/10/70/495831070.db2.gz KOSAHXLWUQUOSK-QGZVFWFLSA-N 2 1 351.498 3.313 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180034922 495831076 /nfs/dbraw/zinc/83/10/76/495831076.db2.gz KOSAHXLWUQUOSK-QGZVFWFLSA-N 2 1 351.498 3.313 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)s2)[C@H](c2ccccc2)C1 ZINC000176946582 495851970 /nfs/dbraw/zinc/85/19/70/495851970.db2.gz OPCVGGDIELZENL-FQEVSTJZSA-N 2 1 354.523 3.088 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181415193 496385443 /nfs/dbraw/zinc/38/54/43/496385443.db2.gz QZSNUGXWOZAURT-IBGZPJMESA-N 2 1 354.542 3.377 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415193 496385447 /nfs/dbraw/zinc/38/54/47/496385447.db2.gz QZSNUGXWOZAURT-IBGZPJMESA-N 2 1 354.542 3.377 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415193 496385453 /nfs/dbraw/zinc/38/54/53/496385453.db2.gz QZSNUGXWOZAURT-IBGZPJMESA-N 2 1 354.542 3.377 20 30 FGEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000237590970 497259972 /nfs/dbraw/zinc/25/99/72/497259972.db2.gz BHIWCWPDFDYDOV-GOSISDBHSA-N 2 1 364.493 3.169 20 30 FGEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000246209168 497661636 /nfs/dbraw/zinc/66/16/36/497661636.db2.gz PFCKZPHXXJZSNP-UZLBHIALSA-N 2 1 365.506 3.440 20 30 FGEDMP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)COC1)c1ccc(C#N)cc1 ZINC000272874244 497750547 /nfs/dbraw/zinc/75/05/47/497750547.db2.gz BEKVOPJIDBCXRP-HDICACEKSA-N 2 1 374.488 3.448 20 30 FGEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])Nc3cc(F)ccc3F)c2)CCO1 ZINC000288783378 497898625 /nfs/dbraw/zinc/89/86/25/497898625.db2.gz WOVKRABTJVZQNL-AWEZNQCLSA-N 2 1 374.435 3.112 20 30 FGEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3cc(F)ccc3F)c2)CCO1 ZINC000288783378 497898632 /nfs/dbraw/zinc/89/86/32/497898632.db2.gz WOVKRABTJVZQNL-AWEZNQCLSA-N 2 1 374.435 3.112 20 30 FGEDMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328777307 498934857 /nfs/dbraw/zinc/93/48/57/498934857.db2.gz DALQJZMHICVYJU-IERDGZPVSA-N 2 1 373.497 3.242 20 30 FGEDMP CC(C)(C#N)CCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367226626 499164621 /nfs/dbraw/zinc/16/46/21/499164621.db2.gz XEEBPESJCZUYEE-OAQYLSRUSA-N 2 1 354.542 3.208 20 30 FGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000576436592 506157681 /nfs/dbraw/zinc/15/76/81/506157681.db2.gz WXRPAZXGJHHCIO-XMMPIXPASA-N 2 1 374.532 3.473 20 30 FGEDMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC000449113325 500928191 /nfs/dbraw/zinc/92/81/91/500928191.db2.gz AJGKNPPHSCPSER-UHFFFAOYSA-N 2 1 359.514 3.206 20 30 FGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131518 500936531 /nfs/dbraw/zinc/93/65/31/500936531.db2.gz ZNFMCNHCWDICLV-PXNSSMCTSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131518 500936535 /nfs/dbraw/zinc/93/65/35/500936535.db2.gz ZNFMCNHCWDICLV-PXNSSMCTSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131518 500936539 /nfs/dbraw/zinc/93/65/39/500936539.db2.gz ZNFMCNHCWDICLV-PXNSSMCTSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131518 500936541 /nfs/dbraw/zinc/93/65/41/500936541.db2.gz ZNFMCNHCWDICLV-PXNSSMCTSA-N 2 1 366.513 3.163 20 30 FGEDMP C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459371952 501641357 /nfs/dbraw/zinc/64/13/57/501641357.db2.gz KTMPDFIIQDHMHH-UHFFFAOYSA-N 2 1 365.437 3.210 20 30 FGEDMP C[C@H]([NH2+]CC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)COC1)c1cccc(C#N)c1 ZINC000611798267 506307580 /nfs/dbraw/zinc/30/75/80/506307580.db2.gz HRHPTUJUPGGISC-ROUUACIJSA-N 2 1 374.488 3.448 20 30 FGEDMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375700 503164585 /nfs/dbraw/zinc/16/45/85/503164585.db2.gz UNUGESPZCVPFNG-IBGZPJMESA-N 2 1 363.509 3.122 20 30 FGEDMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375700 503164587 /nfs/dbraw/zinc/16/45/87/503164587.db2.gz UNUGESPZCVPFNG-IBGZPJMESA-N 2 1 363.509 3.122 20 30 FGEDMP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375700 503164593 /nfs/dbraw/zinc/16/45/93/503164593.db2.gz UNUGESPZCVPFNG-IBGZPJMESA-N 2 1 363.509 3.122 20 30 FGEDMP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490375700 503164599 /nfs/dbraw/zinc/16/45/99/503164599.db2.gz UNUGESPZCVPFNG-IBGZPJMESA-N 2 1 363.509 3.122 20 30 FGEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000512426086 503546596 /nfs/dbraw/zinc/54/65/96/503546596.db2.gz DVHYFKDDMJGUJT-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc(C#N)c3F)CC2)C[C@H](C)O1 ZINC000512426086 503546602 /nfs/dbraw/zinc/54/66/02/503546602.db2.gz DVHYFKDDMJGUJT-CALCHBBNSA-N 2 1 359.489 3.409 20 30 FGEDMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000540701239 503860219 /nfs/dbraw/zinc/86/02/19/503860219.db2.gz CNBDOJQNBDRATH-KXBFYZLASA-N 2 1 372.513 3.398 20 30 FGEDMP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000559891943 504945052 /nfs/dbraw/zinc/94/50/52/504945052.db2.gz GYBMBHHMYDUUDO-NJYVYQBISA-N 2 1 353.510 3.197 20 30 FGEDMP C[C@@H](NC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)cc1Cl ZINC000262017392 713717099 /nfs/dbraw/zinc/71/70/99/713717099.db2.gz WQWMQRQCGSLVKH-NEPJUHHUSA-N 2 1 355.313 3.443 20 30 FGEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303988908 713791208 /nfs/dbraw/zinc/79/12/08/713791208.db2.gz WYJXEYSWHRKFOI-JSGCOSHPSA-N 2 1 373.328 3.070 20 30 FGEDMP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305707468 713793395 /nfs/dbraw/zinc/79/33/95/713793395.db2.gz WNAMLIBEFFJXQI-PBHICJAKSA-N 2 1 354.901 3.422 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820809799 729033425 /nfs/dbraw/zinc/03/34/25/729033425.db2.gz ILUMABYUIFNUHY-SJLPKXTDSA-N 2 1 351.535 3.405 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000876891657 736158586 /nfs/dbraw/zinc/15/85/86/736158586.db2.gz APMNLGWHZRSHIN-KCXAZCMYSA-N 2 1 374.287 3.058 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687383 493942399 /nfs/dbraw/zinc/94/23/99/493942399.db2.gz RJZSNWCKNTYNBP-NRFANRHFSA-N 2 1 373.516 3.337 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081687383 493942400 /nfs/dbraw/zinc/94/24/00/493942400.db2.gz RJZSNWCKNTYNBP-NRFANRHFSA-N 2 1 373.516 3.337 20 30 FGEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000086394687 494152764 /nfs/dbraw/zinc/15/27/64/494152764.db2.gz AVYBLXFMZRZVFH-INIZCTEOSA-N 2 1 367.497 3.191 20 30 FGEDMP Cc1cccc(N2CCC([NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)[nH+]1 ZINC000116924585 494871499 /nfs/dbraw/zinc/87/14/99/494871499.db2.gz LTMUEZOLUISLDT-UHFFFAOYSA-N 2 1 363.509 3.499 20 30 FGEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135205754 495263344 /nfs/dbraw/zinc/26/33/44/495263344.db2.gz ZQGMWJCHKOPNAP-HXUWFJFHSA-N 2 1 354.542 3.090 20 30 FGEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135205754 495263347 /nfs/dbraw/zinc/26/33/47/495263347.db2.gz ZQGMWJCHKOPNAP-HXUWFJFHSA-N 2 1 354.542 3.090 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccccc1C#N ZINC000185662626 495667804 /nfs/dbraw/zinc/66/78/04/495667804.db2.gz HGBLXMSGIUVXKE-BQFCYCMXSA-N 2 1 354.498 3.128 20 30 FGEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccccc1C#N ZINC000185662626 495667809 /nfs/dbraw/zinc/66/78/09/495667809.db2.gz HGBLXMSGIUVXKE-BQFCYCMXSA-N 2 1 354.498 3.128 20 30 FGEDMP Cc1ccc(N2CCC([NH2+]Cc3ccc(O[C@H](C)C#N)cc3)CC2)[nH+]c1 ZINC000174430566 495957200 /nfs/dbraw/zinc/95/72/00/495957200.db2.gz AFRNVLVACBAINS-QGZVFWFLSA-N 2 1 350.466 3.440 20 30 FGEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000160739786 496032713 /nfs/dbraw/zinc/03/27/13/496032713.db2.gz BJRHWSMGGLRVTK-UHFFFAOYSA-N 2 1 355.364 3.297 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000152988710 496316801 /nfs/dbraw/zinc/31/68/01/496316801.db2.gz UHSHQXKZAPKXRP-UHFFFAOYSA-N 2 1 359.533 3.463 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175474015 496406434 /nfs/dbraw/zinc/40/64/34/496406434.db2.gz NUJPXDINCKDGMV-LJQANCHMSA-N 2 1 372.557 3.237 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418821 497435278 /nfs/dbraw/zinc/43/52/78/497435278.db2.gz OSBIAFXCFLYMQH-FXAWDEMLSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418821 497435285 /nfs/dbraw/zinc/43/52/85/497435285.db2.gz OSBIAFXCFLYMQH-FXAWDEMLSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418821 497435290 /nfs/dbraw/zinc/43/52/90/497435290.db2.gz OSBIAFXCFLYMQH-FXAWDEMLSA-N 2 1 366.513 3.021 20 30 FGEDMP C=CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000245903510 497565768 /nfs/dbraw/zinc/56/57/68/497565768.db2.gz BOOAWOBIXQCEFL-RTWAWAEBSA-N 2 1 355.526 3.218 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936064 497578410 /nfs/dbraw/zinc/57/84/10/497578410.db2.gz JCKLUZZFLPFKDQ-OXJNMPFZSA-N 2 1 351.498 3.121 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936064 497578416 /nfs/dbraw/zinc/57/84/16/497578416.db2.gz JCKLUZZFLPFKDQ-OXJNMPFZSA-N 2 1 351.498 3.121 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245936064 497578419 /nfs/dbraw/zinc/57/84/19/497578419.db2.gz JCKLUZZFLPFKDQ-OXJNMPFZSA-N 2 1 351.498 3.121 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000246287666 497685118 /nfs/dbraw/zinc/68/51/18/497685118.db2.gz CUXKGSNBPSICME-MOPGFXCFSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000369908116 499149826 /nfs/dbraw/zinc/14/98/26/499149826.db2.gz JLSSEDGSQAJLQF-SFHVURJKSA-N 2 1 354.542 3.088 20 30 FGEDMP CC[C@H](C#N)Oc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC ZINC000367611355 499217344 /nfs/dbraw/zinc/21/73/44/499217344.db2.gz BUWTXQTYKAADTF-NCXUSEDFSA-N 2 1 357.498 3.339 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000371158323 499294535 /nfs/dbraw/zinc/29/45/35/499294535.db2.gz RXRKVNZJXROBQY-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336428 499422343 /nfs/dbraw/zinc/42/23/43/499422343.db2.gz GNODZAFBXYHPJO-YFVAEKQCSA-N 2 1 355.526 3.467 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420340016 500444785 /nfs/dbraw/zinc/44/47/85/500444785.db2.gz MJWYHZVZPGWAIK-QGZVFWFLSA-N 2 1 359.539 3.367 20 30 FGEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126210 500631663 /nfs/dbraw/zinc/63/16/63/500631663.db2.gz NMVNTAGGTNPALR-UHFFFAOYSA-N 2 1 367.537 3.175 20 30 FGEDMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131517 500936320 /nfs/dbraw/zinc/93/63/20/500936320.db2.gz ZNFMCNHCWDICLV-FXAWDEMLSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131517 500936323 /nfs/dbraw/zinc/93/63/23/500936323.db2.gz ZNFMCNHCWDICLV-FXAWDEMLSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131517 500936325 /nfs/dbraw/zinc/93/63/25/500936325.db2.gz ZNFMCNHCWDICLV-FXAWDEMLSA-N 2 1 366.513 3.163 20 30 FGEDMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1C ZINC000435131517 500936326 /nfs/dbraw/zinc/93/63/26/500936326.db2.gz ZNFMCNHCWDICLV-FXAWDEMLSA-N 2 1 366.513 3.163 20 30 FGEDMP N#Cc1cccc(OCCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471029503 501896858 /nfs/dbraw/zinc/89/68/58/501896858.db2.gz QDRCOPYSDNRKIC-SZPZYZBQSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471029503 501896863 /nfs/dbraw/zinc/89/68/63/501896863.db2.gz QDRCOPYSDNRKIC-SZPZYZBQSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1cccc(OCCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471029503 501896870 /nfs/dbraw/zinc/89/68/70/501896870.db2.gz QDRCOPYSDNRKIC-SZPZYZBQSA-N 2 1 361.489 3.391 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000469836860 502562507 /nfs/dbraw/zinc/56/25/07/502562507.db2.gz RXUCIUXGPPOSEE-UHFFFAOYSA-N 2 1 369.303 3.193 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489677720 503009278 /nfs/dbraw/zinc/00/92/78/503009278.db2.gz LOTVOFGSKMDLQI-FQEVSTJZSA-N 2 1 369.553 3.420 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(CC#N)cc3)CC2)CC1 ZINC000543206963 503679514 /nfs/dbraw/zinc/67/95/14/503679514.db2.gz IBHWHZJRFBACEK-UHFFFAOYSA-N 2 1 368.569 3.381 20 30 FGEDMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(CC#N)cc1 ZINC000543206963 503679520 /nfs/dbraw/zinc/67/95/20/503679520.db2.gz IBHWHZJRFBACEK-UHFFFAOYSA-N 3 1 368.569 3.381 20 30 FGEDMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(CC#N)cc1 ZINC000543206963 503679527 /nfs/dbraw/zinc/67/95/27/503679527.db2.gz IBHWHZJRFBACEK-UHFFFAOYSA-N 3 1 368.569 3.381 20 30 FGEDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000540976283 503961868 /nfs/dbraw/zinc/96/18/68/503961868.db2.gz LQKZMLZFKRETQX-HNAYVOBHSA-N 2 1 372.513 3.398 20 30 FGEDMP N#Cc1ccccc1OCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000583076359 506578485 /nfs/dbraw/zinc/57/84/85/506578485.db2.gz BRJWTYLAXCSBBG-UHFFFAOYSA-N 2 1 358.445 3.307 20 30 FGEDMP C[C@H]1C[C@H](C)C[NH+](CCN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000595289679 507448554 /nfs/dbraw/zinc/44/85/54/507448554.db2.gz PUQIDRDQKGZEKZ-PMACEKPBSA-N 2 1 354.542 3.044 20 30 FGEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)C1 ZINC000160697456 705259062 /nfs/dbraw/zinc/25/90/62/705259062.db2.gz PGKHXVIPLOLFIM-ZDUSSCGKSA-N 2 1 358.408 3.432 20 30 FGEDMP C[C@@H](NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000262475808 713726379 /nfs/dbraw/zinc/72/63/79/713726379.db2.gz PSJKNLLJPAOUNI-ZYHUDNBSSA-N 2 1 352.269 3.170 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757195 717599055 /nfs/dbraw/zinc/59/90/55/717599055.db2.gz IJBZDFXFCDANBV-KRWDZBQOSA-N 2 1 361.555 3.069 20 30 FGEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000057847185 493808300 /nfs/dbraw/zinc/80/83/00/493808300.db2.gz LQIAUWRSUJHMDB-UHFFFAOYSA-N 2 1 362.905 3.204 20 30 FGEDMP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253431 494822668 /nfs/dbraw/zinc/82/26/68/494822668.db2.gz ACNHUFVFCSDITA-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253431 494822670 /nfs/dbraw/zinc/82/26/70/494822670.db2.gz ACNHUFVFCSDITA-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253431 494822673 /nfs/dbraw/zinc/82/26/73/494822673.db2.gz ACNHUFVFCSDITA-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP C[NH+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253431 494822679 /nfs/dbraw/zinc/82/26/79/494822679.db2.gz ACNHUFVFCSDITA-SFHVURJKSA-N 2 1 351.498 3.237 20 30 FGEDMP COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694849 495684098 /nfs/dbraw/zinc/68/40/98/495684098.db2.gz LMLQPQVGJBTMRD-FUHWJXTLSA-N 2 1 357.498 3.188 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719284 495695866 /nfs/dbraw/zinc/69/58/66/495695866.db2.gz FEUYMSYMMSCAMW-ZBFHGGJFSA-N 2 1 360.527 3.191 20 30 FGEDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174353406 495923787 /nfs/dbraw/zinc/92/37/87/495923787.db2.gz YSZBZECZRMBVOP-HNNXBMFYSA-N 2 1 356.445 3.283 20 30 FGEDMP CC[N@@H+](Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1)C(C)C ZINC000264268348 496857322 /nfs/dbraw/zinc/85/73/22/496857322.db2.gz RFAGGTCHZYVFGT-UHFFFAOYSA-N 2 1 358.530 3.224 20 30 FGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)CCC#N)cc2)[C@@H](C)C1 ZINC000265205878 497071210 /nfs/dbraw/zinc/07/12/10/497071210.db2.gz SLZCEMANZWLMHB-UGKGYDQZSA-N 2 1 372.557 3.263 20 30 FGEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1sccc1C#N)CC2)C1CC1 ZINC000362105079 498466050 /nfs/dbraw/zinc/46/60/50/498466050.db2.gz FTJBFTXGGLTARZ-MRXNPFEDSA-N 2 1 372.538 3.145 20 30 FGEDMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)cc3F)CC2)nc(C)[nH+]1 ZINC000332528185 498713824 /nfs/dbraw/zinc/71/38/24/498713824.db2.gz UBZBOHBKKCVPMV-AWEZNQCLSA-N 2 1 353.445 3.424 20 30 FGEDMP COc1ccc(NC(=[NH2+])NCC2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000304764698 498735216 /nfs/dbraw/zinc/73/52/16/498735216.db2.gz YKFUKWRSPCLVSF-UHFFFAOYSA-N 2 1 373.526 3.099 20 30 FGEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000375594679 499536103 /nfs/dbraw/zinc/53/61/03/499536103.db2.gz BPZUMNFEABHFPK-YADHBBJMSA-N 2 1 354.542 3.174 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000376805130 499635797 /nfs/dbraw/zinc/63/57/97/499635797.db2.gz SSAPZYSYPFSRBP-HRQSHJORSA-N 2 1 357.498 3.129 20 30 FGEDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000376805130 499635798 /nfs/dbraw/zinc/63/57/98/499635798.db2.gz SSAPZYSYPFSRBP-HRQSHJORSA-N 2 1 357.498 3.129 20 30 FGEDMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000423567768 500385407 /nfs/dbraw/zinc/38/54/07/500385407.db2.gz MGZGBMYHNNDUHZ-QGZVFWFLSA-N 2 1 366.484 3.341 20 30 FGEDMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000596059245 506233545 /nfs/dbraw/zinc/23/35/45/506233545.db2.gz NQXGRLFBONSAFC-IBGZPJMESA-N 2 1 363.509 3.170 20 30 FGEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489681606 503009668 /nfs/dbraw/zinc/00/96/68/503009668.db2.gz FLAWKSAUZSYBQS-UHFFFAOYSA-N 2 1 355.526 3.031 20 30 FGEDMP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511842358 503399120 /nfs/dbraw/zinc/39/91/20/503399120.db2.gz JYPMEJAIGFIHDX-FQEVSTJZSA-N 2 1 362.521 3.369 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000516175336 503462513 /nfs/dbraw/zinc/46/25/13/503462513.db2.gz LGQISIYUSFWVDU-SFHVURJKSA-N 2 1 356.432 3.239 20 30 FGEDMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540246962 503723539 /nfs/dbraw/zinc/72/35/39/503723539.db2.gz ICVITNDZXURXLN-GUDVDZBRSA-N 2 1 371.525 3.209 20 30 FGEDMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000540701233 503859604 /nfs/dbraw/zinc/85/96/04/503859604.db2.gz CNBDOJQNBDRATH-BEFAXECRSA-N 2 1 372.513 3.398 20 30 FGEDMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(C#N)cc1F ZINC000540989120 503966141 /nfs/dbraw/zinc/96/61/41/503966141.db2.gz VQVYQWOCXNVONY-KXBFYZLASA-N 2 1 353.441 3.115 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C(C)C ZINC000520704659 504560980 /nfs/dbraw/zinc/56/09/80/504560980.db2.gz WTDWBVORGSWWHO-UYAOXDASSA-N 2 1 362.562 3.001 20 30 FGEDMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1C#N ZINC000562467987 504830126 /nfs/dbraw/zinc/83/01/26/504830126.db2.gz YLKZCMYFLMUALU-LJQANCHMSA-N 2 1 354.523 3.007 20 30 FGEDMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603111522 506424164 /nfs/dbraw/zinc/42/41/64/506424164.db2.gz RIQBCGMWMVEYNQ-UHFFFAOYSA-N 2 1 353.470 3.306 20 30 FGEDMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000603111522 506424171 /nfs/dbraw/zinc/42/41/71/506424171.db2.gz RIQBCGMWMVEYNQ-UHFFFAOYSA-N 2 1 353.470 3.306 20 30 FGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000589315667 506514347 /nfs/dbraw/zinc/51/43/47/506514347.db2.gz ONQXPXGECYNMTI-QZTJIDSGSA-N 2 1 367.415 3.044 20 30 FGEDMP CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029858 506764649 /nfs/dbraw/zinc/76/46/49/506764649.db2.gz UHDRAAFSIDJZND-UHFFFAOYSA-N 2 1 356.495 3.142 20 30 FGEDMP CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029858 506764656 /nfs/dbraw/zinc/76/46/56/506764656.db2.gz UHDRAAFSIDJZND-UHFFFAOYSA-N 2 1 356.495 3.142 20 30 FGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000594919567 507315747 /nfs/dbraw/zinc/31/57/47/507315747.db2.gz BNAPEXCSIOFFRG-RXVVDRJESA-N 2 1 355.526 3.468 20 30 FGEDMP Cc1cc(N2CCC([NH2+]Cc3ccc(C4(C#N)CC4)cc3)CC2)nc(C)[nH+]1 ZINC000594942700 507324676 /nfs/dbraw/zinc/32/46/76/507324676.db2.gz ZIHLVVPIEWGJOO-UHFFFAOYSA-N 2 1 361.493 3.407 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000133109080 700835063 /nfs/dbraw/zinc/83/50/63/700835063.db2.gz ZBQCWBIJENOYGA-UHFFFAOYSA-N 2 1 351.535 3.264 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000180489912 705743149 /nfs/dbraw/zinc/74/31/49/705743149.db2.gz XNPRQMKTJRFRRP-SJLPKXTDSA-N 2 1 351.535 3.262 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262049701 713717767 /nfs/dbraw/zinc/71/77/67/713717767.db2.gz VOAMXVHIJMLHNZ-DYVFJYSZSA-N 2 1 352.885 3.319 20 30 FGEDMP CC[NH+](CC)[C@@H](CNC(NC1CC1)=[NH+]C)c1ccc(C(F)(F)F)cc1 ZINC000849028026 731224047 /nfs/dbraw/zinc/22/40/47/731224047.db2.gz XXAFMRUSZCAPKV-INIZCTEOSA-N 2 1 356.436 3.416 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000576748001 505584741 /nfs/dbraw/zinc/58/47/41/505584741.db2.gz DHQTWGGCOAPRFY-UHFFFAOYSA-N 2 1 366.303 3.018 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000108932949 494807646 /nfs/dbraw/zinc/80/76/46/494807646.db2.gz VTDKGQYYHMVXNG-IBGZPJMESA-N 2 1 367.537 3.022 20 30 FGEDMP Cc1cccc(N2CCC([NH2+]Cc3ccc(O[C@@H](C)C#N)cc3)CC2)[nH+]1 ZINC000116924479 494871134 /nfs/dbraw/zinc/87/11/34/494871134.db2.gz HBWGRWNDAOOLOY-KRWDZBQOSA-N 2 1 350.466 3.440 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)n2c1 ZINC000123523373 495145857 /nfs/dbraw/zinc/14/58/57/495145857.db2.gz KZVNNOQBXNZYIE-KRWDZBQOSA-N 2 1 365.506 3.269 20 30 FGEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)n2c1 ZINC000123523373 495145862 /nfs/dbraw/zinc/14/58/62/495145862.db2.gz KZVNNOQBXNZYIE-KRWDZBQOSA-N 2 1 365.506 3.269 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000104154296 495269752 /nfs/dbraw/zinc/26/97/52/495269752.db2.gz GQUHWRRECBXBOY-MRXNPFEDSA-N 2 1 372.469 3.251 20 30 FGEDMP Cc1nccn1CCC[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000130408543 495387810 /nfs/dbraw/zinc/38/78/10/495387810.db2.gz SLYPNKJBOWFICW-UHFFFAOYSA-N 2 1 351.372 3.464 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000130408543 495387815 /nfs/dbraw/zinc/38/78/15/495387815.db2.gz SLYPNKJBOWFICW-UHFFFAOYSA-N 2 1 351.372 3.464 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766604 495718840 /nfs/dbraw/zinc/71/88/40/495718840.db2.gz JHXXREMSGWJFMC-SJLPKXTDSA-N 2 1 354.498 3.129 20 30 FGEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180539215 496036349 /nfs/dbraw/zinc/03/63/49/496036349.db2.gz ZYXZCEKFQMENIS-LQWHRVPQSA-N 2 1 359.514 3.377 20 30 FGEDMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000184338150 496340071 /nfs/dbraw/zinc/34/00/71/496340071.db2.gz QXJPPUPMPCZGLO-QGZVFWFLSA-N 2 1 351.498 3.313 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000158212486 496650828 /nfs/dbraw/zinc/65/08/28/496650828.db2.gz DJBZODCOCNMZRI-UHFFFAOYSA-N 2 1 372.557 3.237 20 30 FGEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002681 496748372 /nfs/dbraw/zinc/74/83/72/496748372.db2.gz PCHHCWLOOYZZFX-ICSRJNTNSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002681 496748374 /nfs/dbraw/zinc/74/83/74/496748374.db2.gz PCHHCWLOOYZZFX-ICSRJNTNSA-N 2 1 368.525 3.473 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291558 496876802 /nfs/dbraw/zinc/87/68/02/496876802.db2.gz LLOHKKNLCCLIBZ-SFHVURJKSA-N 2 1 352.482 3.082 20 30 FGEDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271911811 497486177 /nfs/dbraw/zinc/48/61/77/497486177.db2.gz FCHNMZFTMIRRDG-KRWDZBQOSA-N 2 1 366.484 3.296 20 30 FGEDMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000329893304 497943227 /nfs/dbraw/zinc/94/32/27/497943227.db2.gz JKPFAXWFBCTYAS-GOSISDBHSA-N 2 1 373.545 3.138 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000290356559 498522196 /nfs/dbraw/zinc/52/21/96/498522196.db2.gz QKWZJEQEFBAUID-OAHLLOKOSA-N 2 1 356.445 3.274 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329458223 499124412 /nfs/dbraw/zinc/12/44/12/499124412.db2.gz QXQSOTOEFSDNEQ-HUUCEWRRSA-N 2 1 359.470 3.246 20 30 FGEDMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329458223 499124413 /nfs/dbraw/zinc/12/44/13/499124413.db2.gz QXQSOTOEFSDNEQ-HUUCEWRRSA-N 2 1 359.470 3.246 20 30 FGEDMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccccc3SCC#N)C2)CC1 ZINC000367200116 499160615 /nfs/dbraw/zinc/16/06/15/499160615.db2.gz NEASOOCQQWVOOG-UHFFFAOYSA-N 2 1 372.538 3.049 20 30 FGEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccccc3SCC#N)C2)CC1 ZINC000367200116 499160617 /nfs/dbraw/zinc/16/06/17/499160617.db2.gz NEASOOCQQWVOOG-UHFFFAOYSA-N 2 1 372.538 3.049 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000370675346 499243136 /nfs/dbraw/zinc/24/31/36/499243136.db2.gz DSXNFCJCOJNGTJ-XPWALMASSA-N 2 1 361.489 3.046 20 30 FGEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419287165 500349632 /nfs/dbraw/zinc/34/96/32/500349632.db2.gz GQYKDUWTFRBICX-MRXNPFEDSA-N 2 1 361.555 3.258 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1OC ZINC000432346097 500502525 /nfs/dbraw/zinc/50/25/25/500502525.db2.gz HZCNLXVDAROFRT-GOSISDBHSA-N 2 1 362.514 3.241 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437733163 500687507 /nfs/dbraw/zinc/68/75/07/500687507.db2.gz GACRNQCVTACRQK-HXUWFJFHSA-N 2 1 362.562 3.123 20 30 FGEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000611622477 506233490 /nfs/dbraw/zinc/23/34/90/506233490.db2.gz LHLTUARJGOYJNC-JTHBVZDNSA-N 2 1 361.489 3.292 20 30 FGEDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459732715 501705658 /nfs/dbraw/zinc/70/56/58/501705658.db2.gz MPUUPVKIXCZCIF-GOSISDBHSA-N 2 1 351.498 3.285 20 30 FGEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602728059 506275331 /nfs/dbraw/zinc/27/53/31/506275331.db2.gz HXQAODUIVLZCKH-ZVDOUQERSA-N 2 1 355.526 3.443 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000517997768 503884895 /nfs/dbraw/zinc/88/48/95/503884895.db2.gz OXWSSIWTUDLZSG-GHTZIAJQSA-N 2 1 370.541 3.162 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554960533 505312722 /nfs/dbraw/zinc/31/27/22/505312722.db2.gz OFIXRECKBIEVSE-KSEOMHKRSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554960533 505312725 /nfs/dbraw/zinc/31/27/25/505312725.db2.gz OFIXRECKBIEVSE-KSEOMHKRSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554960533 505312729 /nfs/dbraw/zinc/31/27/29/505312729.db2.gz OFIXRECKBIEVSE-KSEOMHKRSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000554960533 505312733 /nfs/dbraw/zinc/31/27/33/505312733.db2.gz OFIXRECKBIEVSE-KSEOMHKRSA-N 2 1 367.537 3.029 20 30 FGEDMP CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029829 506764914 /nfs/dbraw/zinc/76/49/14/506764914.db2.gz NASIAPHOVFHKEN-UHFFFAOYSA-N 2 1 370.541 3.255 20 30 FGEDMP N#CCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000590777772 506948260 /nfs/dbraw/zinc/94/82/60/506948260.db2.gz FGTXJRWLVPSCKM-BDTNDASRSA-N 2 1 352.526 3.007 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595348081 507467435 /nfs/dbraw/zinc/46/74/35/507467435.db2.gz YSTIABYCFARTSW-UHFFFAOYSA-N 2 1 368.569 3.229 20 30 FGEDMP C[N@@H+](CCc1ccc(C#N)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000595348081 507467442 /nfs/dbraw/zinc/46/74/42/507467442.db2.gz YSTIABYCFARTSW-UHFFFAOYSA-N 3 1 368.569 3.229 20 30 FGEDMP C[N@H+](CCc1ccc(C#N)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000595348081 507467446 /nfs/dbraw/zinc/46/74/46/507467446.db2.gz YSTIABYCFARTSW-UHFFFAOYSA-N 3 1 368.569 3.229 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180490146 705743190 /nfs/dbraw/zinc/74/31/90/705743190.db2.gz GTCATBRRCVJGQC-WMZOPIPTSA-N 2 1 351.535 3.310 20 30 FGEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000305685417 713793205 /nfs/dbraw/zinc/79/32/05/713793205.db2.gz OLBBGHRXMVNFSC-RHSMWYFYSA-N 2 1 352.885 3.273 20 30 FGEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)[C@@H]2CCSC2)c1)[C@@H]1CCSC1 ZINC000878304402 736803326 /nfs/dbraw/zinc/80/33/26/736803326.db2.gz MYUIHIXLYXTJMM-RTBURBONSA-N 2 1 361.580 3.433 20 30 FGEDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965526 494293487 /nfs/dbraw/zinc/29/34/87/494293487.db2.gz PCHHCWLOOYZZFX-AZUAARDMSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965526 494293489 /nfs/dbraw/zinc/29/34/89/494293489.db2.gz PCHHCWLOOYZZFX-AZUAARDMSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000072965526 494293491 /nfs/dbraw/zinc/29/34/91/494293491.db2.gz PCHHCWLOOYZZFX-AZUAARDMSA-N 2 1 368.525 3.473 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000111496060 495081992 /nfs/dbraw/zinc/08/19/92/495081992.db2.gz LZQNSDHWASFUOD-GOSISDBHSA-N 2 1 364.578 3.227 20 30 FGEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135205732 495262945 /nfs/dbraw/zinc/26/29/45/495262945.db2.gz ZQGMWJCHKOPNAP-FQEVSTJZSA-N 2 1 354.542 3.090 20 30 FGEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135205732 495262952 /nfs/dbraw/zinc/26/29/52/495262952.db2.gz ZQGMWJCHKOPNAP-FQEVSTJZSA-N 2 1 354.542 3.090 20 30 FGEDMP COc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000130093482 495340866 /nfs/dbraw/zinc/34/08/66/495340866.db2.gz XUMSGWSTLAIQFC-UHFFFAOYSA-N 2 1 350.466 3.310 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000106245446 495439630 /nfs/dbraw/zinc/43/96/30/495439630.db2.gz ZOTRMASCPCGUNG-UHFFFAOYSA-N 3 1 357.542 3.291 20 30 FGEDMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC000179896238 495774305 /nfs/dbraw/zinc/77/43/05/495774305.db2.gz HILOFEWAKZCUDQ-OALUTQOASA-N 2 1 356.514 3.010 20 30 FGEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699725 496509089 /nfs/dbraw/zinc/50/90/89/496509089.db2.gz RSAQJQUVVPBRDO-OAQYLSRUSA-N 2 1 354.542 3.233 20 30 FGEDMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)oc1C ZINC000330223624 498068777 /nfs/dbraw/zinc/06/87/77/498068777.db2.gz NEMDPZWHOBUGFE-GOSISDBHSA-N 2 1 360.502 3.087 20 30 FGEDMP Cc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)oc1C ZINC000330223624 498068781 /nfs/dbraw/zinc/06/87/81/498068781.db2.gz NEMDPZWHOBUGFE-GOSISDBHSA-N 2 1 360.502 3.087 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675172 498168505 /nfs/dbraw/zinc/16/85/05/498168505.db2.gz ULOXFQZPDHHFTL-GOTSBHOMSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675172 498168510 /nfs/dbraw/zinc/16/85/10/498168510.db2.gz ULOXFQZPDHHFTL-GOTSBHOMSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675172 498168499 /nfs/dbraw/zinc/16/84/99/498168499.db2.gz ULOXFQZPDHHFTL-GOTSBHOMSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675172 498168515 /nfs/dbraw/zinc/16/85/15/498168515.db2.gz ULOXFQZPDHHFTL-GOTSBHOMSA-N 2 1 361.489 3.190 20 30 FGEDMP COc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1C#N ZINC000281797102 498273563 /nfs/dbraw/zinc/27/35/63/498273563.db2.gz UZHNIRHASVVPHQ-UHFFFAOYSA-N 2 1 368.481 3.174 20 30 FGEDMP C[C@H]([NH2+]C1CC[NH+](CCc2ccncc2)CC1)c1ccc(OCC#N)cc1 ZINC000362032863 498455925 /nfs/dbraw/zinc/45/59/25/498455925.db2.gz QYKXXHJRCBSKAO-SFHVURJKSA-N 2 1 364.493 3.342 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000298596893 498824572 /nfs/dbraw/zinc/82/45/72/498824572.db2.gz SDFQKDGVJHMKQD-UHFFFAOYSA-N 2 1 353.470 3.058 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000298596893 498824576 /nfs/dbraw/zinc/82/45/76/498824576.db2.gz SDFQKDGVJHMKQD-UHFFFAOYSA-N 2 1 353.470 3.058 20 30 FGEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438355 499121748 /nfs/dbraw/zinc/12/17/48/499121748.db2.gz APWWJQIWNZUPME-DLBZAZTESA-N 2 1 372.513 3.206 20 30 FGEDMP C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367622475 499218839 /nfs/dbraw/zinc/21/88/39/499218839.db2.gz HURUQTBDWYCDHF-FQEVSTJZSA-N 2 1 354.542 3.088 20 30 FGEDMP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000372414270 499431939 /nfs/dbraw/zinc/43/19/39/499431939.db2.gz ZRHOYRFDESARAX-UHFFFAOYSA-N 2 1 374.525 3.335 20 30 FGEDMP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000372414270 499431940 /nfs/dbraw/zinc/43/19/40/499431940.db2.gz ZRHOYRFDESARAX-UHFFFAOYSA-N 2 1 374.525 3.335 20 30 FGEDMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)s1 ZINC000376166410 499588195 /nfs/dbraw/zinc/58/81/95/499588195.db2.gz LVGZQDGCWDMCSK-MRXNPFEDSA-N 3 1 360.571 3.467 20 30 FGEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)CC1 ZINC000378167302 499761802 /nfs/dbraw/zinc/76/18/02/499761802.db2.gz HCALRYLJWUIIHH-HXUWFJFHSA-N 2 1 354.542 3.088 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000482134735 501985605 /nfs/dbraw/zinc/98/56/05/501985605.db2.gz MFIFCZJFKDOQGN-QRFRQXIXSA-N 2 1 356.514 3.375 20 30 FGEDMP C=CCOc1c(Br)cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000469854689 502569385 /nfs/dbraw/zinc/56/93/85/502569385.db2.gz XZKHDWVUKJXMNS-UHFFFAOYSA-N 2 1 371.319 3.439 20 30 FGEDMP C=CCOc1cccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000512667188 503608261 /nfs/dbraw/zinc/60/82/61/503608261.db2.gz BEEIQJCGSXNVCU-PMACEKPBSA-N 2 1 357.542 3.242 20 30 FGEDMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000540707379 503863317 /nfs/dbraw/zinc/86/33/17/503863317.db2.gz YCMWHLNYWCGFNS-HTAPYJJXSA-N 2 1 366.484 3.337 20 30 FGEDMP CC[N@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC(C)C ZINC000539099634 504473149 /nfs/dbraw/zinc/47/31/49/504473149.db2.gz KTGZSZBZSGQOPX-OAQYLSRUSA-N 2 1 370.541 3.165 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1)CC(C)C ZINC000539099634 504473151 /nfs/dbraw/zinc/47/31/51/504473151.db2.gz KTGZSZBZSGQOPX-OAQYLSRUSA-N 2 1 370.541 3.165 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 ZINC000542880809 504646032 /nfs/dbraw/zinc/64/60/32/504646032.db2.gz VPYJKSLNMWECBP-QYWGDWMGSA-N 2 1 367.497 3.274 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562061274 505507452 /nfs/dbraw/zinc/50/74/52/505507452.db2.gz IYTAMNSAAIIAGH-BVSLBCMMSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000562061274 505507455 /nfs/dbraw/zinc/50/74/55/505507455.db2.gz IYTAMNSAAIIAGH-BVSLBCMMSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562061274 505507461 /nfs/dbraw/zinc/50/74/61/505507461.db2.gz IYTAMNSAAIIAGH-BVSLBCMMSA-N 2 1 369.553 3.253 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000562061274 505507464 /nfs/dbraw/zinc/50/74/64/505507464.db2.gz IYTAMNSAAIIAGH-BVSLBCMMSA-N 2 1 369.553 3.253 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(C#N)c(F)c1 ZINC000595065406 507373974 /nfs/dbraw/zinc/37/39/74/507373974.db2.gz AYEIYWDTNSSZRQ-QRWLVFNGSA-N 2 1 353.441 3.115 20 30 FGEDMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc(F)c3C#N)cc2)CC1 ZINC000602018561 507557447 /nfs/dbraw/zinc/55/74/47/507557447.db2.gz ZCJHIZSMTUKPCO-UHFFFAOYSA-N 2 1 353.441 3.460 20 30 FGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000602520144 507737162 /nfs/dbraw/zinc/73/71/62/507737162.db2.gz FNNWQQRXWRVXSR-OALUTQOASA-N 2 1 371.525 3.096 20 30 FGEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000602520144 507737168 /nfs/dbraw/zinc/73/71/68/507737168.db2.gz FNNWQQRXWRVXSR-OALUTQOASA-N 2 1 371.525 3.096 20 30 FGEDMP CCCCCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825272295 609155968 /nfs/dbraw/zinc/15/59/68/609155968.db2.gz ZTOLVTXBSHBLHB-UHFFFAOYSA-N 2 1 356.518 3.391 20 30 FGEDMP C[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000303876646 713789544 /nfs/dbraw/zinc/78/95/44/713789544.db2.gz ICGHILGGILZPJE-MRXNPFEDSA-N 2 1 356.539 3.202 20 30 FGEDMP C[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)[N@H+]1CCc2sccc2C1 ZINC000303876646 713789546 /nfs/dbraw/zinc/78/95/46/713789546.db2.gz ICGHILGGILZPJE-MRXNPFEDSA-N 2 1 356.539 3.202 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000644548930 718121738 /nfs/dbraw/zinc/12/17/38/718121738.db2.gz ORYRDOFLKHWLMU-HNNXBMFYSA-N 2 1 373.324 3.363 20 30 FGEDMP CC(C)[N@H+]1CC[C@H](C[NH+]=C(NCCc2cccs2)NC(C)(C)C)C1 ZINC000912506433 757342041 /nfs/dbraw/zinc/34/20/41/757342041.db2.gz MXTYFFIPQSTIGQ-MRXNPFEDSA-N 2 1 350.576 3.355 20 30 FGEDMP FC1(F)[C@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923272233 759093853 /nfs/dbraw/zinc/09/38/53/759093853.db2.gz FCARUGPLIYMVBD-AOOOYVTPSA-N 2 1 366.296 3.089 20 30 FGEDMP C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCC[NH+](C)C1 ZINC000118842646 495046834 /nfs/dbraw/zinc/04/68/34/495046834.db2.gz VTTXQWBILJRDLZ-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842646 495046837 /nfs/dbraw/zinc/04/68/37/495046837.db2.gz VTTXQWBILJRDLZ-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842646 495046841 /nfs/dbraw/zinc/04/68/41/495046841.db2.gz VTTXQWBILJRDLZ-OAHLLOKOSA-N 2 1 374.554 3.101 20 30 FGEDMP COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccn2)[NH+]2CCCCC2)cc1 ZINC000170906133 495649062 /nfs/dbraw/zinc/64/90/62/495649062.db2.gz YZSOGOIPBCKZED-GOSISDBHSA-N 2 1 353.470 3.044 20 30 FGEDMP COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCCC1 ZINC000170912647 495650226 /nfs/dbraw/zinc/65/02/26/495650226.db2.gz KWGLSYXAOSXOTD-QGZVFWFLSA-N 2 1 353.470 3.044 20 30 FGEDMP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152836568 496271632 /nfs/dbraw/zinc/27/16/32/496271632.db2.gz WISRFIWMGBLXBT-IBGZPJMESA-N 2 1 363.505 3.451 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000152989565 496317046 /nfs/dbraw/zinc/31/70/46/496317046.db2.gz UUCYJANTWASHKL-KRWDZBQOSA-N 2 1 362.514 3.412 20 30 FGEDMP COc1cccc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1OC ZINC000181536083 496435664 /nfs/dbraw/zinc/43/56/64/496435664.db2.gz JJMUMQJVOSLJBA-UHFFFAOYSA-N 2 1 365.477 3.330 20 30 FGEDMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c2cccs2)CC1 ZINC000572652611 506020939 /nfs/dbraw/zinc/02/09/39/506020939.db2.gz HPSDEWSLJVDMMV-WOJBJXKFSA-N 2 1 366.534 3.185 20 30 FGEDMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000290356552 498521864 /nfs/dbraw/zinc/52/18/64/498521864.db2.gz QKWZJEQEFBAUID-HNNXBMFYSA-N 2 1 356.445 3.274 20 30 FGEDMP N#Cc1cccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000332994574 498861130 /nfs/dbraw/zinc/86/11/30/498861130.db2.gz BWUFCBRPCIVBAJ-UHFFFAOYSA-N 2 1 350.466 3.349 20 30 FGEDMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000367485679 499204961 /nfs/dbraw/zinc/20/49/61/499204961.db2.gz ZRQFUSKOJSXOKQ-TZIWHRDSSA-N 2 1 368.525 3.002 20 30 FGEDMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)NC2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000367485679 499204963 /nfs/dbraw/zinc/20/49/63/499204963.db2.gz ZRQFUSKOJSXOKQ-TZIWHRDSSA-N 2 1 368.525 3.002 20 30 FGEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370634676 499238177 /nfs/dbraw/zinc/23/81/77/499238177.db2.gz LJINMYXIAADUPY-PBEJRMEISA-N 2 1 350.466 3.155 20 30 FGEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370634676 499238178 /nfs/dbraw/zinc/23/81/78/499238178.db2.gz LJINMYXIAADUPY-PBEJRMEISA-N 2 1 350.466 3.155 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336427 499422163 /nfs/dbraw/zinc/42/21/63/499422163.db2.gz GNODZAFBXYHPJO-SLYNCCJLSA-N 2 1 355.526 3.467 20 30 FGEDMP Cc1cccc(NC2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)[nH+]1 ZINC000369582358 499422462 /nfs/dbraw/zinc/42/24/62/499422462.db2.gz BBDGYRVDXRRQRM-UHFFFAOYSA-N 2 1 369.494 3.228 20 30 FGEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443958323 500783805 /nfs/dbraw/zinc/78/38/05/500783805.db2.gz CWICAQFVRURKBW-UHFFFAOYSA-N 2 1 362.521 3.294 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000469299520 502365966 /nfs/dbraw/zinc/36/59/66/502365966.db2.gz ZZIHMUJWVMWGQK-ZWKOTPCHSA-N 2 1 368.525 3.102 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1)CC(C)C ZINC000469760337 502534769 /nfs/dbraw/zinc/53/47/69/502534769.db2.gz JLINIKODYLPPNI-GOSISDBHSA-N 2 1 362.562 3.017 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1)CC1CC1 ZINC000536736435 503703805 /nfs/dbraw/zinc/70/38/05/503703805.db2.gz MGNIOZAOUYLYRM-UHFFFAOYSA-N 2 1 374.573 3.163 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000517997769 503884709 /nfs/dbraw/zinc/88/47/09/503884709.db2.gz OXWSSIWTUDLZSG-NQIIRXRSSA-N 2 1 370.541 3.162 20 30 FGEDMP C=CCOc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000538761775 504361390 /nfs/dbraw/zinc/36/13/90/504361390.db2.gz BAUTUAIRTPTTGI-UHFFFAOYSA-N 2 1 357.542 3.242 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1)CC(C)C ZINC000567887908 505570196 /nfs/dbraw/zinc/57/01/96/505570196.db2.gz UOOJQJLUHLDOMX-UHFFFAOYSA-N 2 1 368.529 3.181 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(NCC[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000602020385 507556835 /nfs/dbraw/zinc/55/68/35/507556835.db2.gz KUBOZYMDQXOSKS-QFIPXVFZSA-N 2 1 362.521 3.072 20 30 FGEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000262509887 713726762 /nfs/dbraw/zinc/72/67/62/713726762.db2.gz BAHQVDQAXHUWRL-AWEZNQCLSA-N 2 1 369.340 3.485 20 30 FGEDMP C=CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000657750210 719703828 /nfs/dbraw/zinc/70/38/28/719703828.db2.gz CYUWAJYEKWWELS-QGZVFWFLSA-N 2 1 350.890 3.248 20 30 FGEDMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3nc(C#N)cs3)cc2)CC1 ZINC000810150105 725293114 /nfs/dbraw/zinc/29/31/14/725293114.db2.gz LSMHVFDTXULVCS-UHFFFAOYSA-N 2 1 355.511 3.405 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819024795 727339415 /nfs/dbraw/zinc/33/94/15/727339415.db2.gz VMLSQIULVGKHHM-QGZVFWFLSA-N 2 1 353.304 3.113 20 30 FGEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823789923 729304921 /nfs/dbraw/zinc/30/49/21/729304921.db2.gz SJPZDMVTDQKMHM-DLBZAZTESA-N 2 1 351.535 3.262 20 30 FGEDMP C#CCOc1ccc(Br)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000835062840 729854756 /nfs/dbraw/zinc/85/47/56/729854756.db2.gz SDOZQFNRVIVVBQ-UHFFFAOYSA-N 2 1 365.315 3.425 20 30 FGEDMP FC1(F)[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531722 759143605 /nfs/dbraw/zinc/14/36/05/759143605.db2.gz SYTVTRFWTNPUAD-BBBLOLIVSA-N 2 1 366.296 3.089 20 30 FGEDMP FC1(F)[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531722 759143608 /nfs/dbraw/zinc/14/36/08/759143608.db2.gz SYTVTRFWTNPUAD-BBBLOLIVSA-N 2 1 366.296 3.089 20 30 FGEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C#N)c3C)CC2)CC1 ZINC000570940410 505617470 /nfs/dbraw/zinc/61/74/70/505617470.db2.gz SARMKEFWGRFHBF-UHFFFAOYSA-N 2 1 354.498 3.002 20 30 FGEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C2)CC1 ZINC000118834623 495044382 /nfs/dbraw/zinc/04/43/82/495044382.db2.gz NFNZLMZNCVBCPU-HSZRJFAPSA-N 2 1 374.532 3.437 20 30 FGEDMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185670937 495672779 /nfs/dbraw/zinc/67/27/79/495672779.db2.gz GYHCRPBQBWVAFN-SJLPKXTDSA-N 2 1 354.498 3.129 20 30 FGEDMP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388290 495852230 /nfs/dbraw/zinc/85/22/30/495852230.db2.gz QYLPPAIREMOYBG-OAHLLOKOSA-N 2 1 374.916 3.346 20 30 FGEDMP N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000172544556 496335522 /nfs/dbraw/zinc/33/55/22/496335522.db2.gz IIHUVJHXXHQOBU-FQEVSTJZSA-N 2 1 368.525 3.475 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(OCC#N)cc1 ZINC000181415511 496385399 /nfs/dbraw/zinc/38/53/99/496385399.db2.gz UAQBFDOFSURAFD-GOSISDBHSA-N 2 1 365.477 3.272 20 30 FGEDMP CC(C)C[NH+]1CCC(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181458737 496405317 /nfs/dbraw/zinc/40/53/17/496405317.db2.gz BWDWLGWKACXROY-UHFFFAOYSA-N 2 1 354.542 3.233 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002710 496748241 /nfs/dbraw/zinc/74/82/41/496748241.db2.gz PCHHCWLOOYZZFX-QUCCMNQESA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002710 496748246 /nfs/dbraw/zinc/74/82/46/496748246.db2.gz PCHHCWLOOYZZFX-QUCCMNQESA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000247002710 496748250 /nfs/dbraw/zinc/74/82/50/496748250.db2.gz PCHHCWLOOYZZFX-QUCCMNQESA-N 2 1 368.525 3.473 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278934760 497272787 /nfs/dbraw/zinc/27/27/87/497272787.db2.gz TVLVHAUHYXULNK-HXUWFJFHSA-N 2 1 350.466 3.004 20 30 FGEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000268410125 497743425 /nfs/dbraw/zinc/74/34/25/497743425.db2.gz AJFUJIGCJLQUKA-HXUWFJFHSA-N 2 1 354.498 3.083 20 30 FGEDMP C[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1cccs1 ZINC000360094965 498246547 /nfs/dbraw/zinc/24/65/47/498246547.db2.gz BSMYQZILWLVQMP-BEFAXECRSA-N 2 1 351.479 3.050 20 30 FGEDMP Cc1ccnc(C)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000286960999 498569571 /nfs/dbraw/zinc/56/95/71/498569571.db2.gz ARQJUDHECUMOSQ-UHFFFAOYSA-N 2 1 363.465 3.310 20 30 FGEDMP COCc1ccccc1NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000305009474 498735398 /nfs/dbraw/zinc/73/53/98/498735398.db2.gz CSPGWUIPSQAPSP-UHFFFAOYSA-N 2 1 367.428 3.393 20 30 FGEDMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472005 499203206 /nfs/dbraw/zinc/20/32/06/499203206.db2.gz AWBBGEHZRPWOHM-HSALFYBXSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472005 499203207 /nfs/dbraw/zinc/20/32/07/499203207.db2.gz AWBBGEHZRPWOHM-HSALFYBXSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472005 499203208 /nfs/dbraw/zinc/20/32/08/499203208.db2.gz AWBBGEHZRPWOHM-HSALFYBXSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1OCCCC#N ZINC000367472005 499203209 /nfs/dbraw/zinc/20/32/09/499203209.db2.gz AWBBGEHZRPWOHM-HSALFYBXSA-N 2 1 369.509 3.294 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000368051523 499259630 /nfs/dbraw/zinc/25/96/30/499259630.db2.gz NJVMZHWWYFPWIT-UHFFFAOYSA-N 2 1 362.481 3.491 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000368051523 499259631 /nfs/dbraw/zinc/25/96/31/499259631.db2.gz NJVMZHWWYFPWIT-UHFFFAOYSA-N 2 1 362.481 3.491 20 30 FGEDMP CC(C)c1nccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257798 499384067 /nfs/dbraw/zinc/38/40/67/499384067.db2.gz JLYQKXPIRQZDKV-GOSISDBHSA-N 2 1 351.454 3.154 20 30 FGEDMP N#Cc1ccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000380636611 499543499 /nfs/dbraw/zinc/54/34/99/499543499.db2.gz JMCFDBSAAXIVCD-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000380636611 499543500 /nfs/dbraw/zinc/54/35/00/499543500.db2.gz JMCFDBSAAXIVCD-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000380636611 499543502 /nfs/dbraw/zinc/54/35/02/499543502.db2.gz JMCFDBSAAXIVCD-FGZHOGPDSA-N 2 1 361.489 3.391 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414935838 499846432 /nfs/dbraw/zinc/84/64/32/499846432.db2.gz BAYMNJHGHDYVOC-DOMZBBRYSA-N 2 1 369.303 3.110 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414953906 499848311 /nfs/dbraw/zinc/84/83/11/499848311.db2.gz SATGDEILNJFZKF-JSGCOSHPSA-N 2 1 369.303 3.253 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000421321611 500017079 /nfs/dbraw/zinc/01/70/79/500017079.db2.gz CBJLBQYCXZVWRJ-JOCHJYFZSA-N 2 1 366.484 3.166 20 30 FGEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000444630394 500869865 /nfs/dbraw/zinc/86/98/65/500869865.db2.gz ZXSMFVRLXTUGNC-SFHVURJKSA-N 2 1 354.502 3.087 20 30 FGEDMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481921924 501918518 /nfs/dbraw/zinc/91/85/18/501918518.db2.gz MSTHNCMXZHOHRE-QFIPXVFZSA-N 2 1 354.542 3.189 20 30 FGEDMP C=CCOc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000536708674 503692522 /nfs/dbraw/zinc/69/25/22/503692522.db2.gz MSSGJTOXLXQONE-UHFFFAOYSA-N 2 1 357.542 3.242 20 30 FGEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(C#N)c3F)CC2)CC1 ZINC000540346617 503745496 /nfs/dbraw/zinc/74/54/96/503745496.db2.gz NMDGUESHUNZVRK-UHFFFAOYSA-N 2 1 372.532 3.325 20 30 FGEDMP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535228031 504376943 /nfs/dbraw/zinc/37/69/43/504376943.db2.gz WLHOXAVVJVHISM-UHFFFAOYSA-N 2 1 357.498 3.289 20 30 FGEDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535228031 504376950 /nfs/dbraw/zinc/37/69/50/504376950.db2.gz WLHOXAVVJVHISM-UHFFFAOYSA-N 2 1 357.498 3.289 20 30 FGEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C(C)C ZINC000520704657 504560542 /nfs/dbraw/zinc/56/05/42/504560542.db2.gz WTDWBVORGSWWHO-ICSRJNTNSA-N 2 1 362.562 3.001 20 30 FGEDMP N#Cc1ccc(C[N@H+]2CCCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072350 505153225 /nfs/dbraw/zinc/15/32/25/505153225.db2.gz UXVNTDFFZNVYTB-XMMPIXPASA-N 2 1 374.532 3.340 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072350 505153228 /nfs/dbraw/zinc/15/32/28/505153228.db2.gz UXVNTDFFZNVYTB-XMMPIXPASA-N 2 1 374.532 3.340 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000551072350 505153231 /nfs/dbraw/zinc/15/32/31/505153231.db2.gz UXVNTDFFZNVYTB-XMMPIXPASA-N 2 1 374.532 3.340 20 30 FGEDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600727542 507085746 /nfs/dbraw/zinc/08/57/46/507085746.db2.gz XFRLSOLJRGLCOE-IBGZPJMESA-N 2 1 353.466 3.056 20 30 FGEDMP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000594974190 507337529 /nfs/dbraw/zinc/33/75/29/507337529.db2.gz HMYMRCQIIMIAJJ-JOCHJYFZSA-N 2 1 363.505 3.344 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594784 507510245 /nfs/dbraw/zinc/51/02/45/507510245.db2.gz JSSFSHBMYHRXTG-UNMCSNQZSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000598594784 507510253 /nfs/dbraw/zinc/51/02/53/507510253.db2.gz JSSFSHBMYHRXTG-UNMCSNQZSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000598594784 507510260 /nfs/dbraw/zinc/51/02/60/507510260.db2.gz JSSFSHBMYHRXTG-UNMCSNQZSA-N 2 1 355.526 3.275 20 30 FGEDMP CCC[N@H+](Cc1cccc(C#N)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000602469427 507718323 /nfs/dbraw/zinc/71/83/23/507718323.db2.gz RZIXLDSCYIELNC-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP CCC[N@@H+](Cc1cccc(C#N)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000602469427 507718326 /nfs/dbraw/zinc/71/83/26/507718326.db2.gz RZIXLDSCYIELNC-UHFFFAOYSA-N 2 1 364.497 3.241 20 30 FGEDMP C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000303872223 713789571 /nfs/dbraw/zinc/78/95/71/713789571.db2.gz BWWYNFIFBBYTGJ-STQMWFEESA-N 2 1 358.408 3.432 20 30 FGEDMP C=CC[C@@]1(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000662678099 720451906 /nfs/dbraw/zinc/45/19/06/720451906.db2.gz BHPLCZWOGRBOLQ-QUCCMNQESA-N 2 1 361.917 3.291 20 30 FGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000746676168 722614423 /nfs/dbraw/zinc/61/44/23/722614423.db2.gz SYZYNXJTTPOPSH-GOSISDBHSA-N 2 1 365.905 3.175 20 30 FGEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000746676168 722614424 /nfs/dbraw/zinc/61/44/24/722614424.db2.gz SYZYNXJTTPOPSH-GOSISDBHSA-N 2 1 365.905 3.175 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000843399851 730614883 /nfs/dbraw/zinc/61/48/83/730614883.db2.gz UPARUCLKHWKECG-WMZOPIPTSA-N 2 1 351.535 3.262 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000576816415 505601423 /nfs/dbraw/zinc/60/14/23/505601423.db2.gz VEUJUIVKEUHJRH-HXUWFJFHSA-N 2 1 354.494 3.210 20 30 FGEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000092821050 494762757 /nfs/dbraw/zinc/76/27/57/494762757.db2.gz JABCRWGDIWHWEY-JOCHJYFZSA-N 2 1 364.493 3.225 20 30 FGEDMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000116396298 494773846 /nfs/dbraw/zinc/77/38/46/494773846.db2.gz IYCVBAXZDAETHE-DYVFJYSZSA-N 2 1 364.921 3.495 20 30 FGEDMP N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000118834188 495044847 /nfs/dbraw/zinc/04/48/47/495044847.db2.gz UOJPWSMCCWKKLN-IBGZPJMESA-N 2 1 368.525 3.475 20 30 FGEDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000112648738 495217332 /nfs/dbraw/zinc/21/73/32/495217332.db2.gz DDVUAPZYUTZZTN-HXUWFJFHSA-N 2 1 368.525 3.331 20 30 FGEDMP C=C(C)CN(CC)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184747045 496516160 /nfs/dbraw/zinc/51/61/60/496516160.db2.gz FWRFOUNMGUVAIA-OALUTQOASA-N 2 1 357.542 3.157 20 30 FGEDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007409 496750110 /nfs/dbraw/zinc/75/01/10/496750110.db2.gz PJNSMYLPQZFRTG-ICSRJNTNSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007409 496750115 /nfs/dbraw/zinc/75/01/15/496750115.db2.gz PJNSMYLPQZFRTG-ICSRJNTNSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000247007409 496750120 /nfs/dbraw/zinc/75/01/20/496750120.db2.gz PJNSMYLPQZFRTG-ICSRJNTNSA-N 2 1 368.525 3.473 20 30 FGEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248611984 497056654 /nfs/dbraw/zinc/05/66/54/497056654.db2.gz XTWLDCOXAHCGTN-SYYKKAFVSA-N 2 1 372.553 3.397 20 30 FGEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356319 497416615 /nfs/dbraw/zinc/41/66/15/497416615.db2.gz GTWKCMFAPPRDBI-HXUWFJFHSA-N 2 1 366.513 3.165 20 30 FGEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356319 497416621 /nfs/dbraw/zinc/41/66/21/497416621.db2.gz GTWKCMFAPPRDBI-HXUWFJFHSA-N 2 1 366.513 3.165 20 30 FGEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356319 497416624 /nfs/dbraw/zinc/41/66/24/497416624.db2.gz GTWKCMFAPPRDBI-HXUWFJFHSA-N 2 1 366.513 3.165 20 30 FGEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279356319 497416628 /nfs/dbraw/zinc/41/66/28/497416628.db2.gz GTWKCMFAPPRDBI-HXUWFJFHSA-N 2 1 366.513 3.165 20 30 FGEDMP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246480569 497748238 /nfs/dbraw/zinc/74/82/38/497748238.db2.gz ADFDEEIIHUNZPP-BRWVUGGUSA-N 2 1 374.554 3.291 20 30 FGEDMP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]cn3)CC2)C[N@H+]1Cc1ccccc1 ZINC000329772383 497896222 /nfs/dbraw/zinc/89/62/22/497896222.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 2 1 367.497 3.166 20 30 FGEDMP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000329772383 497896229 /nfs/dbraw/zinc/89/62/29/497896229.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 2 1 367.497 3.166 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000362235391 498478172 /nfs/dbraw/zinc/47/81/72/498478172.db2.gz KNFUOZARZANKCU-NRFANRHFSA-N 2 1 352.526 3.129 20 30 FGEDMP C=CCc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc(OC)c1O ZINC000293897873 498526070 /nfs/dbraw/zinc/52/60/70/498526070.db2.gz FEHAQWODUOFDEI-YOFSQIOKSA-N 2 1 374.525 3.203 20 30 FGEDMP C=CCc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc(OC)c1O ZINC000293897873 498526074 /nfs/dbraw/zinc/52/60/74/498526074.db2.gz FEHAQWODUOFDEI-YOFSQIOKSA-N 2 1 374.525 3.203 20 30 FGEDMP C=CCc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc(OC)c1O ZINC000293897873 498526080 /nfs/dbraw/zinc/52/60/80/498526080.db2.gz FEHAQWODUOFDEI-YOFSQIOKSA-N 2 1 374.525 3.203 20 30 FGEDMP C=CCc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc(OC)c1O ZINC000293897873 498526084 /nfs/dbraw/zinc/52/60/84/498526084.db2.gz FEHAQWODUOFDEI-YOFSQIOKSA-N 2 1 374.525 3.203 20 30 FGEDMP Cc1cccc(NC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)[nH+]1 ZINC000363229327 498715878 /nfs/dbraw/zinc/71/58/78/498715878.db2.gz CNJCYYWLCHLSFE-UHFFFAOYSA-N 2 1 363.465 3.167 20 30 FGEDMP N#Cc1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000333032277 498875744 /nfs/dbraw/zinc/87/57/44/498875744.db2.gz MMTBAEPVMGHNET-UHFFFAOYSA-N 2 1 350.466 3.349 20 30 FGEDMP COc1cc(C)[nH+]c(CN2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000328867758 498967649 /nfs/dbraw/zinc/96/76/49/498967649.db2.gz OKZHCKRFOCAHFD-SJLPKXTDSA-N 2 1 374.529 3.051 20 30 FGEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(C#N)C3CCCCC3)CC2)CC1 ZINC000576291074 506123616 /nfs/dbraw/zinc/12/36/16/506123616.db2.gz YBSWOXSJLQHEOL-JOCHJYFZSA-N 2 1 374.573 3.161 20 30 FGEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366884447 499105274 /nfs/dbraw/zinc/10/52/74/499105274.db2.gz NSPILRAONXMGFT-IBGZPJMESA-N 2 1 368.525 3.130 20 30 FGEDMP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000369341718 499393235 /nfs/dbraw/zinc/39/32/35/499393235.db2.gz GBSQMDNUAVKWOG-YUXAGFNASA-N 2 1 356.510 3.068 20 30 FGEDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000459732717 501705963 /nfs/dbraw/zinc/70/59/63/501705963.db2.gz MPUUPVKIXCZCIF-SFHVURJKSA-N 2 1 351.498 3.285 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1C#N ZINC000482142683 501987770 /nfs/dbraw/zinc/98/77/70/501987770.db2.gz LRXOOVOPVUQNOK-XKGZKEIXSA-N 2 1 356.514 3.375 20 30 FGEDMP C[N@@H+](CCOc1cccc(C#N)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030632 502915548 /nfs/dbraw/zinc/91/55/48/502915548.db2.gz MJRBCCRIXGFSDK-UHFFFAOYSA-N 2 1 350.466 3.180 20 30 FGEDMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000506618707 503144794 /nfs/dbraw/zinc/14/47/94/503144794.db2.gz UBKHIHVOTZVNCJ-UHFFFAOYSA-N 2 1 362.905 3.345 20 30 FGEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000507984537 503408805 /nfs/dbraw/zinc/40/88/05/503408805.db2.gz GNJVWDMWJLMFRC-UHFFFAOYSA-N 2 1 374.554 3.295 20 30 FGEDMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#CC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469104 503562488 /nfs/dbraw/zinc/56/24/88/503562488.db2.gz OANMBDTYZPNDLQ-LRSLUSHPSA-N 2 1 364.574 3.021 20 30 FGEDMP C[C@@H](O)C[C@@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469104 503562491 /nfs/dbraw/zinc/56/24/91/503562491.db2.gz OANMBDTYZPNDLQ-LRSLUSHPSA-N 2 1 364.574 3.021 20 30 FGEDMP C[C@@H](O)C[C@@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512469104 503562493 /nfs/dbraw/zinc/56/24/93/503562493.db2.gz OANMBDTYZPNDLQ-LRSLUSHPSA-N 2 1 364.574 3.021 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554960534 505312943 /nfs/dbraw/zinc/31/29/43/505312943.db2.gz OFIXRECKBIEVSE-NNWRFLSQSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554960534 505312946 /nfs/dbraw/zinc/31/29/46/505312946.db2.gz OFIXRECKBIEVSE-NNWRFLSQSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554960534 505312949 /nfs/dbraw/zinc/31/29/49/505312949.db2.gz OFIXRECKBIEVSE-NNWRFLSQSA-N 2 1 367.537 3.029 20 30 FGEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554960534 505312952 /nfs/dbraw/zinc/31/29/52/505312952.db2.gz OFIXRECKBIEVSE-NNWRFLSQSA-N 2 1 367.537 3.029 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)c(C#N)c1C ZINC000603111584 506424307 /nfs/dbraw/zinc/42/43/07/506424307.db2.gz RZROHGUAAGZDTK-INIZCTEOSA-N 2 1 360.502 3.293 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)c(C#N)c1C ZINC000603111584 506424314 /nfs/dbraw/zinc/42/43/14/506424314.db2.gz RZROHGUAAGZDTK-INIZCTEOSA-N 2 1 360.502 3.293 20 30 FGEDMP CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658569 506559941 /nfs/dbraw/zinc/55/99/41/506559941.db2.gz BXOVQFPVKWQXTG-UHFFFAOYSA-N 2 1 350.466 3.080 20 30 FGEDMP CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658569 506559947 /nfs/dbraw/zinc/55/99/47/506559947.db2.gz BXOVQFPVKWQXTG-UHFFFAOYSA-N 2 1 350.466 3.080 20 30 FGEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000594919564 507315415 /nfs/dbraw/zinc/31/54/15/507315415.db2.gz BNAPEXCSIOFFRG-GHTZIAJQSA-N 2 1 355.526 3.468 20 30 FGEDMP CC(C)(C)[C@@]1(C[NH+]2CCN(CC#N)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000602453568 507714801 /nfs/dbraw/zinc/71/48/01/507714801.db2.gz HYULWPZFQUTDJK-JOCHJYFZSA-N 2 1 354.542 3.066 20 30 FGEDMP CC(C)(C)[C@@]1(C[NH+]2CCN(CC#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000602453568 507714804 /nfs/dbraw/zinc/71/48/04/507714804.db2.gz HYULWPZFQUTDJK-JOCHJYFZSA-N 2 1 354.542 3.066 20 30 FGEDMP C=CC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256529 720405569 /nfs/dbraw/zinc/40/55/69/720405569.db2.gz IXOWSCNGMJNELD-HNNXBMFYSA-N 2 1 369.278 3.097 20 30 FGEDMP C=CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662256529 720405571 /nfs/dbraw/zinc/40/55/71/720405571.db2.gz IXOWSCNGMJNELD-HNNXBMFYSA-N 2 1 369.278 3.097 20 30 FGEDMP COCC[N@H+](Cc1cc(Cl)ccc1OCC#N)CC1CC[NH+](C)CC1 ZINC000879125157 736958534 /nfs/dbraw/zinc/95/85/34/736958534.db2.gz RMIYLCJFMSFFGB-UHFFFAOYSA-N 2 1 365.905 3.033 20 30 FGEDMP C=CCC1(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CCCC1 ZINC000570942565 505617910 /nfs/dbraw/zinc/61/79/10/505617910.db2.gz YGLOCRMXVGKYLJ-UHFFFAOYSA-N 2 1 361.574 3.435 20 30 FGEDMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574183237 505714808 /nfs/dbraw/zinc/71/48/08/505714808.db2.gz WAOAHIKLULXJFP-GUDVDZBRSA-N 2 1 354.542 3.483 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000121188841 494638190 /nfs/dbraw/zinc/63/81/90/494638190.db2.gz MBQVBWSQJSKMKG-UHFFFAOYSA-N 2 1 369.303 3.206 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130509265 495403381 /nfs/dbraw/zinc/40/33/81/495403381.db2.gz ZQVBTCPBVGZXHC-ZDUSSCGKSA-N 2 1 359.861 3.066 20 30 FGEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000130509265 495403384 /nfs/dbraw/zinc/40/33/84/495403384.db2.gz ZQVBTCPBVGZXHC-ZDUSSCGKSA-N 2 1 359.861 3.066 20 30 FGEDMP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000106262904 495440650 /nfs/dbraw/zinc/44/06/50/495440650.db2.gz SDYPNIKMHWWECW-UHFFFAOYSA-N 2 1 372.557 3.367 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170912570 495649870 /nfs/dbraw/zinc/64/98/70/495649870.db2.gz WEQHMYYDFFEOBT-CALCHBBNSA-N 2 1 351.498 3.486 20 30 FGEDMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000191476354 496775983 /nfs/dbraw/zinc/77/59/83/496775983.db2.gz XODJTPNCAAHOLV-INIZCTEOSA-N 2 1 353.470 3.056 20 30 FGEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000191476354 496775991 /nfs/dbraw/zinc/77/59/91/496775991.db2.gz XODJTPNCAAHOLV-INIZCTEOSA-N 2 1 353.470 3.056 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1OC ZINC000264118599 496816653 /nfs/dbraw/zinc/81/66/53/496816653.db2.gz UCBDRYQBCOTFRV-KRWDZBQOSA-N 2 1 356.470 3.042 20 30 FGEDMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCO1 ZINC000278438138 497114476 /nfs/dbraw/zinc/11/44/76/497114476.db2.gz HIXYDDHQXLMYEG-KPQWGBOZSA-N 2 1 355.526 3.481 20 30 FGEDMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCCO1 ZINC000278438138 497114483 /nfs/dbraw/zinc/11/44/83/497114483.db2.gz HIXYDDHQXLMYEG-KPQWGBOZSA-N 2 1 355.526 3.481 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418822 497434787 /nfs/dbraw/zinc/43/47/87/497434787.db2.gz OSBIAFXCFLYMQH-PXNSSMCTSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418822 497434791 /nfs/dbraw/zinc/43/47/91/497434791.db2.gz OSBIAFXCFLYMQH-PXNSSMCTSA-N 2 1 366.513 3.021 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H](C)C1 ZINC000279418822 497434793 /nfs/dbraw/zinc/43/47/93/497434793.db2.gz OSBIAFXCFLYMQH-PXNSSMCTSA-N 2 1 366.513 3.021 20 30 FGEDMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328777308 498935760 /nfs/dbraw/zinc/93/57/60/498935760.db2.gz DALQJZMHICVYJU-IIBYNOLFSA-N 2 1 373.497 3.242 20 30 FGEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438358 499121917 /nfs/dbraw/zinc/12/19/17/499121917.db2.gz APWWJQIWNZUPME-IRXDYDNUSA-N 2 1 372.513 3.206 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(C#N)c2)cc1 ZINC000371623716 499348406 /nfs/dbraw/zinc/34/84/06/499348406.db2.gz DLYSBVGUOKYYLQ-MRXNPFEDSA-N 2 1 373.460 3.019 20 30 FGEDMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCCC#N)C1CCCCC1 ZINC000424151023 500460591 /nfs/dbraw/zinc/46/05/91/500460591.db2.gz GXXDHPSBFQOJOO-FQEVSTJZSA-N 2 1 356.514 3.088 20 30 FGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)c(C)c3)cc2)CC1 ZINC000443965924 500784780 /nfs/dbraw/zinc/78/47/80/500784780.db2.gz MXRSSDSNWWGVQK-UHFFFAOYSA-N 2 1 362.521 3.294 20 30 FGEDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000482151617 501991229 /nfs/dbraw/zinc/99/12/29/501991229.db2.gz OQDQBWVYJRUAMO-FHWLQOOXSA-N 2 1 362.562 3.208 20 30 FGEDMP C=CCOc1ccc(C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)(C)C)cc1 ZINC000514074126 503080932 /nfs/dbraw/zinc/08/09/32/503080932.db2.gz IWOCOVXCNPRWSR-UHFFFAOYSA-N 2 1 373.541 3.016 20 30 FGEDMP C=CCOc1ccc(C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)(C)C)cc1 ZINC000514074126 503080934 /nfs/dbraw/zinc/08/09/34/503080934.db2.gz IWOCOVXCNPRWSR-UHFFFAOYSA-N 2 1 373.541 3.016 20 30 FGEDMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544016 503193365 /nfs/dbraw/zinc/19/33/65/503193365.db2.gz LOTVMRKRRXQJKM-UZLBHIALSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544016 503193369 /nfs/dbraw/zinc/19/33/69/503193369.db2.gz LOTVMRKRRXQJKM-UZLBHIALSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544016 503193371 /nfs/dbraw/zinc/19/33/71/503193371.db2.gz LOTVMRKRRXQJKM-UZLBHIALSA-N 2 1 351.498 3.263 20 30 FGEDMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000490544016 503193373 /nfs/dbraw/zinc/19/33/73/503193373.db2.gz LOTVMRKRRXQJKM-UZLBHIALSA-N 2 1 351.498 3.263 20 30 FGEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000502695943 503253287 /nfs/dbraw/zinc/25/32/87/503253287.db2.gz ZZMHXXHKAUIAGV-QGZVFWFLSA-N 2 1 365.485 3.197 20 30 FGEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000502695943 503253288 /nfs/dbraw/zinc/25/32/88/503253288.db2.gz ZZMHXXHKAUIAGV-QGZVFWFLSA-N 2 1 365.485 3.197 20 30 FGEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000507460946 503302779 /nfs/dbraw/zinc/30/27/79/503302779.db2.gz KDDNYOMYVSLOQX-YMPZKCBVSA-N 2 1 361.489 3.437 20 30 FGEDMP C[N@@H+](CCCCC(C)(C)C#N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511810944 503392588 /nfs/dbraw/zinc/39/25/88/503392588.db2.gz QIHIDIQLNCPKAI-UHFFFAOYSA-N 2 1 356.558 3.456 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000533312210 503803599 /nfs/dbraw/zinc/80/35/99/503803599.db2.gz DGUHWIVNXDNZDQ-QFIPXVFZSA-N 2 1 366.484 3.166 20 30 FGEDMP C=CCOc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518248603 503935961 /nfs/dbraw/zinc/93/59/61/503935961.db2.gz SILIVHYNNFJTMK-LJQANCHMSA-N 2 1 371.550 3.391 20 30 FGEDMP C=C[C@@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000534694693 504217397 /nfs/dbraw/zinc/21/73/97/504217397.db2.gz DHXYVSWYDJNUAJ-FPOVZHCZSA-N 2 1 357.542 3.221 20 30 FGEDMP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000589315668 506515356 /nfs/dbraw/zinc/51/53/56/506515356.db2.gz ONQXPXGECYNMTI-ROUUACIJSA-N 2 1 367.415 3.044 20 30 FGEDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000599657746 506557861 /nfs/dbraw/zinc/55/78/61/506557861.db2.gz LLZLMMUQLMFOFD-DYESRHJHSA-N 2 1 358.530 3.013 20 30 FGEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000589495005 506569239 /nfs/dbraw/zinc/56/92/39/506569239.db2.gz MQPDDKHKWMMZCL-UHFFFAOYSA-N 2 1 367.415 3.121 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441237 507135604 /nfs/dbraw/zinc/13/56/04/507135604.db2.gz PMVRJAATWDEDAI-UEXGIBASSA-N 2 1 370.541 3.192 20 30 FGEDMP C=CC[N@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1 ZINC000613612783 507181754 /nfs/dbraw/zinc/18/17/54/507181754.db2.gz PWHOGCKQDXNIDP-UHFFFAOYSA-N 2 1 369.534 3.081 20 30 FGEDMP C=CC[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1 ZINC000613612783 507181765 /nfs/dbraw/zinc/18/17/65/507181765.db2.gz PWHOGCKQDXNIDP-UHFFFAOYSA-N 2 1 369.534 3.081 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000598594782 507511110 /nfs/dbraw/zinc/51/11/10/507511110.db2.gz JSSFSHBMYHRXTG-IRLDBZIGSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000598594782 507511114 /nfs/dbraw/zinc/51/11/14/507511114.db2.gz JSSFSHBMYHRXTG-IRLDBZIGSA-N 2 1 355.526 3.275 20 30 FGEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000598594782 507511116 /nfs/dbraw/zinc/51/11/16/507511116.db2.gz JSSFSHBMYHRXTG-IRLDBZIGSA-N 2 1 355.526 3.275 20 30 FGEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCCCCC3)CC2)cs1 ZINC000305034970 713792155 /nfs/dbraw/zinc/79/21/55/713792155.db2.gz BFEIFOSQXUGJCD-UHFFFAOYSA-N 2 1 363.575 3.108 20 30 FGEDMP C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[N@H+]1CCC[C@H](C)C1 ZINC000305240054 713792796 /nfs/dbraw/zinc/79/27/96/713792796.db2.gz QRBJBMKSFIRDAX-STQMWFEESA-N 2 1 358.408 3.432 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819023116 727339276 /nfs/dbraw/zinc/33/92/76/727339276.db2.gz AXDFZGSAKHJMOT-KRWDZBQOSA-N 2 1 353.304 3.113 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000843399850 730615040 /nfs/dbraw/zinc/61/50/40/730615040.db2.gz UPARUCLKHWKECG-SJLPKXTDSA-N 2 1 351.535 3.262 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000843399849 730615050 /nfs/dbraw/zinc/61/50/50/730615050.db2.gz UPARUCLKHWKECG-FUHWJXTLSA-N 2 1 351.535 3.262 20 30 FGEDMP CS[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](SC)C3)c2)C1 ZINC000878665769 736905672 /nfs/dbraw/zinc/90/56/72/736905672.db2.gz LPLHCADQTSVQKA-OALUTQOASA-N 2 1 361.580 3.433 20 30 FGEDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000113330766 495297384 /nfs/dbraw/zinc/29/73/84/495297384.db2.gz BKMXXRRPBDQADH-GOSISDBHSA-N 2 1 351.498 3.285 20 30 FGEDMP C[C@@H]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@@H+]1Cc1ccccc1 ZINC000120332361 495353991 /nfs/dbraw/zinc/35/39/91/495353991.db2.gz AQAUHZKFLUMHDW-XLIONFOSSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@@H]1C[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C[N@H+]1Cc1ccccc1 ZINC000120332361 495353996 /nfs/dbraw/zinc/35/39/96/495353996.db2.gz AQAUHZKFLUMHDW-XLIONFOSSA-N 2 1 359.477 3.206 20 30 FGEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151140351 495751783 /nfs/dbraw/zinc/75/17/83/495751783.db2.gz RMDWTZYTRNKHIM-UTKZUKDTSA-N 2 1 368.525 3.061 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000151140351 495751786 /nfs/dbraw/zinc/75/17/86/495751786.db2.gz RMDWTZYTRNKHIM-UTKZUKDTSA-N 2 1 368.525 3.061 20 30 FGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CC2 ZINC000574611995 505813825 /nfs/dbraw/zinc/81/38/25/505813825.db2.gz RFGBGHPOHKNAFB-JTHBVZDNSA-N 2 1 361.489 3.292 20 30 FGEDMP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000152836664 496271277 /nfs/dbraw/zinc/27/12/77/496271277.db2.gz WISRFIWMGBLXBT-LJQANCHMSA-N 2 1 363.505 3.451 20 30 FGEDMP COc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1OC ZINC000264118601 496816317 /nfs/dbraw/zinc/81/63/17/496816317.db2.gz UCBDRYQBCOTFRV-QGZVFWFLSA-N 2 1 356.470 3.042 20 30 FGEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000267466673 497559474 /nfs/dbraw/zinc/55/94/74/497559474.db2.gz WNJGNAUGZXKXEQ-UHFFFAOYSA-N 2 1 353.392 3.095 20 30 FGEDMP C=CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000294242369 498630173 /nfs/dbraw/zinc/63/01/73/498630173.db2.gz ZWVNIMLCOQROHU-YOFSQIOKSA-N 2 1 374.525 3.334 20 30 FGEDMP C=CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1OC ZINC000294242369 498630181 /nfs/dbraw/zinc/63/01/81/498630181.db2.gz ZWVNIMLCOQROHU-YOFSQIOKSA-N 2 1 374.525 3.334 20 30 FGEDMP C=CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000294242369 498630186 /nfs/dbraw/zinc/63/01/86/498630186.db2.gz ZWVNIMLCOQROHU-YOFSQIOKSA-N 2 1 374.525 3.334 20 30 FGEDMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000328754654 498927904 /nfs/dbraw/zinc/92/79/04/498927904.db2.gz DVMLGAYXWOIYHR-QGZVFWFLSA-N 2 1 359.514 3.496 20 30 FGEDMP CN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000328869497 498966707 /nfs/dbraw/zinc/96/67/07/498966707.db2.gz XRWSOKFLNLLBKF-ROUUACIJSA-N 2 1 374.554 3.029 20 30 FGEDMP CCC[N@@H+](CCCSCC#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000369899758 499147890 /nfs/dbraw/zinc/14/78/90/499147890.db2.gz JRHKLQXOFHSJOE-UHFFFAOYSA-N 2 1 361.559 3.421 20 30 FGEDMP CCC[N@H+](CCCSCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369899758 499147893 /nfs/dbraw/zinc/14/78/93/499147893.db2.gz JRHKLQXOFHSJOE-UHFFFAOYSA-N 2 1 361.559 3.421 20 30 FGEDMP CCC[N@@H+](CCCSCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369899758 499147895 /nfs/dbraw/zinc/14/78/95/499147895.db2.gz JRHKLQXOFHSJOE-UHFFFAOYSA-N 2 1 361.559 3.421 20 30 FGEDMP COc1ccc(C#N)cc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372951220 499444487 /nfs/dbraw/zinc/44/44/87/499444487.db2.gz WEGAOWIPMRVXCY-UHFFFAOYSA-N 2 1 350.466 3.310 20 30 FGEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000375594678 499536154 /nfs/dbraw/zinc/53/61/54/499536154.db2.gz BPZUMNFEABHFPK-VXKWHMMOSA-N 2 1 354.542 3.174 20 30 FGEDMP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414790396 499831312 /nfs/dbraw/zinc/83/13/12/499831312.db2.gz ZTOKGBRZOLILTE-INIZCTEOSA-N 2 1 350.890 3.092 20 30 FGEDMP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414790396 499831314 /nfs/dbraw/zinc/83/13/14/499831314.db2.gz ZTOKGBRZOLILTE-INIZCTEOSA-N 2 1 350.890 3.092 20 30 FGEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)c(F)c3)c2)CCO1 ZINC000421319904 500016343 /nfs/dbraw/zinc/01/63/43/500016343.db2.gz BFGKHURSIZLFDL-MRXNPFEDSA-N 2 1 353.441 3.208 20 30 FGEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)c(F)c3)c2)CCO1 ZINC000421319904 500016347 /nfs/dbraw/zinc/01/63/47/500016347.db2.gz BFGKHURSIZLFDL-MRXNPFEDSA-N 2 1 353.441 3.208 20 30 FGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000442899861 500643883 /nfs/dbraw/zinc/64/38/83/500643883.db2.gz LVIRLHKSPJNPLG-CEXWTWQISA-N 2 1 371.525 3.209 20 30 FGEDMP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000442899861 500643887 /nfs/dbraw/zinc/64/38/87/500643887.db2.gz LVIRLHKSPJNPLG-CEXWTWQISA-N 2 1 371.525 3.209 20 30 FGEDMP C[N@@H+](CCOc1ccccc1C#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023752 502914228 /nfs/dbraw/zinc/91/42/28/502914228.db2.gz VDXVRMIJFALTNO-UHFFFAOYSA-N 2 1 350.466 3.180 20 30 FGEDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000540701237 503859895 /nfs/dbraw/zinc/85/98/95/503859895.db2.gz CNBDOJQNBDRATH-HNAYVOBHSA-N 2 1 372.513 3.398 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000539602766 504622616 /nfs/dbraw/zinc/62/26/16/504622616.db2.gz PZPUVPRJXCTHDE-MRXNPFEDSA-N 2 1 353.441 3.380 20 30 FGEDMP N#CC1(c2ccc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cc2)CC1 ZINC000594974235 507338377 /nfs/dbraw/zinc/33/83/77/507338377.db2.gz IYIQTALOISPFGT-QFIPXVFZSA-N 2 1 361.489 3.098 20 30 FGEDMP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167272 507392696 /nfs/dbraw/zinc/39/26/96/507392696.db2.gz GANDDHWEFOGLCM-OAQYLSRUSA-N 2 1 354.542 3.090 20 30 FGEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167272 507392712 /nfs/dbraw/zinc/39/27/12/507392712.db2.gz GANDDHWEFOGLCM-OAQYLSRUSA-N 2 1 354.542 3.090 20 30 FGEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614167272 507392717 /nfs/dbraw/zinc/39/27/17/507392717.db2.gz GANDDHWEFOGLCM-OAQYLSRUSA-N 2 1 354.542 3.090 20 30 FGEDMP C=CCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788277 719471339 /nfs/dbraw/zinc/47/13/39/719471339.db2.gz HMGJSBJYVHSCCQ-UHFFFAOYSA-N 2 1 369.303 3.384 20 30 FGEDMP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CCC[NH2+]1 ZINC000662796262 720458985 /nfs/dbraw/zinc/45/89/85/720458985.db2.gz JVZOSUGGGPVONR-KRWDZBQOSA-N 2 1 366.303 3.148 20 30 FGEDMP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079330 731226574 /nfs/dbraw/zinc/22/65/74/731226574.db2.gz IOIKAZUGEXJCOY-GDBMZVCRSA-N 2 1 354.420 3.388 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000876890820 736158457 /nfs/dbraw/zinc/15/84/57/736158457.db2.gz JYWLWERPSDKGQK-ULQDDVLXSA-N 2 1 371.859 3.075 20 30 FGEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000876890820 736158460 /nfs/dbraw/zinc/15/84/60/736158460.db2.gz JYWLWERPSDKGQK-ULQDDVLXSA-N 2 1 371.859 3.075 20 30 FGEDMP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001045938511 766576257 /nfs/dbraw/zinc/57/62/57/766576257.db2.gz DJHPJTFHVQURQA-NSHGMRRFSA-N 2 1 367.965 3.174 20 30 FGEDMP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938511 766576264 /nfs/dbraw/zinc/57/62/64/766576264.db2.gz DJHPJTFHVQURQA-NSHGMRRFSA-N 2 1 367.965 3.174 20 30 FGEDMP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001045938511 766576267 /nfs/dbraw/zinc/57/62/67/766576267.db2.gz DJHPJTFHVQURQA-NSHGMRRFSA-N 2 1 367.965 3.174 20 30 FGEDMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574183236 505714780 /nfs/dbraw/zinc/71/47/80/505714780.db2.gz WAOAHIKLULXJFP-CEXWTWQISA-N 2 1 354.542 3.483 20 30 FGEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000574183236 505714784 /nfs/dbraw/zinc/71/47/84/505714784.db2.gz WAOAHIKLULXJFP-CEXWTWQISA-N 2 1 354.542 3.483 20 30 FGEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000057175307 494667380 /nfs/dbraw/zinc/66/73/80/494667380.db2.gz NFVAVPFSFGDOQM-UHFFFAOYSA-N 2 1 364.493 3.339 20 30 FGEDMP C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766580 495718891 /nfs/dbraw/zinc/71/88/91/495718891.db2.gz JHXXREMSGWJFMC-FUHWJXTLSA-N 2 1 354.498 3.129 20 30 FGEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000151144785 495752296 /nfs/dbraw/zinc/75/22/96/495752296.db2.gz ITRSOTXQOUABHI-SFHVURJKSA-N 2 1 368.525 3.473 20 30 FGEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000151144785 495752298 /nfs/dbraw/zinc/75/22/98/495752298.db2.gz ITRSOTXQOUABHI-SFHVURJKSA-N 2 1 368.525 3.473 20 30 FGEDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)cc1 ZINC000183148808 495855044 /nfs/dbraw/zinc/85/50/44/495855044.db2.gz RACREHOYDVTCED-OAHLLOKOSA-N 2 1 359.433 3.342 20 30 FGEDMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180204104 495904367 /nfs/dbraw/zinc/90/43/67/495904367.db2.gz FOYXYBGCYQAOCM-LJQANCHMSA-N 2 1 363.509 3.267 20 30 FGEDMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180204104 495904373 /nfs/dbraw/zinc/90/43/73/495904373.db2.gz FOYXYBGCYQAOCM-LJQANCHMSA-N 2 1 363.509 3.267 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)s2)[C@@H](c2ccccc2)C1 ZINC000247347170 496842045 /nfs/dbraw/zinc/84/20/45/496842045.db2.gz OPCVGGDIELZENL-HXUWFJFHSA-N 2 1 354.523 3.088 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000248594756 497051123 /nfs/dbraw/zinc/05/11/23/497051123.db2.gz SITCOVZQMMCRHO-ZOBUZTSGSA-N 2 1 372.513 3.338 20 30 FGEDMP Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000248594756 497051126 /nfs/dbraw/zinc/05/11/26/497051126.db2.gz SITCOVZQMMCRHO-ZOBUZTSGSA-N 2 1 372.513 3.338 20 30 FGEDMP N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278934752 497272478 /nfs/dbraw/zinc/27/24/78/497272478.db2.gz TVLVHAUHYXULNK-FQEVSTJZSA-N 2 1 350.466 3.004 20 30 FGEDMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000277298624 497797857 /nfs/dbraw/zinc/79/78/57/497797857.db2.gz UBXHFWPAMRTSDP-HNNXBMFYSA-N 2 1 374.554 3.243 20 30 FGEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000277298624 497797860 /nfs/dbraw/zinc/79/78/60/497797860.db2.gz UBXHFWPAMRTSDP-HNNXBMFYSA-N 2 1 374.554 3.243 20 30 FGEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000330297414 498096041 /nfs/dbraw/zinc/09/60/41/498096041.db2.gz KVNGEGROQWYJDE-CQSZACIVSA-N 2 1 372.517 3.038 20 30 FGEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000330297414 498096047 /nfs/dbraw/zinc/09/60/47/498096047.db2.gz KVNGEGROQWYJDE-CQSZACIVSA-N 2 1 372.517 3.038 20 30 FGEDMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328940395 498993613 /nfs/dbraw/zinc/99/36/13/498993613.db2.gz KSHSEKPOUOZRSC-AABGKKOBSA-N 2 1 363.546 3.118 20 30 FGEDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(C#N)cc43)cc2)CC1 ZINC000576317115 506128595 /nfs/dbraw/zinc/12/85/95/506128595.db2.gz RCQGDTLWPZRMGZ-XMMPIXPASA-N 2 1 374.532 3.473 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468240 499330617 /nfs/dbraw/zinc/33/06/17/499330617.db2.gz AJDHQTBUDCOANN-HLAWJBBLSA-N 2 1 357.498 3.053 20 30 FGEDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCCCC#N)c1 ZINC000371468240 499330619 /nfs/dbraw/zinc/33/06/19/499330619.db2.gz AJDHQTBUDCOANN-HLAWJBBLSA-N 2 1 357.498 3.053 20 30 FGEDMP CC(C)c1nccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257799 499384089 /nfs/dbraw/zinc/38/40/89/499384089.db2.gz JLYQKXPIRQZDKV-SFHVURJKSA-N 2 1 351.454 3.154 20 30 FGEDMP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000570417207 506163917 /nfs/dbraw/zinc/16/39/17/506163917.db2.gz UBUJVSCLPAEDLY-RTBURBONSA-N 2 1 374.554 3.029 20 30 FGEDMP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423012653 500331165 /nfs/dbraw/zinc/33/11/65/500331165.db2.gz DKFKAINLHIPDEG-YTFSRNRJSA-N 2 1 361.489 3.472 20 30 FGEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501071110 502928288 /nfs/dbraw/zinc/92/82/88/502928288.db2.gz UYCTZCDOGHKKEP-SFHVURJKSA-N 2 1 358.530 3.043 20 30 FGEDMP C=CCSc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517743461 503823616 /nfs/dbraw/zinc/82/36/16/503823616.db2.gz ZBGBNMYPZPFZTG-KRWDZBQOSA-N 2 1 359.539 3.225 20 30 FGEDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)C1 ZINC000600716353 507078102 /nfs/dbraw/zinc/07/81/02/507078102.db2.gz KPKDVSVCBLCXTK-LVCYWYKZSA-N 2 1 355.526 3.309 20 30 FGEDMP C[C@H](NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1)c1ccc(Cl)cc1Cl ZINC000262475804 713726222 /nfs/dbraw/zinc/72/62/22/713726222.db2.gz PSJKNLLJPAOUNI-CMPLNLGQSA-N 2 1 352.269 3.170 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000820809798 729033246 /nfs/dbraw/zinc/03/32/46/729033246.db2.gz ILUMABYUIFNUHY-FUHWJXTLSA-N 2 1 351.535 3.405 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000865453682 733204275 /nfs/dbraw/zinc/20/42/75/733204275.db2.gz HWFFJLBFEGFOGJ-HNNXBMFYSA-N 2 1 361.477 3.165 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3csc(C#N)c3)C2)ccn1 ZINC000895501619 742420114 /nfs/dbraw/zinc/42/01/14/742420114.db2.gz ZIOWVKZYDUCLRY-GOSISDBHSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(C#N)c3)C2)ccn1 ZINC000895501619 742420116 /nfs/dbraw/zinc/42/01/16/742420116.db2.gz ZIOWVKZYDUCLRY-GOSISDBHSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3csc(C#N)c3)C2)ccn1 ZINC000895501619 742420118 /nfs/dbraw/zinc/42/01/18/742420118.db2.gz ZIOWVKZYDUCLRY-GOSISDBHSA-N 2 1 356.495 3.120 20 30 FGEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3csc(C#N)c3)C2)ccn1 ZINC000895501619 742420121 /nfs/dbraw/zinc/42/01/21/742420121.db2.gz ZIOWVKZYDUCLRY-GOSISDBHSA-N 2 1 356.495 3.120 20 30 FGEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901254062 743243200 /nfs/dbraw/zinc/24/32/00/743243200.db2.gz BBENRSQQFLIKEM-MAUKXSAKSA-N 2 1 367.896 3.096 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000921702046 758773740 /nfs/dbraw/zinc/77/37/40/758773740.db2.gz GIMNHNSUIDFRMH-WMZOPIPTSA-N 2 1 351.535 3.310 20 30 FGEDMP C=C(Cl)C[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001039133837 766292056 /nfs/dbraw/zinc/29/20/56/766292056.db2.gz WLCKIWADGBTZEF-CEXWTWQISA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133837 766292065 /nfs/dbraw/zinc/29/20/65/766292065.db2.gz WLCKIWADGBTZEF-CEXWTWQISA-N 2 1 367.965 3.030 20 30 FGEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001039133837 766292070 /nfs/dbraw/zinc/29/20/70/766292070.db2.gz WLCKIWADGBTZEF-CEXWTWQISA-N 2 1 367.965 3.030 20 30 FGEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713576 494055470 /nfs/dbraw/zinc/05/54/70/494055470.db2.gz AEHLNJXZTNKNTL-SFHVURJKSA-N 2 1 368.525 3.473 20 30 FGEDMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1OCCCC#N ZINC000093537684 494899003 /nfs/dbraw/zinc/89/90/03/494899003.db2.gz AWBBGEHZRPWOHM-VAMGGRTRSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1OCCCC#N ZINC000093537684 494899005 /nfs/dbraw/zinc/89/90/05/494899005.db2.gz AWBBGEHZRPWOHM-VAMGGRTRSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1OCCCC#N ZINC000093537684 494899008 /nfs/dbraw/zinc/89/90/08/494899008.db2.gz AWBBGEHZRPWOHM-VAMGGRTRSA-N 2 1 369.509 3.294 20 30 FGEDMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1OCCCC#N ZINC000093537684 494899010 /nfs/dbraw/zinc/89/90/10/494899010.db2.gz AWBBGEHZRPWOHM-VAMGGRTRSA-N 2 1 369.509 3.294 20 30 FGEDMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000109787476 494918322 /nfs/dbraw/zinc/91/83/22/494918322.db2.gz VHPDLKUUNJPTMI-UHFFFAOYSA-N 2 1 362.905 3.346 20 30 FGEDMP C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@@H]1CCCC[NH+]1C ZINC000173638208 495627107 /nfs/dbraw/zinc/62/71/07/495627107.db2.gz FBMLZUFPLIJQSH-HNNXBMFYSA-N 2 1 374.554 3.243 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@@H]1CCCC[N@@H+]1C ZINC000173638208 495627112 /nfs/dbraw/zinc/62/71/12/495627112.db2.gz FBMLZUFPLIJQSH-HNNXBMFYSA-N 2 1 374.554 3.243 20 30 FGEDMP C[NH+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC[C@@H]1CCCC[N@H+]1C ZINC000173638208 495627115 /nfs/dbraw/zinc/62/71/15/495627115.db2.gz FBMLZUFPLIJQSH-HNNXBMFYSA-N 2 1 374.554 3.243 20 30 FGEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000577859019 505807112 /nfs/dbraw/zinc/80/71/12/505807112.db2.gz IAPUGJONGFNTQA-MRXNPFEDSA-N 2 1 372.431 3.075 20 30 FGEDMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000577879973 505811184 /nfs/dbraw/zinc/81/11/84/505811184.db2.gz YWFQDDKGPUXDTB-OAHLLOKOSA-N 2 1 356.445 3.274 20 30 FGEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CC2 ZINC000574611981 505813694 /nfs/dbraw/zinc/81/36/94/505813694.db2.gz RFGBGHPOHKNAFB-FYYLOGMGSA-N 2 1 361.489 3.292 20 30 FGEDMP C=C(C)COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1OC ZINC000268953799 496833484 /nfs/dbraw/zinc/83/34/84/496833484.db2.gz FQNHHWKALZVCIE-PMACEKPBSA-N 2 1 374.525 3.118 20 30 FGEDMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278835434 497236454 /nfs/dbraw/zinc/23/64/54/497236454.db2.gz AIQMEZFQTDGYJB-GOSISDBHSA-N 2 1 366.513 3.022 20 30 FGEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000278835434 497236459 /nfs/dbraw/zinc/23/64/59/497236459.db2.gz AIQMEZFQTDGYJB-GOSISDBHSA-N 2 1 366.513 3.022 20 30 FGEDMP N#Cc1cccc(NC(=O)C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000275437148 497326548 /nfs/dbraw/zinc/32/65/48/497326548.db2.gz ILNJPZWQWHHERZ-UHFFFAOYSA-N 2 1 354.498 3.085 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675167 498168139 /nfs/dbraw/zinc/16/81/39/498168139.db2.gz ULOXFQZPDHHFTL-DHIUTWEWSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675167 498168147 /nfs/dbraw/zinc/16/81/47/498168147.db2.gz ULOXFQZPDHHFTL-DHIUTWEWSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285675167 498168141 /nfs/dbraw/zinc/16/81/41/498168141.db2.gz ULOXFQZPDHHFTL-DHIUTWEWSA-N 2 1 361.489 3.190 20 30 FGEDMP N#Cc1ccc([C@H](O)C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285675167 498168153 /nfs/dbraw/zinc/16/81/53/498168153.db2.gz ULOXFQZPDHHFTL-DHIUTWEWSA-N 2 1 361.489 3.190 20 30 FGEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438357 499121642 /nfs/dbraw/zinc/12/16/42/499121642.db2.gz APWWJQIWNZUPME-IAGOWNOFSA-N 2 1 372.513 3.206 20 30 FGEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000372336426 499422083 /nfs/dbraw/zinc/42/20/83/499422083.db2.gz GNODZAFBXYHPJO-QFUCXCTJSA-N 2 1 355.526 3.467 20 30 FGEDMP C=CCOc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000415052341 499858576 /nfs/dbraw/zinc/85/85/76/499858576.db2.gz KRONMJYSQQLFPC-UHFFFAOYSA-N 2 1 363.933 3.211 20 30 FGEDMP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000423577951 500386133 /nfs/dbraw/zinc/38/61/33/500386133.db2.gz TVHIDFLADJSRAO-QGZVFWFLSA-N 2 1 366.484 3.341 20 30 FGEDMP C=CCOc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428432392 500509533 /nfs/dbraw/zinc/50/95/33/500509533.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 1 366.505 3.320 20 30 FGEDMP C=CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000428432392 500509535 /nfs/dbraw/zinc/50/95/35/500509535.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 1 366.505 3.320 20 30 FGEDMP C=CCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000428432392 500509537 /nfs/dbraw/zinc/50/95/37/500509537.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 1 366.505 3.320 20 30 FGEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)C(C)C ZINC000448462148 500761975 /nfs/dbraw/zinc/76/19/75/500761975.db2.gz QXCCCJHOYNKWAE-SLFFLAALSA-N 2 1 364.578 3.057 20 30 FGEDMP C=C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000489489534 502971204 /nfs/dbraw/zinc/97/12/04/502971204.db2.gz ZVJVKPJKLYJNQA-OAQYLSRUSA-N 2 1 355.526 3.116 20 30 FGEDMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000489489534 502971208 /nfs/dbraw/zinc/97/12/08/502971208.db2.gz ZVJVKPJKLYJNQA-OAQYLSRUSA-N 2 1 355.526 3.116 20 30 FGEDMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000511616594 503355605 /nfs/dbraw/zinc/35/56/05/503355605.db2.gz NWKCOIZVKHBWLA-UHFFFAOYSA-N 2 1 370.541 3.005 20 30 FGEDMP C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000533295903 503795404 /nfs/dbraw/zinc/79/54/04/503795404.db2.gz NDKHOHANLKFGBS-SJORKVTESA-N 2 1 374.554 3.150 20 30 FGEDMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(C#N)cc2F)[C@@H](c2ccccc2)C1 ZINC000533312209 503803513 /nfs/dbraw/zinc/80/35/13/503803513.db2.gz DGUHWIVNXDNZDQ-JOCHJYFZSA-N 2 1 366.484 3.166 20 30 FGEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1)CC(C)C ZINC000537994561 504106192 /nfs/dbraw/zinc/10/61/92/504106192.db2.gz GJDVCWSVONPUHU-OAQYLSRUSA-N 2 1 364.578 3.121 20 30 FGEDMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000539497933 504590221 /nfs/dbraw/zinc/59/02/21/504590221.db2.gz AAYSVGFMNOTMOB-QFBILLFUSA-N 2 1 354.523 3.259 20 30 FGEDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(F)c3C#N)CC2)oc1C ZINC000602006347 507550558 /nfs/dbraw/zinc/55/05/58/507550558.db2.gz JZHVXBPHPQZWQS-UHFFFAOYSA-N 2 1 356.445 3.304 20 30 FGEDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC3(C#N)CCOCC3)CC2)oc1C ZINC000602539283 507742548 /nfs/dbraw/zinc/74/25/48/507742548.db2.gz IPAXJBHMJBRADC-MRXNPFEDSA-N 2 1 374.529 3.192 20 30 FGEDMP